#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lme s LEU 29 N 0.00 3.49 -0.10 1.04 0.05 -1.26 -4.78 118.68 117.12 3lme s LEU 29 Ca 0.00 2.13 0.03 0.00 0.05 0.00 0.00 54.13 56.34 3lme s LEU 29 Cb 0.00 -4.57 0.01 0.00 -2.05 0.00 0.00 46.19 39.58 3lme s LEU 29 CO 0.00 -1.62 -0.19 -0.75 -0.55 0.00 0.00 176.35 173.24 3lme s LYS 30 N -3.80 2.53 0.08 1.48 2.20 -0.45 -5.02 119.74 116.77 3lme s LYS 30 Ca 0.70 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 55.32 3lme s LYS 30 Cb -0.23 -2.01 -0.05 0.00 -1.51 0.00 0.00 37.83 34.02 3lme s LYS 30 CO 0.38 0.06 1.00 0.42 -0.36 0.00 0.00 175.35 176.84 3lme s ILE 31 N 0.64 4.52 -0.08 5.43 -1.09 -1.26 -1.20 121.20 128.16 3lme s ILE 31 Ca -0.13 1.97 -0.29 0.00 -2.23 0.00 0.00 60.65 59.97 3lme s ILE 31 Cb -0.16 -4.26 -0.06 0.00 -1.58 0.00 0.00 42.46 36.40 3lme s ILE 31 CO 0.04 0.25 1.75 -0.63 -1.23 0.00 0.00 174.94 175.12 3lme s ILE 32 N 0.38 3.45 0.22 2.92 1.01 0.30 -4.93 121.20 124.54 3lme s ILE 32 Ca 0.50 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 61.38 3lme s ILE 32 Cb -0.24 -3.38 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 3lme s ILE 32 CO 0.30 -0.09 1.10 0.00 0.00 0.00 0.00 174.94 176.25 3lme s ALA 33 N 4.64 3.39 0.82 9.38 0.00 -1.26 -4.62 121.76 134.11 3lme s ALA 33 Ca 0.78 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 53.45 3lme s ALA 33 Cb -0.34 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.47 3lme s ALA 33 CO 0.32 -0.19 0.73 -2.30 0.00 0.00 0.00 175.76 174.32 3lme n PRO 34 N 1.93 0.07 -3.92 0.00 -0.02 -1.26 -5.04 135.00 126.77 3lme n PRO 34 Ca 0.01 0.08 -0.08 0.00 -2.02 0.00 0.00 63.50 61.49 3lme n PRO 34 Cb 0.46 -2.05 -0.08 0.00 -0.02 0.00 0.00 33.50 31.81 3lme n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3lme s THR 35 N -2.14 0.16 -1.66 3.45 2.01 -1.26 -5.01 115.64 111.18 3lme s THR 35 Ca 0.66 -1.34 0.11 0.00 0.31 0.00 0.00 61.69 61.42 3lme s THR 35 Cb -0.29 -1.41 0.24 0.00 0.01 0.00 0.00 72.50 71.05 3lme s THR 35 CO 0.58 -0.72 1.18 -0.90 -0.69 0.00 0.00 174.62 174.08 3lme n ASP 36 N -0.03 0.00 -0.24 3.53 5.68 -1.26 -1.02 116.55 123.21 3lme n ASP 36 Ca -0.14 -0.06 0.11 0.00 -0.50 0.00 0.00 54.79 54.19 3lme n ASP 36 Cb 0.62 -0.17 0.01 0.00 -1.14 0.00 0.00 41.12 40.45 3lme n ASP 36 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3lme n LYS 37 N -1.17 0.61 -4.39 0.11 4.01 -1.26 -5.04 118.16 111.03 3lme n LYS 37 Ca 0.06 -0.49 -0.22 0.00 -0.51 0.00 0.00 58.31 57.15 3lme n LYS 37 Cb 0.07 -1.49 -0.11 0.00 -0.51 0.00 0.00 35.03 32.99 3lme n LYS 37 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3lme s THR 38 N -2.72 2.09 0.63 -0.18 2.01 -0.19 -4.83 115.64 112.45 3lme s THR 38 Ca 0.15 -2.16 -0.18 0.00 0.31 0.00 0.00 61.69 59.81 3lme s THR 38 Cb 0.17 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 3lme s THR 38 CO 0.69 -0.38 1.23 -0.63 -0.69 0.00 0.00 174.62 174.85 3lme s ILE 39 N -2.35 2.41 -0.22 1.82 -1.09 -1.26 -4.58 121.20 115.92 3lme s ILE 39 Ca 0.23 0.24 -0.04 0.00 -2.23 0.00 0.00 60.65 58.85 3lme s ILE 39 Cb -0.05 -3.04 -0.01 0.00 -1.58 0.00 0.00 42.46 37.78 3lme s ILE 39 CO 0.10 -0.06 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.81 3lme s THR 40 N -1.60 3.36 0.31 2.92 2.01 -1.26 -4.66 115.64 116.72 3lme s THR 40 Ca 0.78 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 3lme s THR 40 Cb -0.32 -2.52 -0.13 0.00 0.01 0.00 0.00 72.50 69.54 3lme s THR 40 CO 0.37 0.43 1.31 -2.65 -0.69 0.00 0.00 174.62 173.38 3lme n PRO 41 N 4.78 2.06 -2.83 4.92 -0.02 -1.26 -4.96 135.00 137.70 3lme n PRO 41 Ca -0.18 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 61.91 3lme n PRO 41 Cb 0.51 -2.31 0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3lme n PRO 41 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3lme n SER 42 N 1.17 0.86 -2.71 2.55 3.41 -1.26 -5.10 113.62 112.55 3lme n SER 42 Ca 0.07 -2.83 0.01 0.00 -0.26 0.00 0.00 58.87 55.86 3lme n SER 42 Cb 0.35 -0.35 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3lme n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lme n GLY 43 N 0.02 0.47 2.76 5.00 0.00 -1.26 -5.02 105.19 107.16 3lme n GLY 43 Ca 0.13 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3lme n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3lme n THR 44 N -0.55 4.21 -3.53 2.61 -2.24 -1.26 -4.86 114.28 108.67 3lme n THR 44 Ca 0.02 -3.94 -0.08 0.00 -2.27 0.00 0.00 64.05 57.78 3lme n THR 44 Cb 0.36 -2.41 -0.02 0.00 -2.10 0.00 0.00 