#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 0.62 0.00 0.46 0.00 -1.26 -5.04 105.19 99.96 1t8d n GLY 2 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1t8d n GLY 2 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t8d n PHE 3 N 0.00 0.00 0.42 1.61 -0.00 -1.26 -4.81 117.46 113.42 1t8d n PHE 3 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.54 1t8d n PHE 3 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 39.48 39.60 1t8d n PHE 3 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1t8d n VAL 4 N 0.00 0.30 -1.46 -2.13 0.24 -1.26 -4.65 118.33 109.38 1t8d n VAL 4 Ca 0.00 -0.65 -0.28 0.00 -2.04 0.00 0.00 64.34 61.37 1t8d n VAL 4 Cb 0.00 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.40 1t8d n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t8d s ASN 6 N 1.00 -0.72 -0.03 0.00 3.84 -1.25 -4.94 114.94 112.83 1t8d s ASN 6 Ca 0.61 -0.51 0.02 0.00 0.21 0.00 0.00 52.86 53.19 1t8d s ASN 6 Cb 0.30 0.93 -0.25 0.00 -0.55 0.00 0.00 41.25 41.67 1t8d s ASN 6 CO -0.12 -0.06 0.70 0.00 -2.79 0.00 0.00 177.10 174.83 1t8d h THR 7 N 3.80 0.96 -3.03 -5.21 1.03 -1.80 -3.45 112.91 105.21 1t8d h THR 7 Ca 0.00 -2.69 -0.57 0.00 -0.01 0.00 0.00 66.41 63.14 1t8d h THR 7 Cb 1.20 2.59 -0.04 0.00 -1.07 0.00 0.00 68.15 70.83 1t8d h THR 7 CO -0.03 0.74 1.15 0.00 -0.01 0.00 0.00 175.52 177.36 1t8d n PRO 9 N 8.25 0.00 0.00 0.00 -0.04 -1.26 -4.86 135.00 137.09 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 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 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 -1.61 0.00 0.00 0.54 2.13 -1.26 -4.88 120.64 115.56 1t8d n GLU 10 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1t8d n GLU 10 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1t8d n GLU 10 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1t8d n LYS 11 N -0.80 0.00 -1.46 5.31 5.02 -1.26 -4.63 118.16 120.35 1t8d n LYS 11 Ca 0.00 0.69 -0.52 0.00 -2.02 0.00 0.00 58.31 56.46 1t8d n LYS 11 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 1t8d n LYS 11 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1t8d n TRP 12 N -2.37 0.12 -4.22 2.13 8.01 -1.26 -4.47 117.44 115.37 1t8d n TRP 12 Ca 0.00 0.98 -0.24 0.00 -1.31 0.00 0.00 57.50 56.93 1t8d n TRP 12 Cb 0.00 -2.04 -0.17 0.00 -2.01 0.00 0.00 31.31 27.09 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 -0.55 0.86 0.10 -0.99 1.01 0.21 -4.10 121.20 117.74 1t8d s ILE 13 Ca 0.75 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 61.16 1t8d s ILE 13 Cb -1.06 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1t8d s ILE 13 CO 0.56 0.31 0.15 0.21 0.00 0.00 0.00 174.94 176.17 1t8d s ASN 14 N 1.10 5.82 0.00 3.58 3.84 -1.26 0.96 114.94 128.97 1t8d s ASN 14 Ca -0.07 0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.05 1t8d s ASN 14 Cb -0.14 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.92 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 0.10 0.00 -0.24 0.43 3.72 0.14 -4.95 117.46 116.66 1t8d n PHE 15 Ca -0.08 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.37 1t8d n PHE 15 Cb 0.52 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.22 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 0.18 0.00 -1.08 3.07 -2.04 -3.40 115.11 111.84 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 0.12 0.00 -2.13 0.09 0.00 0.00 178.83 176.91 1t8d n ARG 17 N -5.24 0.00 -4.29 0.06 0.00 -1.26 -5.14 116.66 100.80 1t8d n ARG 17 Ca 0.13 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.72 1t8d n ARG 17 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.81 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 2.19 0.25 -0.14 -2.85 -1.26 -2.42 119.74 115.51 1t8d s LYS 18 Ca 0.00 -1.32 0.06 0.00 -1.00 0.00 0.00 55.97 53.71 1t8d s LYS 18 Cb 0.00 -2.17 -0.05 0.00 -2.06 0.00 0.00 37.83 33.54 1t8d s LYS 18 CO 0.00 0.41 -0.06 0.00 0.10 0.00 0.00 175.35 175.79 1t8d s TYR 20 N -3.10 1.86 -0.22 0.00 1.51 0.27 -1.64 117.35 116.02 1t8d s TYR 20 Ca 0.28 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1t8d s TYR 20 Cb 0.03 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1t8d s TYR 20 CO 0.10 0.31 -0.09 0.71 -1.11 0.00 0.00 175.55 175.48 1t8d s TYR 21 N -1.79 2.97 -0.43 2.71 2.02 0.62 -0.62 117.35 122.82 1t8d s TYR 21 Ca 0.14 -1.38 0.09 0.00 -0.37 0.00 0.00 57.07 55.55 1t8d s TYR 21 Cb -0.07 -2.04 0.41 0.00 -0.40 0.00 0.00 41.96 39.85 1t8d s TYR 21 CO 0.06 -0.69 1.01 1.19 -1.57 0.00 0.00 175.55 175.55 1t8d n PHE 22 N 4.70 2.74 -2.35 2.71 3.72 -1.26 -1.55 117.46 126.17 1t8d n PHE 22 Ca -0.18 -3.27 -0.24 0.00 -0.05 0.00 0.00 57.45 53.71 1t8d n PHE 22 Cb 0.49 -0.26 0.14 0.00 -0.94 0.00 0.00 39.48 38.91 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 -0.27 -0.05 3.15 1.37 0.00 -0.43 -4.65 105.19 104.31 1t8d n GLY 23 Ca 0.29 -1.