#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lme s HIS 0 N 0.00 2.69 0.50 4.41 5.65 -1.26 -4.98 115.29 122.30 1lme s HIS 0 Ca 0.00 1.54 -0.19 0.00 0.25 0.00 0.00 55.06 56.66 1lme s HIS 0 Cb 0.00 -3.30 -0.08 0.00 -1.18 0.00 0.00 32.58 28.02 1lme s HIS 0 CO 0.00 -1.56 1.03 -1.64 -0.65 0.00 0.00 174.74 171.92 1lme s MET 1 N -3.22 3.76 0.50 2.88 1.00 -1.26 -4.92 119.30 118.04 1lme s MET 1 Ca 0.72 1.31 -0.17 0.00 0.00 0.00 0.00 55.69 57.54 1lme s MET 1 Cb -0.24 -2.09 -0.08 0.00 0.00 0.00 0.00 34.83 32.41 1lme s MET 1 CO 0.28 -0.46 0.98 0.71 0.00 0.00 0.00 175.02 176.53 1lme s TYR 2 N -2.09 3.42 -0.09 -0.03 1.51 -1.26 -5.03 117.35 113.78 1lme s TYR 2 Ca 0.66 1.50 -0.21 0.00 -1.01 0.00 0.00 57.07 58.00 1lme s TYR 2 Cb -0.16 -2.81 -0.04 0.00 -0.11 0.00 0.00 41.96 38.85 1lme s TYR 2 CO 0.23 -0.32 0.61 0.50 -1.11 0.00 0.00 175.55 175.45 1lme s ARG 3 N -3.90 4.40 -0.14 -0.62 3.52 -1.26 -5.01 118.95 115.94 1lme s ARG 3 Ca 0.60 0.71 -0.28 0.00 -0.13 0.00 0.00 55.73 56.62 1lme s ARG 3 Cb -0.10 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1lme s ARG 3 CO 0.28 0.10 0.96 0.42 -0.81 0.00 0.00 175.30 176.25 1lme s ILE 4 N 0.72 4.80 0.44 4.11 1.01 -1.26 -4.52 121.20 126.50 1lme s ILE 4 Ca 0.33 1.93 -0.24 0.00 0.00 0.00 0.00 60.65 62.67 1lme s ILE 4 Cb -0.17 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 37.96 1lme s ILE 4 CO 0.15 -0.01 1.16 -0.13 0.00 0.00 0.00 174.94 176.11 1lme s ARG 5 N 2.20 3.88 0.25 2.79 1.81 0.13 -4.98 118.95 125.03 1lme s ARG 5 Ca 0.45 1.78 0.09 0.00 -1.72 0.00 0.00 55.73 56.33 1lme s ARG 5 Cb -0.17 -2.50 -0.04 0.00 -0.45 0.00 0.00 34.95 31.78 1lme s ARG 5 CO 0.15 -0.45 0.02 0.14 -0.68 0.00 0.00 175.30 174.47 1lme s VAL 6 N -1.51 3.61 0.18 3.52 -7.23 -1.26 -4.37 120.40 113.33 1lme s VAL 6 Ca 0.61 -1.76 -0.32 0.00 -1.81 0.00 0.00 61.98 58.69 1lme s VAL 6 Cb -0.29 -2.91 -0.16 0.00 0.56 0.00 0.00 36.38 33.59 1lme s VAL 6 CO 0.36 -0.32 1.07 0.49 -0.31 0.00 0.00 175.10 176.39 1lme n PHE 7 N -0.77 1.06 0.00 2.82 0.99 -0.49 -1.31 117.46 119.76 1lme n PHE 7 Ca -0.07 0.74 0.00 0.00 -0.00 0.00 0.00 57.45 58.12 1lme n PHE 7 Cb 0.58 -2.23 0.00 0.00 -1.00 0.00 0.00 39.48 36.83 1lme n PHE 7 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1lme n GLY 8 N 1.88 2.25 3.63 1.37 0.00 -1.26 -5.05 105.19 108.01 1lme n GLY 8 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1lme n GLY 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lme s ASP 9 N -1.47 6.86 0.67 1.61 -1.08 -0.43 -4.90 116.67 117.93 1lme s ASP 9 Ca 0.00 0.93 0.35 0.00 -0.52 0.00 0.00 52.55 53.31 1lme s ASP 9 Cb 0.00 -2.53 1.90 0.00 -1.46 0.00 0.00 42.92 40.83 1lme s ASP 9 CO 0.00 -0.89 2.07 1.55 0.52 0.00 0.00 175.17 178.42 1lme h PRO 10 N 8.22 0.00 0.00 4.34 0.13 -1.97 -1.39 132.00 141.34 1lme h PRO 10 Ca -0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1lme h PRO 10 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1lme h PRO 10 CO 1.03 0.00 -0.11 -0.24 -0.23 0.00 0.00 178.00 178.44 1lme h VAL 11 N 0.00 0.91 0.00 1.56 3.04 -1.92 -0.76 116.25 119.08 1lme h VAL 11 Ca 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1lme h VAL 11 Cb 0.45 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1lme h VAL 11 CO 0.00 0.11 0.00 0.18 -1.01 0.00 0.00 177.57 176.85 1lme n LEU 12 N -4.15 0.00 -0.00 3.16 4.77 -0.52 -3.12 117.00 117.14 1lme n LEU 12 Ca -0.02 0.49 0.07 0.00 -0.03 0.00 0.00 56.01 56.52 1lme n LEU 12 Cb 0.19 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 1lme n LEU 12 CO 0.33 -0.13 -0.09 0.54 -1.33 0.00 0.00 177.39 176.71 1lme n ARG 13 N -1.49 1.78 -1.56 3.23 5.12 -0.31 -4.23 116.66 119.20 1lme n ARG 13 Ca 0.05 -0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.66 1lme n ARG 13 Cb 0.25 -1.24 0.09 0.00 -1.16 0.00 0.00 32.46 30.40 1lme n ARG 13 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1lme s LYS 14 N -2.51 2.01 -0.33 5.56 1.02 -1.12 -4.51 119.74 119.86 1lme s LYS 14 Ca 0.05 0.60 -0.15 0.00 0.02 0.00 0.00 55.97 56.49 1lme s LYS 14 Cb 0.12 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.49 1lme s LYS 14 CO 0.64 -1.66 0.34 0.50 -0.92 0.00 0.00 175.35 174.25 1lme s ARG 15 N -5.18 3.65 0.70 1.68 3.52 -1.26 -2.98 118.95 119.09 1lme s ARG 15 Ca 0.61 -0.36 -0.16 0.00 -0.13 0.00 0.00 55.73 55.69 1lme s ARG 15 Cb -0.14 -3.77 0.01 0.00 -1.56 0.00 0.00 34.95 29.49 1lme s ARG 15 CO 0.54 -0.46 1.18 0.00 -0.81 0.00 0.00 175.30 175.75 1lme n ALA 16 N 5.33 0.49 -2.81 6.12 0.00 0.44 -4.99 120.51 125.09 1lme n ALA 16 Ca -0.10 -0.12 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 1lme n ALA 16 Cb 0.50 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 1lme n ALA 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1lme s LYS 17 N -3.51 3.16 0.86 0.00 1.02 -0.38 -4.62 119.74 116.27 1lme s LYS 17 Ca 0.78 -0.44 -0.12 0.00 0.02 0.00 0.00 55.97 56.20 1lme s LYS 17 Cb -0.35 -2.92 0.08 0.00 -0.52 0.00 0.00 37.83 34.12 1lme s LYS 17 CO 0.45 0.65 0.96 -0.35 -0.92 0.00 0.00 175.35 176.15 1lme n PRO 18 N 1.12 -0.10 -3.12 -1.68 -0.04 -1.26 -0.28 135.00 129.64 