70.33 66.17 3lme n THR 44 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3lme s TRP 45 N 1.02 -0.31 0.32 4.78 1.48 -1.26 -5.18 118.94 119.80 3lme s TRP 45 Ca 0.45 0.17 0.09 0.00 -1.06 0.00 0.00 56.10 55.75 3lme s TRP 45 Cb 0.12 0.54 -0.05 0.00 -1.16 0.00 0.00 33.47 32.92 3lme s TRP 45 CO -0.03 -0.52 -0.01 -1.12 -4.06 0.00 0.00 176.95 171.21 3lme s SER 46 N -2.48 4.20 0.27 -2.66 0.01 -1.26 -4.78 113.70 107.01 3lme s SER 46 Ca 0.06 -0.91 0.11 0.00 1.31 0.00 0.00 55.95 56.52 3lme s SER 46 Cb -0.01 -0.58 0.32 0.00 0.21 0.00 0.00 66.02 65.96 3lme s SER 46 CO -0.08 -0.15 1.58 0.16 0.41 0.00 0.00 173.24 175.16 3lme h ILE 47 N 1.87 1.38 0.00 1.44 3.07 -1.94 -3.41 117.51 119.92 3lme h ILE 47 Ca -0.43 -2.22 0.00 0.00 1.55 0.00 0.00 64.86 63.77 3lme h ILE 47 Cb 1.25 2.22 0.00 0.00 -0.27 0.00 0.00 36.82 40.02 3lme h ILE 47 CO 0.64 0.62 0.00 0.61 -1.05 0.00 0.00 178.15 178.97 3lme n GLY 48 N 0.43 -1.65 3.14 0.16 0.00 -1.26 -1.58 105.19 104.43 3lme n GLY 48 Ca -0.01 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 3lme n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lme s ALA 49 N -1.63 -0.67 -0.10 4.61 0.00 -0.47 -0.54 121.76 122.96 3lme s ALA 49 Ca 0.00 0.84 -0.26 0.00 0.00 0.00 0.00 51.96 52.54 3lme s ALA 49 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3lme s ALA 49 CO 0.00 -0.15 0.86 0.50 0.00 0.00 0.00 175.76 176.97 3lme s ARG 50 N 0.40 4.40 -0.30 0.00 3.52 -0.34 -1.43 118.95 125.21 3lme s ARG 50 Ca -0.02 1.13 0.02 0.00 -0.13 0.00 0.00 55.73 56.72 3lme s ARG 50 Cb -0.04 -3.52 0.09 0.00 -1.56 0.00 0.00 34.95 29.93 3lme s ARG 50 CO -0.02 -0.18 0.03 0.00 -0.81 0.00 0.00 175.30 174.33 3lme s ALA 51 N 1.57 2.29 0.00 6.12 0.00 0.25 -1.34 121.76 130.65 3lme s ALA 51 Ca 0.42 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3lme s ALA 51 Cb -0.18 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3lme s ALA 51 CO 0.18 -1.54 0.00 0.41 0.00 0.00 0.00 175.76 174.80 3lme n GLY 52 N 4.52 3.76 0.03 0.00 0.00 -1.26 -1.35 105.19 110.89 3lme n GLY 52 Ca -0.02 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3lme n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3lme n ASP 53 N 9.40 0.38 -4.95 1.61 8.00 -1.26 -4.75 116.55 124.97 3lme n ASP 53 Ca 0.00 -0.11 -0.24 0.00 0.71 0.00 0.00 54.79 55.15 3lme n ASP 53 Cb 0.00 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 3lme n ASP 53 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3lme s PHE 54 N -2.90 3.47 -0.11 1.24 0.08 -0.46 -1.26 117.98 118.04 3lme s PHE 54 Ca 0.15 0.10 -0.02 0.00 0.12 0.00 0.00 56.93 57.28 3lme s PHE 54 Cb 0.18 -1.66 0.04 0.00 -0.57 0.00 0.00 43.02 41.01 3lme s PHE 54 CO 0.61 0.44 0.01 0.08 -0.10 0.00 0.00 175.22 176.25 3lme s VAL 55 N -1.91 0.45 -0.21 -0.44 1.01 -0.29 -0.59 120.40 118.43 3lme s VAL 55 Ca 0.35 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 3lme s VAL 55 Cb -0.10 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3lme s VAL 55 CO 0.29 0.14 0.05 -0.36 0.00 0.00 0.00 175.10 175.23 3lme s PHE 56 N 1.93 3.14 -0.12 5.22 0.08 -0.51 0.69 117.98 128.41 3lme s PHE 56 Ca 0.03 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 56.89 3lme s PHE 56 Cb -0.13 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 3lme s PHE 56 CO -0.06 -0.09 -0.07 0.42 -0.10 0.00 0.00 175.22 175.32 3lme s ILE 57 N 0.88 3.59 0.74 0.64 -1.09 0.09 -1.37 121.20 124.69 3lme s ILE 57 Ca 0.03 -0.48 -0.11 0.00 -2.23 0.00 0.00 60.65 57.86 3lme s ILE 57 Cb -0.14 -2.53 0.04 0.00 -1.58 0.00 0.00 42.46 38.25 3lme s ILE 57 CO 0.02 0.53 1.08 -0.83 -1.23 0.00 0.00 174.94 174.51 3lme s GLY 58 N 0.04 1.65 0.05 6.18 0.00 -0.61 -3.39 107.32 111.25 3lme s GLY 58 Ca -0.02 0.01 -0.38 0.00 0.00 0.00 0.00 44.72 44.34 3lme s GLY 58 CO 0.03 0.36 1.11 0.61 0.00 0.00 0.00 173.10 175.21 3lme n GLY 59 N -1.91 -0.17 3.36 0.20 0.00 -1.26 -4.78 105.19 100.63 3lme n GLY 59 Ca 0.07 0.70 -0.31 0.00 0.00 0.00 0.00 46.02 46.48 3lme n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3lme s MET 60 N 0.02 2.07 0.31 1.61 1.00 -0.47 -4.90 119.30 118.94 3lme s MET 60 Ca 0.86 -0.95 0.09 0.00 0.00 0.00 0.00 55.69 55.68 3lme s MET 60 Cb -1.13 -2.08 -0.05 0.00 0.00 0.00 0.00 34.83 31.57 3lme s MET 60 CO 0.54 0.55 0.05 -1.01 0.00 0.00 0.00 175.02 175.15 3lme s HIS 61 N -0.71 2.66 -0.73 -0.03 3.76 -1.26 -1.69 115.29 117.29 3lme s HIS 61 Ca 0.11 -0.33 -0.06 0.00 -0.15 0.00 0.00 55.06 54.63 3lme s HIS 61 Cb -0.10 -1.42 -0.13 0.00 1.11 0.00 