#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 0.00 3.77 0.46 0.00 -1.26 -5.15 105.19 103.00 1t8d n GLY 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.57 0.08 1.61 0.40 -1.26 -5.01 117.98 116.37 1t8d s PHE 3 Ca 0.00 1.56 0.00 0.00 -0.60 0.00 0.00 56.93 57.89 1t8d s PHE 3 Cb 0.00 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.40 1t8d s PHE 3 CO 0.00 -1.77 0.00 1.33 0.70 0.00 0.00 175.22 175.48 1t8d n VAL 4 N -2.92 0.51 -2.67 -0.44 0.24 -1.26 -5.02 118.33 106.77 1t8d n VAL 4 Ca 0.10 0.17 -0.20 0.00 -2.04 0.00 0.00 64.34 62.37 1t8d n VAL 4 Cb 0.52 -1.08 0.01 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.17 -3.15 -0.03 0.00 0.23 -1.23 -4.92 115.26 103.99 1t8d n ASN 6 Ca -0.18 -2.72 -0.10 0.00 -0.53 0.00 0.00 54.58 51.05 1t8d n ASN 6 Cb 0.65 1.64 -0.14 0.00 -2.08 0.00 0.00 39.78 39.84 1t8d n ASN 6 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1t8d n THR 7 N 2.74 1.60 -2.45 5.53 5.66 -1.26 -4.82 114.28 121.28 1t8d n THR 7 Ca 0.16 -0.78 -0.43 0.00 -3.05 0.00 0.00 64.05 59.95 1t8d n THR 7 Cb 0.58 -1.05 -0.02 0.00 -1.55 0.00 0.00 70.33 68.29 1t8d n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1t8d n PRO 9 N 8.10 0.00 0.00 0.00 -0.04 -1.26 -4.82 135.00 136.98 1t8d n PRO 9 Ca 0.14 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1t8d n PRO 9 Cb 0.49 -0.27 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 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 -1.37 0.00 0.02 0.54 0.00 -1.26 -4.85 120.64 113.72 1t8d n GLU 10 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 1t8d n GLU 10 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 1t8d n GLU 10 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1t8d h LYS 11 N 0.00 -0.16 -6.03 3.44 1.57 -1.96 -3.42 116.57 110.01 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 0.04 0.08 0.00 0.08 0.00 0.00 32.23 32.43 1t8d h LYS 11 CO 0.00 -0.11 -0.20 0.91 -0.57 0.00 0.00 179.45 179.48 1t8d n TRP 12 N -3.22 0.16 -4.20 -1.35 8.01 -1.26 -4.47 117.44 111.12 1t8d n TRP 12 Ca -0.02 0.98 -0.23 0.00 -1.31 0.00 0.00 57.50 56.92 1t8d n TRP 12 Cb 0.10 -2.05 -0.17 0.00 -2.01 0.00 0.00 31.31 27.19 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 -0.51 0.81 0.11 -0.99 1.01 0.35 -4.06 121.20 117.92 1t8d s ILE 13 Ca 0.76 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.20 1t8d s ILE 13 Cb -1.06 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1t8d s ILE 13 CO 0.56 0.30 0.12 0.21 0.00 0.00 0.00 174.94 176.13 1t8d s ASN 14 N 1.12 5.62 0.00 3.58 3.84 -1.26 0.90 114.94 128.74 1t8d s ASN 14 Ca -0.07 -0.02 0.00 0.00 0.21 0.00 0.00 52.86 52.98 1t8d s ASN 14 Cb -0.14 -1.52 0.00 0.00 -0.55 0.00 0.00 41.25 39.04 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 0.14 0.00 -0.21 0.43 3.72 0.13 -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 0.11 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 0.13 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 0.08 0.00 2.89 -0.95 0.00 0.00 178.83 180.85 1t8d n ARG 17 N -5.27 0.00 -4.29 1.46 0.00 -1.26 -5.12 116.66 102.19 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 0.36 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.74 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 2.20 0.20 2.89 -2.85 -1.26 -1.92 119.74 119.00 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 -2.18 -0.05 0.00 -2.06 0.00 0.00 37.83 33.54 1t8d s LYS 18 CO 0.00 0.40 -0.06 0.00 0.10 0.00 0.00 175.35 175.79 1t8d s TYR 20 N -3.30 1.83 -0.21 0.00 1.51 0.26 -1.47 117.35 115.98 1t8d s TYR 20 Ca 0.23 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1t8d s TYR 20 Cb 0.04 -0.94 0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1t8d s TYR 20 CO 0.06 0.30 -0.12 0.71 -1.11 0.00 0.00 175.55 175.39 1t8d s TYR 21 N -1.76 2.89 -0.41 2.71 2.02 0.62 -0.49 117.35 122.92 1t8d s TYR 21 Ca 0.13 -1.34 0.09 0.00 -0.37 0.00 0.00 57.07 55.58 1t8d s TYR 21 Cb -0.07 -2.01 0.42 0.00 -0.40 0.00 0.00 41.96 39.90 1t8d s TYR 21 CO 0.06 -0.69 1.03 1.19 -1.57 0.00 0.00 175.55 175.57 1t8d n PHE 22 N 4.70 2.63 -2.19 2.71 3.72 -1.26 -1.62 117.46 126.15 1t8d n PHE 22 Ca -0.19 -3.13 -0.27 0.00 -0.05 0.00 0.00 57.45 53.80 1t8d n PHE 22 Cb 0.50 -0.22 0.14 0.00 -0.94 0.00 0.00 39.48 38.95 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 -3.35 1.75 -0.05 1.37 0.00 -0.36 -4.67 107.32 102.01 1t8d s GLY 23 Ca 0.41 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.87 1t8d s GLY 23 CO -0.11 -0.67 -0.18 -1.59 0.00 0.00 0.00 173.10 170.55 1t8d s LYS 24 N -5.53 2.51 0.00 2.90 -2.85 -1.26 -0.12 119.74 115.39 1t8d s LYS 24 Ca 0.69 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 1t8d s LYS 24 Cb -0.06 -2.31 0.00 0.00 -2.06 0.00 0.00 37.83 33.40 1t8d s LYS 24 CO 0.49 0.55 0.00 0.41 0.10 0.00 0.00 175.35 176.89 1t8d n GLY 25 N 2.52 0.12 1.93 0.59 0.00 -1.08 -4.76 105.19 104.51 1t8d n GLY 25 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.29-10.37 0.00 2.61 -1.04 -1.16 -4.94 114.28 98.09 1t8d n THR 26 Ca 0.00 2.34 0.00 0.00 -2.04 0.00 0.00 64.05 64.35 1t8d n THR 26 Cb 0.00 -5.16 0.00 0.00 -1.82 0.00 0.00 70.33 63.35 1t8d n THR 26 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1t8d n LYS 27 N 1.34 0.00 -3.04 -2.82 4.76 -1.26 -5.01 118.16 112.13 1t8d n LYS 27 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 1t8d n LYS 27 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 1t8d n LYS 27 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1t8d n GLN 28 N 0.00 0.81 0.04 1.97 6.02 -1.26 -4.98 117.38 119.98 1t8d n GLN 28 Ca 0.00 -1.65 -0.13 0.00 -0.01 0.00 0.00 57.00 55.21 1t8d n GLN 28 Cb 0.00 2.03 -0.08 0.00 1.02 0.00 0.00 30.24 33.21 1t8d n GLN 28 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 1t8d h TRP 29 N 1.72 -0.05 -0.58 1.08 7.01 -1.98 -2.67 115.95 120.49 1t8d h TRP 29 Ca -0.24 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 60.90 1t8d h TRP 29 Cb 0.90 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.95 1t8d h TRP 29 CO 0.00 0.17 0.40 -0.39 -2.79 0.00 0.00 178.44 175.83 1t8d h VAL 30 N -0.26 0.77 0.00 2.65 -1.51 -1.98 0.37 116.25 116.29 1t8d h VAL 30 Ca -0.01 -0.05 -0.10 0.00 -1.23 0.00 0.00 66.70 65.32 1t8d h VAL 30 Cb 0.23 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1t8d h VAL 30 CO 0.01 0.03 -0.47 -0.74 -1.23 0.00 0.00 177.57 175.16 1t8d h HIS 31 N 0.14 0.00 -0.01 5.19 2.76 -1.89 -2.41 115.15 118.92 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 0.90 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.86 1t8d h HIS 31 CO -0.00 0.47 -0.02 0.00 -1.30 0.00 0.00 177.93 177.08 1t8d h ALA 32 N 1.53 0.02 -0.79 5.26 0.00 0.03 -1.64 119.26 123.67 1t8d h ALA 32 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1t8d h ALA 32 Cb 0.95 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1t8d h ALA 32 CO 0.06 -0.19 0.47 0.07 0.00 0.00 0.00 179.25 179.66 1t8d h ARG 33 N -0.49 1.07 -0.25 0.00 0.11 -1.46 -0.51 114.38 112.86 1t8d h ARG 33 Ca 0.00 -0.10 -0.06 0.00 0.10 0.00 0.00 59.98 59.92 1t8d h ARG 33 Cb 0.57 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 1t8d h ARG 33 CO 0.01 0.75 -0.12 1.88 0.10 0.00 0.00 179.97 182.59 1t8d h TYR 34 N 1.09 0.43 -0.38 4.08 0.05 -1.42 -1.89 116.97 118.94 1t8d h TYR 34 Ca 0.28 -0.06 -0.11 0.00 0.05 0.00 0.00 58.73 58.89 1t8d h TYR 34 Cb -0.04 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 1t8d h TYR 34 CO 0.00 0.52 -0.23 0.00 -1.05 0.00 0.00 178.16 177.41 1t8d h ALA 35 N 1.50 0.89 -0.12 3.88 0.00 -0.14 -2.67 119.26 122.59 1t8d h ALA 35 Ca 0.07 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1t8d h ALA 35 Cb 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1t8d h ALA 35 CO 0.03 0.63 -0.00 0.00 0.00 0.00 0.00 179.25 179.90 1t8d h ASP 37 N 0.04 0.56 0.90 0.00 1.82 -1.27 0.61 116.42 119.07 1t8d h ASP 37 Ca 0.06 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 1t8d h ASP 37 Cb 0.07 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 1t8d h ASP 37 CO -0.10 0.34 -0.25 0.44 -1.61 0.00 0.00 179.24 178.06 1t8d h ASP 38 N 0.62 0.00 0.01 2.28 5.19 -0.94 -2.63 116.42 120.94 1t8d h ASP 38 Ca 0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 1t8d h ASP 38 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1t8d h ASP 38 CO -0.11 0.25 -0.61 0.23 -3.12 0.00 0.00 179.24 175.88 1t8d n MET 39 N -3.42 0.86 -2.92 3.56 2.81 0.52 -4.98 117.12 113.55 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 0.44 -1.49 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 -0.45 -4.17 0.00 0.03 1.02 0.18 -4.93 120.64 112.32 