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 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 -5.22 1.48 0.00 1.61 -2.85 -1.26 -0.41 119.74 113.09 1t8d s LYS 24 Ca 0.65 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 55.02 1t8d s LYS 24 Cb -0.03 -1.38 0.00 0.00 -2.06 0.00 0.00 37.83 34.36 1t8d s LYS 24 CO 0.44 0.33 0.00 0.41 0.10 0.00 0.00 175.35 176.63 1t8d n GLY 25 N 2.81 0.54 0.00 0.59 0.00 -0.86 -4.81 105.19 103.46 1t8d n GLY 25 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.10 2.61 -2.24 -1.26 -4.74 114.28 108.76 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 -1.08 -0.78 5.02 -1.26 -4.95 118.16 115.11 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 -3.14 1.35 -0.01 1.97 6.02 -1.26 -4.76 117.38 117.55 1t8d n GLN 28 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1t8d n GLN 28 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 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 0.54 0.09 -0.59 1.08 7.01 -1.98 -2.73 115.95 119.37 1t8d h TRP 29 Ca 0.00 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.12 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 0.37 0.41 -0.39 -2.79 0.00 0.00 178.44 176.04 1t8d h VAL 30 N -0.22 0.78 0.00 2.65 -1.51 -1.98 0.38 116.25 116.35 1t8d h VAL 30 Ca 0.01 -0.06 -0.11 0.00 -1.23 0.00 0.00 66.70 65.32 1t8d h VAL 30 Cb 0.34 0.59 -0.02 0.00 -2.13 0.00 0.00 31.29 30.08 1t8d h VAL 30 CO 0.00 0.03 -0.50 0.45 -1.23 0.00 0.00 177.57 176.32 1t8d h HIS 31 N 0.17 0.00 -0.02 5.19 3.86 -1.91 -1.87 115.15 120.57 1t8d h HIS 31 Ca 0.28 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 1t8d h HIS 31 Cb 0.87 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.34 1t8d h HIS 31 CO -0.00 0.50 -0.03 0.00 0.86 0.00 0.00 177.93 179.26 1t8d h ALA 32 N 1.50 0.03 -0.08 2.45 0.00 0.05 -1.65 119.26 121.56 1t8d h ALA 32 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1t8d h ALA 32 Cb 1.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1t8d h ALA 32 CO 0.07 -0.18 -0.11 0.07 0.00 0.00 0.00 179.25 179.10 1t8d h ARG 33 N -0.44 0.12 -0.53 0.00 -0.00 -1.41 -1.12 114.38 110.99 1t8d h ARG 33 Ca 0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 59.98 59.87 1t8d h ARG 33 Cb 0.56 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.49 1t8d h ARG 33 CO 0.01 0.23 -0.04 -0.92 -0.00 0.00 0.00 179.97 179.25 1t8d h TYR 34 N 0.11 1.02 -0.46 4.08 3.20 -1.21 -2.24 116.97 121.47 1t8d h TYR 34 Ca 0.03 -0.17 -0.08 0.00 3.14 0.00 0.00 58.73 61.64 1t8d h TYR 34 Cb 0.26 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1t8d h TYR 34 CO 0.00 0.93 -0.03 0.00 -1.64 0.00 0.00 178.16 177.42 1t8d h ALA 35 N 1.09 1.09 -0.22 1.82 0.00 -0.24 -2.58 119.26 120.21 1t8d h ALA 35 Ca 0.15 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1t8d h ALA 35 Cb 0.56 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1t8d h ALA 35 CO 0.03 0.57 0.05 0.00 0.00 0.00 0.00 179.25 179.91 1t8d h ASP 37 N 0.14 0.86 1.03 0.00 1.82 -1.11 0.66 116.42 119.82 1t8d h ASP 37 Ca 0.10 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 1t8d h ASP 37 Cb 0.09 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.93 1t8d h ASP 37 CO -0.13 0.52 -0.10 0.44 -1.61 0.00 0.00 179.24 178.37 1t8d h ASP 38 N 0.96 0.00 -0.01 2.28 5.19 -0.92 -2.63 116.42 121.30 1t8d h ASP 38 Ca 0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 1t8d h ASP 38 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1t8d h ASP 38 CO -0.17 0.10 -0.67 0.23 -3.12 0.00 0.00 179.24 175.61 1t8d n MET 39 N -3.23 0.83 -3.02 3.56 2.81 0.43 -4.99 117.12 113.52 1t8d n MET 39 Ca 0.01 -0.59 -0.12 0.00 -1.81 0.00 0.00 57.70 55.18 1t8d n MET 39 Cb 0.37 -1.46 0.06 0.00 -0.71 0.00 0.00 33.22 31.48 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 -0.61 -4.63 0.00 0.03 1.02 0.20 -4.93 120.64 111.71 1t8d n GLU 40 Ca 0.07 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1t8d n GLU 40 Cb 0.40 -4.75 0.00 0.00 -0.02 0.00 0.00 31.44 27.07 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 -1.18 3.67 3.44 0.62 0.00 -0.51 -4.62 105.19 106.61 1t8d n GLY 41 Ca -0.15 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 3.54 1.24 -0.37 1.61 0.74 0.27 -4.78 119.66 121.91 1t8d s GLN 42 Ca 0.00 -0.46 -0.29 0.00 0.05 0.00 0.00 55.36 54.66 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 -0.54 1.31 -1.17 -0.55 0.00 0.00 175.29 174.33 1t8d s LEU 43 N -2.73 3.73 0.00 3.68 2.96 -1.26 0.20 118.68 125.26 1t8d s LEU 43 Ca 0.02 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 -1.24 0.00 1.33 -1.32 0.00 0.00 176.35 175.00 1t8d n VAL 44 N 6.63 0.00 -2.70 1.68 0.24 -1.25 -2.97 118.33 119.96 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 32.89 1t8d n VAL 44 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1t8d n SER 45 N -0.25 -3.57 -4.65 -1.34 7.64 -1.26 -4.64 113.62 105.55 1t8d n SER 45 Ca 0.00 -0.41 -0.41 0.00 1.01 0.00 0.00 58.87 59.06 1t8d n SER 45 Cb 0.00 -3.35 0.02 0.00 -1.01 0.00 0.00 64.21 59.86 1t8d n SER 45 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1t8d n ILE 46 N -2.71 2.65 -0.86 0.44 5.41 -1.26 -4.85 119.36 118.17 1t8d n ILE 46 Ca -0.10 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.15 1t8d n ILE 46 Cb 0.59 -1.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 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 -0.49 0.00 -4.18 1.39 1.44 -1.26 -4.83 115.22 107.28 1t8d n HIS 47 Ca 0.09 -0.01 -0.31 0.00 -2.01 0.00 0.00 57.72 55.48 1t8d n HIS 47 Cb 0.40 -0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.35 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 -0.01 2.80 0.58 4.39 0.01 -1.26 -4.82 113.70 115.39 1t8d s SER 48 Ca 0.00 -0.53 0.33 0.00 1.31 0.00 0.00 55.95 57.06 1t8d s SER 48 Cb 0.00 -1.27 1.40 0.00 0.21 0.00 0.00 66.02 66.36 1t8d s SER 48 CO 0.00 -0.02 1.68 -0.65 0.41 0.00 0.00 173.24 174.66 1t8d h PRO 49 N 7.85 0.00 -0.06 12.44 0.11 -1.96 0.43 132.00 150.81 1t8d h PRO 49 Ca -0.38 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 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 0.55 0.00 -0.25 1.49 -0.21 0.00 0.00 178.00 179.58 1t8d h GLU 50 N 0.00 0.27 -0.26 1.05 4.81 -1.98 -1.86 114.58 116.61 1t8d h GLU 50 Ca 0.48 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1t8d h GLU 50 Cb 2.28 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.69 1t8d h GLU 50 CO -0.01 0.86 0.11 0.93 -0.73 0.00 0.00 179.01 180.17 1t8d h GLU 51 N -0.25 0.39 -0.68 1.92 4.39 -0.61 0.57 114.58 120.32 1t8d h GLU 51 Ca -0.01 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.64 1t8d h GLU 51 Cb 0.90 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 1t8d h GLU 51 CO 0.05 0.41 0.44 -0.56 -1.16 0.00 0.00 179.01 178.19 1t8d h GLN 52 N 0.28 0.85 -0.28 2.33 -0.00 -1.30 -1.09 115.11 115.89 1t8d h GLN 52 Ca 0.09 -0.05 -0.09 0.00 -0.00 0.00 0.00 58.65 58.59 1t8d h GLN 52 Cb 0.16 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.48 27.44 1t8d h GLN 52 CO -0.01 0.56 -0.22 0.22 -0.00 0.00 0.00 178.83 179.38 1t8d h ASP 53 N 0.88 0.53 0.14 0.06 3.58 -1.02 0.12 116.42 120.70 1t8d h ASP 53 Ca 0.26 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1t8d h ASP 53 Cb -0.05 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.86 1t8d h ASP 53 CO -0.08 0.75 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.70 1t8d h PHE 54 N 0.47 -0.19 -0.11 0.28 0.04 0.13 0.33 116.94 117.88 1t8d h PHE 54 Ca 0.07 -0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.60 1t8d h PHE 54 Cb 0.65 0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.88 1t8d h PHE 54 CO 0.02 -0.12 -0.86 1.37 -0.60 0.00 0.00 178.31 178.13 1t8d h LEU 55 N -0.20 0.93 -1.15 1.54 8.10 -1.19 -1.60 115.31 121.73 1t8d h LEU 55 Ca -0.02 -0.65 0.02 0.00 0.11 0.00 0.00 57.88 57.35 1t8d h LEU 55 Cb 0.16 -0.28 -0.05 0.00 -0.44 0.00 0.00 40.66 40.06 1t8d h LEU 55 CO 0.03 1.45 0.58 0.74 -4.11 0.00 0.00 178.44 177.12 1t8d h THR 56 N 0.49 1.18 -0.09 0.15 2.02 -0.65 0.31 112.91 116.32 1t8d h THR 56 Ca -0.07 -0.39 -0.18 0.00 0.77 0.00 0.00 66.41 66.54 1t8d h THR 56 Cb 1.49 