1lme n PRO 18 Ca -0.12 0.04 -0.39 0.00 -0.04 0.00 0.00 63.50 62.98 1lme n PRO 18 Cb 0.53 -2.24 -0.05 0.00 -0.04 0.00 0.00 33.50 31.69 1lme n PRO 18 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1lme s VAL 19 N -2.31 4.84 -0.01 0.52 1.01 -1.26 -4.70 120.40 118.48 1lme s VAL 19 Ca 0.67 1.39 0.01 0.00 0.00 0.00 0.00 61.98 64.05 1lme s VAL 19 Cb -0.26 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1lme s VAL 19 CO 0.57 0.40 0.01 0.35 0.00 0.00 0.00 175.10 176.43 1lme n THR 20 N 2.73 0.06 -3.58 3.92 -2.24 -1.26 -4.97 114.28 108.95 1lme n THR 20 Ca -0.05 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.29 1lme n THR 20 Cb 0.51 -0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 67.82 1lme n THR 20 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1lme s LYS 21 N -2.03 3.56 -0.99 -0.78 1.02 -1.26 -4.99 119.74 114.27 1lme s LYS 21 Ca -0.01 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.36 1lme s LYS 21 Cb 0.00 -3.70 0.26 0.00 -0.52 0.00 0.00 37.83 33.87 1lme s LYS 21 CO 0.04 -0.37 1.04 1.19 -0.92 0.00 0.00 175.35 176.34 1lme n PHE 22 N 5.06 4.13 -4.27 3.18 3.01 -1.26 -4.77 117.46 122.54 1lme n PHE 22 Ca -0.13 -3.74 -0.20 0.00 1.01 0.00 0.00 57.45 54.39 1lme n PHE 22 Cb 0.50 -1.31 -0.03 0.00 -0.01 0.00 0.00 39.48 38.63 1lme n PHE 22 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1lme n ASP 23 N 2.10 2.69 0.29 4.37 5.68 -1.26 -4.89 116.55 125.52 1lme n ASP 23 Ca 0.24 -2.39 0.14 0.00 -0.50 0.00 0.00 54.79 52.29 1lme n ASP 23 Cb 0.37 0.16 0.85 0.00 -1.14 0.00 0.00 41.12 41.36 1lme n ASP 23 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1lme h GLU 24 N 0.00 0.00 -0.34 0.11 4.39 -1.95 -1.30 114.58 115.49 1lme h GLU 24 Ca -0.26 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 1lme h GLU 24 Cb 0.83 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1lme h GLU 24 CO 0.43 0.05 -0.21 -0.97 -1.16 0.00 0.00 179.01 177.14 1lme h ASN 25 N 0.00 0.66 -0.16 1.42 -0.73 -1.95 -1.72 115.58 113.10 1lme h ASN 25 Ca -0.00 -0.22 -0.04 0.00 1.87 0.00 0.00 56.30 57.90 1lme h ASN 25 Cb 0.13 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.54 1lme h ASN 25 CO 0.01 0.87 -0.07 0.25 -0.37 0.00 0.00 177.43 178.11 1lme h LEU 26 N 0.58 0.34 -0.53 0.34 5.85 -1.54 -1.43 115.31 118.92 1lme h LEU 26 Ca 0.09 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.47 1lme h LEU 26 Cb 0.68 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1lme h LEU 26 CO 0.05 0.67 0.21 0.50 -0.34 0.00 0.00 178.44 179.54 1lme h LYS 27 N 0.01 0.40 -0.55 1.25 1.63 -1.31 0.17 116.57 118.17 1lme h LYS 27 Ca 0.04 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 1lme h LYS 27 Cb 0.54 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1lme h LYS 27 CO 0.02 0.26 0.05 -0.22 -3.45 0.00 0.00 179.45 176.12 1lme h LYS 28 N 0.41 0.91 -0.49 1.90 1.63 -1.26 0.03 116.57 119.71 1lme h LYS 28 Ca 0.25 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1lme h LYS 28 Cb 0.25 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 1lme h LYS 28 CO -0.24 0.87 0.20 1.15 -3.45 0.00 0.00 179.45 177.99 1lme h THR 29 N 0.85 1.21 -0.71 1.00 2.02 -0.17 -1.36 112.91 115.75 1lme h THR 29 Ca 0.17 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 1lme h THR 29 Cb 0.43 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1lme h THR 29 CO 0.01 0.24 0.33 0.40 0.37 0.00 0.00 175.52 176.87 1lme h ILE 30 N 0.64 1.24 -0.42 3.11 1.08 -0.07 -0.97 117.51 122.12 1lme h ILE 30 Ca 0.16 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 1lme h ILE 30 Cb 0.18 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 1lme h ILE 30 CO -0.01 0.28 0.24 -0.33 -0.69 0.00 0.00 178.15 177.64 1lme h GLU 31 N 1.00 0.58 -0.35 2.37 5.08 -0.66 -0.57 114.58 122.03 1lme h GLU 31 Ca 0.24 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1lme h GLU 31 Cb 0.13 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1lme h GLU 31 CO -0.03 0.45 0.04 0.00 -1.00 0.00 0.00 179.01 178.47 1lme h ARG 32 N 0.55 0.53 -0.26 2.33 3.08 -0.98 0.78 114.38 120.40 1lme h ARG 32 Ca 0.15 -0.10 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 1lme h ARG 32 Cb 0.03 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1lme h ARG 32 CO -0.03 0.52 -0.51 0.52 -1.07 0.00 0.00 179.97 179.40 1lme h MET 33 N 0.51 0.74 -0.23 0.04 2.86 -0.53 0.14 114.93 118.46 1lme h MET 33 Ca 0.11 -0.45 -0.02 0.00 -2.06 0.00 0.00 59.70 57.28 1lme h MET 33 Cb 0.27 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1lme h MET 33 CO 0.00 1.07 0.06 0.82 1.06 0.00 0.00 176.91 179.92 1lme h ILE 34 N 0.58 1.21 -0.85 -1.22 2.04 -0.58 0.65 117.51 119.35 1lme h ILE 34 Ca 0.02 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.27 1lme h ILE 34 Cb 1.09 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1lme h ILE 34 CO 0.11 0.21 0.52 -0.08 0.00 0.00 0.00 178.15 178.91 1lme h GLU 35 N 0.18 0.92 -0.12 2.37 4.81 -0.71 0.12 114.58 122.15 1lme h GLU 35 Ca 0.07 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1lme h GLU 35 Cb 0.27 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1lme