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 0.43 -4.56 0.00 0.00 -0.02 0.00 0.00 31.44 27.29 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 -1.13 3.81 3.44 0.62 0.00 -0.46 -4.60 105.19 106.87 1t8d n GLY 41 Ca -0.15 -0.43 -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 3.61 1.26 -0.37 1.61 0.74 0.27 -4.74 119.66 122.03 1t8d s GLN 42 Ca 0.00 -0.47 -0.29 0.00 0.05 0.00 0.00 55.36 54.65 1t8d s GLN 42 Cb 0.00 0.57 0.01 0.00 1.10 0.00 0.00 33.01 34.69 1t8d s GLN 42 CO 0.00 -0.55 1.33 -1.17 -0.55 0.00 0.00 175.29 174.35 1t8d s LEU 43 N -2.73 3.71 0.00 3.68 2.96 -1.26 0.18 118.68 125.22 1t8d s LEU 43 Ca 0.02 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 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 -1.26 0.00 1.33 -1.32 0.00 0.00 176.35 174.98 1t8d n VAL 44 N 6.69 0.00 -2.90 1.68 0.24 -1.25 -3.05 118.33 119.74 1t8d n VAL 44 Ca 0.15 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.34 1t8d n VAL 44 Cb 0.48 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 -0.22 -3.51 -4.61 -1.34 2.88 -1.26 -4.65 113.62 100.92 1t8d n SER 45 Ca 0.00 -0.47 -0.44 0.00 -1.33 0.00 0.00 58.87 56.63 1t8d n SER 45 Cb 0.00 -3.84 -0.01 0.00 -0.75 0.00 0.00 64.21 59.61 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 -3.01 1.98 -0.38 2.46 -0.00 -1.26 -4.86 119.36 114.29 1t8d n ILE 46 Ca -0.14 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.12 1t8d n ILE 46 Cb 0.61 -1.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.16 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 0.25 0.00 -4.28 4.28 1.44 -1.26 -4.92 115.22 110.74 1t8d n HIS 47 Ca 0.09 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.47 1t8d n HIS 47 Cb 0.32 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.27 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 -0.12 3.08 0.57 4.39 0.15 -1.26 -4.89 113.70 115.61 1t8d s SER 48 Ca 0.00 -0.62 0.35 0.00 0.70 0.00 0.00 55.95 56.38 1t8d s SER 48 Cb 0.00 -1.44 1.46 0.00 -1.71 0.00 0.00 66.02 64.33 1t8d s SER 48 CO 0.00 0.02 1.70 -0.65 1.20 0.00 0.00 173.24 175.51 1t8d h PRO 49 N 7.76 0.00 -0.07 5.44 0.11 -1.99 0.52 132.00 143.77 1t8d h PRO 49 Ca -0.41 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 1t8d h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1t8d h PRO 49 CO 0.60 0.00 -0.27 1.49 -0.21 0.00 0.00 178.00 179.62 1t8d h GLU 50 N 0.00 0.30 -0.25 1.05 4.81 -1.98 -1.89 114.58 116.63 1t8d h GLU 50 Ca 0.53 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1t8d h GLU 50 Cb 2.37 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.79 1t8d h GLU 50 CO -0.01 0.87 0.11 0.93 -0.73 0.00 0.00 179.01 180.18 1t8d h GLU 51 N -0.20 0.37 -0.97 1.92 4.39 -0.44 0.67 114.58 120.31 1t8d h GLU 51 Ca -0.01 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1t8d h GLU 51 Cb 0.91 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 1t8d h GLU 51 CO 0.06 0.40 0.64 -0.56 -1.16 0.00 0.00 179.01 178.39 1t8d h GLN 52 N 0.26 1.28 -0.19 2.33 -0.00 -1.24 -0.90 115.11 116.66 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 0.16 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.48 27.35 1t8d h GLN 52 CO -0.01 0.85 -0.45 0.22 -0.00 0.00 0.00 178.83 179.44 1t8d h ASP 53 N 1.32 0.49 0.07 0.06 3.58 -0.97 0.46 116.42 121.42 1t8d h ASP 53 Ca 0.36 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1t8d h ASP 53 Cb -0.15 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.76 1t8d h ASP 53 CO -0.08 0.87 -0.05 -0.26 -2.88 0.00 0.00 179.24 176.85 1t8d h PHE 54 N 0.37 -0.12 -0.08 0.28 0.04 0.16 0.28 116.94 117.88 1t8d h PHE 54 Ca 0.03 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.62 1t8d h PHE 54 Cb 0.93 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 1t8d h PHE 54 CO 0.03 -0.08 -0.72 1.37 -0.60 0.00 0.00 178.31 178.32 1t8d h LEU 55 N -0.12 0.45 -1.02 1.54 8.10 -1.21 -1.68 115.31 121.36 1t8d h LEU 55 Ca -0.00 -0.29 0.00 0.00 0.11 0.00 0.00 57.88 57.70 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 -0.00 1.02 0.62 0.74 -4.11 0.00 0.00 178.44 176.71 1t8d h THR 56 N 0.26 1.25 -0.07 0.15 2.02 -0.57 0.44 112.91 116.39 1t8d h THR 56 Ca -0.03 -0.49 -0.19 0.00 0.77 0.00 0.00 66.41 66.48 1t8d h THR 56 Cb 1.28 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1t8d h THR 56 CO 0.12 0.25 -0.76 