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1t8d h THR 56 CO 0.17 0.21 -0.70 0.50 0.37 0.00 0.00 175.52 176.07 1t8d h LYS 57 N 1.13 0.41 0.00 6.66 1.63 -0.31 -2.95 116.57 123.13 1t8d h LYS 57 Ca 0.34 -0.32 -0.08 0.00 -0.85 0.00 0.00 60.65 59.74 1t8d h LYS 57 Cb -0.04 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1t8d h LYS 57 CO -0.09 0.95 -0.37 1.25 -3.45 0.00 0.00 179.45 177.74 1t8d h HIS 58 N 0.29 0.00 -2.27 1.91 2.76 -0.10 -3.43 115.15 114.30 1t8d h HIS 58 Ca -0.02 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 57.59 1t8d h HIS 58 Cb 1.27 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.25 1t8d h HIS 58 CO 0.04 0.37 1.20 0.00 -1.30 0.00 0.00 177.93 178.24 1t8d n ALA 59 N -2.46 1.42 -1.00 5.26 0.00 0.93 -4.94 120.51 119.72 1t8d n ALA 59 Ca -0.02 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1t8d n ALA 59 Cb 0.41 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1t8d n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t8d n SER 60 N 7.22 0.00 -0.06 0.00 7.64 -1.26 -4.80 113.62 122.36 1t8d n SER 60 Ca 0.21 0.34 -0.14 0.00 1.01 0.00 0.00 58.87 60.29 1t8d n SER 60 Cb 0.38 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 1t8d n SER 60 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1t8d n HIS 61 N -0.35 0.00 -1.31 1.43 -0.00 -1.26 -5.05 115.22 108.69 1t8d n HIS 61 Ca 0.00 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.95 1t8d n HIS 61 Cb 0.00 -0.46 0.18 0.00 -0.12 0.00 0.00 29.99 29.59 1t8d n HIS 61 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1t8d n THR 62 N -3.62 0.00 -1.40 3.57 -2.24 -1.26 -4.93 114.28 104.40 1t8d n THR 62 Ca -0.25 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1t8d n THR 62 Cb 0.66 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 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 -2.55 1.59 3.22 3.38 0.00 -1.26 -4.75 105.19 104.81 1t8d n GLY 63 Ca 0.12 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 1.33 -0.14 1.61 1.04 -1.25 -3.84 113.70 111.45 1t8d s SER 64 Ca 0.00 -1.07 -0.04 0.00 0.48 0.00 0.00 55.95 55.32 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 -0.47 -0.02 0.26 0.98 0.00 0.00 173.24 173.99 1t8d s TRP 65 N -3.56 3.08 0.38 5.02 0.51 -1.24 -3.54 118.94 119.59 1t8d s TRP 65 Ca 0.18 -0.12 0.08 0.00 -2.12 0.00 0.00 56.10 54.11 1t8d s TRP 65 Cb 0.05 -1.93 -0.06 0.00 -0.81 0.00 0.00 33.47 30.72 1t8d s TRP 65 CO -0.00 0.12 0.08 0.96 -0.51 0.00 0.00 176.95 177.60 1t8d s ILE 66 N 0.05 2.41 -0.42 2.03 -4.36 -1.26 -4.20 121.20 115.46 1t8d s ILE 66 Ca 0.01 -1.86 -0.05 0.00 -0.26 0.00 0.00 60.65 58.50 1t8d s ILE 66 Cb -0.13 -2.92 -0.13 0.00 1.25 0.00 0.00 42.46 40.53 1t8d s ILE 66 CO 0.02 -0.08 2.45 0.61 0.24 0.00 0.00 174.94 178.18 1t8d n GLY 67 N -1.08 2.72 3.08 6.27 0.00 -1.16 -4.68 105.19 110.34 1t8d n GLY 67 Ca -0.03 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 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 0.04 1.79 -0.04 0.99 1.98 -1.26 -1.67 118.68 120.51 1t8d s LEU 68 Ca 0.45 -0.42 -0.02 0.00 -2.89 0.00 0.00 54.13 51.25 1t8d s LEU 68 Cb 0.17 -1.08 0.03 0.00 0.66 0.00 0.00 46.19 45.97 1t8d s LEU 68 CO -0.02 0.06 0.05 -0.60 -1.89 0.00 0.00 176.35 173.95 1t8d s ARG 69 N 0.73 0.04 0.41 1.98 6.06 0.12 -3.77 118.95 124.52 1t8d s ARG 69 Ca -0.12 0.31 -0.13 0.00 -2.50 0.00 0.00 55.73 53.28 1t8d s ARG 69 Cb -0.16 -0.55 -0.08 0.00 0.06 0.00 0.00 34.95 34.23 1t8d s ARG 69 CO 0.03 -0.30 0.81 1.21 -2.50 0.00 0.00 175.30 174.55 1t8d s ASN 70 N 1.98 6.63 0.00 -2.12 3.84 -0.38 -0.88 114.94 124.01 1t8d s ASN 70 Ca 0.03 1.29 0.00 0.00 0.21 0.00 0.00 52.86 54.39 1t8d s ASN 70 Cb -0.12 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 1t8d s ASN 70 CO -0.03 -0.39 0.53 0.18 -2.79 0.00 0.00 177.10 174.60 1t8d n LEU 71 N -1.08 0.00 0.02 3.21 4.77 -1.00 -4.82 117.00 118.09 1t8d n LEU 71 Ca 0.04 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1t8d n LEU 71 Cb 0.54 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1t8d n LEU 71 CO 0.45 -0.03 0.00 0.47 -1.33 0.00 0.00 177.39 176.95 1t8d n ASP 72 N -0.96 0.11 0.07 -1.43 9.92 -1.26 -5.02 116.55 117.98 1t8d n ASP 72 Ca 0.00 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1t8d n ASP 72 Cb 0.00 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1t8d