#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 2.18 -0.14 1.04 0.05 -1.26 -4.84 118.68 115.71 3lme s LEU 29 Ca 0.00 1.73 -0.02 0.00 0.05 0.00 0.00 54.13 55.90 3lme s LEU 29 Cb 0.00 -4.05 0.04 0.00 -2.05 0.00 0.00 46.19 40.13 3lme s LEU 29 CO 0.00 -3.08 0.01 -0.75 -0.55 0.00 0.00 176.35 171.98 3lme s LYS 30 N -4.74 0.76 0.02 1.48 2.36 0.31 -4.98 119.74 114.96 3lme s LYS 30 Ca 0.65 -0.21 -0.30 0.00 -2.55 0.00 0.00 55.97 53.56 3lme s LYS 30 Cb -0.21 -1.61 -0.05 0.00 -1.05 0.00 0.00 37.83 34.91 3lme s LYS 30 CO 0.59 -0.46 1.14 0.42 1.55 0.00 0.00 175.35 178.59 3lme s ILE 31 N 1.87 4.29 -0.37 5.43 -1.09 -1.26 -0.42 121.20 129.65 3lme s ILE 31 Ca 0.02 1.64 -0.28 0.00 -2.23 0.00 0.00 60.65 59.80 3lme s ILE 31 Cb -0.15 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 3lme s ILE 31 CO -0.07 0.10 1.80 -0.63 -1.23 0.00 0.00 174.94 174.92 3lme s ILE 32 N 1.25 3.47 0.36 2.92 1.01 -0.44 -4.94 121.20 124.83 3lme s ILE 32 Ca 0.56 0.46 -0.28 0.00 0.00 0.00 0.00 60.65 61.39 3lme s ILE 32 Cb -0.26 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.40 3lme s ILE 32 CO 0.28 -0.49 1.47 0.00 0.00 0.00 0.00 174.94 176.20 3lme s ALA 33 N 7.21 3.58 0.90 9.38 0.00 -1.26 -4.59 121.76 136.98 3lme s ALA 33 Ca 0.78 1.54 -0.13 0.00 0.00 0.00 0.00 51.96 54.14 3lme s ALA 33 Cb -0.21 -3.60 0.06 0.00 0.00 0.00 0.00 23.12 19.38 3lme s ALA 33 CO 0.32 -1.00 0.68 -2.30 0.00 0.00 0.00 175.76 173.46 3lme n PRO 34 N 0.63 -0.20 -3.60 0.00 -0.02 -1.26 -5.05 135.00 125.50 3lme n PRO 34 Ca 0.01 -0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.35 3lme n PRO 34 Cb 0.39 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 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 -2.36 0.03 0.62 3.45 2.01 -1.26 -5.03 115.64 113.11 3lme s THR 35 Ca 0.62 -0.28 0.28 0.00 0.31 0.00 0.00 61.69 62.63 3lme s THR 35 Cb -0.24 -0.95 0.34 0.00 0.01 0.00 0.00 72.50 71.66 3lme s THR 35 CO 0.62 -0.15 1.87 -2.24 -0.69 0.00 0.00 174.62 174.03 3lme h ASP 36 N 2.91 0.00 -0.14 3.53 2.03 -1.98 0.73 116.42 123.50 3lme h ASP 36 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 3lme h ASP 36 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3lme h ASP 36 CO 0.41 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.91 3lme n LYS 37 N -3.36 2.07 -4.39 4.15 4.01 -1.26 -5.01 118.16 114.37 3lme n LYS 37 Ca 0.04 -1.58 -0.24 0.00 -0.51 0.00 0.00 58.31 56.03 3lme n LYS 37 Cb 0.58 -1.46 -0.11 0.00 -0.51 0.00 0.00 35.03 33.53 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 -1.84 2.13 0.81 -0.18 2.01 0.25 -4.74 115.64 114.09 3lme s THR 38 Ca 0.34 -2.10 -0.11 0.00 0.31 0.00 0.00 61.69 60.14 3lme s THR 38 Cb 0.20 -2.06 0.08 0.00 0.01 0.00 0.00 72.50 70.73 3lme s THR 38 CO 0.30 -0.30 1.09 -0.51 -0.69 0.00 0.00 174.62 174.52 3lme s ILE 39 N -2.12 3.10 -0.29 1.82 -1.16 -1.26 -4.64 121.20 116.65 3lme s ILE 39 Ca 0.21 0.36 0.00 0.00 -0.51 0.00 0.00 60.65 60.71 3lme s ILE 39 Cb -0.06 -2.81 0.06 0.00 0.61 0.00 0.00 42.46 40.25 3lme s ILE 39 CO 0.10 -0.47 -0.04 -0.89 -2.81 0.00 0.00 174.94 170.83 3lme s THR 40 N -2.89 2.65 0.16 4.00 2.01 -1.26 -4.66 115.64 115.64 3lme s THR 40 Ca 0.62 -1.51 -0.34 0.00 0.31 0.00 0.00 61.69 60.77 3lme s THR 40 Cb -0.18 -2.54 -0.14 0.00 0.01 0.00 0.00 72.50 69.65 3lme s THR 40 CO 0.56 -0.09 1.57 -0.81 -0.69 0.00 0.00 174.62 175.16 3lme n PRO 41 N 4.54 2.10 -0.00 4.92 -0.04 -1.26 -4.87 135.00 140.38 3lme n PRO 41 Ca -0.13 0.76 0.01 0.00 -0.04 0.00 0.00 63.50 64.09 3lme n PRO 41 Cb 0.43 -2.52 -0.01 0.00 -0.04 0.00 0.00 33.50 31.35 3lme n PRO 41 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3lme n SER 42 N 3.39 2.07 0.00 3.54 3.41 -1.26 -5.07 113.62 119.70 3lme n SER 42 Ca 0.17 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3lme n SER 42 Cb 0.28 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 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 1.64 5.23 2.91 5.00 0.00 -1.26 -5.00 105.19 113.70 3lme n GLY 43 Ca 0.00 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 4.40 -3.68 2.61 -2.24 -1.26 -4.83 114.28 109.28 3lme n THR 44 Ca 0.00 -4.51 -0.06 0.00 -2.27 0.00 0.00 64.05 57.21 3lme n THR 44 Cb 0.00 -2.35 -0.02 0.00 -2.10 0.00 0.00 70.33 65.87 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 0.25 -0.22 0.29 4.78 1.48 -1.26 -5.18 118.94 119.08 3lme s TRP 45 Ca 0.39 -0.06 0.02 0.00 -1.06 0.00 0.00 56.10 55.40 3lme s TRP 45 Cb 0.09 0.62 -0.05 0.00 -1.16 0.00 0.00 33.47 32.97 3lme s TRP 45 CO 0.01 -0.80 0.12 -1.54 -4.06 0.00 0.00 176.95 170.68 3lme s SER 46 N -2.81 1.51 0.14 -2.66 1.04 -1.26 -4.74 113.70 104.92 3lme s SER 46 Ca 0.10 -1.46 -0.03 0.00 0.48 0.00 0.00 55.95 55.04 3lme s SER 46 Cb -0.02 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 3lme s SER 46 CO -0.01 -0.78 1.34 0.16 0.98 0.00 0.00 173.24 174.92 3lme h ILE 47 N 2.27 1.41 0.00 -1.02 3.07 -1.95 -3.42 117.51 117.87 3lme h ILE 47 Ca -0.37 -2.43 0.00 0.00 1.55 0.00 0.00 64.86 63.62 3lme h ILE 47 Cb 1.25 2.37 0.00 0.00 -0.27 0.00 0.00 36.82 40.17 3lme h ILE 47 CO 0.58 0.72 0.00 0.61 -1.05 0.00 0.00 178.15 179.02 3lme n GLY 48 N 0.87 -0.47 3.05 0.16 0.00 -1.26 0.98 105.19 108.51 3lme n GLY 48 Ca -0.06 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 0.41 -0.22 4.61 0.00 0.40 -1.33 121.76 123.62 3lme s ALA 49 Ca 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 3lme s ALA 49 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3lme s ALA 49 CO 0.00 -0.21 0.08 0.50 0.00 0.00 0.00 175.76 176.14 3lme s ARG 50 N -2.46 3.85 -0.15 0.00 6.06 0.44 -0.75 118.95 125.94 3lme s ARG 50 Ca -0.05 -0.39 -0.01 0.00 -2.50 0.00 0.00 55.73 52.78 3lme s ARG 50 Cb -0.03 -3.32 0.04 0.00 0.06 0.00 0.00 34.95 31.70 3lme s ARG 50 CO -0.04 0.03 -0.02 0.00 -2.50 0.00 0.00 175.30 172.77 3lme s ALA 51 N 1.05 1.21 0.00 6.12 0.00 0.06 -0.53 121.76 129.66 3lme s ALA 51 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3lme s ALA 51 Cb -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.94 3lme s ALA 51 CO 0.03 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3lme n GLY 52 N 4.97 2.17 0.10 0.00 0.00 -1.26 0.11 105.19 111.29 3lme n GLY 52 Ca -0.10 0.31 0.15 0.00 0.00 0.00 0.00 46.02 46.38 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 2.15 0.33 -4.76 1.61 8.00 -1.26 -4.91 116.55 117.70 3lme n ASP 53 Ca 0.00 -1.01 -0.22 0.00 0.71 0.00 0.00 54.79 54.26 3lme n ASP 53 Cb 0.00 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.02 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 -2.07 2.87 -0.04 1.24 0.08 0.30 -0.90 117.98 119.46 3lme s PHE 54 Ca 0.43 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.23 3lme s PHE 54 Cb 0.22 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 41.22 3lme s PHE 54 CO 0.38 0.44 0.04 0.08 -0.10 0.00 0.00 175.22 176.06 3lme s VAL 55 N -2.29 -0.00 -0.28 -0.44 1.01 -0.01 -0.76 120.40 117.63 3lme s VAL 55 Ca 0.35 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.63 3lme s VAL 55 Cb -0.06 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.17 3lme s VAL 55 CO 0.23 0.17 -0.05 -0.36 0.00 0.00 0.00 175.10 175.09 3lme s PHE 56 N 1.76 3.23 -0.16 5.22 0.08 0.07 -0.00 117.98 128.17 3lme s PHE 56 Ca 0.00 -1.98 -0.13 0.00 0.12 0.00 0.00 56.93 54.94 3lme s PHE 56 Cb -0.12 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 3lme s PHE 56 CO -0.03 -0.82 0.27 0.42 -0.10 0.00 0.00 175.22 174.96 3lme s ILE 57 N 1.21 5.32 0.52 0.64 -1.09 -0.89 -0.45 121.20 126.46 3lme s ILE 57 Ca -0.06 0.49 -0.09 0.00 -2.23 0.00 0.00 60.65 58.77 3lme s ILE 57 Cb -0.19 -3.60 0.13 0.00 -1.58 0.00 0.00 42.46 37.22 3lme s ILE 57 CO -0.03 0.41 0.34 0.61 -1.23 0.00 0.00 174.94 175.03 3lme n GLY 58 N 3.31 -3.54 3.70 6.18 0.00 0.28 -3.68 105.19 111.42 3lme n GLY 58 Ca -0.13 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3lme n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3lme s GLY 59 N -2.58 2.21 -0.07 -0.02 0.00 -1.26 -4.57 107.32 101.02 3lme s GLY 59 Ca 0.25 0.70 0.01 0.00 0.00 0.00 0.00 44.72 45.67 3lme s GLY 59 CO 0.20 2.16 -0.08 1.06 0.00 0.00 0.00 173.10 176.45 3lme s MET 60 N 1.85 2.77 0.32 2.90 1.00 -0.87 -4.94 119.30 122.34 3lme s MET 60 Ca 0.57 -0.57 0.09 0.00 0.00 0.00 0.00 55.69 55.79 3lme s MET 60 Cb -0.26 -2.58 -0.05 0.00 0.00 0.00 0.00 34.83 31.94 3lme s MET 60 CO 0.24 0.63 0.01 -1.01 0.00 0.00 0.00 175.02 174.90 3lme s HIS 61 N -0.73 2.57 -1.30 -0.03 3.76 -1.26 -2.44 115.29 115.87 3lme s HIS 61 Ca 0.11 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.46 3lme s HIS 61 Cb -0.11 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.16 3lme