0.50 0.37 0.00 0.00 175.52 176.00 1t8d h LYS 57 N 1.31 0.42 0.00 6.66 1.63 -0.35 -2.94 116.57 123.31 1t8d h LYS 57 Ca 0.35 -0.36 -0.07 0.00 -0.85 0.00 0.00 60.65 59.72 1t8d h LYS 57 Cb -0.12 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1t8d h LYS 57 CO -0.07 1.00 -0.32 1.25 -3.45 0.00 0.00 179.45 177.86 1t8d h HIS 58 N 0.28 0.00 -3.75 1.91 2.76 -0.30 -3.36 115.15 112.70 1t8d h HIS 58 Ca -0.04 0.00 -0.77 0.00 -2.20 0.00 0.00 60.37 57.36 1t8d h HIS 58 Cb 1.34 0.00 -0.28 0.00 1.55 0.00 0.00 27.41 30.03 1t8d h HIS 58 CO 0.05 0.32 0.06 0.00 -1.30 0.00 0.00 177.93 177.05 1t8d s ALA 59 N -3.97 4.08 -0.18 5.26 0.00 0.14 -4.84 121.76 122.25 1t8d s ALA 59 Ca -0.02 -3.39 -0.17 0.00 0.00 0.00 0.00 51.96 48.38 1t8d s ALA 59 Cb 0.13 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1t8d s ALA 59 CO 0.68 -2.24 -0.33 0.43 0.00 0.00 0.00 175.76 174.29 1t8d n SER 60 N 3.71 1.93 0.26 0.00 7.64 -1.26 -4.47 113.62 121.44 1t8d n SER 60 Ca 0.14 0.35 0.16 0.00 1.01 0.00 0.00 58.87 60.53 1t8d n SER 60 Cb 0.45 -0.76 0.88 0.00 -1.01 0.00 0.00 64.21 63.76 1t8d n SER 60 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1t8d h HIS 61 N -1.00 0.00 -3.94 1.43 2.07 -1.95 -3.45 115.15 108.31 1t8d h HIS 61 Ca -0.05 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.20 1t8d h HIS 61 Cb 1.01 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.93 1t8d h HIS 61 CO -0.39 0.00 -0.14 0.25 -3.07 0.00 0.00 177.93 174.59 1t8d n THR 62 N -3.85 0.00 -2.22 6.12 -2.24 -1.26 -4.94 114.28 105.89 1t8d n THR 62 Ca -0.01 -1.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 1t8d n THR 62 Cb 0.17 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1t8d n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t8d n GLY 63 N -0.56 1.02 3.14 3.38 0.00 -1.26 -4.59 105.19 106.32 1t8d n GLY 63 Ca 0.00 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.00 1.03 -0.14 1.61 1.04 -1.09 -3.59 113.70 111.56 1t8d s SER 64 Ca 0.00 -0.88 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 1t8d s SER 64 Cb 0.00 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 1t8d s SER 64 CO 0.00 -0.40 0.00 0.26 0.98 0.00 0.00 173.24 174.08 1t8d s TRP 65 N -3.04 3.13 0.36 5.02 0.51 -1.22 -2.20 118.94 121.50 1t8d s TRP 65 Ca 0.06 -0.06 0.08 0.00 -2.12 0.00 0.00 56.10 54.06 1t8d s TRP 65 Cb 0.01 -1.95 -0.05 0.00 -0.81 0.00 0.00 33.47 30.67 1t8d s TRP 65 CO -0.04 0.16 0.08 0.96 -0.51 0.00 0.00 176.95 177.60 1t8d s ILE 66 N 0.03 2.57 -0.73 2.03 -4.36 -1.26 -4.16 121.20 115.32 1t8d s ILE 66 Ca 0.03 -1.85 -0.07 0.00 -0.26 0.00 0.00 60.65 58.50 1t8d s ILE 66 Cb -0.13 -2.90 -0.14 0.00 1.25 0.00 0.00 42.46 40.55 1t8d s ILE 66 CO 0.02 -0.13 2.79 0.61 0.24 0.00 0.00 174.94 178.47 1t8d n GLY 67 N -1.07 3.25 3.06 6.27 0.00 -1.17 -4.69 105.19 110.84 1t8d n GLY 67 Ca -0.03 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 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 0.08 1.74 -0.04 0.99 1.98 -1.26 -1.69 118.68 120.47 1t8d s LEU 68 Ca 0.56 -0.41 -0.02 0.00 -2.89 0.00 0.00 54.13 51.37 1t8d s LEU 68 Cb 0.20 -1.06 0.03 0.00 0.66 0.00 0.00 46.19 46.02 1t8d s LEU 68 CO -0.03 0.04 0.05 -0.60 -1.89 0.00 0.00 176.35 173.91 1t8d s ARG 69 N 0.84 0.05 0.00 1.98 3.00 0.14 -3.36 118.95 121.60 1t8d s ARG 69 Ca -0.10 0.31 -0.18 0.00 -1.00 0.00 0.00 55.73 54.76 1t8d s ARG 69 Cb -0.15 -0.56 -0.06 0.00 0.00 0.00 0.00 34.95 34.18 1t8d s ARG 69 CO 0.01 -0.30 0.51 1.21 0.00 0.00 0.00 175.30 176.73 1t8d s ASN 70 N 1.98 6.91 -0.00 -2.12 3.84 0.63 -0.89 114.94 125.30 1t8d s ASN 70 Ca 0.03 1.08 -0.30 0.00 0.21 0.00 0.00 52.86 53.88 1t8d s ASN 70 Cb -0.12 -2.32 -0.06 0.00 -0.55 0.00 0.00 41.25 38.20 1t8d s ASN 70 CO -0.03 0.20 1.45 -0.76 -2.79 0.00 0.00 177.10 175.17 1t8d s LEU 71 N -0.60 4.32 0.00 3.21 1.43 -1.04 -4.51 118.68 121.49 1t8d s LEU 71 Ca 0.27 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1t8d s LEU 71 Cb -0.18 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1t8d s LEU 71 CO 0.15 -0.76 0.00 0.47 0.23 0.00 0.00 176.35 176.44 1t8d n ASP 72 N 5.58 0.00 0.15 2.29 9.92 -1.26 -3.09 116.55 130.14 1t8d n ASP 72 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1t8d n ASP 72 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 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 -2.66 0.00 0.64 -0.00 -1.26 -4.68 117.00 109.04 1t8d n LEU 73 Ca 0.00 0.70 0.04 0.00 -0.00 0.00 0.00 56.01 56.74 1t8d n LEU 73 Cb 0.00 2.64 0.23 0.00 -0.00 0.00 0.00 43.42 46.29 1t8d n LEU 73 CO 0.00 0.15 0.64 0.29 -0.00 0.00 0.00 177.39 178.47 1t8d n LYS 74 N -3.17 0.97 0.00 1.47 5.02 -1.26 -4.74 118.16 116.44 1t8d n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1t8d n LYS 74 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 0.59 0.99 3.55 0.72 0.00 -1.18 -5.09 105.19 104.77 1t8d n GLY 75 Ca 0.06 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 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 0.33 2.00 -0.20 1.61 2.02 -1.26 -4.88 118.70 118.31 1t8d s GLU 76 Ca 0.00 -1.23 -0.29 0.00 0.02 0.00 0.00 54.97 53.47 1t8d s GLU 76 Cb 0.00 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1t8d s GLU 76 CO 0.00 0.45 1.12 -0.06 0.02 0.00 0.00 175.26 176.80 1t8d s PHE 77 N -1.53 3.16 -0.01 1.61 0.40 -1.26 -2.50 117.98 117.85 1t8d s PHE 77 Ca 0.23 1.30 0.08 0.00 -0.60 0.00 0.00 56.93 57.94 1t8d s PHE 77 Cb -0.09 -3.36 -0.02 0.00 0.51 0.00 0.00 43.02 40.06 1t8d s PHE 77 CO 0.14 -0.93 -0.24 0.42 0.70 0.00 0.00 175.22 175.30 1t8d s ILE 78 N 3.27 2.22 0.51 0.64 1.01 -0.06 -2.60 121.20 126.19 1t8d s ILE 78 Ca 0.48 -1.12 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 1t8d s ILE 78 Cb -0.18 -1.81 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 1t8d s ILE 78 CO 0.10 0.53 1.05 0.26 0.00 0.00 0.00 174.94 176.88 1t8d s TRP 79 N -0.68 2.96 0.60 3.97 0.52 -0.02 0.25 118.94 126.54 1t8d s TRP 79 Ca 0.11 1.56 0.31 0.00 0.02 0.00 0.00 56.10 58.10 1t8d s TRP 79 Cb -0.10 -3.08 1.85 0.00 -1.15 0.00 0.00 33.47 30.99 1t8d s TRP 79 CO 0.00 -0.96 2.23 -0.24 0.02 0.00 0.00 176.95 178.00 1t8d h VAL 80 N 1.34 0.44 0.00 4.03 3.04 -1.64 0.27 116.25 123.74 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 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 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 -3.73 0.00 -0.06 3.17 2.03 -1.26 -4.87 116.55 111.82 1t8d n ASP 81 Ca -0.02 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1t8d n ASP 81 Cb 0.14 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.93 0.96 2.91 0.27 0.00 0.95 -5.08 105.19 106.13 1t8d n GLY 82 Ca 0.14 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.64 2.08 0.53 1.61 0.01 -1.22 -4.91 113.70 109.17 1t8d s SER 83 Ca 0.00 -0.29 -0.22 0.00 1.31 0.00 0.00 55.95 56.76 1t8d s SER 83 Cb 0.00 -0.81 -0.06 0.00 0.21 0.00 0.00 66.02 65.36 1t8d s SER 83 CO 0.00 -0.11 1.22 0.00 0.41 0.00 0.00 173.24 174.76 1t8d n HIS 84 N 4.82 1.81 -1.32 2.43 1.44 -1.26 -0.84 115.22 122.29 1t8d n HIS 84 Ca -0.14 0.45 -0.36 0.00 -2.01 0.00 0.00 57.72 55.66 1t8d n HIS 84 Cb 0.50 -2.30 0.07 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 -1.07 2.12 0.00 0.61 0.31 -1.07 -4.81 118.33 114.42 1t8d n VAL 85 Ca 0.11 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1t8d n VAL 85 Cb 0.44 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 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 -0.43 3.57 -0.02 4.52 8.00 -1.26 -4.93 116.55 126.00 1t8d n ASP 86 Ca 0.11 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.58 1t8d n ASP 86 Cb 0.49 0.24 -0.01 0.00 -0.02 0.00 0.00 41.12 41.83 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 -1.88 0.00 -1.48 1.24 4.02 -1.26 -5.15 117.16 112.65 1t8d n TYR 87 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1t8d n TYR 87 Cb 0.39 -0.12 -0.01 0.00 -0.02 0.00 0.00 39.34 39.58 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 -8.00 0.00 7.72 7.64 -1.26 -4.98 113.62 111.74 1t8d n SER 88 Ca -0.06 1.76 0.00 0.00 1.01 0.00 0.00 58.87 61.58 1t8d n SER 88 Cb 0.55 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 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 -2.70 0.19 -4.41 6.43 3.02 -1.26 -5.05 115.26 111.47 1t8d n ASN 89 Ca -0.01 -0.08 -0.48 0.00 -0.03 0.00 0.00 54.58 53.99 1t8d n ASN 89 Cb 0.48 0.19 -0.14 0.00 -0.61 0.00 0.00 39.78 39.70 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 -0.21 0.81 -1.50 3.10 4.27 -1.24 -3.47 117.44 119.19 1t8d n TRP 90 Ca 0.00 0.51 -0.57 0.00 -3.89 0.00 0.00 57.50 53.55 1t8d n TRP 90 Cb 0.00 -2.36 -0.07 0.00 -1.36 0.00 0.00 31.31 27.52 