#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 3.25 3.71 0.23 0.00 -1.26 -5.04 105.19 106.08 1t8d n GLY 2 Ca 0.00 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.95 3.50 0.59 1.61 0.40 -1.26 -5.01 117.98 115.85 1t8d s PHE 3 Ca 0.00 1.00 -0.14 0.00 -0.60 0.00 0.00 56.93 57.18 1t8d s PHE 3 Cb 0.00 -2.67 -0.05 0.00 0.51 0.00 0.00 43.02 40.81 1t8d s PHE 3 CO 0.00 0.07 1.03 0.14 0.70 0.00 0.00 175.22 177.16 1t8d s VAL 4 N 0.94 4.28 0.00 -0.44 -7.23 -1.26 -4.68 120.40 112.02 1t8d s VAL 4 Ca 0.30 0.96 0.00 0.00 -1.81 0.00 0.00 61.98 61.43 1t8d s VAL 4 Cb -0.16 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.18 1t8d s VAL 4 CO 0.13 -0.76 0.00 0.00 -0.31 0.00 0.00 175.10 174.16 1t8d n ASN 6 N -1.40 -1.83 0.16 0.00 0.23 -1.25 -4.97 115.26 106.20 1t8d n ASN 6 Ca 0.00 -1.54 0.06 0.00 -0.53 0.00 0.00 54.58 52.57 1t8d n ASN 6 Cb 0.00 0.96 0.53 0.00 -2.08 0.00 0.00 39.78 39.18 1t8d n ASN 6 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1t8d h THR 7 N 2.76 1.07 -2.77 5.53 1.03 -1.83 -3.40 112.91 115.29 1t8d h THR 7 Ca -0.04 -0.22 -0.57 0.00 -0.01 0.00 0.00 66.41 65.57 1t8d h THR 7 Cb 1.16 0.91 -0.03 0.00 -1.07 0.00 0.00 68.15 69.11 1t8d h THR 7 CO -0.08 0.08 1.23 0.00 -0.01 0.00 0.00 175.52 176.74 1t8d n PRO 9 N 8.39 0.00 0.00 0.00 -0.04 -1.26 -4.84 135.00 137.25 1t8d n PRO 9 Ca 0.21 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1t8d n PRO 9 Cb 0.47 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 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 -1.79 0.00 0.00 0.54 2.13 -1.26 -4.88 120.64 115.38 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 -0.59 0.00 -1.46 5.31 5.02 -1.26 -4.62 118.16 120.56 1t8d n LYS 11 Ca 0.00 0.70 -0.53 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 33.47 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 -2.39 0.14 -4.24 2.13 8.01 -1.26 -4.43 117.44 115.40 1t8d n TRP 12 Ca 0.00 0.99 -0.24 0.00 -1.31 0.00 0.00 57.50 56.94 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 -0.51 0.92 0.11 -0.99 1.01 0.52 -4.06 121.20 118.20 1t8d s ILE 13 Ca 0.76 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.14 1t8d s ILE 13 Cb -1.07 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1t8d s ILE 13 CO 0.56 0.32 0.14 0.21 0.00 0.00 0.00 174.94 176.18 1t8d s ASN 14 N 1.11 5.76 0.00 3.58 3.84 -1.26 0.91 114.94 128.87 1t8d s ASN 14 Ca -0.07 0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.03 1t8d s ASN 14 Cb -0.14 -1.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.96 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 -0.21 0.43 3.72 0.13 -4.96 117.46 116.68 1t8d n PHE 15 Ca -0.08 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.34 1t8d n PHE 15 Cb 0.53 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.18 1t8d n PHE 15 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1t8d h GLN 16 N 0.00 0.19 0.00 -1.08 -0.00 -2.04 -3.40 115.11 108.78 1t8d h GLN 16 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1t8d h GLN 16 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.44 1t8d h GLN 16 CO 0.00 0.12 0.00 2.89 -0.00 0.00 0.00 178.83 181.84 1t8d n ARG 17 N -5.20 0.00 -4.29 0.06 1.85 -1.26 -5.13 116.66 102.69 1t8d n ARG 17 Ca 0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.70 1t8d n ARG 17 Cb 0.36 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.68 1t8d n ARG 17 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1t8d s LYS 18 N 0.00 2.18 0.21 2.89 -2.85 -1.26 -2.33 119.74 118.58 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 -2.17 -0.05 0.00 -2.06 0.00 0.00 37.83 33.55 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 -3.25 1.83 -0.22 0.00 1.51 0.26 -1.58 117.35 115.89 1t8d s TYR 20 Ca 0.24 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1t8d s TYR 20 Cb 0.03 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1t8d s TYR 20 CO 0.07 0.30 -0.09 0.71 -1.11 0.00 0.00 175.55 175.43 1t8d s TYR 21 N -1.81 2.96 -0.42 2.71 2.02 0.61 -0.36 117.35 123.07 1t8d s TYR 21 Ca 0.13 -1.39 0.08 0.00 -0.37 0.00 0.00 57.07 55.53 1t8d s TYR 21 Cb -0.07 -2.04 0.42 0.00 -0.40 0.00 0.00 41.96 39.87 1t8d s TYR 21 CO 0.06 -0.69 1.04 1.19 -1.57 0.00 0.00 175.55 175.58 1t8d n PHE 22 N 4.70 2.84 -1.99 2.71 3.72 -1.26 -1.58 117.46 126.60 1t8d n PHE 22 Ca -0.18 -3.16 -0.29 0.00 -0.05 0.00 0.00 57.45 53.77 1t8d n PHE 22 Cb 0.49 -0.20 0.16 0.00 -0.94 0.00 0.00 39.48 38.99 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 -3.40 1.75 -0.08 1.37 0.00 -0.38 -4.65 107.32 101.93 1t8d s GLY 23 Ca 0.43 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 1t8d s GLY 23 CO -0.13 -0.46 -0.02 -1.59 0.00 0.00 0.00 173.10 170.90 1t8d s LYS 24 N -5.77 2.94 0.00 2.90 -2.85 -1.26 -0.55 119.74 115.15 1t8d s LYS 24 Ca 0.71 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 1t8d s LYS 24 Cb -0.05 -2.73 0.00 0.00 -2.06 0.00 0.00 37.83 32.99 1t8d s LYS 24 CO 0.51 0.67 0.00 0.41 0.10 0.00 0.00 175.35 177.04 1t8d n GLY 25 N 2.24 -1.50 3.75 0.59 0.00 -0.14 -4.62 105.19 105.50 1t8d n GLY 25 Ca -0.18 0.94 -0.41 0.00 0.00 0.00 0.00 46.02 46.36 1t8d n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1t8d s THR 26 N 0.00 2.78 0.00 2.61 -1.32 -1.23 -4.14 115.64 114.34 1t8d s THR 26 Ca 0.00 0.67 0.00 0.00 -1.21 0.00 0.00 61.69 61.15 1t8d s THR 26 Cb 0.00 -3.43 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 1t8d s THR 26 CO 0.00 0.11 0.00 0.29 -2.21 0.00 0.00 174.62 172.81 1t8d n LYS 27 N 2.18 0.00 -3.89 7.08 4.76 -1.26 -4.98 118.16 122.05 1t8d n LYS 27 Ca 0.06 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.46 1t8d n LYS 27 Cb 0.41 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.62 1t8d n LYS 27 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1t8d s GLN 28 N 0.00 1.39 0.02 1.97 -0.21 -1.26 -4.94 119.66 116.63 1t8d s GLN 28 Ca 0.00 -0.90 -0.25 0.00 0.02 0.00 0.00 55.36 54.23 1t8d s GLN 28 Cb 0.00 0.38 -0.18 0.00 1.00 0.00 0.00 33.01 34.21 1t8d s GLN 28 CO 0.00 -0.65 1.43 2.35 -2.12 0.00 0.00 175.29 176.30 1t8d h TRP 29 N 2.00 0.01 -0.57 0.91 7.01 -1.99 -2.81 115.95 120.52 1t8d h TRP 29 Ca -0.28 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 60.86 1t8d h TRP 29 Cb 1.22 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.25 1t8d h TRP 29 CO 1.43 0.33 0.40 -0.39 -2.79 0.00 0.00 178.44 177.42 1t8d h VAL 30 N -0.31 0.78 0.00 2.65 -1.51 -1.97 0.35 116.25 116.23 1t8d h VAL 30 Ca 0.00 -0.05 -0.09 0.00 -1.23 0.00 0.00 66.70 65.33 1t8d h VAL 30 Cb 0.33 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 1t8d h VAL 30 CO 0.00 0.03 -0.44 -0.74 -1.23 0.00 0.00 177.57 175.18 1t8d h HIS 31 N 0.14 0.00 -0.03 5.19 2.76 -1.90 -2.30 115.15 119.01 1t8d h HIS 31 Ca 0.27 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 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 0.44 -0.04 0.00 -1.30 0.00 0.00 177.93 177.03 1t8d h ALA 32 N 1.56 0.04 -0.83 5.26 0.00 -0.07 -1.81 119.26 123.41 1t8d h ALA 32 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1t8d h ALA 32 Cb 0.89 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1t8d h ALA 32 CO 0.06 -0.16 0.47 0.07 0.00 0.00 0.00 179.25 179.69 1t8d h ARG 33 N -0.43 1.15 -0.37 0.00 -0.00 -1.46 -0.84 114.38 112.44 1t8d h ARG 33 Ca 0.00 -0.12 -0.04 0.00 -0.00 0.00 0.00 59.98 59.82 1t8d h ARG 33 Cb 0.58 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.97 30.30 1t8d h ARG 33 CO 0.01 0.84 0.07 1.88 -0.00 0.00 0.00 179.97 182.76 1t8d h TYR 34 N 1.16 0.55 -0.38 4.08 0.05 -1.40 -1.35 116.97 119.68 1t8d h TYR 34 Ca 0.30 -0.04 -0.11 0.00 0.05 0.00 0.00 58.73 58.93 1t8d h TYR 34 Cb 0.01 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 1t8d h TYR 34 CO 0.01 0.50 -0.19 0.00 -1.05 0.00 0.00 178.16 177.42 1t8d h ALA 35 N 1.55 0.95 -0.12 3.88 0.00 -0.30 -2.66 119.26 122.55 1t8d h ALA 35 Ca 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1t8d h ALA 35 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1t8d h ALA 35 CO 0.00 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1t8d h ASP 37 N 0.05 0.56 0.88 0.00 3.58 -1.22 0.61 116.42 120.87 1t8d h ASP 37 Ca 0.06 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 1t8d h ASP 37 Cb 0.07 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1t8d h ASP 37 CO -0.10 0.34 -0.26 0.44 -2.88 0.00 0.00 179.24 176.79 1t8d h ASP 38 N 0.63 0.00 0.01 2.28 5.19 -0.94 -2.61 116.42 120.98 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 0.26 -0.57 0.23 -3.12 0.00 0.00 179.24 175.92 1t8d n MET 39 N -3.44 0.93 -2.91 3.56 2.81 0.56 -4.98 117.12 113.64 1t8d n MET 39 Ca -0.00 -0.76 -0.11 0.00 -1.81 0.00 0.00 57.70 55.02 1t8d