s HIS 61 CO 0.01 0.50 2.03 0.41 -0.85 0.00 0.00 174.74 176.84 3lme n GLY 62 N -0.94 3.40 3.54 -2.22 0.00 -1.25 -4.03 105.19 103.68 3lme n GLY 62 Ca -0.04 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 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 4.31 2.89 -0.15 2.61 -4.23 -1.26 -1.75 115.64 118.05 3lme s THR 63 Ca 0.52 -2.12 -0.26 0.00 -1.18 0.00 0.00 61.69 58.65 3lme s THR 63 Cb 0.10 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 3lme s THR 63 CO 0.00 -0.33 0.86 -0.62 -0.54 0.00 0.00 174.62 173.99 3lme s ASP 64 N -3.42 7.03 0.48 3.99 -1.08 0.16 -4.85 116.67 118.98 3lme s ASP 64 Ca 0.29 1.26 0.14 0.00 -0.52 0.00 0.00 52.55 53.72 3lme s ASP 64 Cb -0.06 -2.47 1.13 0.00 -1.46 0.00 0.00 42.92 40.06 3lme s ASP 64 CO 0.16 -0.39 2.09 0.08 0.52 0.00 0.00 175.17 177.64 3lme h ARG 65 N 7.23 0.21 0.01 4.34 0.11 -1.89 0.30 114.38 124.69 3lme h ARG 65 Ca -0.31 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.76 3lme h ARG 65 Cb 1.14 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.17 3lme h ARG 65 CO 0.83 0.14 -0.01 0.28 0.10 0.00 0.00 179.97 181.31 3lme h VAL 66 N 0.21 1.33 0.00 0.08 2.07 -1.92 -3.39 116.25 114.62 3lme h VAL 66 Ca 0.10 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.69 3lme h VAL 66 Cb 0.14 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3lme h VAL 66 CO -0.02 0.44 -1.11 0.35 0.02 0.00 0.00 177.57 177.25 3lme n THR 67 N -4.68 0.01 -0.46 2.57 -2.24 -1.13 -4.96 114.28 103.40 3lme n THR 67 Ca -0.08 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3lme n THR 67 Cb 0.35 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3lme n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lme n GLY 68 N 1.46 0.94 3.80 3.38 0.00 0.10 -4.99 105.19 109.88 3lme n GLY 68 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.29 3.14 0.29 1.61 1.02 -1.26 -4.68 119.74 119.57 3lme s LYS 69 Ca 0.00 1.23 -0.29 0.00 0.02 0.00 0.00 55.97 56.93 3lme s LYS 69 Cb 0.00 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 35.21 3lme s LYS 69 CO 0.00 -0.96 1.07 -1.64 -0.92 0.00 0.00 175.35 172.91 3lme s MET 70 N -4.17 4.62 0.66 1.68 -1.94 -1.26 0.41 119.30 119.29 3lme s MET 70 Ca 0.64 1.73 -0.15 0.00 -1.71 0.00 0.00 55.69 56.20 3lme s MET 70 Cb -0.17 -3.13 -0.00 0.00 2.01 0.00 0.00 34.83 33.54 3lme s MET 70 CO 0.40 0.22 1.12 0.08 -0.01 0.00 0.00 175.02 176.82 3lme s VAL 71 N -1.22 3.19 0.00 -6.03 1.01 -0.72 -4.84 120.40 111.79 3lme s VAL 71 Ca 0.45 0.56 -0.16 0.00 0.00 0.00 0.00 61.98 62.84 3lme s VAL 71 Cb -0.30 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 3lme s VAL 71 CO 0.38 -0.33 0.44 -1.81 0.00 0.00 0.00 175.10 173.78 3lme s ASP 72 N -2.52 6.84 0.00 3.32 1.01 -1.26 -4.63 116.67 119.42 3lme s ASP 72 Ca 0.68 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.93 3lme s ASP 72 Cb -0.21 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.45 3lme s ASP 72 CO 0.41 0.29 0.00 0.61 0.21 0.00 0.00 175.17 176.69 3lme n GLY 73 N 1.94 -0.68 0.36 0.21 0.00 -1.26 -4.53 105.19 101.23 3lme n GLY 73 Ca -0.13 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.62 3lme n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3lme n ASP 74 N -0.25 -0.84 -0.10 1.61 10.43 -1.26 -1.50 116.55 124.65 3lme n ASP 74 Ca 0.00 1.57 -0.12 0.00 2.57 0.00 0.00 54.79 58.81 3lme n ASP 74 Cb 0.00 -0.25 -0.04 0.00 1.84 0.00 0.00 41.12 42.67 3lme n ASP 74 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 3lme h GLU 75 N 0.00 0.56 -0.79 -1.24 4.81 -1.97 -2.22 114.58 113.73 3lme h GLU 75 Ca 0.19 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3lme h GLU 75 Cb 0.41 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3lme h GLU 75 CO -0.85 0.78 0.30 0.00 -0.73 0.00 0.00 179.01 178.51 3lme h ALA 76 N 0.77 1.04 -0.47 2.92 0.00 -1.75 -1.40 119.26 120.36 3lme h ALA 76 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3lme h ALA 76 Cb 0.59 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3lme h ALA 76 CO 0.03 0.67 0.29 -0.09 0.00 0.00 0.00 179.25 180.15 3lme h ARG 77 N 1.15 0.64 -0.13 0.00 2.43 -1.13 0.16 114.38 117.51 3lme h ARG 77 Ca 0.26 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.25 3lme h ARG 77 Cb 0.23 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3lme h ARG 77 CO -0.02 0.46 -0.48 