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 9.54 -3.29 0.05 -1.67 0.00 0.17 -4.83 120.51 120.48 1t8d n ALA 91 Ca 0.61 0.58 -0.05 0.00 0.00 0.00 0.00 53.44 54.58 1t8d n ALA 91 Cb 0.02 -1.78 -0.09 0.00 0.00 0.00 0.00 19.45 17.60 1t8d n ALA 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t8d h PRO 92 N 2.96 0.00 0.00 0.00 0.13 -1.91 -3.44 132.00 129.75 1t8d h PRO 92 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1t8d h PRO 92 Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1t8d h PRO 92 CO 0.66 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.53 1t8d n GLY 93 N 1.38 0.75 3.09 1.56 0.00 -1.26 -5.04 105.19 105.67 1t8d n GLY 93 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1t8d n GLY 93 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t8d n GLU 94 N -0.12 -1.78 -0.06 1.61 2.13 -1.26 -4.82 120.64 116.34 1t8d n GLU 94 Ca 0.00 1.65 0.14 0.00 0.66 0.00 0.00 57.16 59.61 1t8d n GLU 94 Cb 0.00 -5.10 0.56 0.00 0.27 0.00 0.00 31.44 27.16 1t8d n GLU 94 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1t8d h PRO 95 N 1.08 0.28 -0.14 5.31 0.11 -2.00 -0.64 132.00 136.00 1t8d h PRO 95 Ca -0.11 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.86 1t8d h PRO 95 Cb 1.07 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1t8d h PRO 95 CO 0.26 0.18 -0.48 1.79 -0.21 0.00 0.00 178.00 179.55 1t8d h THR 96 N 0.29 1.33 -3.96 -1.15 1.35 -2.05 -3.44 112.91 105.27 1t8d h THR 96 Ca 0.27 -1.69 -0.52 0.00 -0.55 0.00 0.00 66.41 63.92 1t8d h THR 96 Cb 0.68 1.75 0.08 0.00 -1.73 0.00 0.00 68.15 68.93 1t8d h THR 96 CO -0.06 0.51 0.57 -0.55 -0.25 0.00 0.00 175.52 175.74 1t8d s SER 97 N -6.88 6.22 0.06 5.36 0.15 -0.25 -4.96 113.70 113.40 1t8d s SER 97 Ca -0.05 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.15 1t8d s SER 97 Cb 0.12 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1t8d s SER 97 CO 0.80 -0.90 0.00 0.54 1.20 0.00 0.00 173.24 174.87 1t8d n ARG 98 N -0.10 0.00 -2.16 5.44 1.74 -1.26 -4.99 116.66 115.33 1t8d n ARG 98 Ca 0.05 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.86 1t8d n ARG 98 Cb 0.45 -0.47 0.11 0.00 -1.02 0.00 0.00 32.46 31.53 1t8d n ARG 98 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1t8d s SER 99 N -5.48 4.20 -0.39 0.55 0.01 -1.26 -5.08 113.70 106.25 1t8d s SER 99 Ca 0.00 0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.56 1t8d s SER 99 Cb 0.00 -0.69 0.13 0.00 0.21 0.00 0.00 66.02 65.67 1t8d s SER 99 CO 0.00 -2.01 0.21 -1.10 0.41 0.00 0.00 173.24 170.75 1t8d s GLN 100 N -5.45 0.93 0.92 12.44 -0.21 -1.26 -5.09 119.66 121.94 1t8d s GLN 100 Ca 0.65 -1.62 -0.13 0.00 0.02 0.00 0.00 55.36 54.28 1t8d s GLN 100 Cb -0.08 -1.90 0.15 0.00 1.00 0.00 0.00 33.01 32.18 1t8d s GLN 100 CO 0.48 -1.15 1.17 0.20 -2.12 0.00 0.00 175.29 173.86 1t8d s GLY 101 N 0.80 1.60 -0.29 3.09 0.00 -1.26 -4.87 107.32 106.39 1t8d s GLY 101 Ca 0.17 -0.66 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1t8d s GLY 101 CO -0.03 -0.06 0.76 -1.83 0.00 0.00 0.00 173.10 171.94 1t8d s GLU 102 N -5.42 0.40 0.00 2.90 -1.05 -1.26 -3.99 118.70 110.30 1t8d s GLU 102 Ca 0.65 0.43 0.00 0.00 -0.15 0.00 0.00 54.97 55.91 1t8d s GLU 102 Cb -0.12 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 1t8d s GLU 102 CO 0.53 -0.72 0.00 -3.47 0.95 0.00 0.00 175.26 172.55 1t8d n ASP 103 N 5.32 0.00 -3.72 0.83 2.03 -1.23 -4.12 116.55 115.66 1t8d n ASP 103 Ca 0.06 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.23 1t8d n ASP 103 Cb 0.55 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.89 4.53 0.40 0.00 1.01 -1.21 -2.63 120.40 121.62 1t8d s VAL 105 Ca -0.10 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1t8d s VAL 105 Cb -0.04 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.33 1t8d s VAL 105 CO 0.04 0.59 0.04 0.00 0.00 0.00 0.00 175.10 175.77 1t8d s MET 106 N -0.71 2.01 -0.08 2.72 0.23 -0.70 -4.00 119.30 118.77 1t8d s MET 106 Ca 0.12 -2.03 0.03 0.00 -1.03 0.00 0.00 55.69 52.78 1t8d s MET 106 Cb -0.12 -1.73 0.00 0.00 -1.53 0.00 0.00 34.83 31.46 1t8d s MET 106 CO 0.02 -0.04 -0.19 1.41 -2.03 0.00 0.00 175.02 174.19 1t8d s MET 107 N -3.74 2.42 0.36 3.16 -2.45 -0.93 0.08 119.30 118.19 1t8d s MET 107 Ca 0.36 -0.68 0.08 0.00 -1.25 0.00 0.00 55.69 54.20 1t8d s MET 107 Cb 0.08 -1.89 -0.03 0.00 1.25 0.00 0.00 34.83 34.23 