n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t8d n LEU 73 N -2.67 -0.88 -1.20 0.64 -0.00 -1.24 -4.55 117.00 107.10 1t8d n LEU 73 Ca 0.00 0.26 0.11 0.00 -0.00 0.00 0.00 56.01 56.38 1t8d n LEU 73 Cb 0.00 1.03 0.26 0.00 -0.00 0.00 0.00 43.42 44.70 1t8d n LEU 73 CO 0.00 -0.39 0.73 2.29 -0.00 0.00 0.00 177.39 180.02 1t8d n LYS 74 N -2.85 2.60 0.00 1.47 2.85 -1.26 -4.36 118.16 116.61 1t8d n LYS 74 Ca 0.00 -2.43 0.00 0.00 -1.05 0.00 0.00 58.31 54.83 1t8d n LYS 74 Cb 0.00 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 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 1.49 -0.46 3.21 2.58 0.00 -1.26 -5.08 105.19 105.68 1t8d n GLY 75 Ca 0.21 -1.21 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 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 1.18 -0.10 1.61 2.02 -1.26 -4.89 118.70 117.25 1t8d s GLU 76 Ca 0.00 -0.89 -0.30 0.00 0.02 0.00 0.00 54.97 53.80 1t8d s GLU 76 Cb 0.00 -1.26 -0.04 0.00 0.10 0.00 0.00 34.13 32.93 1t8d s GLU 76 CO 0.00 0.32 1.44 -0.59 0.02 0.00 0.00 175.26 176.45 1t8d s PHE 77 N -0.86 2.48 -0.00 1.61 -0.12 -1.26 -2.38 117.98 117.44 1t8d s PHE 77 Ca 0.05 0.64 0.08 0.00 -0.05 0.00 0.00 56.93 57.65 1t8d s PHE 77 Cb -0.09 -3.69 -0.02 0.00 -0.63 0.00 0.00 43.02 38.59 1t8d s PHE 77 CO 0.02 -2.68 -0.25 0.42 -0.05 0.00 0.00 175.22 172.67 1t8d s ILE 78 N 3.60 2.16 0.50 -4.49 1.01 -0.06 -2.63 121.20 121.29 1t8d s ILE 78 Ca 0.64 -1.15 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 1t8d s ILE 78 Cb -0.28 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.34 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 -0.67 2.94 0.60 3.97 0.52 -0.22 0.12 118.94 126.20 1t8d s TRP 79 Ca 0.11 1.57 0.32 0.00 0.02 0.00 0.00 56.10 58.11 1t8d s TRP 79 Cb -0.10 -3.10 1.92 0.00 -1.15 0.00 0.00 33.47 31.04 1t8d s TRP 79 CO -0.00 -0.99 2.27 -0.24 0.02 0.00 0.00 176.95 178.02 1t8d h VAL 80 N 1.42 0.44 0.00 4.03 3.04 -1.64 0.28 116.25 123.83 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 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 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 -0.09 3.17 2.03 -1.26 -4.88 116.55 111.79 1t8d n ASP 81 Ca -0.03 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1t8d n ASP 81 Cb 0.08 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 0.99 1.02 2.86 0.27 0.00 0.98 -5.08 105.19 106.23 1t8d n GLY 82 Ca 0.13 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.59 1.96 0.48 1.61 0.01 -1.22 -4.90 113.70 109.04 1t8d s SER 83 Ca 0.00 -0.22 -0.23 0.00 1.31 0.00 0.00 55.95 56.81 1t8d s SER 83 Cb 0.00 -0.70 -0.08 0.00 0.21 0.00 0.00 66.02 65.45 1t8d s SER 83 CO 0.00 -0.14 1.07 1.41 0.41 0.00 0.00 173.24 175.98 1t8d n HIS 84 N 5.00 1.32 -1.68 2.43 8.25 -1.26 -1.06 115.22 128.23 1t8d n HIS 84 Ca -0.11 0.50 -0.39 0.00 -0.26 0.00 0.00 57.72 57.46 1t8d n HIS 84 Cb 0.50 -2.24 0.03 0.00 1.12 0.00 0.00 29.99 29.40 1t8d n HIS 84 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1t8d n VAL 85 N -0.82 3.26 -0.00 1.59 0.31 -1.08 -4.80 118.33 116.79 1t8d n VAL 85 Ca 0.10 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.90 1t8d n VAL 85 Cb 0.42 -1.42 -0.01 0.00 -0.91 0.00 0.00 33.84 31.92 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 -0.40 1.14 -0.10 4.52 8.00 -1.26 -4.92 116.55 123.53 1t8d n ASP 86 Ca 0.10 0.17 -0.24 0.00 0.71 0.00 0.00 54.79 55.53 1t8d n ASP 86 Cb 0.43 -0.43 -0.12 0.00 -0.02 0.00 0.00 41.12 40.99 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 -3.58 0.58 -1.27 1.24 4.01 -1.26 -5.10 117.16 111.79 1t8d n TYR 87 Ca -0.04 0.20 0.16 0.00 -0.16 0.00 0.00 57.90 58.05 1t8d n TYR 87 Cb 0.15 -1.07 -0.05 0.00 -0.31 0.00 0.00 39.34 38.07 1t8d n TYR 87 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1t8d n SER 88 N -3.98 -7.23 0.00 7.72 3.41 -1.26 -4.89 113.62 107.39 1t8d n SER 88 Ca -0.41 0.73 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1t8d n SER 88 Cb 0.87 -4.03 0.00 0.00 -0.26 0.00 0.00 64.21 60.80 1t8d n SER 88 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1t8d n ASN 89 N -4.31 2.26 0.00 4.04 3.02 -1.26 -5.01 115.26 114.01 1t8d n ASN 89 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1t8d n ASN 89 Cb 0.65 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 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 -0.91 0.00 -1.69 3.10 7.02 -1.26 -4.49 117.44 119.22 1t8d n TRP 90 Ca 0.00 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.04 1t8d n TRP 90 Cb 0.10 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.97 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 0.65 1.48 0.16 6.99 0.00 0.16 -4.84 120.51 125.11 1t8d n ALA 91 Ca 0.00 0.41 0.11 0.00 0.00 0.00 0.00 53.44 53.96 1t8d n ALA 91 Cb 0.00 -2.33 0.58 0.00 0.00 0.00 0.00 19.45 17.70 1t8d n ALA 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1t8d n PRO 92 N 2.32 0.14 -0.07 0.00 -0.02 -1.26 -1.65 135.00 134.46 1t8d n PRO 92 Ca 0.12 0.64 0.01 0.00 -2.02 0.00 0.00 63.50 62.25 1t8d n PRO 92 Cb 0.32 -1.96 0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1t8d n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t8d n GLY 93 N -1.30 0.37 2.90 -1.23 0.00 -1.26 -4.45 105.19 100.22 1t8d n GLY 93 Ca -0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1t8d n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t8d s GLU 94 N -1.59 2.22 0.10 1.61 2.12 -0.66 -5.09 118.70 117.42 1t8d s GLU 94 Ca 0.06 -3.02 -0.34 0.00 0.36 0.00 0.00 54.97 52.03 1t8d s GLU 94 Cb 0.04 -3.32 -0.13 0.00 0.26 0.00 0.00 34.13 30.98 1t8d s GLU 94 CO 0.03 -1.22 1.68 -2.30 -0.54 0.00 0.00 175.26 172.91 1t8d n PRO 95 N 2.45 2.24 -0.18 4.30 -0.02 -1.26 -4.99 135.00 137.54 1t8d n PRO 95 Ca 0.14 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1t8d n PRO 95 Cb 0.34 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1t8d n PRO 95 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1t8d n THR 96 N 3.98 0.00 -2.04 3.45 -2.24 -1.26 -4.44 114.28 111.72 1t8d n THR 96 Ca 0.18 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.77 1t8d n THR 96 Cb 0.30 -1.75 -0.04 0.00 -2.10 0.00 0.00 70.33 66.74 1t8d n THR 96 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1t8d n SER 97 N -2.21 -5.41 -1.24 3.42 2.88 -1.26 -4.72 113.62 105.09 1t8d n SER 97 Ca 0.00 0.22 -0.04 0.00 -1.33 0.00 0.00 58.87 57.72 1t8d n SER 97 Cb 0.00 -4.64 -0.01 0.00 -0.75 0.00 0.00 64.21 58.81 1t8d n SER 97 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1t8d n ARG 98 N -2.68 0.25 -1.46 -1.46 1.85 -1.26 -5.15 116.66 106.75 1t8d n ARG 98 Ca -0.22 -0.77 -0.34 0.00 -1.00 0.00 0.00 57.85 55.52 1t8d n ARG 98 Cb 0.66 0.45 0.09 0.00 -1.05 0.00 0.00 32.46 32.61 1t8d n ARG 98 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1t8d s SER 99 N -0.75 4.23 -0.00 2.89 0.15 -1.26 -4.96 113.70 114.00 1t8d s SER 99 Ca 0.02 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.04 1t8d s SER 99 Cb 0.08 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1t8d s SER 99 CO -0.02 -2.24 0.69 0.00 1.20 0.00 0.00 173.24 172.87 1t8d n GLN 100 N -2.65 0.04 0.00 5.44 -0.00 -1.26 -5.06 117.38 113.89 1t8d n GLN 100 Ca 0.14 -0.71 0.00 0.00 -0.00 0.00 0.00 57.00 56.43 1t8d n GLN 100 Cb 0.50 -0.51 0.00 0.00 -0.00 0.00 0.00 30.24 30.23 1t8d n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1t8d n GLY 101 N -0.01 -0.70 1.80 2.61 0.00 -1.26 -4.98 105.19 102.64 1t8d n GLY 101 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.88 0.00 1.61 1.02 -1.26 -4.26 120.64 113.87 1t8d n GLU 102 Ca 0.00 2.92 0.00 0.00 -0.02 0.00 0.00 57.16 60.06 1t8d n GLU 102 Cb 0.00 -3.30 0.00 0.00 -0.02 0.00 0.00 31.44 28.12 1t8d n GLU 102 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1t8d n ASP 103 N 1.34 0.00 -3.66 1.62 2.03 -1.24 -3.66 116.55 112.98 1t8d n ASP 103 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 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 -3.56 2.09 0.35 0.00 1.01 -1.25 -1.97 120.40 117.07 1t8d s VAL 105 Ca 0.08 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.10 1t8d s VAL 105 Cb -0.03 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 1t8d s VAL 105 CO -0.02 0.56 0.01 0.00 0.00 0.00 0.00 175.10 175.65 1t8d s MET 106 N 0.26 1.74 -0.09 2.72 0.23 -0.43 -4.02 119.30 119.72 1t8d s MET 106 Ca -0.16 -1.96 0.04 0.00 -1.03 0.00 0.00 55.69 52.58 1t8d s MET 106 Cb -0.17 -1.22 0.00 0.00 -1.53 0.00 0.00 34.83 31.91 1t8d s MET 106 CO 0.08 -0.08 -0.21 0.00 -2.03 0.00 0.00 175.02 172.78 1t8d s MET 107 N -3.79 2.63 0.00 3.16 0.23 -1.23 0.13 119.30 120.44 1t8d s MET 107 Ca 0.35 -0.75 0.13 0.00 -1.03 0.00 0.00 55.69 54.39 1t8d s MET 107 Cb 0.08 -2.04 0.70 