h GLU 35 CO 0.00 0.61 -0.18 1.15 -0.73 0.00 0.00 179.01 179.86 1lme h THR 36 N 0.95 1.37 -0.48 0.32 2.02 -0.38 -0.35 112.91 116.36 1lme h THR 36 Ca 0.37 -1.41 0.03 0.00 0.77 0.00 0.00 66.41 66.17 1lme h THR 36 Cb 0.18 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1lme h THR 36 CO -0.18 0.41 0.27 -0.03 0.37 0.00 0.00 175.52 176.37 1lme h MET 37 N -0.07 0.53 -0.48 6.66 1.85 0.80 -2.58 114.93 121.64 1lme h MET 37 Ca 0.01 -0.03 -0.12 0.00 -0.61 0.00 0.00 59.70 58.95 1lme h MET 37 Cb 0.74 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.64 1lme h MET 37 CO 0.04 0.35 -0.19 1.88 -0.40 0.00 0.00 176.91 178.59 1lme h TYR 38 N 0.54 1.11 -0.89 1.39 0.05 -0.75 -0.56 116.97 117.86 1lme h TYR 38 Ca 0.19 -0.26 0.16 0.00 0.05 0.00 0.00 58.73 58.87 1lme h TYR 38 Cb 0.04 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 37.45 1lme h TYR 38 CO -0.08 1.08 0.58 1.25 -1.05 0.00 0.00 178.16 179.94 1lme h HIS 39 N 0.82 0.76 -0.59 4.88 2.76 -0.75 0.16 115.15 123.20 1lme h HIS 39 Ca 0.11 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.23 1lme h HIS 39 Cb 0.76 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.44 1lme h HIS 39 CO 0.05 0.26 0.10 0.66 -1.30 0.00 0.00 177.93 177.70 1lme n TYR 40 N -4.56 2.06 -4.14 5.26 4.02 -1.00 -4.93 117.16 113.86 1lme n TYR 40 Ca 0.18 -0.84 -0.34 0.00 -0.01 0.00 0.00 57.90 56.89 1lme n TYR 40 Cb 0.53 -0.55 -0.01 0.00 -0.02 0.00 0.00 39.34 39.28 1lme n TYR 40 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1lme n ASP 41 N 0.31 -3.38 -4.88 7.72 8.00 0.56 -4.96 116.55 119.93 1lme n ASP 41 Ca 0.30 -0.96 -0.21 0.00 0.71 0.00 0.00 54.79 54.63 1lme n ASP 41 Cb 1.20 -3.02 0.07 0.00 -0.02 0.00 0.00 41.12 39.35 1lme n ASP 41 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1lme s GLY 42 N -3.39 1.77 0.00 0.44 0.00 -0.24 -5.03 107.32 100.88 1lme s GLY 42 Ca 0.66 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1lme s GLY 42 CO 0.90 -1.41 0.10 3.33 0.00 0.00 0.00 173.10 176.02 1lme n VAL 43 N -2.46 0.00 -3.63 1.40 0.24 -1.26 -4.69 118.33 107.94 1lme n VAL 43 Ca 0.14 -0.46 -0.16 0.00 -2.04 0.00 0.00 64.34 61.82 1lme n VAL 43 Cb 0.61 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.92 1lme n VAL 43 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1lme s GLY 44 N -0.73 -0.40 -0.24 7.63 0.00 -1.26 -0.11 107.32 112.21 1lme s GLY 44 Ca 0.00 0.99 -0.09 0.00 0.00 0.00 0.00 44.72 45.62 1lme s GLY 44 CO 0.00 0.70 0.52 -2.27 0.00 0.00 0.00 173.10 172.06 1lme s LEU 45 N -1.05 -0.85 0.13 0.66 2.96 -0.53 -4.90 118.68 115.10 1lme s LEU 45 Ca -0.11 1.25 0.04 0.00 -0.22 0.00 0.00 54.13 55.09 1lme s LEU 45 Cb -0.02 1.78 -0.04 0.00 0.50 0.00 0.00 46.19 48.41 1lme s LEU 45 CO 0.07 -0.23 0.15 0.00 -1.32 0.00 0.00 176.35 175.02 1lme s ALA 46 N 2.66 3.67 0.25 5.97 0.00 -1.26 -1.07 121.76 131.98 1lme s ALA 46 Ca -0.04 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 50.75 1lme s ALA 46 Cb -0.12 -1.49 0.43 0.00 0.00 0.00 0.00 23.12 21.94 1lme s ALA 46 CO -0.16 0.61 1.63 0.00 0.00 0.00 0.00 175.76 177.84 1lme h ALA 47 N 2.68 0.76 -0.04 0.00 0.00 -1.06 0.18 119.26 121.77 1lme h ALA 47 Ca -0.47 0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1lme h ALA 47 Cb 1.19 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1lme h ALA 47 CO 0.66 -0.43 0.07 -1.35 0.00 0.00 0.00 179.25 178.20 1lme h PRO 48 N 0.08 0.00 0.00 0.00 0.11 -1.51 0.33 132.00 131.02 1lme h PRO 48 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1lme h PRO 48 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1lme h PRO 48 CO -0.69 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.06 1lme h GLN 49 N 0.00 0.00 -0.12 1.05 4.20 -0.92 -1.95 115.11 117.36 1lme h GLN 49 Ca 0.02 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1lme h GLN 49 Cb 0.15 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 1lme h GLN 49 CO -0.00 0.00 -0.42 1.33 -0.67 0.00 0.00 178.83 179.07 1lme n VAL 50 N -2.33 2.31 -0.96 -0.54 0.24 -0.00 0.22 118.33 117.26 1lme n VAL 50 Ca 0.02 -3.19 0.00 0.00 -2.04 0.00 0.00 64.34 59.13 1lme n VAL 50 Cb 0.24 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 1lme n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lme n GLY 51 N -1.10 0.49 3.40 7.63 0.00 -0.73 -4.89 105.19 109.97 1lme n GLY 51 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1lme n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lme s ILE 52 N -2.21 4.99 -0.57 -0.61 1.01 -0.54 -4.94 121.20 118.32 1lme s ILE 52 Ca 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 1lme s ILE 52 Cb 0.00 -3.88 -0.17 0.00 0.01 0.00 0.00 42.46 38.42 1lme s ILE 52 CO 0.00 -0.41 3.31 -0.24 0.00 0.00 0.00 174.94 177.60 1lme n SER 53 N 5.11 6.50 -4.40 3.58 2.88 -1.26 -1.56 113.62 124.47 1lme n SER 53 Ca -0.12 -2.59 -0.21 0.00 -1.33 0.00 0.00 58.87 54.62 1lme n SER 53 Cb 0.45 -1.44 -0.10 0.00 -0.75 0.00 0.00 64.21 62.37 1lme n SER 53 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1lme s GLN 54 N 1.03 1.48 -1.30 -1.46 -0.21 -1.26 -1.25 119.66 116.69 1lme s GLN 54 Ca 0.67 -1.68 -0.15 0.00 0.02 0.00 0.00 55.36 54.22 1lme s GLN 54 Cb 0.28 -1.37 0.11 0.00 1.00 0.00 0.00 33.01 33.03 1lme s GLN 54 CO -0.04 0.23 1.77 0.54 -2.12 0.00 0.00 175.29 175.66 1lme n ARG 55 N -0.49 3.24 -3.46 2.91 1.74 0.61 -4.47 116.66 116.75 1lme n ARG 55 Ca -0.07 -3.35 -0.12 0.00 -0.77 0.00 0.00 57.85 53.55 1lme n ARG 55 Cb 0.60 -3.25 -0.02 0.00 -1.02 0.00 0.00 32.46 28.78 1lme n ARG 55 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1lme s PHE 56 N 2.71 -0.51 0.29 -1.55 -0.71 -1.26 -0.13 117.98 116.83 1lme s PHE 56 Ca 0.47 0.28 -0.17 0.00 -1.04 0.00 0.00 56.93 56.47 1lme s PHE 56 Cb 0.05 0.57 0.02 0.00 -1.21 0.00 0.00 43.02 42.44 1lme s PHE 56 CO 0.02 -0.88 0.66 -0.59 -1.34 0.00 0.00 175.22 173.09 1lme s PHE 57 N -3.76 0.08 0.14 3.49 -0.12 -0.57 -0.53 117.98 116.70 1lme s PHE 57 Ca 0.02 -0.54 0.08 0.00 -0.05 0.00 0.00 56.93 56.44 1lme s PHE 57 Cb -0.01 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 1lme s PHE 57 CO -0.11 -1.23 -0.18 0.14 -0.05 0.00 0.00 175.22 173.79 1lme s VAL 58 N -3.60 1.65 0.11 -2.49 -7.23 -0.23 -0.65 120.40 107.95 1lme s VAL 58 Ca 0.16 -1.76 -0.15 0.00 -1.81 0.00 0.00 61.98 58.42 1lme s VAL 58 Cb -0.04 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.25 1lme s VAL 58 CO 0.09 -0.28 0.36 0.00 -0.31 0.00 0.00 175.10 174.96 1lme s MET 59 N -2.53 1.01 -0.22 4.82 0.23 -0.64 -1.46 119.30 120.52 1lme s MET 59 Ca 0.11 -0.72 -0.04 0.00 -1.03 0.00 0.00 55.69 54.01 1lme s MET 59 Cb -0.07 0.44 0.09 0.00 -1.53 0.00 0.00 34.83 33.76 1lme s MET 59 CO 0.05 -0.38 0.16 0.34 -2.03 0.00 0.00 175.02 173.16 1lme s ASP 60 N -2.73 2.16 -0.20 -1.18 -1.08 0.85 0.39 116.67 114.88 1lme s ASP 60 Ca 0.02 -0.62 0.13 0.00 -0.52 0.00 0.00 52.55 51.57 1lme s ASP 60 Cb 0.02 0.03 0.73 0.00 -1.46 0.00 0.00 42.92 42.24 1lme s ASP 60 CO -0.11 -0.36 1.61 1.33 0.52 0.00 0.00 175.17 178.16 1lme n VAL 61 N 5.29 2.35 0.00 1.11 0.24 -1.26 -4.73 118.33 121.33 1lme n VAL 61 Ca -0.06 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 1lme n VAL 61 Cb 0.48 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 1lme n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lme n GLY 62 N 0.64 1.96 0.81 7.63 0.00 -1.26 -4.88 105.19 110.10 1lme n GLY 62 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.35 1lme n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lme n ASN 63 N 0.00 2.86 0.00 1.61 3.02 -1.26 -5.09 115.26 116.40 1lme n ASN 63 Ca 0.00 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 1lme n ASN 63 Cb 0.00 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1lme n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lme n GLY 64 N 1.00 2.92 3.76 7.41 0.00 -1.26 -5.05 105.19 113.97 1lme n GLY 64 Ca 0.13 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1lme n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lme s PRO 65 N -2.68 4.32 -0.12 1.61 0.04 -1.26 -4.37 135.00 132.54 1lme s PRO 65 Ca 0.00 2.25 0.02 0.00 0.04 0.00 0.00 61.00 63.31 1lme s PRO 65 Cb 0.00 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1lme s PRO 65 CO 0.00 -0.29 -0.19 0.08 0.04 0.00 0.00 177.00 176.64 1lme s VAL 66 N -0.66 1.81 -0.20 -0.36 1.01 0.16 -4.95 120.40 117.22 1lme s VAL 66 Ca 0.53 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1lme s VAL 66 Cb -0.41 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1lme s VAL 66 CO 0.49 0.50 0.45 0.00 0.00 0.00 0.00 175.10 176.54 1lme s ALA 67 N 0.84 3.55 -0.23 5.51 0.00 -1.26 -1.62 121.76 128.54 1lme s ALA 67 Ca -0.08 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1lme s ALA 67 Cb -0.15 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.30 1lme s ALA 67 CO -0.01 -0.35 -0.14 0.08 0.00 0.00 0.00 175.76 175.34 1lme s VAL 68 N 1.42 2.16 -0.10 0.00 1.01 0.17 -4.71 120.40 120.36 1lme s VAL 68 Ca 0.21 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1lme s VAL 68 Cb -0.15 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1lme s VAL 68 CO 0.09 0.19 -0.14 -0.63 0.00 0.00 0.00 175.10 174.61 1lme s ILE 69 N 1.18 3.01 -1.31 2.22 1.01 -0.59 -1.50 121.20 125.21 1lme s ILE 69 Ca -0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1lme s ILE 69 Cb -0.17 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 1lme s ILE 69 CO -0.08 0.55 0.62 0.59 0.00 0.00 0.00 174.94 176.62 1lme n ASN 70 N 3.03 -1.44 -4.75 3.58 3.02 0.81 -0.06 115.26 119.45 1lme n ASN 70 Ca -0.18 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.14 1lme n ASN 70 Cb 0.52 -3.68 0.06 0.00 -0.61 0.00 0.00 39.78 36.08 1lme n ASN 70 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1lme s PRO 71 N -6.13 2.56 -0.01 3.52 0.04 -1.26 -4.50 135.00 129.23 1lme s PRO 71 Ca 0.06 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1lme s PRO 71 Cb -0.02 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1lme s PRO 71 CO 0.84 -1.45 -0.01 -1.21 0.04 0.00 0.00 177.00 175.21 1lme s GLU 72 N -4.08 0.09 -0.39 4.56 2.02 0.14 -4.97 118.70 116.06 1lme s GLU 72 Ca 0.69 -0.01 -0.13 0.00 0.02 0.00 0.00 54.97 55.54 1lme s GLU 72 Cb -0.23 -0.14 0.02 0.00 0.10 0.00 0.00 