1t8d s MET 107 CO 0.19 0.13 0.25 0.50 1.05 0.00 0.00 175.02 177.14 1t8d s ARG 108 N 0.43 2.51 0.03 4.11 3.52 -0.90 -2.69 118.95 125.96 1t8d s ARG 108 Ca -0.16 -1.50 0.09 0.00 -0.13 0.00 0.00 55.73 54.03 1t8d s ARG 108 Cb -0.17 -2.30 0.39 0.00 -1.56 0.00 0.00 34.95 31.32 1t8d s ARG 108 CO 0.06 0.01 1.28 0.41 -0.81 0.00 0.00 175.30 176.25 1t8d n GLY 109 N -1.33 -0.78 0.37 8.12 0.00 -1.26 -2.52 105.19 107.79 1t8d n GLY 109 Ca -0.01 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.17 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 0.18 0.00 1.61 0.02 -1.94 -3.45 113.55 109.97 1t8d h SER 110 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1t8d h SER 110 Cb 0.13 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1t8d h SER 110 CO 0.00 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.40 1t8d n GLY 111 N -1.58 1.49 0.00 -3.77 0.00 -1.05 -5.10 105.19 95.18 1t8d n GLY 111 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.89 -4.00 1.61 0.00 -1.26 -4.52 116.66 110.38 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 -0.05 0.00 -0.00 0.00 0.00 32.46 32.41 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 1.10 2.93 -0.08 2.89 0.51 -1.23 -2.12 118.94 122.94 1t8d s TRP 113 Ca 0.00 -0.24 -0.01 0.00 -2.12 0.00 0.00 56.10 53.73 1t8d s TRP 113 Cb 0.00 -1.58 0.03 0.00 -0.81 0.00 0.00 33.47 31.11 1t8d s TRP 113 CO 0.00 0.36 -0.00 -0.80 -0.51 0.00 0.00 176.95 176.00 1t8d s ASN 114 N -3.89 1.70 -0.13 2.95 -0.87 0.11 0.43 114.94 115.24 1t8d s ASN 114 Ca 0.37 -0.14 -0.25 0.00 -1.57 0.00 0.00 52.86 51.27 1t8d s ASN 114 Cb -0.06 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.25 40.66 1t8d s ASN 114 CO 0.25 -0.19 0.79 -0.62 -2.57 0.00 0.00 177.10 174.75 1t8d s ASP 115 N 1.94 6.97 0.17 -1.22 2.15 -1.26 -1.72 116.67 123.70 1t8d s ASP 115 Ca 0.05 1.18 -0.19 0.00 0.43 0.00 0.00 52.55 54.02 1t8d s ASP 115 Cb -0.12 -2.44 0.04 0.00 -0.30 0.00 0.00 42.92 40.10 1t8d s ASP 115 CO -0.06 -0.30 0.52 0.00 -0.17 0.00 0.00 175.17 175.17 1t8d s ALA 116 N 1.66 -1.16 0.00 3.66 0.00 -1.08 -4.03 121.76 120.81 1t8d s ALA 116 Ca 0.38 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1t8d s ALA 116 Cb -0.17 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1t8d s ALA 116 CO 0.15 -0.75 0.19 1.19 0.00 0.00 0.00 175.76 176.54 1t8d n PHE 117 N -0.32 0.00 0.00 0.00 3.72 -1.26 -2.41 117.46 117.18 1t8d n PHE 117 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1t8d n PHE 117 Cb 0.63 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 1t8d n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1t8d n ASP 119 N 0.00 -0.72 -2.92 0.00 -0.08 -1.26 -4.88 116.55 106.69 1t8d n ASP 119 Ca 0.00 -2.40 0.00 0.00 -1.51 0.00 0.00 54.79 50.88 1t8d n ASP 119 Cb 0.00 0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1t8d n ASP 119 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1t8d n ARG 120 N -0.74 0.56 -2.23 -0.67 5.12 -1.26 -5.01 116.66 112.43 1t8d n ARG 120 Ca -0.03 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.71 1t8d n ARG 120 Cb 0.85 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 32.17 1t8d n ARG 120 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1t8d n LYS 121 N -0.37 3.14 -3.93 5.56 4.01 -1.26 -5.06 118.16 120.25 1t8d n LYS 121 Ca 0.00 -4.01 -0.32 0.00 -0.51 0.00 0.00 58.31 53.47 1t8d n LYS 121 Cb 0.00 -2.11 -0.05 0.00 -0.51 0.00 0.00 35.03 32.36 1t8d n LYS 121 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1t8d s LEU 122 N -3.65 4.30 -0.34 -0.35 2.34 -1.26 -4.63 118.68 115.09 1t8d s LEU 122 Ca 0.45 0.29 0.14 0.00 0.06 0.00 0.00 54.13 55.07 1t8d s LEU 122 Cb 0.39 -2.69 0.46 0.00 -0.56 0.00 0.00 46.19 43.79 1t8d s LEU 122 CO 0.02 0.23 1.06 0.61 -1.06 0.00 0.00 176.35 177.20 1t8d n GLY 123 N 0.73 3.43 2.94 -3.48 0.00 -1.26 -4.27 105.19 103.28 1t8d n GLY 123 Ca -0.09 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.44 -0.32 -0.18 4.61 0.00 -1.24 -2.63 121.76 118.58 1t8d s ALA 124 Ca 0.36 0.74 -0.09 0.00 0.00 0.00 0.00 51.96 52.97 1t8d s ALA 124 Cb 0.41 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1t8d s ALA 124 CO -0.04 -0.19 0.12 1.67 0.00 0.00 0.00 175.76 177.33 1t8d s TRP 125 N 1.25 3.43 -0.05 0.00 1.48 0.83 -3.42 118.94 122.46 1t8d s TRP 125 Ca -0.09 0.34 0.01 0.00 -1.06 0.00 