0.00 32.58 32.05 3lme s HIS 61 CO 0.01 0.49 2.66 0.41 -0.85 0.00 0.00 174.74 177.46 3lme n GLY 62 N -0.99 3.17 3.98 -2.22 0.00 -1.26 -4.11 105.19 103.76 3lme n GLY 62 Ca -0.05 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 3lme n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lme s THR 63 N 2.28 4.13 -0.20 2.61 -4.23 -1.26 -2.45 115.64 116.52 3lme s THR 63 Ca 0.52 -1.02 -0.14 0.00 -1.18 0.00 0.00 61.69 59.87 3lme s THR 63 Cb 0.18 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 3lme s THR 63 CO -0.03 -0.17 0.32 -0.62 -0.54 0.00 0.00 174.62 173.58 3lme s ASP 64 N -4.15 6.36 0.53 3.99 -1.08 -0.75 -4.90 116.67 116.67 3lme s ASP 64 Ca 0.44 0.42 0.34 0.00 -0.52 0.00 0.00 52.55 53.23 3lme s ASP 64 Cb -0.09 -2.19 1.86 0.00 -1.46 0.00 0.00 42.92 41.04 3lme s ASP 64 CO 0.31 -0.00 2.04 0.08 0.52 0.00 0.00 175.17 178.11 3lme h ARG 65 N 7.25 0.00 0.00 4.34 0.11 -1.92 0.44 114.38 124.60 3lme h ARG 65 Ca -0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.70 3lme h ARG 65 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3lme h ARG 65 CO 0.71 0.00 -0.85 0.28 0.10 0.00 0.00 179.97 180.21 3lme n VAL 66 N -2.72 1.43 -0.06 0.08 0.31 -1.26 -4.48 118.33 111.63 3lme n VAL 66 Ca -0.02 0.17 -0.11 0.00 -0.01 0.00 0.00 64.34 64.36 3lme n VAL 66 Cb 0.08 -2.33 -0.05 0.00 -0.91 0.00 0.00 33.84 30.63 3lme n VAL 66 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3lme h THR 67 N -0.96 1.24 0.00 2.52 1.35 -1.98 -3.47 112.91 111.60 3lme h THR 67 Ca 0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3lme h THR 67 Cb 0.85 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3lme h THR 67 CO 0.00 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 3lme n GLY 68 N -0.37 0.74 3.78 5.82 0.00 0.15 -5.01 105.19 110.30 3lme n GLY 68 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3lme n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lme s LYS 69 N -0.54 4.37 0.42 1.61 -0.14 -1.26 -4.67 119.74 119.53 3lme s LYS 69 Ca 0.00 0.89 -0.26 0.00 -1.36 0.00 0.00 55.97 55.24 3lme s LYS 69 Cb 0.00 -3.29 -0.09 0.00 -1.68 0.00 0.00 37.83 32.77 3lme s LYS 69 CO 0.00 0.50 1.46 -1.33 -0.76 0.00 0.00 175.35 175.22 3lme n MET 70 N 2.09 2.43 -2.16 1.68 2.81 -1.26 -1.81 117.12 120.90 3lme n MET 70 Ca -0.07 0.86 -0.31 0.00 -1.81 0.00 0.00 57.70 56.36 3lme n MET 70 Cb 0.50 -2.65 -0.01 0.00 -0.71 0.00 0.00 33.22 30.35 3lme n MET 70 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3lme s VAL 71 N -1.16 4.65 0.17 2.03 1.01 -1.02 -4.92 120.40 121.16 3lme s VAL 71 Ca 0.58 0.99 0.04 0.00 0.00 0.00 0.00 61.98 63.59 3lme s VAL 71 Cb -0.46 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3lme s VAL 71 CO 0.60 -0.92 0.23 -1.81 0.00 0.00 0.00 175.10 173.20 3lme s ASP 72 N -3.67 5.96 0.00 3.32 1.01 -1.26 -4.61 116.67 117.41 3lme s ASP 72 Ca 0.56 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.83 3lme s ASP 72 Cb -0.10 -1.68 0.00 0.00 1.01 0.00 0.00 42.92 42.14 3lme s ASP 72 CO 0.43 0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.46 3lme n GLY 73 N -0.63 0.95 0.24 0.21 0.00 -1.26 -4.66 105.19 100.04 3lme n GLY 73 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 3lme n GLY 73 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lme h ASP 74 N 0.00 -0.46 -0.34 1.61 5.19 -2.00 -0.86 116.42 119.56 3lme h ASP 74 Ca 0.00 -0.11 -0.06 0.00 -0.62 0.00 0.00 57.03 56.23 3lme h ASP 74 Cb 0.00 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 3lme h ASP 74 CO 0.00 -0.12 -0.03 -0.08 -3.12 0.00 0.00 179.24 175.88 3lme h GLU 75 N -0.82 0.63 -0.73 3.56 4.81 -1.96 -2.55 114.58 117.52 3lme h GLU 75 Ca -0.06 -0.22 0.13 0.00 -0.13 0.00 0.00 59.36 59.08 3lme h GLU 75 Cb 0.54 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 3lme h GLU 75 CO 0.09 0.77 0.49 0.00 -0.73 0.00 0.00 179.01 179.63 3lme h ALA 76 N 0.84 2.02 -0.08 2.92 0.00 -1.81 0.46 119.26 123.61 3lme h ALA 76 Ca 0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3lme h ALA 76 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3lme h ALA 76 CO 0.02 -0.20 -0.19 -0.09 0.00 0.00 0.00 179.25 178.79 3lme h ARG 77 N 0.48 0.26 -0.51 0.00 2.43 -0.91 -1.35 114.38 114.78 3lme h ARG 77 Ca 0.35 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 59.22 3lme h ARG 77 Cb 0.71 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 3lme h ARG 77 CO -0.12 0.79 -0.15 0.82 -1.51 0.00 0.00 179.97 179.81 3lme h ILE 78 N -0.22 1.27 -0.29 1.20 2.04 -0.98 