34.13 33.89 1lme s GLU 72 CO 0.43 -0.01 0.26 0.42 0.02 0.00 0.00 175.26 176.38 1lme s ILE 73 N 0.18 4.95 0.00 -1.63 1.01 -1.26 -0.84 121.20 123.61 1lme s ILE 73 Ca -0.01 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 1lme s ILE 73 Cb -0.03 -3.76 -0.32 0.00 0.01 0.00 0.00 42.46 38.36 1lme s ILE 73 CO -0.01 -0.27 0.99 -0.07 0.00 0.00 0.00 174.94 175.58 1lme h LEU 74 N 8.54 0.70 -8.06 2.97 3.38 -0.43 -3.47 115.31 118.94 1lme h LEU 74 Ca -0.26 -0.90 -0.23 0.00 0.09 0.00 0.00 57.88 56.58 1lme h LEU 74 Cb 1.11 -0.22 -0.22 0.00 0.09 0.00 0.00 40.66 41.42 1lme h LEU 74 CO 0.70 1.54 -0.72 -1.61 0.09 0.00 0.00 178.44 178.44 1lme s GLU 75 N -2.66 0.41 -0.07 1.13 2.02 -0.89 -4.94 118.70 113.69 1lme s GLU 75 Ca -0.11 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 1lme s GLU 75 Cb 0.03 -0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.18 1lme s GLU 75 CO 0.89 0.01 -0.02 0.42 0.02 0.00 0.00 175.26 176.58 1lme s ILE 76 N -1.32 0.47 0.28 -1.63 1.01 -1.26 -1.45 121.20 117.30 1lme s ILE 76 Ca -0.12 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 1lme s ILE 76 Cb -0.09 -0.58 -0.09 0.00 0.01 0.00 0.00 42.46 41.70 1lme s ILE 76 CO -0.00 0.26 1.05 -0.62 0.00 0.00 0.00 174.94 175.63 1lme s ASP 77 N 1.67 7.34 0.41 3.58 -1.08 0.44 -4.95 116.67 124.09 1lme s ASP 77 Ca 0.01 2.17 0.28 0.00 -0.52 0.00 0.00 52.55 54.50 1lme s ASP 77 Cb -0.13 -2.62 1.07 0.00 -1.46 0.00 0.00 42.92 39.78 1lme s ASP 77 CO -0.04 -0.08 1.83 1.55 0.52 0.00 0.00 175.17 178.95 1lme h PRO 78 N 3.83 0.00 -6.41 4.34 0.13 -2.01 -3.41 132.00 128.47 1lme h PRO 78 Ca -0.46 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.13 1lme h PRO 78 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1lme h PRO 78 CO 0.67 0.00 0.76 -1.21 -0.23 0.00 0.00 178.00 177.99 1lme s GLU 79 N -3.45 4.32 0.44 0.86 2.02 -1.26 -4.95 118.70 116.69 1lme s GLU 79 Ca 0.04 1.92 0.05 0.00 0.02 0.00 0.00 54.97 57.00 1lme s GLU 79 Cb 0.09 -3.48 -0.06 0.00 0.10 0.00 0.00 34.13 30.78 1lme s GLU 79 CO 0.51 -0.49 0.01 0.95 0.02 0.00 0.00 175.26 176.26 1lme s THR 80 N 1.96 1.72 -0.06 3.63 -4.23 -1.26 -0.40 115.64 117.00 1lme s THR 80 Ca 0.62 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.96 1lme s THR 80 Cb -0.31 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 70.85 1lme s THR 80 CO 0.27 0.00 0.41 -0.70 -0.54 0.00 0.00 174.62 174.06 1lme s GLU 81 N -3.77 0.69 -0.06 3.99 2.12 -0.35 -4.81 118.70 116.50 1lme s GLU 81 Ca 0.25 0.12 -0.00 0.00 0.36 0.00 0.00 54.97 55.70 1lme s GLU 81 Cb 0.07 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.74 1lme s GLU 81 CO 0.13 -0.17 -0.02 0.08 -0.54 0.00 0.00 175.26 174.74 1lme s VAL 82 N -0.83 4.10 0.21 3.70 1.01 -1.26 -0.89 120.40 126.43 1lme s VAL 82 Ca -0.09 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 1lme s VAL 82 Cb -0.04 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.64 1lme s VAL 82 CO 0.04 0.54 0.58 0.00 0.00 0.00 0.00 175.10 176.27 1lme s ALA 83 N -0.92 -1.08 0.21 5.51 0.00 -0.79 -4.93 121.76 119.76 1lme s ALA 83 Ca 0.15 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 1lme s ALA 83 Cb -0.11 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 23.80 1lme s ALA 83 CO 0.04 -0.86 0.95 -1.21 0.00 0.00 0.00 175.76 174.68 1lme s GLU 84 N -3.87 4.81 -0.01 0.00 2.02 -1.26 -0.39 118.70 120.00 1lme s GLU 84 Ca 0.09 1.49 0.01 0.00 0.02 0.00 0.00 54.97 56.58 1lme s GLU 84 Cb -0.02 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.91 1lme s GLU 84 CO -0.02 0.44 -0.05 -1.21 0.02 0.00 0.00 175.26 174.44 1lme s GLU 85 N -0.90 0.48 0.00 1.61 2.02 -0.46 -4.93 118.70 116.53 1lme s GLU 85 Ca 0.43 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1lme s GLU 85 Cb -0.26 -0.49 0.00 0.00 0.10 0.00 0.00 34.13 33.48 1lme s GLU 85 CO 0.32 0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.07 1lme n GLY 86 N 3.23 3.81 0.09 -1.39 0.00 -1.26 -1.45 105.19 108.23 1lme n GLY 86 Ca -0.16 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 1lme n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lme n LEU 88 N 0.00 0.22 0.00 0.99 4.77 -1.26 -5.01 117.00 116.71 1lme n LEU 88 Ca 0.00 0.10 0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1lme n LEU 88 Cb 0.00 0.40 0.82 0.00 -2.33 0.00 0.00 43.42 42.31 1lme n LEU 88 CO 0.00 0.45 1.02 -1.20 -1.33 0.00 0.00 177.39 176.33 1lme n SER 89 N -2.81 0.00 -2.98 -1.43 7.64 -1.26 -3.83 113.62 108.95 1lme n SER 89 Ca -0.28 -0.67 -0.16 0.00 1.01 0.00 0.00 58.87 58.77 1lme n SER 89 Cb 1.11 -0.09 -0.00 0.00 -1.01 0.00 0.00 64.21 64.22 1lme n SER 89 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1lme n PHE 90 N -1.09 -1.62 -1.52 1.43 -0.00 -1.26 -1.39 117.46 112.01 1lme n PHE 90 Ca 0.19 -2.81 -0.50 0.00 -0.00 0.00 0.00 57.45 54.34 1lme n PHE 90 Cb 0.14 0.54 -0.04 0.00 -0.00 0.00 0.00 39.48 40.12 1lme n PHE 90 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1lme n PRO 91 N 1.18 0.66 -0.74 -7.13 -0.04 -1.25 -2.78 135.00 124.90 1lme n PRO 91 Ca 0.16 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1lme n PRO 91 Cb 0.61 