0.82 -1.51 0.00 0.00 179.97 179.24 3lme h ILE 78 N 0.63 1.33 -0.54 1.20 2.04 -1.19 -2.02 117.51 118.97 3lme h ILE 78 Ca 0.17 -1.69 -0.09 0.00 1.00 0.00 0.00 64.86 64.26 3lme h ILE 78 Cb -0.02 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3lme h ILE 78 CO -0.03 0.51 -0.01 -0.09 0.00 0.00 0.00 178.15 178.53 3lme h ARG 79 N 0.27 0.95 -0.39 2.37 9.65 -0.78 -2.55 114.38 123.89 3lme h ARG 79 Ca 0.01 -0.31 -0.00 0.00 -1.10 0.00 0.00 59.98 58.59 3lme h ARG 79 Cb 0.94 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.42 3lme h ARG 79 CO 0.08 0.97 0.24 -0.09 2.80 0.00 0.00 179.97 183.96 3lme h ARG 80 N 0.83 0.53 -0.53 0.20 9.65 -0.47 -1.10 114.38 123.48 3lme h ARG 80 Ca 0.15 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.07 3lme h ARG 80 Cb 0.54 -0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 28.91 3lme h ARG 80 CO 0.03 0.40 -0.44 1.98 2.80 0.00 0.00 179.97 184.73 3lme h MET 81 N 0.52 -0.25 -0.68 0.20 4.05 -1.25 0.43 114.93 117.95 3lme h MET 81 Ca 0.14 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 3lme h MET 81 Cb -0.00 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 3lme h MET 81 CO -0.03 -0.17 0.37 0.74 0.23 0.00 0.00 176.91 178.06 3lme h PHE 82 N -0.26 0.91 -0.16 1.39 0.04 -1.14 -0.48 116.94 117.24 3lme h PHE 82 Ca 0.16 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.87 3lme h PHE 82 Cb 0.57 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 3lme h PHE 82 CO -0.69 0.63 -0.09 -0.44 -0.60 0.00 0.00 178.31 177.12 3lme h ASP 83 N 0.94 0.35 -0.21 2.17 3.32 0.10 0.12 116.42 123.21 3lme h ASP 83 Ca 0.24 -0.43 0.05 0.00 0.02 0.00 0.00 57.03 56.91 3lme h ASP 83 Cb 0.02 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 3lme h ASP 83 CO -0.04 0.70 -0.08 0.78 -1.72 0.00 0.00 179.24 178.88 3lme h ASN 84 N 0.00 -0.28 -0.35 6.45 -0.26 -0.05 0.29 115.58 121.39 3lme h ASN 84 Ca 0.03 0.08 0.06 0.00 -0.56 0.00 0.00 56.30 55.91 3lme h ASN 84 Cb 0.58 0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 37.95 3lme h ASN 84 CO 0.03 -0.11 0.02 -0.03 -1.06 0.00 0.00 177.43 176.28 3lme h MET 85 N -0.04 0.12 -0.14 0.81 4.05 -0.89 -1.44 114.93 117.40 3lme h MET 85 Ca 0.11 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.40 3lme h MET 85 Cb 0.21 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 3lme h MET 85 CO -0.25 0.08 -0.44 -0.07 0.23 0.00 0.00 176.91 176.47 3lme h LEU 86 N 0.13 0.37 0.07 3.39 3.38 -0.39 -1.06 115.31 121.20 3lme h LEU 86 Ca 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lme h LEU 86 Cb 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3lme h LEU 86 CO -0.27 0.76 -0.03 0.00 0.09 0.00 0.00 178.44 178.99 3lme h ALA 87 N 1.25 -0.10 -0.75 1.53 0.00 -0.16 0.40 119.26 121.43 3lme h ALA 87 Ca 0.02 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3lme h ALA 87 Cb 0.89 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 3lme h ALA 87 CO 0.07 -0.49 0.45 0.00 0.00 0.00 0.00 179.25 179.28 3lme h ALA 88 N 0.69 1.02 -0.62 0.00 0.00 -1.05 -1.39 119.26 117.90 3lme h ALA 88 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3lme h ALA 88 Cb 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3lme h ALA 88 CO 0.02 0.16 0.23 0.00 0.00 0.00 0.00 179.25 179.65 3lme h ALA 89 N 1.37 0.81 -0.45 0.00 0.00 -0.84 -2.77 119.26 117.38 3lme h ALA 89 Ca 0.33 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3lme h ALA 89 Cb 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3lme h ALA 89 CO -0.17 0.45 0.05 1.49 0.00 0.00 0.00 179.25 181.07 3lme h GLU 90 N 0.88 0.71 -0.00 0.00 4.22 0.45 -0.63 114.58 120.22 3lme h GLU 90 Ca 0.20 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.49 3lme h GLU 90 Cb 0.24 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3lme h GLU 90 CO -0.01 0.69 0.00 0.00 -2.18 0.00 0.00 179.01 177.51 3lme h ALA 91 N 1.38 1.21 -0.54 2.92 0.00 -0.98 0.90 119.26 124.14 3lme h ALA 91 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3lme h ALA 91 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3lme h ALA 91 CO 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3lme n ALA 92 N -2.17 2.45 -1.31 0.00 0.00 -0.35 -4.95 120.51 114.16 3lme n ALA 92 Ca -0.03 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.06 3lme n ALA 92 Cb 