0.31 117.51 120.84 3lme h ILE 78 Ca -0.00 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.58 3lme h ILE 78 Cb 0.80 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3lme h ILE 78 CO 0.04 0.45 0.13 -0.09 0.00 0.00 0.00 178.15 178.69 3lme h ARG 79 N 0.87 0.27 -0.61 2.37 9.65 -0.13 -2.38 114.38 124.42 3lme h ARG 79 Ca 0.13 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.03 3lme h ARG 79 Cb 0.71 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.18 3lme h ARG 79 CO 0.05 0.18 0.37 -0.09 2.80 0.00 0.00 179.97 183.28 3lme h ARG 80 N 0.28 0.69 -0.25 0.20 9.65 -0.47 -1.28 114.38 123.21 3lme h ARG 80 Ca 0.12 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 3lme h ARG 80 Cb 0.05 -0.16 -0.08 0.00 -1.39 0.00 0.00 29.97 28.40 3lme h ARG 80 CO -0.09 0.46 -0.41 1.98 2.80 0.00 0.00 179.97 184.70 3lme h MET 81 N 0.71 -0.40 -0.27 0.20 4.05 -0.71 -0.02 114.93 118.50 3lme h MET 81 Ca 0.25 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.75 3lme h MET 81 Cb 0.06 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.91 3lme h MET 81 CO -0.12 -0.26 -0.02 0.74 0.23 0.00 0.00 176.91 177.48 3lme h PHE 82 N -0.41 -0.05 -0.85 1.39 0.04 -0.88 -1.37 116.94 114.81 3lme h PHE 82 Ca 0.10 0.02 0.10 0.00 2.80 0.00 0.00 57.97 61.00 3lme h PHE 82 Cb 0.60 0.06 -0.08 0.00 2.20 0.00 0.00 35.95 38.74 3lme h PHE 82 CO -0.53 -0.06 0.49 -0.44 -0.60 0.00 0.00 178.31 177.17 3lme h ASP 83 N 0.06 0.70 -0.39 2.17 3.32 -0.86 0.14 116.42 121.56 3lme h ASP 83 Ca 0.13 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 3lme h ASP 83 Cb 0.17 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3lme h ASP 83 CO -0.23 0.39 -0.01 0.78 -1.72 0.00 0.00 179.24 178.45 3lme h ASN 84 N 0.81 0.69 0.01 6.45 -0.26 -0.72 -0.93 115.58 121.62 3lme h ASN 84 Ca 0.41 -0.32 0.02 0.00 -0.56 0.00 0.00 56.30 55.85 3lme h ASN 84 Cb 0.39 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 3lme h ASN 84 CO -0.26 0.83 -0.10 -0.03 -1.06 0.00 0.00 177.43 176.82 3lme h MET 85 N 0.52 -0.17 0.00 0.81 4.05 -0.48 -2.01 114.93 117.65 3lme h MET 85 Ca 0.11 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.48 3lme h MET 85 Cb 0.49 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 3lme h MET 85 CO 0.02 -0.11 -0.31 -0.07 0.23 0.00 0.00 176.91 176.67 3lme h LEU 86 N -0.18 0.00 -0.23 3.39 3.38 -0.70 -0.87 115.31 120.11 3lme h LEU 86 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3lme h LEU 86 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3lme h LEU 86 CO -0.10 0.31 -0.35 0.00 0.09 0.00 0.00 178.44 178.40 3lme h ALA 87 N 1.69 0.35 -0.43 1.53 0.00 -1.00 0.98 119.26 122.37 3lme h ALA 87 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3lme h ALA 87 Cb 0.70 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3lme h ALA 87 CO 0.04 0.40 0.28 0.00 0.00 0.00 0.00 179.25 179.97 3lme h ALA 88 N 0.63 0.55 -0.27 0.00 0.00 -0.84 -2.05 119.26 117.28 3lme h ALA 88 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3lme h ALA 88 Cb 0.93 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3lme h ALA 88 CO 0.08 0.02 0.16 0.00 0.00 0.00 0.00 179.25 179.51 3lme h ALA 89 N 1.14 0.34 -0.82 0.00 0.00 -1.02 -2.49 119.26 116.40 3lme h ALA 89 Ca 0.16 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.22 3lme h ALA 89 Cb -0.04 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.57 3lme h ALA 89 CO -0.03 -0.22 0.36 0.93 0.00 0.00 0.00 179.25 180.29 3lme h GLU 90 N 0.33 0.47 0.00 0.00 4.39 -0.32 -0.76 114.58 118.69 3lme h GLU 90 Ca 0.11 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3lme h GLU 90 Cb -0.01 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3lme h GLU 90 CO -0.05 0.31 0.00 0.00 -1.16 0.00 0.00 179.01 178.11 3lme h ALA 91 N 1.59 1.00 -0.16 3.43 0.00 -0.90 0.40 119.26 124.62 3lme h ALA 91 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3lme h ALA 91 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3lme h ALA 91 CO -0.42 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3lme n ALA 92 N -1.84 2.33 -1.40 0.00 0.00 -0.56 -4.95 120.51 114.08 3lme n ALA 92 Ca -0.01 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.77 3lme n ALA 92 Cb 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.19 3lme n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lme n GLY 93 N -0.39 0.40 3.43 0.00 0.00 0.13 -5.01 105.19 103.75 3lme n GLY 93 Ca 0.11 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 3lme