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1lme n PRO 91 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1lme n GLU 92 N 1.42 0.00 -3.83 0.54 1.02 -1.26 -4.99 120.64 113.54 1lme n GLU 92 Ca 0.16 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.95 1lme n GLU 92 Cb 0.22 -3.34 -0.10 0.00 -0.02 0.00 0.00 31.44 28.20 1lme n GLU 92 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1lme s ILE 93 N -2.65 4.88 -0.04 -3.67 1.09 -1.12 -5.08 121.20 114.62 1lme s ILE 93 Ca 0.00 0.01 0.06 0.00 -1.10 0.00 0.00 60.65 59.62 1lme s ILE 93 Cb 0.00 -3.25 -0.01 0.00 -1.06 0.00 0.00 42.46 38.14 1lme s ILE 93 CO 0.00 0.39 -0.23 -0.36 -0.10 0.00 0.00 174.94 174.64 1lme s PHE 94 N 0.91 2.15 -0.01 3.97 0.40 -1.26 -4.36 117.98 119.78 1lme s PHE 94 Ca 0.05 -0.52 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1lme s PHE 94 Cb -0.13 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 41.99 1lme s PHE 94 CO 0.03 -0.12 -0.09 0.54 0.70 0.00 0.00 175.22 176.28 1lme s VAL 95 N -0.33 0.73 -0.06 -0.44 0.11 -0.53 -4.90 120.40 114.97 1lme s VAL 95 Ca 0.03 -0.37 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 1lme s VAL 95 Cb -0.11 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 1lme s VAL 95 CO 0.01 0.22 1.07 -1.61 -3.33 0.00 0.00 175.10 171.46 1lme s GLU 96 N -0.04 4.43 -0.03 1.54 2.02 -1.26 -1.36 118.70 124.01 1lme s GLU 96 Ca 0.01 1.50 0.03 0.00 0.02 0.00 0.00 54.97 56.53 1lme s GLU 96 Cb -0.06 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.66 1lme s GLU 96 CO -0.00 -0.30 -0.11 0.42 0.02 0.00 0.00 175.26 175.29 1lme s ILE 97 N 1.81 0.93 -0.14 -1.63 1.01 0.48 -1.27 121.20 122.39 1lme s ILE 97 Ca 0.52 -0.45 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 1lme s ILE 97 Cb -0.21 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1lme s ILE 97 CO 0.22 0.28 0.67 -0.70 0.00 0.00 0.00 174.94 175.41 1lme s GLU 98 N 0.09 4.32 0.07 2.79 2.12 -1.26 -1.88 118.70 124.95 1lme s GLU 98 Ca -0.02 0.75 0.05 0.00 0.36 0.00 0.00 54.97 56.11 1lme s GLU 98 Cb -0.08 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1lme s GLU 98 CO 0.01 -0.10 -0.13 1.03 -0.54 0.00 0.00 175.26 175.52 1lme s ARG 99 N 1.42 0.80 0.45 4.30 1.81 -0.07 -4.93 118.95 122.73 1lme s ARG 99 Ca 0.33 -0.97 -0.24 0.00 -1.72 0.00 0.00 55.73 53.13 1lme s ARG 99 Cb -0.17 -0.74 -0.07 0.00 -0.45 0.00 0.00 34.95 33.52 1lme s ARG 99 CO 0.13 0.16 1.31 0.45 -0.68 0.00 0.00 175.30 176.67 1lme s SER 100 N -1.84 5.98 0.27 0.23 0.15 -1.26 -1.21 113.70 116.01 1lme s SER 100 Ca -0.01 2.66 0.14 0.00 0.70 0.00 0.00 55.95 59.44 1lme s SER 100 Cb -0.09 -2.63 0.10 0.00 -1.71 0.00 0.00 66.02 61.69 1lme s SER 100 CO 0.02 -1.08 1.46 0.11 1.20 0.00 0.00 173.24 174.95 1lme h LYS 101 N 2.23 0.00 -3.28 5.44 1.57 -0.96 -3.43 116.57 118.14 1lme h LYS 101 Ca -0.50 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.07 1lme h LYS 101 Cb 1.26 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.28 1lme h LYS 101 CO 0.61 0.56 -0.55 0.50 -0.57 0.00 0.00 179.45 180.00 1lme s ARG 102 N -3.01 0.15 0.06 3.15 3.52 -1.26 -0.59 118.95 120.98 1lme s ARG 102 Ca 0.03 0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.91 1lme s ARG 102 Cb 0.08 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.41 1lme s ARG 102 CO 0.75 -0.09 0.02 0.96 -0.81 0.00 0.00 175.30 176.13 1lme s ILE 103 N 0.61 0.20 -0.14 4.11 -4.36 -0.37 -0.42 121.20 120.82 1lme s ILE 103 Ca -0.04 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 1lme s ILE 103 Cb -0.06 -1.40 -0.01 0.00 1.25 0.00 0.00 42.46 42.24 1lme s ILE 103 CO -0.03 -0.89 -0.15 -0.75 0.24 0.00 0.00 174.94 173.36 1lme s LYS 104 N -3.74 3.26 0.35 0.37 2.20 -0.53 -1.00 119.74 120.65 1lme s LYS 104 Ca 0.05 -0.74 0.06 0.00 -0.36 0.00 0.00 55.97 54.98 1lme s LYS 104 Cb 0.06 -2.60 -0.07 0.00 -1.51 0.00 0.00 37.83 33.72 1lme s LYS 104 CO -0.10 0.10 0.01 0.14 -0.36 0.00 0.00 175.35 175.15 1lme s VAL 105 N 0.61 1.65 -0.09 4.02 -7.23 0.14 0.35 120.40 119.85 1lme s VAL 105 Ca -0.09 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 57.99 1lme s VAL 105 Cb -0.16 -2.82 0.03 0.00 0.56 0.00 0.00 36.38 34.00 1lme s VAL 105 CO 0.03 -0.06 0.22 -0.75 -0.31 0.00 0.00 175.10 174.23 1lme s LYS 106 N -3.78 0.21 0.31 4.82 2.20 -0.02 -1.60 119.74 121.88 1lme s LYS 106 Ca 0.35 0.39 -0.19 0.00 -0.36 0.00 0.00 55.97 56.16 1lme s LYS 106 Cb 0.08 -0.01 0.05 0.00 -1.51 0.00 0.00 37.83 36.44 1lme s LYS 106 CO 0.16 -0.10 0.80 1.52 -0.36 0.00 0.00 175.35 177.38 1lme s TYR 107 N 0.66 -0.02 0.18 4.03 -0.85 -0.19 0.25 117.35 121.41 1lme s TYR 107 Ca -0.05 -0.53 0.10 0.00 -0.52 0.00 0.00 57.07 56.07 1lme s TYR 107 Cb -0.06 0.77 -0.04 0.00 0.38 0.00 0.00 41.96 43.00 1lme s TYR 107 CO -0.04 -1.34 -0.14 -0.65 -1.52 0.00 0.00 175.55 171.86 1lme s GLN 108 N -2.96 1.88 0.50 -3.49 -0.21 0.91 0.36 119.66 116.65 1lme s GLN 108 Ca 0.14 -1.34 0.01 0.00 0.02 0.00 0.00 55.36 54.19 1lme s GLN 108 Cb -0.05 -2.06 0.10 0.00 1.00 0.00 0.00 33.01 31.99 1lme s GLN 108 CO 0.09 0.43 0.68 0.27 -2.12 0.00 0.00 175.29 174.64 1lme n ASN 109 N 0.15 1.00 