n MET 39 Cb 0.44 -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 -0.37 -4.13 0.00 0.03 4.71 0.18 -4.93 120.64 116.13 1t8d n GLU 40 Ca 0.08 0.51 0.00 0.00 -0.01 0.00 0.00 57.16 57.74 1t8d n GLU 40 Cb 0.43 -4.53 0.00 0.00 -1.01 0.00 0.00 31.44 26.33 1t8d n GLU 40 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1t8d n GLY 41 N -1.14 3.80 3.47 0.62 0.00 -0.42 -4.59 105.19 106.93 1t8d n GLY 41 Ca -0.14 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 3.48 1.13 -0.37 1.61 0.74 0.23 -4.74 119.66 121.75 1t8d s GLN 42 Ca 0.00 -0.43 -0.29 0.00 0.05 0.00 0.00 55.36 54.69 1t8d s GLN 42 Cb 0.00 0.51 0.01 0.00 1.10 0.00 0.00 33.01 34.63 1t8d s GLN 42 CO 0.00 -0.50 1.35 -1.17 -0.55 0.00 0.00 175.29 174.42 1t8d s LEU 43 N -2.66 3.72 0.00 3.68 2.96 -1.26 0.17 118.68 125.29 1t8d s LEU 43 Ca 0.03 0.98 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 1t8d s LEU 43 Cb -0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1t8d s LEU 43 CO -0.11 -1.26 0.00 1.33 -1.32 0.00 0.00 176.35 174.99 1t8d n VAL 44 N 6.67 0.00 -2.96 1.68 0.24 -1.25 -3.05 118.33 119.66 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 0.47 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 -1.20 -2.14 0.00 0.00 176.83 173.49 1t8d n SER 45 N -0.18 -2.54 -4.55 -1.34 7.64 -1.26 -4.66 113.62 106.73 1t8d n SER 45 Ca 0.00 -0.38 -0.42 0.00 1.01 0.00 0.00 58.87 59.07 1t8d n SER 45 Cb 0.00 -3.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.78 1t8d n SER 45 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1t8d n ILE 46 N -3.19 2.15 -0.88 0.44 -5.35 -1.26 -4.86 119.36 106.41 1t8d n ILE 46 Ca -0.15 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 1t8d n ILE 46 Cb 0.59 -0.89 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 1t8d n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t8d n HIS 47 N -0.46 0.00 -4.40 4.28 1.44 -1.26 -4.90 115.22 109.92 1t8d n HIS 47 Ca 0.10 -0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.48 1t8d n HIS 47 Cb 0.37 -0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.32 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 -0.00 3.20 0.56 4.39 0.15 -1.26 -4.78 113.70 115.96 1t8d s SER 48 Ca 0.00 -0.61 0.37 0.00 0.70 0.00 0.00 55.95 56.41 1t8d s SER 48 Cb 0.00 -1.48 1.52 0.00 -1.71 0.00 0.00 66.02 64.35 1t8d s SER 48 CO 0.00 0.04 1.73 -0.65 1.20 0.00 0.00 173.24 175.56 1t8d h PRO 49 N 7.61 0.00 -0.06 5.44 0.11 -1.99 0.47 132.00 143.58 1t8d h PRO 49 Ca -0.39 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 1t8d h PRO 49 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1t8d h PRO 49 CO 0.59 0.00 -0.28 1.49 -0.21 0.00 0.00 178.00 179.59 1t8d h GLU 50 N 0.00 0.30 -0.27 1.05 4.81 -1.97 -1.76 114.58 116.74 1t8d h GLU 50 Ca 0.58 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1t8d h GLU 50 Cb 2.44 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.86 1t8d h GLU 50 CO -0.01 0.88 0.12 0.93 -0.73 0.00 0.00 179.01 180.20 1t8d h GLU 51 N -0.21 0.39 -0.80 1.92 5.08 -0.55 0.72 114.58 121.14 1t8d h GLU 51 Ca -0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1t8d h GLU 51 Cb 0.93 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 1t8d h GLU 51 CO 0.06 0.41 0.45 -0.56 -1.00 0.00 0.00 179.01 178.37 1t8d h GLN 52 N 0.29 1.10 -0.22 2.33 -0.00 -1.23 -1.39 115.11 115.99 1t8d h GLN 52 Ca 0.09 -0.12 -0.11 0.00 -0.00 0.00 0.00 58.65 58.51 1t8d h GLN 52 Cb 0.15 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.48 27.40 1t8d h GLN 52 CO -0.01 0.80 -0.32 0.22 -0.00 0.00 0.00 178.83 179.52 1t8d h ASP 53 N 1.10 0.47 0.09 0.06 3.58 -0.99 0.11 116.42 120.84 1t8d h ASP 53 Ca 0.28 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1t8d h ASP 53 Cb 0.01 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 1t8d h ASP 53 CO -0.05 0.76 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.75 1t8d h PHE 54 N 0.39 -0.17 -0.07 0.28 0.04 0.15 0.47 116.94 118.03 1t8d h PHE 54 Ca 0.05 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.63 1t8d h PHE 54 Cb 0.76 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.97 1t8d h PHE 54 CO 0.02 -0.10 -0.74 1.37 -0.60 0.00 0.00 178.31 178.26 1t8d h LEU 55 N -0.16 0.48 -1.09 1.54 8.10 -1.28 -1.58 115.31 121.33 1t8d h LEU 55 Ca -0.00 -0.32 0.00 0.00 0.11 0.00 0.00 57.88 57.67 1t8d h LEU 