n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lme s ALA 94 N -2.00 2.51 0.47 4.61 0.00 -0.40 -4.86 121.76 122.09 3lme s ALA 94 Ca 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.91 3lme s ALA 94 Cb 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 3lme s ALA 94 CO 0.00 0.56 0.26 0.95 0.00 0.00 0.00 175.76 177.52 3lme s THR 95 N -0.79 1.96 0.51 0.00 -4.23 -1.26 -2.21 115.64 109.63 3lme s THR 95 Ca 0.12 -1.63 0.22 0.00 -1.18 0.00 0.00 61.69 59.23 3lme s THR 95 Cb -0.10 -2.59 0.36 0.00 1.34 0.00 0.00 72.50 71.51 3lme s THR 95 CO 0.02 0.00 2.02 0.07 -0.54 0.00 0.00 174.62 176.19 3lme h LYS 96 N 1.13 0.06 0.00 3.99 2.10 -2.00 -0.76 116.57 121.09 3lme h LYS 96 Ca -0.41 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 3lme h LYS 96 Cb 1.28 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3lme h LYS 96 CO 0.65 0.04 0.00 0.00 -2.00 0.00 0.00 179.45 178.14 3lme n ALA 97 N -2.61 1.87 1.12 0.07 0.00 -1.26 -2.86 120.51 116.85 3lme n ALA 97 Ca 0.08 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3lme n ALA 97 Cb 0.48 -1.29 0.19 0.00 0.00 0.00 0.00 19.45 18.83 3lme n ALA 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3lme n ASP 98 N -1.42 2.27 -4.66 0.00 8.00 -0.29 -4.95 116.55 115.50 3lme n ASP 98 Ca 0.06 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.46 3lme n ASP 98 Cb 0.18 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 3lme n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3lme s ALA 99 N -2.16 3.62 -0.41 2.24 0.00 -1.14 -0.26 121.76 123.65 3lme s ALA 99 Ca 0.27 1.05 0.19 0.00 0.00 0.00 0.00 51.96 53.47 3lme s ALA 99 Cb 0.20 -3.76 -0.25 0.00 0.00 0.00 0.00 23.12 19.31 3lme s ALA 99 CO 0.39 -1.39 0.58 1.33 0.00 0.00 0.00 175.76 176.67 3lme n VAL 100 N 5.40 0.00 -3.64 0.00 0.24 0.14 -4.61 118.33 115.87 3lme n VAL 100 Ca 0.18 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 62.12 3lme n VAL 100 Cb 0.42 0.49 -0.07 0.00 -1.47 0.00 0.00 33.84 33.21 3lme n VAL 100 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3lme s ARG 101 N -3.05 0.73 -0.14 7.34 3.52 -1.12 -4.30 118.95 121.94 3lme s ARG 101 Ca -0.01 1.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 3lme s ARG 101 Cb 0.13 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.75 3lme s ARG 101 CO 0.77 -0.12 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.49 3lme s LEU 102 N 1.11 2.60 -0.20 -0.88 1.43 -0.04 -1.66 118.68 121.03 3lme s LEU 102 Ca -0.06 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3lme s LEU 102 Cb -0.05 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 3lme s LEU 102 CO -0.12 0.13 -0.05 -0.89 0.23 0.00 0.00 176.35 175.65 3lme s THR 103 N 0.55 3.40 -0.11 5.49 2.01 0.24 -1.64 115.64 125.57 3lme s THR 103 Ca -0.09 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.44 3lme s THR 103 Cb -0.16 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.82 3lme s THR 103 CO 0.04 0.44 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.53 3lme s VAL 104 N 1.24 2.51 -0.19 3.82 1.01 0.21 -0.28 120.40 128.73 3lme s VAL 104 Ca 0.03 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3lme s VAL 104 Cb -0.14 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3lme s VAL 104 CO -0.02 0.54 -0.15 -0.36 0.00 0.00 0.00 175.10 175.11 3lme s PHE 105 N 0.33 2.82 0.36 5.22 0.08 0.64 -1.03 117.98 126.40 3lme s PHE 105 Ca -0.15 -1.40 0.06 0.00 0.12 0.00 0.00 56.93 55.56 3lme s PHE 105 Cb -0.17 -1.96 -0.07 0.00 -0.57 0.00 0.00 43.02 40.25 3lme s PHE 105 CO 0.07 -0.71 0.00 0.14 -0.10 0.00 0.00 175.22 174.63 3lme s VAL 106 N 1.29 1.72 -0.87 -0.44 -7.23 0.16 -0.53 120.40 114.49 3lme s VAL 106 Ca 0.04 -2.04 0.21 0.00 -1.81 0.00 0.00 61.98 58.38 3lme s VAL 106 Cb -0.14 -2.82 -0.24 0.00 0.56 0.00 0.00 36.38 33.75 3lme s VAL 106 CO -0.09 -0.07 0.84 1.07 -0.31 0.00 0.00 175.10 176.54 3lme n THR 107 N -0.80 0.00 -3.21 5.32 5.66 -0.56 0.12 114.28 120.80 3lme n THR 107 Ca -0.04 -0.06 -0.01 0.00 -3.05 0.00 0.00 64.05 60.88 3lme n THR 107 Cb 0.66 0.88 -0.02 0.00 -1.55 0.00 0.00 70.33 70.30 3lme n THR 107 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3lme s ASP 108 N -3.17 -1.00 0.16 1.09 -1.08 -1.26 -4.64 116.67 106.76 3lme s ASP 108 Ca 0.06 -0.37 -0.16 0.00 -0.52 0.00 0.00 52.55 51.57 3lme s ASP 108 Cb 0.16 1.72 0.04 0.00 -1.46 0.00 0.00 42.92 43.38 3lme s ASP 108 CO 0.87 -0.27 1.81 1.62 0.52 0.00 0.00 175.17 179.72 3lme h VAL 109 N 5.64 1.08 -0.12 1.11 3.04 -1.90 -0.58 116.25 