0.00 56.10 55.31 1t8d s TRP 125 Cb -0.11 -2.09 0.02 0.00 -1.16 0.00 0.00 33.47 30.13 1t8d s TRP 125 CO -0.06 0.38 -0.06 0.54 -4.06 0.00 0.00 176.95 173.68 1t8d s VAL 126 N 0.00 0.70 0.10 -0.66 0.11 -1.25 -1.22 120.40 118.19 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 -0.11 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1t8d s VAL 126 CO -0.00 0.26 0.05 0.00 -3.33 0.00 0.00 175.10 172.09 1t8d s ASP 128 N -2.98 2.25 0.20 0.00 -4.77 0.13 0.23 116.67 111.72 1t8d s ASP 128 Ca 0.16 -0.45 -0.17 0.00 -3.30 0.00 0.00 52.55 48.79 1t8d s ASP 128 Cb 0.07 -0.20 0.03 0.00 -1.09 0.00 0.00 42.92 41.72 1t8d s ASP 128 CO -0.03 0.16 0.52 0.00 0.70 0.00 0.00 175.17 176.51 1t8d s ARG 129 N -0.93 1.38 0.35 2.11 1.70 -0.54 0.95 118.95 123.97 1t8d s ARG 129 Ca 0.06 -0.89 -0.26 0.00 -0.47 0.00 0.00 55.73 54.17 1t8d s ARG 129 Cb -0.08 0.52 -0.09 0.00 -0.57 0.00 0.00 34.95 34.72 1t8d s ARG 129 CO 0.01 -0.58 1.09 -0.51 -1.08 0.00 0.00 175.30 174.22 1t8d s LEU 130 N -2.88 4.32 0.46 -1.89 2.01 -1.26 0.23 118.68 119.67 1t8d s LEU 130 Ca 0.10 2.18 -0.21 0.00 0.01 0.00 0.00 54.13 56.21 1t8d s LEU 130 Cb -0.01 -3.93 -0.12 0.00 0.01 0.00 0.00 46.19 42.14 1t8d s LEU 130 CO -0.02 -0.38 0.40 0.00 1.01 0.00 0.00 176.35 177.37 1t8d n ALA 131 N 0.47 -1.79 -2.57 4.21 0.00 -0.81 -4.75 120.51 115.26 1t8d n ALA 131 Ca 0.02 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 1t8d n ALA 131 Cb 0.47 -1.70 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 1t8d n ALA 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1t8d s THR 132 N -1.61 5.09 0.00 0.00 2.01 -1.26 -4.82 115.64 115.05 1t8d s THR 132 Ca 0.63 0.40 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1t8d s THR 132 Cb -0.56 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1t8d s THR 132 CO 0.59 -0.07 0.20 0.00 -0.69 0.00 0.00 174.62 174.65 1t8d n THR 134 N 0.00 -9.48 -2.24 0.00 -1.04 -1.26 -4.63 114.28 95.63 1t8d n THR 134 Ca 0.00 0.68 -0.39 0.00 -2.04 0.00 0.00 64.05 62.30 1t8d n THR 134 Cb 0.42 -6.45 -0.02 0.00 -1.82 0.00 0.00 70.33 62.46 1t8d n THR 134 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1t8d s PRO 135 N -2.61 4.12 -0.52 -2.82 0.04 -1.26 -4.94 135.00 127.01 1t8d s PRO 135 Ca 0.27 1.94 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 1t8d s PRO 135 Cb -0.06 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.68 1t8d s PRO 135 CO 0.79 -0.29 1.78 -1.25 0.04 0.00 0.00 177.00 178.07 1t8d s PRO 136 N -2.15 2.92 -0.33 0.56 0.04 -1.26 -4.94 135.00 129.85 1t8d s PRO 136 Ca 0.55 0.82 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 1t8d s PRO 136 Cb -0.33 -4.30 -0.02 0.00 0.04 0.00 0.00 34.50 29.90 1t8d s PRO 136 CO 0.43 -2.37 1.77 0.00 0.04 0.00 0.00 177.00 176.86 1t8d s ALA 137 N 8.04 2.90 1.08 8.56 0.00 -1.26 -4.98 121.76 136.10 1t8d s ALA 137 Ca 0.69 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1t8d s ALA 137 Cb -0.15 -4.00 0.23 0.00 0.00 0.00 0.00 23.12 19.20 1t8d s ALA 137 CO 0.25 -2.58 1.13 -1.54 0.00 0.00 0.00 175.76 173.01 1t8d s SER 138 N 5.88 1.95 0.01 0.00 1.04 -1.26 -4.95 113.70 116.38 1t8d s SER 138 Ca 0.79 0.82 -0.30 0.00 0.48 0.00 0.00 55.95 57.73 1t8d s SER 138 Cb -0.22 -1.22 -0.06 0.00 0.10 0.00 0.00 66.02 64.61 1t8d s SER 138 CO 0.34 -3.50 1.47 -1.61 0.98 0.00 0.00 173.24 170.91 1t8d s GLU 139 N -5.29 4.26 0.00 4.02 2.02 -1.26 -4.89 118.70 117.56 1t8d s GLU 139 Ca 0.68 2.06 0.26 0.00 0.02 0.00 0.00 54.97 58.00 1t8d s GLU 139 Cb -0.13 -3.59 1.32 0.00 0.10 0.00 0.00 34.13 31.83 1t8d s GLU 139 CO 0.56 -0.62 1.89 0.41 0.02 0.00 0.00 175.26 177.51 1t8d n GLY 140 N 3.74 -1.17 0.84 -1.39 0.00 -1.26 -4.08 105.19 101.88 1t8d n GLY 140 Ca 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.30 0.85 -2.92 1.61 2.88 -1.26 -5.10 113.62 108.38 1t8d n SER 141 Ca 0.12 0.12 -0.09 0.00 -1.33 0.00 0.00 58.87 57.69 1t8d n SER 141 Cb 0.21 -0.30 0.01 0.00 -0.75 0.00 0.00 64.21 63.39 1t8d n SER 141 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t8d n ALA 142 N -3.48 -2.99 -0.72 -1.46 0.00 -1.26 -5.30 120.51 105.30 1t8d n ALA 142 Ca -0.07 0.82 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1t8d n ALA 142 Cb 0.33 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1t8d n ALA 142 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65