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.99 0.77 3.21 0.00 0.00 0.31 -5.06 105.19 105.41 3lme n GLY 93 Ca 0.20 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 2.02 0.46 4.61 0.00 -0.55 -4.90 121.76 121.40 3lme s ALA 94 Ca 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.12 3lme s ALA 94 Cb 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.42 3lme s ALA 94 CO 0.00 0.31 0.53 0.95 0.00 0.00 0.00 175.76 177.55 3lme s THR 95 N 0.19 2.62 0.53 0.00 -4.23 -1.26 -2.75 115.64 110.74 3lme s THR 95 Ca -0.12 -1.15 0.22 0.00 -1.18 0.00 0.00 61.69 59.45 3lme s THR 95 Cb -0.16 -2.78 0.34 0.00 1.34 0.00 0.00 72.50 71.25 3lme s THR 95 CO 0.06 0.00 2.07 0.07 -0.54 0.00 0.00 174.62 176.28 3lme h LYS 96 N 0.69 0.00 0.00 3.99 2.10 -1.99 -1.65 116.57 119.71 3lme h LYS 96 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 3lme h LYS 96 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3lme h LYS 96 CO 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.94 3lme h ALA 97 N 1.85 1.00 -0.28 0.07 0.00 -1.95 -2.91 119.26 117.04 3lme h ALA 97 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3lme h ALA 97 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3lme h ALA 97 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3lme n ASP 98 N -2.48 3.27 -4.64 0.00 8.00 -0.62 -4.95 116.55 115.13 3lme n ASP 98 Ca -0.00 -1.97 -0.43 0.00 0.71 0.00 0.00 54.79 53.10 3lme n ASP 98 Cb 0.15 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.58 3.42 -0.48 2.24 0.00 -1.10 -0.40 121.76 123.85 3lme s ALA 99 Ca 0.34 0.47 0.23 0.00 0.00 0.00 0.00 51.96 53.00 3lme s ALA 99 Cb 0.21 -3.78 0.04 0.00 0.00 0.00 0.00 23.12 19.60 3lme s ALA 99 CO 0.30 -1.69 1.02 1.33 0.00 0.00 0.00 175.76 176.73 3lme n VAL 100 N 6.03 0.28 -3.64 0.00 0.24 0.24 -4.60 118.33 116.88 3lme n VAL 100 Ca 0.17 -0.34 -0.09 0.00 -2.04 0.00 0.00 64.34 62.04 3lme n VAL 100 Cb 0.45 0.02 -0.07 0.00 -1.47 0.00 0.00 33.84 32.77 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 -3.26 0.53 -0.04 7.34 3.52 -1.17 -4.49 118.95 121.38 3lme s ARG 101 Ca 0.02 0.65 0.02 0.00 -0.13 0.00 0.00 55.73 56.29 3lme s ARG 101 Cb 0.13 0.25 0.01 0.00 -1.56 0.00 0.00 34.95 33.78 3lme s ARG 101 CO 0.80 -0.07 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.64 3lme s LEU 102 N 0.35 1.61 -0.22 -0.88 1.43 -0.78 -1.47 118.68 118.71 3lme s LEU 102 Ca 0.02 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3lme s LEU 102 Cb -0.05 -0.53 0.05 0.00 0.03 0.00 0.00 46.19 45.69 3lme s LEU 102 CO -0.06 0.02 -0.11 -0.89 0.23 0.00 0.00 176.35 175.54 3lme s THR 103 N 0.51 1.81 -0.25 5.49 2.01 -0.22 -1.88 115.64 123.10 3lme s THR 103 Ca -0.08 -1.21 -0.08 0.00 0.31 0.00 0.00 61.69 60.63 3lme s THR 103 Cb -0.11 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 3lme s THR 103 CO 0.01 0.11 0.10 -0.69 -0.69 0.00 0.00 174.62 173.46 3lme s VAL 104 N 1.30 4.59 -0.18 3.82 1.01 -0.26 -0.96 120.40 129.72 3lme s VAL 104 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 3lme s VAL 104 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3lme s VAL 104 CO -0.07 0.33 0.07 -0.36 0.00 0.00 0.00 175.10 175.06 3lme s PHE 105 N 1.57 3.29 0.17 5.22 0.08 0.19 -1.02 117.98 127.47 3lme s PHE 105 Ca 0.06 0.13 0.05 0.00 0.12 0.00 0.00 56.93 57.30 3lme s PHE 105 Cb -0.15 -2.08 -0.05 0.00 -0.57 0.00 0.00 43.02 40.17 3lme s PHE 105 CO 0.05 0.20 -0.10 0.14 -0.10 0.00 0.00 175.22 175.42 3lme s VAL 106 N 0.29 1.26 0.21 -0.44 -7.23 0.44 -0.42 120.40 114.51 3lme s VAL 106 Ca 0.04 -2.09 0.21 0.00 -1.81 0.00 0.00 61.98 58.34 3lme s VAL 106 Cb -0.12 -1.94 0.19 0.00 0.56 0.00 0.00 36.38 35.07 3lme s VAL 106 CO -0.00 -0.67 1.82 0.74 -0.31 0.00 0.00 175.10 176.68 3lme h THR 107 N 2.70 0.75 -1.23 5.32 2.02 -0.75 0.02 112.91 121.74 3lme h THR 107 Ca -0.37 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 65.56 3lme h THR 107 Cb 1.20 1.77 -0.23 0.00 -1.74 0.00 0.00 68.15 69.15 3lme h THR 107 CO 0.63 0.28 -0.41 -0.62 0.37 0.00 0.00 175.52 175.77 3lme s ASP 108 N -6.34 -0.98 0.17 4.18 -1.08 -1.26 -4.63 116.67 106.72 3lme s ASP 108 Ca -0.00 0.15 -0.02 0.00 -0.52 0.00 0.00 52.55 52.15 3lme s ASP 108 Cb 0.11 1.77 0.02 0.00 -1.46 0.00 0.00 42.92 43.36 3lme s ASP 108 CO 0.66 -0.31 1.41 1.62 0.52 0.00 0.00 175.17 179.07 3lme h VAL 109 N 6.05 1.38 -0.70 1.11 3.04 -1.90 -0.78 116.25 124.45 3lme h VAL 109 Ca -0.07 -2.18 -0.02 0.00 -1.01 0.00 0.00 66.70 63.42 3lme h VAL 109 Cb 1.17 2.15 -0.03 0.00 -2.01 0.00 0.00 31.29 32.56 3lme h VAL 109 CO 0.20 0.66 0.35 0.00 -1.01 0.00 0.00 177.57 177.77 3lme h ALA 110 N 0.89 1.31 0.22 3.17 0.00 -2.01 -1.97 119.26 120.86 3lme h ALA 110 Ca -0.04 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.40 3lme h ALA 110 Cb 1.35 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 18.88 3lme h ALA 110 CO 0.13 0.55 -1.62 -0.22 0.00 0.00 0.00 179.25 178.09 3lme h LYS 111 N 0.98 0.46 0.00 0.00 3.64 -1.96 -3.40 116.57 116.28 3lme h LYS 111 Ca 0.24 -0.78 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3lme h LYS 111 Cb 0.07 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3lme h LYS 111 CO -0.03 1.37 -1.68 0.66 -2.27 0.00 0.00 179.45 177.50 3lme n TYR 112 N -3.67 0.00 -0.08 1.91 4.01 -0.32 -4.32 117.16 114.69 3lme n TYR 112 Ca -0.21 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.46 3lme n TYR 112 Cb 1.08 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 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 0.18 0.00 -0.72 2.43 -1.55 0.19 114.38 114.92 3lme h ARG 113 Ca 0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3lme h ARG 113 Cb 0.82 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3lme h ARG 113 CO 0.00 0.12 -0.10 -1.35 -1.51 0.00 0.00 179.97 177.13 3lme h PRO 114 N 0.19 0.00 -0.14 0.20 0.11 -1.80 0.46 132.00 131.01 3lme h PRO 114 Ca 0.14 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 3lme h PRO 114 Cb 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 3lme h PRO 114 CO -0.18 0.10 -0.20 0.28 -0.21 0.00 0.00 178.00 177.79 3lme h VAL 115 N 0.00 1.36 -0.56 3.15 2.07 -1.49 -1.24 116.25 119.54 3lme h VAL 115 Ca -0.00 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.14 3lme h VAL 115 Cb 0.28 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3lme h VAL 115 CO 0.01 0.42 0.29 0.58 0.02 0.00 0.00 177.57 178.89 3lme h VAL 116 N -0.01 0.95 -0.32 2.57 2.07 -0.45 -0.58 116.25 120.48 3lme h VAL 116 Ca 0.01 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3lme h VAL 116 Cb 0.77 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 3lme h VAL 116 CO 0.05 0.10 -0.08 0.78 0.02 0.00 0.00 177.57 178.43 3lme h ASN 117 N 0.55 -0.31 0.64 0.57 2.35 -0.76 -1.68 115.58 116.93 3lme h ASN 117 Ca 0.25 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 56.07 3lme h ASN 117 Cb 0.17 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3lme h ASN 117 CO -0.18 -0.11 -0.43 0.50 -1.65 0.00 0.00 177.43 175.56 3lme h LYS 118 N -0.01 -0.99 -0.88 0.81 3.64 -0.76 -2.47 116.57 115.92 3lme h LYS 118 Ca 0.15 0.07 0.18 0.00 -1.27 0.00 0.00 60.65 59.78 3lme h LYS 118 Cb 0.24 0.22 -0.11 0.00 -0.41 0.00 0.00 32.23 32.17 3lme h LYS 118 CO -0.33 -0.66 0.43 0.28 -2.27 0.00 0.00 179.45 176.90 3lme h VAL 119 N -1.02 0.61 -0.13 2.00 2.07 -0.83 0.11 116.25 119.06 3lme h VAL 119 Ca -0.08 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3lme h VAL 119 Cb 0.84 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3lme h VAL 119 CO 0.06 0.10 -0.24 1.56 0.02 0.00 0.00 177.57 179.06 3lme h GLN 120 N 0.53 0.23 -0.42 1.57 4.20 -1.09 -2.49 115.11 117.64 3lme h GLN 120 Ca 0.52 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.15 3lme h GLN 120 Cb 0.86 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 3lme h GLN 120 CO -0.44 0.46 0.27 0.87 -0.67 0.00 0.00 178.83 179.32 3lme h LYS 121 N 0.21 0.56 -0.38 1.46 1.57 -0.32 0.87 116.57 120.54 3lme h LYS 121 Ca 0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3lme h LYS 121 Cb 0.55 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3lme h LYS 121 CO 0.04 0.39 0.10 -0.44 -0.57 0.00 0.00 179.45 178.97 3lme h ASP 122 N 0.56 0.50 0.00 0.86 5.19 -1.02 -0.68 116.42 121.84 3lme h ASP 122 Ca 0.15 -0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.41 3lme h ASP 122 Cb -0.03 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 3lme h ASP 122 CO -0.03 0.50 -0.75 0.40 -3.12 0.00 0.00 179.24 176.24 3lme h ILE 123 N 0.54 0.34 0.00 0.35 2.04 -1.08 -3.38 117.51 116.32 3lme h ILE 123 Ca 0.13 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.56 3lme h ILE 123 Cb 0.19 