124.52 3lme h VAL 109 Ca -0.00 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 3lme h VAL 109 Cb 1.16 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 3lme h VAL 109 CO 0.16 0.10 0.05 0.00 -1.01 0.00 0.00 177.57 176.87 3lme h ALA 110 N 1.17 1.86 0.07 3.17 0.00 -2.01 -2.39 119.26 121.14 3lme h ALA 110 Ca 0.16 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.71 3lme h ALA 110 Cb -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3lme h ALA 110 CO -0.06 0.11 -1.87 1.17 0.00 0.00 0.00 179.25 178.61 3lme n LYS 111 N -4.49 0.70 -0.02 0.00 4.81 -0.94 -4.63 118.16 113.59 3lme n LYS 111 Ca -0.01 0.28 0.07 0.00 -0.87 0.00 0.00 58.31 57.77 3lme n LYS 111 Cb 0.11 -1.75 -0.14 0.00 0.02 0.00 0.00 35.03 33.27 3lme n LYS 111 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3lme n TYR 112 N -3.28 0.00 -0.35 5.64 4.01 -0.27 -4.36 117.16 118.56 3lme n TYR 112 Ca -0.25 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.55 3lme n TYR 112 Cb 1.05 -0.46 0.24 0.00 -0.31 0.00 0.00 39.34 39.87 3lme n TYR 112 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3lme h ARG 113 N 0.00 0.97 -0.64 -0.72 2.43 -1.64 -0.72 114.38 114.07 3lme h ARG 113 Ca -0.06 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3lme h ARG 113 Cb 0.97 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 3lme h ARG 113 CO 0.00 0.64 0.38 -1.35 -1.51 0.00 0.00 179.97 178.14 3lme h PRO 114 N 1.00 0.72 -0.32 0.20 0.11 -1.81 0.13 132.00 132.03 3lme h PRO 114 Ca 0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.47 3lme h PRO 114 Cb 0.43 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3lme h PRO 114 CO -0.23 0.48 -0.05 0.28 -0.21 0.00 0.00 178.00 178.26 3lme h VAL 115 N 0.74 1.27 -0.21 3.15 2.07 -1.45 0.56 116.25 122.38 3lme h VAL 115 Ca 0.26 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3lme h VAL 115 Cb 0.06 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 3lme h VAL 115 CO -0.12 0.35 -0.36 0.58 0.02 0.00 0.00 177.57 178.03 3lme h VAL 116 N 0.37 0.22 -0.71 2.57 2.07 -1.07 0.31 116.25 120.00 3lme h VAL 116 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 3lme h VAL 116 Cb 0.53 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 3lme h VAL 116 CO 0.03 0.00 0.36 0.78 0.02 0.00 0.00 177.57 178.76 3lme h ASN 117 N -0.39 0.49 -0.18 0.57 2.35 -0.46 -0.58 115.58 117.38 3lme h ASN 117 Ca 0.11 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3lme h ASN 117 Cb 0.57 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3lme h ASN 117 CO -0.43 0.28 0.08 0.50 -1.65 0.00 0.00 177.43 176.22 3lme h LYS 118 N 0.62 0.26 -0.74 0.81 3.11 -0.24 0.12 116.57 120.52 3lme h LYS 118 Ca 0.35 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 58.13 3lme h LYS 118 Cb 0.34 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.49 3lme h LYS 118 CO -0.26 0.30 0.38 0.28 -2.81 0.00 0.00 179.45 177.34 3lme h VAL 119 N 0.16 1.23 -0.10 2.00 2.07 -0.06 -1.49 116.25 120.06 3lme h VAL 119 Ca 0.06 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 3lme h VAL 119 Cb 0.13 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3lme h VAL 119 CO -0.01 0.26 -0.43 1.56 0.02 0.00 0.00 177.57 178.98 3lme h GLN 120 N 1.04 0.23 -0.20 1.57 4.20 -0.69 -2.12 115.11 119.13 3lme h GLN 120 Ca 0.26 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 3lme h GLN 120 Cb 0.07 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3lme h GLN 120 CO -0.04 0.62 -0.31 0.87 -0.67 0.00 0.00 178.83 179.31 3lme h LYS 121 N 0.19 0.40 0.00 1.46 1.57 0.05 -1.17 116.57 119.08 3lme h LYS 121 Ca 0.01 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3lme h LYS 121 Cb 0.84 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 3lme h LYS 121 CO 0.07 0.67 -0.15 -0.44 -0.57 0.00 0.00 179.45 179.03 3lme h ASP 122 N 0.35 0.00 0.00 0.86 3.32 -0.63 -1.63 116.42 118.70 3lme h ASP 122 Ca 0.05 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.66 3lme h ASP 122 Cb 0.72 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.20 3lme h ASP 122 CO 0.05 0.15 -2.40 -0.38 -1.72 0.00 0.00 179.24 174.94 3lme n ILE 123 N -4.31 1.53 1.00 0.35 5.41 -1.04 -4.48 119.36 117.83 3lme n ILE 123 Ca -0.03 -0.35 0.12 0.00 1.00 0.00 0.00 62.75 63.49 3lme n ILE 123 Cb 0.22 -1.89 0.32 0.00 -0.71 0.00 0.00 39.64 37.57 3lme n ILE 123 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 3lme n TRP 124 N -4.25 0.21 -1.36 1.39 8.01 -0.46 -5.05 117.44 115.94 3lme n TRP 124 Ca -0.52 -0.11 0.00 0.00 -1.31 0.00 0.00 57.50 55.57 3lme n TRP 124 Cb 0.87 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.17 3lme n TRP 124 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3lme n GLY 125 N 1.27 3.27 1.25 6.99 0.00 -0.61 -1.95 105.19 115.41 3lme n GLY 125 Ca 0.17 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3lme n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3lme n ASP 126 N 3.29 3.64 0.00 1.61 5.75 -1.26 -4.59 116.55 124.98 3lme n ASP 126 Ca 0.00 -2.24 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 3lme n ASP 126 Cb 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 3lme n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3lme n GLY 127 N 1.13 -0.75 3.53 6.12 0.00 -0.82 -4.92 105.19 109.49 3lme n GLY 127 Ca 0.20 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 3lme n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3lme s PRO 128 N 0.00 -0.66 0.36 1.61 0.04 -1.26 -5.08 135.00 130.00 3lme s PRO 128 Ca 0.00 0.73 0.09 0.00 0.04 0.00 0.00 61.00 61.86 3lme s PRO 128 Cb 0.00 -1.59 -0.07 0.00 0.04 0.00 0.00 34.50 32.88 3lme s PRO 128 CO 0.00 -3.52 -0.06 0.71 0.04 0.00 0.00 177.00 174.17 3lme s TYR 129 N -2.59 2.40 0.58 0.56 2.02 -1.26 -5.01 117.35 114.05 3lme s TYR 129 Ca 0.68 -0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 56.65 3lme s TYR 129 Cb -0.23 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 3lme s TYR 129 CO 0.63 0.52 1.05 -2.14 -1.57 0.00 0.00 175.55 174.04 3lme s PRO 130 N -3.65 3.38 0.38 -1.71 0.02 -1.26 -4.98 135.00 127.17 3lme s PRO 130 Ca 0.33 1.21 -0.28 0.00 0.02 0.00 0.00 61.00 62.28 3lme s PRO 130 Cb 0.05 -2.04 -0.11 0.00 0.02 0.00 0.00 34.50 32.41 3lme s PRO 130 CO 0.17 -0.76 1.43 -2.30 -0.33 0.00 0.00 177.00 175.21 3lme n PRO 131 N -1.93 2.50 -4.00 5.54 -0.02 -1.26 -4.86 135.00 130.96 3lme n PRO 131 Ca 0.09 0.88 -0.09 0.00 -2.02 0.00 0.00 63.50 62.35 3lme n PRO 131 Cb 0.53 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 3lme n PRO 131 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3lme s ARG 132 N -2.08 0.98 -0.21 -0.52 3.52 -1.26 -0.86 118.95 118.51 3lme s ARG 132 Ca 0.54 -1.21 -0.17 0.00 -0.13 0.00 0.00 55.73 54.77 3lme s ARG 132 Cb -0.50 0.32 0.06 0.00 -1.56 0.00 0.00 34.95 33.27 3lme s ARG 132 CO 0.63 -0.32 0.55 -0.08 -0.81 0.00 0.00 175.30 175.27 3lme s THR 133 N -3.96 -0.00 -0.18 4.11 -1.32 -0.65 -4.93 115.64 108.69 3lme s THR 133 Ca 0.16 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 3lme s THR 133 Cb 0.05 -0.77 0.04 0.00 -1.51 0.00 0.00 72.50 70.31 3lme s THR 133 CO -0.03 0.01 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.63 3lme s VAL 134 N 0.70 1.33 0.02 5.08 1.01 -1.26 -0.62 120.40 126.65 3lme s VAL 134 Ca -0.03 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3lme s VAL 134 Cb -0.05 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3lme s VAL 134 CO -0.05 0.13 -0.15 -0.76 0.00 0.00 0.00 175.10 174.27 3lme s LEU 135 N 1.53 2.74 0.20 3.92 1.43 -0.20 -5.00 118.68 123.31 3lme s LEU 135 Ca -0.00 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 3lme s LEU 135 Cb -0.16 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.39 3lme s LEU 135 CO -0.08 0.28 0.98 -1.58 0.23 0.00 0.00 176.35 176.18 3lme s GLN 136 N -1.29 4.76 -0.00 1.70 0.74 -1.26 -0.67 119.66 123.64 3lme s GLN 136 Ca 0.15 1.54 0.01 0.00 0.05 0.00 0.00 55.36 57.10 3lme s GLN 136 Cb -0.11 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.71 3lme s GLN 136 CO 0.05 0.35 -0.02 0.08 -0.55 0.00 0.00 175.29 175.20 3lme s VAL 137 N -0.75 0.14 0.28 1.34 1.01 0.32 -4.89 120.40 117.87 3lme s VAL 137 Ca 0.44 -0.06 0.21 0.00 0.00 0.00 0.00 61.98 62.57 3lme s VAL 137 Cb -0.26 -0.14 0.19 0.00 0.00 0.00 0.00 36.38 36.17 3lme s VAL 137 CO 0.33 0.05 1.87 -0.65 0.00 0.00 0.00 175.10 176.70 3lme h PRO 138 N 6.21 0.00 -2.01 2.72 0.11 -1.88 -3.37 132.00 133.77 3lme h PRO 138 Ca -0.27 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3lme h PRO 138 Cb 1.20 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.12 3lme h PRO 138 CO 0.50 0.27 0.26 0.00 -0.21 0.00 0.00 178.00 178.83 3lme s ALA 139 N -3.93 -1.78 0.27 -0.75 0.00 -1.26 -5.03 121.76 109.28 3lme s ALA 139 Ca -0.01 1.29 0.04 0.00 0.00 0.00 0.00 51.96 53.28 3lme s ALA 139 Cb 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.15 3lme s ALA 139 CO 0.66 -0.40 0.00 -0.51 0.00 0.00 0.00 175.76 175.51 3lme s LEU 140 N -1.33 2.24 0.19 0.00 1.43 -1.26 -5.07 118.68 114.88 3lme s LEU 140 Ca -0.08 -1.26 -0.33 0.00 -1.03 0.00 0.00 54.13 51.43 3lme s LEU 140 Cb -0.00 -0.38 -0.13 0.00 0.03 0.00 0.00 46.19 45.71 3lme s LEU 140 CO 0.06 -0.50 1.63 -0.67 0.23 0.00 0.00 176.35 177.10 3lme n ASP 141 N -0.53 3.47 0.00 2.29 2.03 -1.26 -1.77 116.55 120.78 3lme n ASP 141 Ca -0.04 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.35 3lme n ASP 141 Cb 0.65 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 3lme n ASP 141 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3lme n GLN 142 N 3.50 0.00 -2.53 -0.67 7.27 -1.26 -3.17 117.38 120.52 3lme n GLN 142 Ca 0.16 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.09 3lme n GLN 142 Cb 0.32 -1.73 0.01 0.00 2.41 0.00 0.00 30.24 31.25 3lme n GLN 142 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3lme n GLY 143 N -2.01 -0.12 3.72 1.69 0.00 -0.73 -5.02 105.19 102.72 3lme n GLY 143 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 3lme n GLY 143 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3lme s ASP 144 N -2.63 3.47 0.18 1.61 -1.08 -1.19 -4.93 116.67 112.10 3lme s ASP 144 Ca 0.11 1.47 0.20 0.00 -0.52 0.00 0.00 52.55 53.81 3lme s ASP 144 Cb -0.05 -2.15 -0.01 0.00 -1.46 0.00 0.00 42.92 39.25 3lme s ASP 144 CO 0.13 -2.64 1.05 0.16 0.52 0.00 0.00 175.17 174.39 3lme h ILE 145 N -1.55 0.21 -2.90 4.11 3.07 -1.94 -3.41 117.51 115.11 3lme h ILE 145 Ca -0.50 -1.39 -0.13 0.00 1.55 0.00 0.00 64.86 64.39 3lme h ILE 145 Cb 1.28 1.77 -0.23 0.00 -0.27 0.00 0.00 36.82 39.37 3lme h ILE 145 CO 0.55 0.12 -0.28 0.00 -1.05 0.00 0.00 178.15 177.48 3lme s ALA 146 N -3.19 -0.87 0.01 0.16 0.00 -1.26 -1.50 121.76 115.11 3lme s ALA 146 Ca -0.00 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 3lme s ALA 146 Cb 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3lme s ALA 146 CO 0.78 -0.20 0.01 -2.00 0.00 0.00 0.00 175.76 174.36 3lme s GLU 147 N -0.25 0.24 -0.01 0.00 2.12 0.31 -4.43 118.70 116.68 3lme s GLU 147 Ca -0.04 -0.38 0.05 0.00 0.36 0.00 0.00 54.97 54.97 3lme s GLU 147 Cb -0.03 0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.44 3lme s GLU 147 CO 0.02 -0.04 -0.18 -1.50 -0.54 0.00 0.00 175.26 173.02 3lme s ILE 148 N -0.99 1.39 -0.20 -3.70 2.07 -0.68 -0.26 121.20 118.83 3lme s ILE 148 Ca -0.11 -0.78 -0.06 0.00 -1.41 0.00 0.00 60.65 58.30 3lme s ILE 148 Cb -0.07 -1.16 -0.03 0.00 0.13 0.00 0.00 42.46 41.34 3lme s ILE 148 CO -0.00 0.37 0.02 -1.81 -1.91 0.00 0.00 174.94 171.60 3lme s ASP 149 N -0.47 4.96 -0.06 4.50 1.01 0.62 -1.37 116.67 125.86 3lme s ASP 149 Ca 0.07 -0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.22 3lme s ASP 149 Cb -0.07 -1.85 -0.01 0.00 1.01 0.00 0.00 42.92 42.00 3lme s ASP 149 CO -0.01 0.07 -0.25 -0.83 0.21 0.00 0.00 175.17 174.36 3lme s GLY 150 N 1.00 1.30 -0.05 0.21 0.00 -1.22 -0.60 107.32 107.97 3lme s GLY 150 Ca 0.02 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 43.74 3lme s GLY 150 CO 0.02 -0.64 -0.19 -1.59 0.00 0.00 0.00 173.10 170.70 3lme s THR 151 N -0.16 1.59 0.23 0.90 2.01 -0.66 -0.73 115.64 118.82 3lme s THR 151 Ca -0.04 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.20 3lme s THR 151 Cb -0.14 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 3lme s THR 151 CO 0.04 0.45 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.03 3lme s PHE 152 N -0.01 1.61 -0.21 4.92 0.40 0.22 -0.68 117.98 124.23 3lme s PHE 152 Ca -0.04 -0.85 -0.04 0.00 -0.60 0.00 0.00 56.93 55.41 3lme s PHE 152 Cb -0.12 -0.91 0.07 0.00 0.51 0.00 0.00 43.02 42.57 3lme s PHE 152 CO 0.03 0.05 0.07 -0.47 0.70 0.00 0.00 175.22 175.60 3lme s TYR 153 N -3.31 0.68 -0.33 0.36 5.04 0.65 -1.13 117.35 119.30 3lme s TYR 153 Ca 0.27 -0.74 -0.01 0.00 -2.44 0.00 0.00 57.07 54.15 3lme s TYR 153 Cb 0.05 -0.94 0.13 0.00 0.35 0.00 0.00 41.96 41.54 3lme s TYR 153 CO 0.08 -0.63 0.19 0.00 -1.34 0.00 0.00 175.55 173.85 3lme s ALA 154 N 1.97 0.82 0.03 3.97 0.00 -0.39 -4.66 121.76 123.51 3lme s ALA 154 Ca 0.02 -1.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 3lme s ALA 154 Cb -0.17 -1.54 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 3lme s ALA 154 CO -0.14 -1.97 1.79 -2.14 0.00 0.00 0.00 175.76 173.30 3lme s PRO 155 N 1.39 4.16 0.00 0.00 0.02 -1.25 -4.68 135.00 134.64 3lme s PRO 155 Ca 0.15 2.42 0.27 0.00 0.02 0.00 0.00 61.00 63.86 3lme s PRO 155 Cb -0.21 -3.92 0.80 0.00 0.02 0.00 0.00 34.50 31.19 3lme s PRO 155 CO -0.11 -0.86 1.61 0.00 -0.33 0.00 0.00 177.00 177.31