0.11 5.90 0.23 -0.41 -1.54 115.26 120.71 1lme n ASN 109 Ca -0.12 -1.83 0.10 0.00 -0.53 0.00 0.00 54.58 52.21 1lme n ASN 109 Cb 0.55 -0.43 0.45 0.00 -2.08 0.00 0.00 39.78 38.27 1lme n ASN 109 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1lme n THR 110 N -2.35 1.03 1.27 5.53 -2.24 -1.26 -1.03 114.28 115.23 1lme n THR 110 Ca 0.12 0.41 0.13 0.00 -2.27 0.00 0.00 64.05 62.44 1lme n THR 110 Cb 0.41 -1.34 0.40 0.00 -2.10 0.00 0.00 70.33 67.70 1lme n THR 110 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lme n ARG 111 N -2.07 0.90 -0.70 -0.78 1.74 -1.26 -4.58 116.66 109.91 1lme n ARG 111 Ca 0.01 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 1lme n ARG 111 Cb 0.14 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1lme n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lme n GLY 112 N 1.32 0.68 3.77 -0.13 0.00 -0.20 -5.00 105.19 105.63 1lme n GLY 112 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1lme n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lme s GLU 113 N -0.30 4.64 0.33 1.61 2.02 -1.26 -4.76 118.70 120.98 1lme s GLU 113 Ca 0.00 1.26 -0.24 0.00 0.02 0.00 0.00 54.97 56.01 1lme s GLU 113 Cb 0.00 -3.19 -0.10 0.00 0.10 0.00 0.00 34.13 30.95 1lme s GLU 113 CO 0.00 0.51 0.91 0.71 0.02 0.00 0.00 175.26 177.41 1lme s TYR 114 N -1.24 3.62 -0.04 1.61 1.51 -1.26 -1.28 117.35 120.27 1lme s TYR 114 Ca 0.40 1.69 0.01 0.00 -1.01 0.00 0.00 57.07 58.16 1lme s TYR 114 Cb -0.23 -2.86 0.02 0.00 -0.11 0.00 0.00 41.96 38.78 1lme s TYR 114 CO 0.27 0.17 -0.05 0.08 -1.11 0.00 0.00 175.55 174.92 1lme s VAL 115 N -1.71 0.53 -0.07 0.71 1.01 0.16 -4.95 120.40 116.09 1lme s VAL 115 Ca 0.51 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1lme s VAL 115 Cb -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1lme s VAL 115 CO 0.21 0.21 -0.17 -1.61 0.00 0.00 0.00 175.10 173.75 1lme s GLU 116 N 0.69 2.06 0.20 2.72 2.02 -1.26 -1.02 118.70 124.10 1lme s GLU 116 Ca -0.09 -0.59 -0.23 0.00 0.02 0.00 0.00 54.97 54.07 1lme s GLU 116 Cb -0.12 -1.68 0.05 0.00 0.10 0.00 0.00 34.13 32.48 1lme s GLU 116 CO 0.00 0.14 0.78 -1.83 0.02 0.00 0.00 175.26 174.37 1lme s GLU 117 N 0.37 1.45 -0.13 1.61 -1.05 -0.63 -5.00 118.70 115.32 1lme s GLU 117 Ca -0.12 -0.75 -0.07 0.00 -0.15 0.00 0.00 54.97 53.89 1lme s GLU 117 Cb -0.15 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1lme s GLU 117 CO 0.04 -0.66 0.11 -2.00 0.95 0.00 0.00 175.26 173.70 1lme s GLU 118 N -3.65 3.51 0.03 -4.83 2.56 -1.26 -0.69 118.70 114.37 1lme s GLU 118 Ca 0.09 -0.21 0.06 0.00 0.00 0.00 0.00 54.97 54.91 1lme s GLU 118 Cb -0.03 -3.15 -0.02 0.00 2.00 0.00 0.00 34.13 32.92 1lme s GLU 118 CO 0.01 0.66 -0.17 -0.51 -0.56 0.00 0.00 175.26 174.68 1lme s LEU 119 N -0.70 2.14 0.19 2.70 1.43 -0.17 -5.00 118.68 119.27 1lme s LEU 119 Ca 0.13 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1lme s LEU 119 Cb -0.12 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 1lme s LEU 119 CO 0.03 0.12 0.09 -1.83 0.23 0.00 0.00 176.35 174.99 1lme s GLU 120 N -1.02 1.17 1.51 1.70 -1.05 -1.26 -1.24 118.70 118.51 1lme s GLU 120 Ca 0.05 -1.60 0.00 0.00 -0.15 0.00 0.00 54.97 53.27 1lme s GLU 120 Cb -0.08 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 1lme s GLU 120 CO 0.01 -0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.32 1lme n GLY 121 N -0.26 2.26 0.27 -3.83 0.00 0.25 -2.01 105.19 101.86 1lme n GLY 121 Ca -0.01 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.93 1lme n GLY 121 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1lme h TYR 122 N 0.00 0.21 -0.49 1.61 3.20 -1.97 0.22 116.97 119.76 1lme h TYR 122 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1lme h TYR 122 Cb 0.00 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1lme h TYR 122 CO 0.00 -0.12 0.30 0.00 -1.64 0.00 0.00 178.16 176.70 1lme h ALA 123 N 1.63 0.62 -0.82 1.82 0.00 -1.74 -1.02 119.26 119.75 1lme h ALA 123 Ca 0.41 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1lme h ALA 123 Cb 0.72 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1lme h ALA 123 CO -0.54 0.11 0.50 0.00 0.00 0.00 0.00 179.25 179.32 1lme h ALA 124 N 1.14 1.04 -0.13 0.00 0.00 -0.57 -1.18 119.26 119.56 1lme h ALA 124 Ca 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lme h ALA 124 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1lme h ALA 124 CO -0.03 0.50 0.07 -0.09 0.00 0.00 0.00 179.25 179.70 1lme h ARG 125 N 1.12 0.19 -0.32 0.00 2.43 -0.52 -1.01 114.38 116.27 1lme h ARG 125 Ca 0.29 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 1lme h ARG 125 Cb -0.05 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1lme h ARG 125 CO -0.06 0.21 -0.27 0.28 -1.51 0.00 0.00 179.97 178.63 1lme h VAL 126 N 0.11 1.28 -0.14 0.20 2.07 -1.08 -0.62 116.25 118.07 1lme h VAL 126 Ca 0.05 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1lme h VAL 126 Cb 0.08 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1lme h VAL 126 CO -0.01 0.45 0.08 0.15 0.02 0.00 0.00 177.57 178.26 1lme h PHE 127 N 0.56 0.19 -0.91 1.57 3.57 -0.93 -1.40 116.94 119.58 