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3lme h ILE 123 CO -0.01 0.12 -0.23 0.79 0.00 0.00 0.00 178.15 178.82 3lme n TRP 124 N -4.56 0.46 0.00 1.37 8.01 0.27 -5.00 117.44 117.98 3lme n TRP 124 Ca -0.16 0.13 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3lme n TRP 124 Cb 0.40 -0.66 0.00 0.00 -2.01 0.00 0.00 31.31 29.05 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 1.39 2.06 2.61 6.99 0.00 -0.26 -1.87 105.19 116.12 3lme n GLY 125 Ca 0.05 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 9.66 6.08 0.00 1.61 5.68 -1.26 -4.64 116.55 133.68 3lme n ASP 126 Ca 0.00 -3.78 0.00 0.00 -0.50 0.00 0.00 54.79 50.51 3lme n ASP 126 Cb 0.00 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.25 3lme n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lme n GLY 127 N -0.55 0.28 3.63 6.12 0.00 -0.78 -4.88 105.19 109.01 3lme n GLY 127 Ca 0.47 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 3lme n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3lme n PRO 128 N 0.00 1.18 -3.26 1.61 -0.04 -1.26 -5.05 135.00 128.18 3lme n PRO 128 Ca 0.00 0.44 -0.23 0.00 -0.04 0.00 0.00 63.50 63.67 3lme n PRO 128 Cb 0.00 -2.17 -0.00 0.00 -0.04 0.00 0.00 33.50 31.29 3lme n PRO 128 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3lme s TYR 129 N -1.40 3.37 0.33 0.54 2.02 -1.26 -5.01 117.35 115.93 3lme s TYR 129 Ca 0.70 0.25 -0.10 0.00 -0.37 0.00 0.00 57.07 57.55 3lme s TYR 129 Cb -0.47 -2.04 -0.07 0.00 -0.40 0.00 0.00 41.96 38.98 3lme s TYR 129 CO 0.52 -0.05 0.68 -1.25 -1.57 0.00 0.00 175.55 173.87 3lme s PRO 130 N -4.38 3.79 -0.15 -1.71 0.04 -1.26 -5.01 135.00 126.32 3lme s PRO 130 Ca 0.43 0.37 -0.32 0.00 0.04 0.00 0.00 61.00 61.52 3lme s PRO 130 Cb -0.10 -2.50 -0.10 0.00 0.04 0.00 0.00 34.50 31.85 3lme s PRO 130 CO 0.36 0.12 2.04 -2.30 0.04 0.00 0.00 177.00 177.26 3lme n PRO 131 N -0.83 2.03 -3.79 0.56 -0.02 -1.26 -4.90 135.00 126.79 3lme n PRO 131 Ca 0.01 0.68 -0.23 0.00 -2.02 0.00 0.00 63.50 61.94 3lme n PRO 131 Cb 0.53 -2.82 -0.03 0.00 -0.02 0.00 0.00 33.50 31.16 3lme n PRO 131 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3lme n ARG 132 N 7.61 0.99 -3.64 -0.52 -4.01 -1.26 -1.86 116.66 113.97 3lme n ARG 132 Ca 0.27 -2.77 -0.07 0.00 -1.04 0.00 0.00 57.85 54.25 3lme n ARG 132 Cb 0.34 0.59 -0.07 0.00 -3.04 0.00 0.00 32.46 30.28 3lme n ARG 132 CO 0.00 0.00 0.00 -0.08 -3.04 0.00 0.00 177.63 174.51 3lme s THR 133 N -2.29 0.00 -0.07 8.89 -1.32 -0.79 -4.89 115.64 115.16 3lme s THR 133 Ca 0.08 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 3lme s THR 133 Cb -0.01 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 3lme s THR 133 CO 0.05 0.00 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.71 3lme s VAL 134 N 1.48 0.79 0.05 5.08 1.01 -1.26 -1.10 120.40 126.45 3lme s VAL 134 Ca -0.09 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3lme s VAL 134 Cb -0.05 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3lme s VAL 134 CO -0.17 0.30 -0.08 -0.76 0.00 0.00 0.00 175.10 174.39 3lme s LEU 135 N 1.28 2.29 0.11 3.92 1.02 -0.19 -4.99 118.68 122.12 3lme s LEU 135 Ca -0.04 -0.62 -0.08 0.00 0.02 0.00 0.00 54.13 53.41 3lme s LEU 135 Cb -0.14 -0.18 -0.06 0.00 0.02 0.00 0.00 46.19 45.83 3lme s LEU 135 CO -0.02 -0.23 0.41 -1.58 0.02 0.00 0.00 176.35 174.95 3lme s GLN 136 N -1.89 3.73 -0.05 1.70 0.74 -1.26 -0.42 119.66 122.21 3lme s GLN 136 Ca -0.06 0.12 -0.10 0.00 0.05 0.00 0.00 55.36 55.36 3lme s GLN 136 Cb -0.08 -2.93 0.02 0.00 1.10 0.00 0.00 33.01 31.12 3lme s GLN 136 CO -0.00 0.51 0.24 0.54 -0.55 0.00 0.00 175.29 176.03 3lme s VAL 137 N -1.50 0.04 0.27 1.34 0.11 -0.01 -4.88 120.40 115.78 3lme s VAL 137 Ca 0.36 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 3lme s VAL 137 Cb -0.13 -0.45 0.08 0.00 -1.53 0.00 0.00 36.38 34.35 3lme s VAL 137 CO 0.20 -0.17 1.73 -0.65 -3.33 0.00 0.00 175.10 172.88 3lme h PRO 138 N 4.84 0.56 -2.78 1.54 0.11 -1.88 -3.37 132.00 131.02 3lme h PRO 138 Ca -0.28 -0.19 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3lme h PRO 138 Cb 1.19 -0.04 -0.16 0.00 0.11 0.00 0.00 31.00 32.10 3lme h PRO 138 CO 0.38 0.72 0.04 0.00 -0.21 0.00 0.00 178.00 178.93 3lme s ALA 139 N -4.62 -1.33 0.18 -0.75 0.00 -1.26 -4.93 121.76 109.05 3lme s ALA 139 Ca -0.08 0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.53 