55 Cb 0.14 -0.14 -0.04 0.00 -0.44 0.00 0.00 40.66 40.18 1t8d h LEU 55 CO -0.00 1.06 0.55 0.74 -4.11 0.00 0.00 178.44 176.68 1t8d h THR 56 N 0.27 1.23 -0.03 0.15 2.02 -0.45 0.40 112.91 116.50 1t8d h THR 56 Ca -0.03 -0.47 -0.20 0.00 0.77 0.00 0.00 66.41 66.47 1t8d h THR 56 Cb 1.32 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1t8d h THR 56 CO 0.13 0.24 -0.84 0.50 0.37 0.00 0.00 175.52 175.91 1t8d h LYS 57 N 1.19 0.38 0.00 6.66 3.64 0.04 -3.02 116.57 125.46 1t8d h LYS 57 Ca 0.32 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 1t8d h LYS 57 Cb -0.09 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1t8d h LYS 57 CO -0.06 1.03 -0.35 1.25 -2.27 0.00 0.00 179.45 179.04 1t8d h HIS 58 N 0.23 0.00 -2.21 1.91 2.76 -0.22 -3.40 115.15 114.23 1t8d h HIS 58 Ca -0.05 0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 57.60 1t8d h HIS 58 Cb 1.45 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.36 1t8d h HIS 58 CO 0.05 0.35 1.22 0.00 -1.30 0.00 0.00 177.93 178.25 1t8d s ALA 59 N -4.13 2.45 0.00 5.26 0.00 0.13 -4.92 121.76 120.55 1t8d s ALA 59 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1t8d s ALA 59 Cb 0.14 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1t8d s ALA 59 CO 0.71 -3.56 0.39 0.45 0.00 0.00 0.00 175.76 173.74 1t8d n SER 60 N 11.18 0.00 -0.02 0.00 2.88 -1.26 -4.64 113.62 121.76 1t8d n SER 60 Ca 0.13 0.39 0.01 0.00 -1.33 0.00 0.00 58.87 58.07 1t8d n SER 60 Cb 0.51 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 1t8d n SER 60 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1t8d n HIS 61 N -0.42 0.00 -3.59 0.66 8.25 -1.26 -4.98 115.22 113.89 1t8d n HIS 61 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1t8d n HIS 61 Cb 0.00 -0.27 -0.07 0.00 1.12 0.00 0.00 29.99 30.76 1t8d n HIS 61 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1t8d s THR 62 N -2.44 5.33 0.00 1.59 -4.23 -1.26 -5.02 115.64 109.61 1t8d s THR 62 Ca -0.03 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1t8d s THR 62 Cb 0.04 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1t8d s THR 62 CO 0.35 0.39 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 1t8d n GLY 63 N 3.48 -2.99 3.21 3.99 0.00 -1.26 -4.65 105.19 106.98 1t8d n GLY 63 Ca -0.13 -1.32 -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 -1.75 1.33 -0.14 1.61 1.04 -0.95 -3.69 113.70 111.15 1t8d s SER 64 Ca 0.00 -1.04 -0.04 0.00 0.48 0.00 0.00 55.95 55.35 1t8d s SER 64 Cb 0.00 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 1t8d s SER 64 CO 0.00 -0.45 -0.02 0.26 0.98 0.00 0.00 173.24 174.01 1t8d s TRP 65 N -3.55 3.07 0.36 5.02 0.51 -1.23 -1.93 118.94 121.20 1t8d s TRP 65 Ca 0.16 -0.13 0.08 0.00 -2.12 0.00 0.00 56.10 54.08 1t8d s TRP 65 Cb 0.05 -1.93 -0.05 0.00 -0.81 0.00 0.00 33.47 30.73 1t8d s TRP 65 CO -0.02 0.11 0.13 0.96 -0.51 0.00 0.00 176.95 177.62 1t8d s ILE 66 N 0.05 2.69 -0.83 2.03 -4.36 -1.25 -4.17 121.20 115.37 1t8d s ILE 66 Ca 0.01 -1.75 -0.07 0.00 -0.26 0.00 0.00 60.65 58.58 1t8d s ILE 66 Cb -0.13 -2.94 -0.13 0.00 1.25 0.00 0.00 42.46 40.51 1t8d s ILE 66 CO 0.02 -0.12 2.76 0.61 0.24 0.00 0.00 174.94 178.45 1t8d n GLY 67 N -1.14 3.33 3.06 6.27 0.00 -1.17 -4.70 105.19 110.84 1t8d n GLY 67 Ca -0.03 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 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 0.09 1.74 -0.04 0.99 1.98 -1.26 -1.87 118.68 120.31 1t8d s LEU 68 Ca 0.56 -0.42 -0.02 0.00 -2.89 0.00 0.00 54.13 51.36 1t8d s LEU 68 Cb 0.19 -1.08 0.03 0.00 0.66 0.00 0.00 46.19 45.99 1t8d s LEU 68 CO -0.03 0.03 0.05 -0.60 -1.89 0.00 0.00 176.35 173.91 1t8d s ARG 69 N 0.88 0.03 0.52 1.98 3.00 0.14 -3.43 118.95 122.08 1t8d s ARG 69 Ca -0.09 0.31 -0.15 0.00 -1.00 0.00 0.00 55.73 54.80 1t8d s ARG 69 Cb -0.15 -0.54 -0.07 0.00 0.00 0.00 0.00 34.95 34.18 1t8d s ARG 69 CO 0.00 -0.30 0.98 0.54 0.00 0.00 0.00 175.30 176.52 1t8d s ASN 70 N 1.99 6.56 0.00 -2.12 4.22 0.19 -1.07 114.94 124.71 1t8d s ASN 70 Ca 0.03 1.52 0.00 0.00 -2.14 0.00 0.00 52.86 52.27 1t8d s ASN 70 Cb -0.12 -2.49 0.00 0.00 1.28 0.00 0.00 41.25 39.92 1t8d s ASN 70 CO -0.03 -0.62 0.49 0.18 -2.04 0.00 0.00 177.10 175.08 1t8d n LEU 71 N -1.74 0.31 -3.69 3.54 4.77 -0.94 -4.62 117.00 114.63 1t8d n LEU 71 Ca 0.06 0.49 -0.28 0.00 -0.03 0.00 0.00 56.01 56.26 1t8d n LEU 71 Cb 0.54 