1lme h PHE 127 Ca 0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1lme h PHE 127 Cb 0.75 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 1lme h PHE 127 CO 0.03 0.18 0.55 1.96 -2.23 0.00 0.00 178.31 178.80 1lme h GLN 128 N 0.14 1.24 0.22 1.11 4.20 -0.95 0.33 115.11 121.39 1lme h GLN 128 Ca 0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1lme h GLN 128 Cb 0.05 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1lme h GLN 128 CO -0.01 0.87 -0.11 1.25 -0.67 0.00 0.00 178.83 180.17 1lme h HIS 129 N 1.26 -0.27 -0.35 2.96 2.76 -0.89 0.88 115.15 121.50 1lme h HIS 129 Ca 0.33 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 1lme h HIS 129 Cb -0.05 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1lme h HIS 129 CO 0.01 -0.14 0.15 0.93 -1.30 0.00 0.00 177.93 177.57 1lme h GLU 130 N -0.33 0.52 -0.67 5.26 4.39 -0.93 -2.72 114.58 120.10 1lme h GLU 130 Ca -0.03 -0.09 0.08 0.00 0.34 0.00 0.00 59.36 59.66 1lme h GLU 130 Cb 0.25 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 1lme h GLU 130 CO 0.05 0.50 0.33 0.35 -1.16 0.00 0.00 179.01 179.08 1lme h PHE 131 N 0.43 0.59 -0.99 4.33 3.57 -0.25 -1.08 116.94 123.53 1lme h PHE 131 Ca 0.12 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.83 1lme h PHE 131 Cb 0.17 -0.16 -0.10 0.00 2.79 0.00 0.00 35.95 38.64 1lme h PHE 131 CO -0.01 0.23 0.61 -0.44 -2.23 0.00 0.00 178.31 176.47 1lme h ASP 132 N 0.58 0.75 -0.81 0.41 3.32 -0.50 -1.51 116.42 118.66 1lme h ASP 132 Ca 0.32 0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.55 1lme h ASP 132 Cb 0.32 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 1lme h ASP 132 CO -0.25 0.28 0.53 0.45 -1.72 0.00 0.00 179.24 178.53 1lme h HIS 133 N 0.74 0.83 0.00 4.55 3.86 -1.09 -0.22 115.15 123.82 1lme h HIS 133 Ca 0.56 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.79 1lme h HIS 133 Cb 0.91 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1lme h HIS 133 CO -0.00 0.40 0.00 1.28 0.86 0.00 0.00 177.93 180.47 1lme n LEU 134 N -4.50 0.53 -0.57 2.43 4.77 -0.57 -1.83 117.00 117.26 1lme n LEU 134 Ca 0.13 0.63 0.05 0.00 -0.03 0.00 0.00 56.01 56.80 1lme n LEU 134 Cb 0.30 -0.56 0.12 0.00 -2.33 0.00 0.00 43.42 40.94 1lme n LEU 134 CO 0.32 -0.50 0.56 0.59 -1.33 0.00 0.00 177.39 177.04 1lme n ASN 135 N -2.08 2.59 -0.07 -1.43 3.02 -0.23 -0.42 115.26 116.64 1lme n ASN 135 Ca 0.02 -1.83 -0.01 0.00 -0.03 0.00 0.00 54.58 52.74 1lme n ASN 135 Cb 0.22 -0.16 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1lme n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lme n GLY 136 N 0.53 0.44 3.70 7.41 0.00 -0.76 -4.61 105.19 111.89 1lme n GLY 136 Ca 0.10 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1lme n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lme s VAL 137 N -2.03 5.06 0.28 1.61 1.01 -0.40 -4.58 120.40 121.35 1lme s VAL 137 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.14 1lme s VAL 137 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1lme s VAL 137 CO 0.00 0.48 -0.05 -0.76 0.00 0.00 0.00 175.10 174.77 1lme s LEU 138 N 0.12 2.99 0.55 3.92 1.43 -1.26 -3.44 118.68 122.98 1lme s LEU 138 Ca 0.07 -0.81 0.24 0.00 -1.03 0.00 0.00 54.13 52.59 1lme s LEU 138 Cb -0.12 -1.48 1.45 0.00 0.03 0.00 0.00 46.19 46.07 1lme s LEU 138 CO -0.00 -0.04 2.08 0.16 0.23 0.00 0.00 176.35 178.78 1lme h ILE 139 N 1.97 0.72 0.00 -0.59 3.07 -1.96 0.44 117.51 121.17 1lme h ILE 139 Ca -0.43 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1lme h ILE 139 Cb 1.25 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1lme h ILE 139 CO 0.61 0.00 0.00 0.16 -1.05 0.00 0.00 178.15 177.87 1lme h ILE 140 N 0.00 0.00 0.00 0.16 3.07 -1.98 -1.50 117.51 117.26 1lme h ILE 140 Ca 0.13 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 66.23 1lme h ILE 140 Cb 0.55 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1lme h ILE 140 CO -0.00 0.00 -0.15 0.44 -1.05 0.00 0.00 178.15 177.39 1lme h ASP 141 N 0.00 0.00 -0.18 2.16 3.32 -1.31 -3.35 116.42 117.06 1lme h ASP 141 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1lme h ASP 141 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1lme h ASP 141 CO 0.00 0.02 0.00 0.54 -1.72 0.00 0.00 179.24 178.08 1lme n ARG 142 N -2.40 2.55 -1.63 3.56 1.74 -0.57 -5.04 116.66 114.88 1lme n ARG 142 Ca 0.05 -2.40 -0.49 0.00 -0.77 0.00 0.00 57.85 54.24 1lme n ARG 142 Cb 0.45 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 1lme n ARG 142 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1lme n ILE 143 N -0.47 0.08 -2.49 0.55 3.06 -1.19 -4.42 119.36 114.47 1lme n ILE 143 Ca 0.15 -0.02 -0.40 0.00 -2.50 0.00 0.00 62.75 59.97 1lme n ILE 143 Cb 0.63 -1.16 -0.04 0.00 0.54 0.00 0.00 39.64 39.61 1lme n ILE 143 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1lme s SER 144 N 0.64 7.28 0.00 9.51 1.04 -0.40 -4.99 113.70 126.78 1lme s SER 144 Ca 0.81 2.23 0.01 0.00 0.48 0.00 0.00 55.95 59.48 1lme s SER 144 Cb -0.82 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 62.72 1lme s SER 144 CO 0.43 -0.14 0.53 -0.81 0.98 0.00 0.00 173.24 174.23