0.00 -1.53 0.00 0.00 34.83 32.04 1t8d s MET 107 CO 0.16 0.15 1.33 -2.13 -2.03 0.00 0.00 175.02 172.51 1t8d n ARG 108 N 3.55 0.23 0.00 3.16 0.63 -1.12 -3.93 116.66 119.18 1t8d n ARG 108 Ca -0.20 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1t8d n ARG 108 Cb 0.53 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.94 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 -0.15 2.89 0.22 5.14 0.00 -1.26 -4.78 105.19 107.25 1t8d n GLY 109 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 1.61 0.02 -1.88 -3.40 113.55 109.90 1t8d h SER 110 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t8d h SER 110 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1t8d h SER 110 CO 0.00 0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 1t8d n GLY 111 N -0.60 0.09 3.68 -3.77 0.00 -1.26 -5.02 105.19 98.32 1t8d n GLY 111 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1t8d n GLY 111 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t8d s ARG 112 N 0.00 2.16 0.31 1.61 1.04 -1.26 -4.88 118.95 117.94 1t8d s ARG 112 Ca 0.00 -1.61 0.08 0.00 -1.04 0.00 0.00 55.73 53.16 1t8d s ARG 112 Cb 0.00 0.56 -0.03 0.00 -2.04 0.00 0.00 34.95 33.44 1t8d s ARG 112 CO 0.00 -0.98 0.22 -1.58 -0.04 0.00 0.00 175.30 172.92 1t8d s TRP 113 N -2.45 2.90 -0.07 5.89 0.52 -1.26 -2.78 118.94 121.69 1t8d s TRP 113 Ca 0.22 -0.27 -0.01 0.00 0.02 0.00 0.00 56.10 56.06 1t8d s TRP 113 Cb -0.03 -1.63 0.03 0.00 -1.15 0.00 0.00 33.47 30.68 1t8d s TRP 113 CO 0.16 0.32 0.01 -0.80 0.02 0.00 0.00 176.95 176.66 1t8d s ASN 114 N -3.91 1.53 -0.70 2.95 -0.87 0.35 0.37 114.94 114.67 1t8d s ASN 114 Ca 0.38 -0.06 -0.17 0.00 -1.57 0.00 0.00 52.86 51.44 1t8d s ASN 114 Cb -0.06 -0.40 0.15 0.00 -0.02 0.00 0.00 41.25 40.93 1t8d s ASN 114 CO 0.25 -0.20 0.73 -0.62 -2.57 0.00 0.00 177.10 174.69 1t8d s ASP 115 N 2.00 6.42 0.17 -1.22 -1.08 -1.26 -1.32 116.67 120.38 1t8d s ASP 115 Ca 0.05 -1.99 -0.19 0.00 -0.52 0.00 0.00 52.55 49.91 1t8d s ASP 115 Cb -0.12 -2.27 0.04 0.00 -1.46 0.00 0.00 42.92 39.11 1t8d s ASP 115 CO -0.05 -0.88 0.51 0.00 0.52 0.00 0.00 175.17 175.27 1t8d s ALA 116 N 1.66 -1.14 0.98 3.66 0.00 -0.83 -4.69 121.76 121.40 1t8d s ALA 116 Ca 0.14 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.98 1t8d s ALA 116 Cb -0.19 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.68 1t8d s ALA 116 CO -0.01 -0.75 -0.30 0.34 0.00 0.00 0.00 175.76 175.04 1t8d n PHE 117 N -0.32 -3.33 -1.56 0.00 7.35 -1.26 -2.96 117.46 115.38 1t8d n PHE 117 Ca -0.14 0.11 -0.41 0.00 -0.76 0.00 0.00 57.45 56.25 1t8d n PHE 117 Cb 0.63 -1.58 -0.01 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 6.06 0.00 -2.21 0.00 -0.08 -1.26 -4.95 116.55 114.11 1t8d n ASP 119 Ca 0.54 -1.01 -0.01 0.00 -1.51 0.00 0.00 54.79 52.80 1t8d n ASP 119 Cb 0.37 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.82 1t8d n ASP 119 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1t8d n ARG 120 N -0.83 -4.36 -0.29 -0.67 0.00 -1.26 -5.03 116.66 104.22 1t8d n ARG 120 Ca 0.12 3.26 0.00 0.00 -0.00 0.00 0.00 57.85 61.22 1t8d n ARG 120 Cb 0.05 -4.19 0.00 0.00 0.00 0.00 0.00 32.46 28.32 1t8d n ARG 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1t8d n LYS 121 N 1.55 0.00 -4.43 -0.14 5.02 -1.26 -5.13 118.16 113.76 1t8d n LYS 121 Ca -0.07 -0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 55.85 1t8d n LYS 121 Cb 0.11 -0.10 -0.10 0.00 -0.02 0.00 0.00 35.03 34.92 1t8d n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1t8d s LEU 122 N 0.00 2.45 0.00 -0.35 1.02 -1.26 -4.37 118.68 116.17 1t8d s LEU 122 Ca 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 54.13 52.93 1t8d s LEU 122 Cb 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 46.19 45.61 1t8d s LEU 122 CO 0.00 -0.38 0.49 0.61 0.02 0.00 0.00 176.35 177.09 1t8d n GLY 123 N -0.60 -1.99 3.07 -3.19 0.00 -1.26 -4.81 105.19 96.41 1t8d n GLY 123 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 1.50 -0.15 4.61 0.00 -1.25 -2.03 121.76 124.44 1t8d s ALA 124 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 1t8d s ALA 124 Cb 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1t8d s ALA 124 CO 0.00 0.15 0.25 1.67 0.00 0.00 0.00 175.76 177.82 1t8d s TRP 125 N 0.60 3.50 -0.06 0.00 1.48 0.45 -3.60 118.94 121.32 1t8d s TRP 125 Ca -0.15 0.57 0.01 