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 1t8d n LEU 71 CO 0.48 -0.05 -0.15 0.47 -1.33 0.00 0.00 177.39 176.82 1t8d n ASP 72 N -0.65 1.63 0.00 -1.43 8.00 -1.26 -4.93 116.55 117.91 1t8d n ASP 72 Ca 0.00 -2.88 0.00 0.00 0.71 0.00 0.00 54.79 52.62 1t8d n ASP 72 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1t8d n ASP 72 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1t8d n LEU 73 N 2.28 0.00 -0.32 0.64 4.32 -1.26 -2.15 117.00 120.51 1t8d n LEU 73 Ca 0.24 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.29 1t8d n LEU 73 Cb 0.40 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.43 1t8d n LEU 73 CO 0.20 0.00 0.67 0.29 -1.22 0.00 0.00 177.39 177.32 1t8d n LYS 74 N 0.00 1.41 0.00 3.23 5.02 -1.24 -4.57 118.16 122.01 1t8d n LYS 74 Ca 0.00 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 1t8d n LYS 74 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.86 -2.44 3.77 0.72 0.00 -0.91 -4.99 105.19 102.20 1t8d n GLY 75 Ca 0.10 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.13 4.32 -0.12 1.61 0.41 -1.26 -4.70 118.70 117.83 1t8d s GLU 76 Ca 0.00 0.75 -0.29 0.00 -0.41 0.00 0.00 54.97 55.02 1t8d s GLU 76 Cb 0.00 -3.33 -0.03 0.00 -1.78 0.00 0.00 34.13 28.98 1t8d s GLU 76 CO 0.00 0.39 1.43 -0.06 -0.49 0.00 0.00 175.26 176.53 1t8d s PHE 77 N -0.27 2.47 0.00 1.61 0.40 -1.26 -2.22 117.98 118.71 1t8d s PHE 77 Ca 0.31 0.65 0.08 0.00 -0.60 0.00 0.00 56.93 57.37 1t8d s PHE 77 Cb -0.18 -3.68 -0.02 0.00 0.51 0.00 0.00 43.02 39.64 1t8d s PHE 77 CO 0.18 -2.63 -0.24 0.42 0.70 0.00 0.00 175.22 173.64 1t8d s ILE 78 N 3.73 1.93 0.54 0.64 1.01 -0.23 -2.52 121.20 126.30 1t8d s ILE 78 Ca 0.63 -1.13 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 1t8d s ILE 78 Cb -0.27 -1.62 -0.06 0.00 0.01 0.00 0.00 42.46 40.52 1t8d s ILE 78 CO 0.21 0.47 1.06 0.26 0.00 0.00 0.00 174.94 176.94 1t8d s TRP 79 N -0.64 2.94 0.59 3.97 0.52 0.05 0.29 118.94 126.66 1t8d s TRP 79 Ca 0.10 1.55 0.29 0.00 0.02 0.00 0.00 56.10 58.05 1t8d s TRP 79 Cb -0.09 -3.07 1.74 0.00 -1.15 0.00 0.00 33.47 30.89 1t8d s TRP 79 CO -0.00 -1.04 2.20 -0.24 0.02 0.00 0.00 176.95 177.89 1t8d h VAL 80 N 1.07 0.54 0.00 4.03 3.04 -1.69 0.29 116.25 123.53 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 31.45 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 -3.87 0.00 -0.07 3.17 2.03 -1.26 -4.87 116.55 111.68 1t8d n ASP 81 Ca -0.01 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.92 1t8d n ASP 81 Cb 0.16 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.91 2.93 0.27 0.00 0.10 -5.07 105.19 105.26 1t8d n GLY 82 Ca 0.16 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.68 2.26 0.60 1.61 0.01 -1.22 -4.90 113.70 109.39 1t8d s SER 83 Ca 0.00 -0.34 -0.19 0.00 1.31 0.00 0.00 55.95 56.73 1t8d s SER 83 Cb 0.00 -0.91 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 1t8d s SER 83 CO 0.00 -0.10 1.02 0.00 0.41 0.00 0.00 173.24 174.57 1t8d n HIS 84 N 4.85 1.02 -1.28 2.43 1.44 -1.26 -0.77 115.22 121.65 1t8d n HIS 84 Ca -0.14 0.44 -0.36 0.00 -2.01 0.00 0.00 57.72 55.65 1t8d n HIS 84 Cb 0.50 -2.17 0.08 0.00 0.12 0.00 0.00 29.99 28.53 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 -1.69 2.21 -0.02 0.61 0.31 -1.05 -4.78 118.33 113.92 1t8d n VAL 85 Ca 0.14 -0.37 -0.03 0.00 -0.01 0.00 0.00 64.34 64.07 1t8d n VAL 85 Cb 0.47 -0.93 -0.01 0.00 -0.91 0.00 0.00 33.84 32.46 1t8d n VAL 85 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1t8d n ASP 86 N -1.12 0.47 -0.06 4.52 8.00 -1.26 -4.93 116.55 122.18 1t8d n ASP 86 Ca 0.11 0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.56 1t8d n ASP 86 Cb 0.50 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 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 -3.10 0.00 -1.43 1.24 4.01 -1.26 -5.14 117.16 111.48 1t8d n TYR 87 Ca -0.06 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.72 1t8d n TYR 87 Cb 0.54 -0.45 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 1t8d n TYR 87 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1t8d n SER 88 N -3.01 -7.74 0.00 7.72 7.64 -1.26 -4.97 113.62 111.99 1t8d n SER 88 Ca -0.22 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.32 1t8d n SER 88 Cb 0.71 -4.67 0.00 0.00 -1.01 0.00 0.00 64.21 59.24 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 -2.99 0.03 -3.94 6.43 3.02 -1.26 -5.07 115.26 111.47 1t8d n ASN 89 Ca -0.02 -0.28 -0.56 0.00 -0.03 0.00 0.00 54.58 53.69 1t8d n ASN 89 Cb 0.50 0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 39.65 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 -0.09 1.09 -1.33 3.10 4.27 -1.26 -3.68 117.44 119.54 1t8d n TRP 90 Ca 0.00 0.72 -0.52 0.00 -3.89 0.00 0.00 57.50 53.81 1t8d n TRP 90 Cb 0.05 -2.11 -0.07 0.00 -1.36 0.00 0.00 31.31 27.82 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 6.83 -3.29 0.08 -1.67 0.00 0.67 -4.89 120.51 118.24 1t8d n ALA 91 Ca 0.50 0.53 -0.21 0.00 0.00 0.00 0.00 53.44 54.26 1t8d n ALA 91 Cb -0.04 -1.56 -0.15 0.00 0.00 0.00 0.00 19.45 17.70 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 2.60 0.36 -0.93 0.00 0.13 -1.91 -3.33 132.00 128.92 1t8d h PRO 92 Ca -0.45 -0.62 -0.16 0.00 -0.87 0.00 0.00 66.00 63.90 1t8d h PRO 92 Cb 1.27 0.23 -0.10 0.00 0.13 0.00 0.00 31.00 32.54 1t8d h PRO 92 CO 0.58 1.26 0.21 0.41 -0.23 0.00 0.00 178.00 180.23 1t8d n GLY 93 N 1.77 2.86 2.81 1.56 0.00 -1.26 -4.58 105.19 108.35 1t8d n GLY 93 Ca -0.20 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.09 1.91 0.00 1.61 2.13 -1.25 -4.99 120.64 119.96 1t8d n GLU 94 Ca 0.23 -4.49 0.00 0.00 0.66 0.00 0.00 57.16 53.56 1t8d n GLU 94 Cb 0.94 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 30.39 1t8d n GLU 94 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1t8d n PRO 95 N 1.80 0.00 -2.11 5.31 -0.04 -1.26 -4.87 135.00 133.82 1t8d n PRO 95 Ca 0.22 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.55 1t8d n PRO 95 Cb 0.36 -0.89 -0.03 0.00 -0.04 0.00 0.00 33.50 32.90 1t8d n PRO 95 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1t8d n THR 96 N -0.61 -0.52 -2.72 0.52 -1.04 -1.26 -3.71 114.28 104.94 1t8d n THR 96 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1t8d n THR 96 Cb 0.00 -2.07 -0.02 0.00 -1.82 0.00 0.00 70.33 66.42 1t8d n THR 96 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1t8d n SER 97 N -1.55 -5.22 -2.03 8.00 2.88 -1.26 -4.80 113.62 109.64 1t8d n SER 97 Ca -0.18 1.33 -0.14 0.00 -1.33 0.00 0.00 58.87 58.54 1t8d n SER 97 Cb 0.61 -4.95 -0.08 0.00 -0.75 0.00 0.00 64.21 59.04 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 1.18 1.91 -0.09 -1.46 1.85 -1.24 -4.06 116.66 114.75 1t8d n ARG 98 Ca -0.15 -1.25 0.08 0.00 -1.00 0.00 0.00 57.85 55.53 1t8d n ARG 98 Cb 0.27 -1.81 0.12 0.00 -1.05 0.00 0.00 32.46 29.99 1t8d n ARG 98 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1t8d n SER 99 N 1.62 2.74 -0.10 2.89 2.88 -1.26 -4.50 113.62 117.89 1t8d n SER 99 Ca 0.35 -1.80 -0.11 0.00 -1.33 0.00 0.00 58.87 55.98 1t8d n SER 99 Cb 0.71 -0.12 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1t8d n SER 99 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1t8d h GLN 100 N 3.24 0.51 0.00 -1.46 7.50 -1.94 -3.48 115.11 119.47 1t8d h GLN 100 Ca 0.00 -0.17 0.00 0.00 0.50 0.00 0.00 58.65 58.98 1t8d h GLN 100 Cb 0.75 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.24 1t8d h GLN 100 CO 0.00 0.67 0.00 0.41 -1.50 0.00 0.00 178.83 178.41 1t8d n GLY 101 N -0.30 1.98 2.49 3.46 0.00 -1.26 -4.95 105.19 106.62 1t8d n GLY 101 Ca -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.34 -0.00 1.61 4.71 -1.26 -3.65 120.64 118.70 1t8d n GLU 102 Ca 0.00 2.67 0.04 0.00 -0.01 0.00 0.00 57.16 59.86 1t8d n GLU 102 Cb 0.00 -4.64 -0.06 0.00 -1.01 0.00 0.00 31.44 25.73 1t8d n GLU 102 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1t8d n ASP 103 N 0.91 2.20 -3.97 1.62 9.92 -1.25 -4.00 116.55 121.98 1t8d n ASP 103 Ca -0.13 -0.24 -0.10 0.00 -0.53 0.00 0.00 54.79 53.78 1t8d n ASP 103 Cb 0.21 1.24 -0.06 0.00 -0.64 0.00 0.00 41.12 41.86 1t8d n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t8d s VAL 105 N -3.95 2.40 0.39 0.00 1.01 -1.22 -2.01 120.40 117.01 1t8d s VAL 105 Ca 0.28 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1t8d s VAL 105 Cb 0.01 -1.90 -0.07 0.00 0.00 0.00 0.00 36.38 34.42 1t8d s VAL 105 CO 0.11 0.57 0.01 0.00 0.00 0.00 0.00 175.10 175.79 1t8d s MET 106 N -0.28 1.98 -0.08 2.72 0.23 -0.08 -3.85 119.30 119.93 1t8d s MET 106 Ca 0.00 -2.00 0.03 0.00 -1.03 0.00 0.00 55.69 52.70 1t8d s MET 106 Cb -0.13 -1.73 0.01 0.00 -1.53 0.00 0.00 34.83 31.45 1t8d s MET 106 CO 0.03 0.00 -0.18 1.41 -2.03 0.00 0.00 175.02 174.25 1t8d s MET 107 N -3.71 2.36 0.00 3.16 1.75 -0.81 0.71 119.30 122.76 1t8d s MET 107 Ca 0.35 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 54.14 1t8d s MET 107 Cb 0.06 -1.85 0.00 0.00 2.84 0.00 0.00 34.83 35.88 1t8d s MET 107 CO 0.18 0.11 0.00 -2.13 -0.65 0.00 0.00 175.02 172.54 1t8d n ARG 108 N 3.63 -1.21 0.00 4.11 0.63 -0.71 -2.24 116.66 120.87 1t8d n ARG 108 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1t8d n ARG 108 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1t8d n ARG 108 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t8d n GLY 109 N 0.00 1.21 0.40 5.14 0.00 -1.26 -3.29 105.19 107.39 1t8d n GLY 109 Ca 0.00 -0.58 0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 2.04 0.38 0.00 1.61 0.02 -2.01 -3.44 113.55 112.16 1t8d h SER 110 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1t8d h SER 110 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1t8d h SER 110 CO 0.00 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 1t8d n GLY 111 N -1.53 0.41 0.00 -3.77 0.00 -1.21 -5.13 105.19 93.97 1t8d n GLY 111 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.88 -4.05 1.61 0.00 -1.21 -4.73 116.66 109.17 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 1.99 2.96 -0.06 2.89 0.52 -1.24 -1.75 118.94 124.25 1t8d s TRP 113 Ca 0.00 -0.21 -0.03 0.00 0.02 0.00 0.00 56.10 55.89 1t8d s TRP 113 Cb 0.00 -1.51 0.04 0.00 -1.15 0.00 0.00 33.47 30.85 1t8d s TRP 113 CO 0.00 0.42 0.11 -0.80 0.02 0.00 0.00 176.95 176.70 1t8d s ASN 114 N -3.87 0.93 -0.55 2.95 0.02 0.22 -0.24 114.94 114.40 1t8d s ASN 114 Ca 0.35 0.21 -0.22 0.00 -1.02 0.00 0.00 52.86 52.19 1t8d s ASN 114 Cb -0.07 0.07 0.06 0.00 0.02 0.00 0.00 41.25 41.33 1t8d s ASN 114 CO 0.25 -0.25 0.81 -0.62 0.02 0.00 0.00 177.10 177.31 1t8d s ASP 115 N 2.21 6.26 0.16 -1.22 2.15 -1.26 -0.91 116.67 124.07 1t8d s ASP 115 Ca 0.04 -0.72 -0.19 0.00 0.43 0.00 0.00 52.55 52.11 1t8d s ASP 115 Cb -0.12 -2.37 0.05 0.00 -0.30 0.00 0.00 42.92 40.18 1t8d s ASP 115 CO -0.04 -1.12 0.52 0.00 -0.17 0.00 0.00 175.17 174.36 1t8d s ALA 116 N 3.39 -1.21 0.30 3.66 0.00 -0.85 -4.82 121.76 122.23 1t8d s ALA 116 Ca 0.22 0.11 -0.25 0.00 0.00 0.00 0.00 51.96 52.04 1t8d s ALA 116 Cb -0.16 0.81 -0.16 0.00 0.00 0.00 0.00 23.12 23.61 1t8d s ALA 116 CO 0.14 -0.75 0.35 0.34 0.00 0.00 0.00 175.76 175.84 1t8d n PHE 117 N -0.32 -1.14 -1.39 0.00 -0.00 -1.26 -3.16 117.46 110.19 1t8d n PHE 117 Ca -0.14 0.81 -0.42 0.00 -0.00 0.00 0.00 57.45 57.69 1t8d n PHE 117 Cb 0.64 -1.89 -0.03 0.00 -0.00 0.00 0.00 39.48 38.20 1t8d n PHE 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1t8d n ASP 119 N 6.65 -1.05 0.00 0.00 2.03 -1.26 -4.43 116.55 118.49 1t8d n ASP 119 Ca 0.51 -1.59 0.00 0.00 0.52 0.00 0.00 54.79 54.23 1t8d n ASP 119 Cb 0.38 0.94 0.00 0.00 -0.72 0.00 0.00 41.12 41.73 1t8d n ASP 119 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1t8d n ARG 120 N -0.49 0.00 -2.67 -0.67 3.00 -1.25 -5.04 116.66 109.54 1t8d n ARG 120 Ca -0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.54 1t8d n ARG 120 Cb 0.63 -0.08 0.09 0.00 0.00 0.00 0.00 32.46 33.10 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 -0.25 0.18 -1.03 -0.14 0.00 -1.26 -5.17 118.16 110.48 1t8d n LYS 121 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 58.31 57.51 1t8d n LYS 121 Cb 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 35.03 34.79 1t8d n LYS 121 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1t8d n LEU 122 N 1.09 0.00 -0.16 3.14 4.32 -1.26 -4.78 117.00 119.36 1t8d n LEU 122 Ca -0.01 -0.36 0.00 0.00 -0.02 0.00 0.00 56.01 55.62 1t8d n LEU 122 Cb 0.72 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 1t8d n LEU 122 CO -0.11 -0.57 0.08 0.61 -1.22 0.00 0.00 177.39 176.18 1t8d n GLY 123 N 3.77 0.50 3.03 -0.72 0.00 -1.26 -4.62 105.19 105.90 1t8d n GLY 123 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1t8d n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t8d s ALA 124 N 0.00 -0.51 -0.17 4.61 0.00 -1.24 -0.96 121.76 123.48 1t8d s ALA 124 Ca 0.00 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 52.82 1t8d s ALA 124 Cb 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 1t8d s ALA 124 CO 0.00 -0.19 0.12 1.67 0.00 0.00 0.00 175.76 177.36 1t8d s TRP 125 N 1.24 3.43 -0.05 0.00 1.48 0.29 -3.54 118.94 121.78 1t8d s TRP 125 Ca -0.09 0.35 0.01 0.00 -1.06 0.00 0.00 56.10 55.31 1t8d s TRP 125 Cb -0.10 -2.08 0.02 0.00 -1.16 0.00 0.00 33.47 30.14 1t8d s TRP 125 CO -0.08 0.39 -0.07 0.54 -4.06 0.00 0.00 176.95 173.67 1t8d s VAL 126 N -0.03 0.75 0.10 -0.66 0.11 -1.24 -1.25 120.40 118.17 1t8d s VAL 126 Ca 0.09 -0.24 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 1t8d s VAL 126 Cb -0.11 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1t8d s VAL 126 CO -0.00 0.27 0.04 0.00 -3.33 0.00 0.00 175.10 172.09 1t8d s ASP 128 N -2.98 2.19 0.28 0.00 1.47 0.13 0.23 116.67 117.98 1t8d s ASP 128 Ca 0.15 -0.45 -0.16 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 -0.04 0.15 0.59 0.00 0.68 0.00 0.00 175.17 176.55 1t8d s ARG 129 N -0.94 1.71 0.19 2.11 1.70 -0.62 0.76 118.95 123.86 1t8d s ARG 129 Ca 0.06 -1.20 -0.30 0.00 -0.47 0.00 0.00 55.73 53.82 1t8d s ARG 129 Cb -0.08 0.53 -0.08 0.00 -0.57 0.00 0.00 34.95 34.76 1t8d s ARG 129 CO 0.01 -0.75 0.98 -0.51 -1.08 0.00 0.00 175.30 173.95 1t8d s LEU 130 N -3.00 4.57 0.02 -1.89 2.01 -1.26 0.12 118.68 119.26 1t8d s LEU 130 Ca 0.18 1.93 -0.39 0.00 0.01 0.00 0.00 54.13 55.86 1t8d s LEU 130 Cb -0.03 -3.60 -0.19 0.00 0.01 0.00 0.00 46.19 42.37 1t8d s LEU 130 CO 0.09 0.02 1.06 0.00 1.01 0.00 0.00 176.35 178.53 1t8d n ALA 131 N 2.04 -3.35 -2.48 4.21 0.00 -0.98 -4.77 120.51 115.17 1t8d n ALA 131 Ca 0.00 0.58 -0.25 0.00 0.00 0.00 0.00 53.44 53.78 1t8d n ALA 131 Cb 0.48 -1.78 -0.08 0.00 0.00 0.00 0.00 19.45 18.06 1t8d n ALA 131 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1t8d s THR 132 N -0.03 0.52 0.25 0.00 -4.23 -1.26 -4.88 115.64 106.02 1t8d s THR 132 Ca 0.88 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 59.18 1t8d s THR 132 Cb -1.22 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 70.28 1t8d s THR 132 CO 0.56 0.00 0.77 0.00 -0.54 0.00 0.00 174.62 175.41 1t8d n THR 134 N -0.46 -0.14 -0.32 0.00 -2.24 -1.26 -4.93 114.28 104.93 1t8d n THR 134 Ca -0.04 -3.97 0.09 0.00 -2.27 0.00 0.00 64.05 57.85 1t8d n THR 134 Cb 0.59 -1.85 0.21 0.00 -2.10 0.00 0.00 70.33 67.17 1t8d n THR 134 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1t8d h PRO 135 N 5.53 0.03 -5.63 -0.78 0.10 -1.96 -3.38 132.00 125.89 1t8d h PRO 135 Ca 0.22 -0.00 -0.51 0.00 0.10 0.00 0.00 66.00 65.81 1t8d h PRO 135 Cb 0.85 -0.01 -0.01 0.00 0.10 0.00 0.00 31.00 31.94 1t8d h PRO 135 CO 0.50 0.02 1.61 -2.30 0.10 0.00 0.00 178.00 177.93 1t8d n PRO 136 N -5.50 1.06 -1.94 1.05 -0.02 -1.26 -4.86 135.00 123.53 1t8d n PRO 136 Ca 0.18 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.39 1t8d n PRO 136 Cb 0.60 -3.07 -0.03 0.00 -0.02 0.00 0.00 33.50 30.98 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 10.71 2.09 1.07 3.55 0.00 -1.26 -4.97 121.76 132.96 1t8d s ALA 137 Ca 1.05 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.40 1t8d s ALA 137 Cb -0.41 -4.30 0.18 0.00 0.00 0.00 0.00 23.12 18.60 1t8d s ALA 137 CO 0.33 -3.95 0.88 -1.13 0.00 0.00 0.00 175.76 171.88 1t8d n SER 138 N 13.27 -0.71 -0.30 0.00 3.41 -1.26 -4.84 113.62 123.20 1t8d n SER 138 Ca 0.24 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1t8d n SER 138 Cb 0.52 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1t8d n SER 138 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t8d n GLU 139 N -3.37 0.00 -2.78 4.33 1.02 -1.26 -4.55 120.64 114.03 1t8d n GLU 139 Ca 0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 1t8d n GLU 139 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.80 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 -3.99 2.01 0.04 0.62 0.00 -1.26 -4.90 107.32 99.84 1t8d s GLY 140 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.83 1t8d s GLY 140 CO 0.00 1.89 -0.06 -1.14 0.00 0.00 0.00 173.10 173.79 1t8d n SER 141 N 5.57 1.14 -4.56 1.64 3.41 -1.26 -4.92 113.62 114.64 1t8d n SER 141 Ca 0.08 0.16 -0.38 0.00 -0.26 0.00 0.00 58.87 58.47 1t8d n SER 141 Cb 0.48 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1t8d n SER 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t8d s ALA 142 N -2.15 2.44 0.00 7.33 0.00 -1.26 -5.24 121.76 122.88 1t8d s ALA 142 Ca -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1t8d s ALA 142 Cb 0.01 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.72 1t8d s ALA 142 CO 0.08 -3.78 0.25 -1.91 0.00 0.00 0.00 175.76 170.39