0.00 -1.06 0.00 0.00 56.10 55.47 1t8d s TRP 125 Cb -0.16 -2.24 0.02 0.00 -1.16 0.00 0.00 33.47 29.93 1t8d s TRP 125 CO 0.05 0.37 -0.07 0.54 -4.06 0.00 0.00 176.95 173.78 1t8d s VAL 126 N 0.05 0.74 0.10 -0.66 0.11 -1.24 -1.31 120.40 118.19 1t8d s VAL 126 Ca 0.15 -0.23 -0.02 0.00 -2.93 0.00 0.00 61.98 58.95 1t8d s VAL 126 Cb -0.13 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1t8d s VAL 126 CO 0.04 0.28 0.06 0.00 -3.33 0.00 0.00 175.10 172.15 1t8d s ASP 128 N -2.98 2.22 0.28 0.00 1.47 0.13 0.23 116.67 118.01 1t8d s ASP 128 Ca 0.16 -0.45 -0.15 0.00 1.18 0.00 0.00 52.55 53.28 1t8d s ASP 128 Cb 0.07 -0.19 0.01 0.00 -0.34 0.00 0.00 42.92 42.47 1t8d s ASP 128 CO -0.03 0.15 0.59 0.00 0.68 0.00 0.00 175.17 176.56 1t8d s ARG 129 N -0.96 1.72 0.32 2.11 1.70 -0.65 0.94 118.95 124.13 1t8d s ARG 129 Ca 0.06 -1.20 -0.26 0.00 -0.47 0.00 0.00 55.73 53.86 1t8d s ARG 129 Cb -0.08 0.53 -0.10 0.00 -0.57 0.00 0.00 34.95 34.74 1t8d s ARG 129 CO 0.01 -0.75 0.94 -0.51 -1.08 0.00 0.00 175.30 173.91 1t8d s LEU 130 N -3.00 4.35 0.48 -1.89 2.01 -1.26 0.01 118.68 119.38 1t8d s LEU 130 Ca 0.18 1.83 -0.20 0.00 0.01 0.00 0.00 54.13 55.95 1t8d s LEU 130 Cb -0.03 -3.99 -0.12 0.00 0.01 0.00 0.00 46.19 42.06 1t8d s LEU 130 CO 0.09 -0.05 0.34 0.00 1.01 0.00 0.00 176.35 177.74 1t8d n ALA 131 N 0.61 -1.90 -2.59 4.21 0.00 -1.02 -4.77 120.51 115.05 1t8d n ALA 131 Ca 0.02 0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.11 1t8d n ALA 131 Cb 0.50 -1.68 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.69 5.12 0.00 0.00 2.01 -1.26 -4.80 115.64 115.02 1t8d s THR 132 Ca 0.63 0.54 0.00 0.00 0.31 0.00 0.00 61.69 63.17 1t8d s THR 132 Cb -0.54 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1t8d s THR 132 CO 0.59 0.04 0.17 0.00 -0.69 0.00 0.00 174.62 174.73 1t8d h THR 134 N 3.58 1.35 -1.59 0.00 2.02 -1.91 -3.44 112.91 112.91 1t8d h THR 134 Ca 0.00 -1.27 -0.63 0.00 0.77 0.00 0.00 66.41 65.28 1t8d h THR 134 Cb 1.01 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 1t8d h THR 134 CO 0.00 0.32 1.40 -2.65 0.37 0.00 0.00 175.52 174.96 1t8d n PRO 135 N -4.85 1.61 -2.18 6.66 -0.02 -1.26 -4.89 135.00 130.08 1t8d n PRO 135 Ca -0.09 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1t8d n PRO 135 Cb 0.28 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 30.93 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 5.95 3.23 0.00 0.52 0.04 -1.26 -4.84 135.00 138.63 1t8d s PRO 136 Ca 1.03 0.92 0.29 0.00 0.04 0.00 0.00 61.00 63.28 1t8d s PRO 136 Cb -0.62 -4.18 1.22 0.00 0.04 0.00 0.00 34.50 30.96 1t8d s PRO 136 CO 0.44 -2.00 1.91 0.00 0.04 0.00 0.00 177.00 177.39 1t8d n ALA 137 N 10.33 2.43 -1.77 8.56 0.00 -1.26 -3.58 120.51 135.22 1t8d n ALA 137 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1t8d n ALA 137 Cb 0.49 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.50 1t8d n ALA 137 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t8d n SER 138 N -1.47 0.23 -2.78 0.00 7.64 -1.26 -4.99 113.62 110.98 1t8d n SER 138 Ca 0.08 -1.96 -0.20 0.00 1.01 0.00 0.00 58.87 57.79 1t8d n SER 138 Cb 0.33 -0.19 0.01 0.00 -1.01 0.00 0.00 64.21 63.35 1t8d n SER 138 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1t8d n GLU 139 N -0.13 -3.24 -2.73 1.43 1.02 -1.24 -4.93 120.64 110.83 1t8d n GLU 139 Ca 0.01 0.81 -0.42 0.00 -0.02 0.00 0.00 57.16 57.54 1t8d n GLU 139 Cb 0.66 -5.55 -0.03 0.00 -0.02 0.00 0.00 31.44 26.51 1t8d n GLU 139 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1t8d s GLY 140 N -2.39 2.41 0.00 0.62 0.00 -1.26 -4.84 107.32 101.86 1t8d s GLY 140 Ca 0.17 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1t8d s GLY 140 CO 0.21 1.83 0.00 1.44 0.00 0.00 0.00 173.10 176.58 1t8d n SER 141 N 4.84 0.89 -4.56 1.64 7.64 -1.26 -4.92 113.62 117.89 1t8d n SER 141 Ca 0.07 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.60 1t8d n SER 141 Cb 0.49 0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 1t8d n SER 141 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t8d s ALA 142 N -1.20 2.30 0.00 -0.43 0.00 -1.26 -5.29 121.76 115.88 1t8d s ALA 142 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.02 1t8d s ALA 142 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.59 1t8d s ALA 142 CO 0.00 -4.08 0.00 -1.91 0.00 0.00 0.00 175.76 169.77