3lme s ALA 139 Cb 0.14 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 3lme s ALA 139 CO 0.80 -0.51 -0.10 -0.51 0.00 0.00 0.00 175.76 175.43 3lme s LEU 140 N -2.00 2.50 0.81 0.00 1.43 -1.26 -5.06 118.68 115.11 3lme s LEU 140 Ca -0.05 -1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 51.86 3lme s LEU 140 Cb -0.01 -0.46 0.03 0.00 0.03 0.00 0.00 46.19 45.78 3lme s LEU 140 CO -0.02 -0.30 0.81 -0.67 0.23 0.00 0.00 176.35 176.40 3lme n ASP 141 N -0.30 -0.38 0.00 2.29 2.03 -1.26 -1.92 116.55 117.00 3lme n ASP 141 Ca -0.09 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.75 3lme n ASP 141 Cb 0.61 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 3lme n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3lme n GLN 142 N -2.11 -0.96 -2.43 -0.67 6.02 -1.26 -1.64 117.38 114.33 3lme n GLN 142 Ca 0.11 0.24 -0.13 0.00 -0.01 0.00 0.00 57.00 57.21 3lme n GLN 142 Cb 0.51 -4.57 0.01 0.00 1.02 0.00 0.00 30.24 27.20 3lme n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3lme n GLY 143 N -0.61 -0.10 3.61 1.08 0.00 -0.81 -5.04 105.19 103.32 3lme n GLY 143 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.60 1.88 -0.02 1.61 -1.08 -0.65 -4.90 116.67 110.91 3lme s ASP 144 Ca 0.07 1.17 0.13 0.00 -0.52 0.00 0.00 52.55 53.40 3lme s ASP 144 Cb -0.03 -1.82 -0.20 0.00 -1.46 0.00 0.00 42.92 39.41 3lme s ASP 144 CO 0.09 -3.59 0.28 2.30 0.52 0.00 0.00 175.17 174.77 3lme n ILE 145 N -4.48 0.01 -3.86 4.11 -5.35 -1.26 -4.31 119.36 104.23 3lme n ILE 145 Ca 0.05 -0.30 -0.12 0.00 -0.27 0.00 0.00 62.75 62.12 3lme n ILE 145 Cb 0.57 0.19 -0.12 0.00 -1.74 0.00 0.00 39.64 38.55 3lme n ILE 145 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3lme s ALA 146 N -2.89 -0.28 0.02 -1.28 0.00 -1.26 -0.20 121.76 115.88 3lme s ALA 146 Ca -0.05 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 3lme s ALA 146 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3lme s ALA 146 CO 0.54 -0.12 0.00 -2.00 0.00 0.00 0.00 175.76 174.18 3lme s GLU 147 N -0.57 0.39 -0.01 0.00 2.12 0.44 -4.52 118.70 116.56 3lme s GLU 147 Ca -0.07 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.59 3lme s GLU 147 Cb -0.04 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.50 3lme s GLU 147 CO 0.01 -0.07 0.01 -1.50 -0.54 0.00 0.00 175.26 173.16 3lme s ILE 148 N -1.87 -0.01 -0.18 -3.70 2.07 -1.02 0.53 121.20 117.02 3lme s ILE 148 Ca -0.12 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.14 3lme s ILE 148 Cb -0.07 -0.03 -0.02 0.00 0.13 0.00 0.00 42.46 42.47 3lme s ILE 148 CO -0.02 0.03 -0.04 -1.81 -1.91 0.00 0.00 174.94 171.18 3lme s ASP 149 N 0.28 4.58 0.11 4.50 1.01 -0.14 -2.05 116.67 124.97 3lme s ASP 149 Ca -0.02 -0.23 0.06 0.00 0.71 0.00 0.00 52.55 53.07 3lme s ASP 149 Cb -0.03 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.10 3lme s ASP 149 CO -0.01 0.10 -0.06 -0.83 0.21 0.00 0.00 175.17 174.59 3lme s GLY 150 N 0.75 1.83 -0.01 0.21 0.00 -1.24 -1.06 107.32 107.80 3lme s GLY 150 Ca -0.02 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.49 3lme s GLY 150 CO 0.02 -1.21 -0.03 -1.59 0.00 0.00 0.00 173.10 170.29 3lme s THR 151 N -1.31 0.26 0.06 0.90 2.01 -0.55 -2.09 115.64 114.92 3lme s THR 151 Ca 0.24 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.17 3lme s THR 151 Cb -0.11 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 3lme s THR 151 CO 0.16 0.09 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.73 3lme s PHE 152 N 0.16 0.87 -0.21 4.92 0.40 0.99 -0.59 117.98 124.52 3lme s PHE 152 Ca -0.01 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.76 3lme s PHE 152 Cb -0.04 -0.50 0.04 0.00 0.51 0.00 0.00 43.02 43.03 3lme s PHE 152 CO -0.00 -0.05 -0.12 -0.47 0.70 0.00 0.00 175.22 175.28 3lme s TYR 153 N -1.81 2.69 -0.42 0.36 5.04 0.46 -0.83 117.35 122.84 3lme s TYR 153 Ca -0.03 -1.79 0.04 0.00 -2.44 0.00 0.00 57.07 52.85 3lme s TYR 153 Cb -0.07 -1.76 0.17 0.00 0.35 0.00 0.00 41.96 40.65 3lme s TYR 153 CO 0.00 -0.79 0.40 0.00 -1.34 0.00 0.00 175.55 173.82 3lme s ALA 154 N 1.30 0.40 0.53 3.97 0.00 -0.08 -4.68 121.76 123.20 3lme s ALA 154 Ca -0.02 -1.77 -0.21 0.00 0.00 0.00 0.00 51.96 49.96 3lme s ALA 154 Cb -0.17 -1.88 -0.06 0.00 0.00 0.00 0.00 23.12 21.02 3lme s ALA 154 CO -0.08 -2.06 1.19 -2.14 0.00 0.00 0.00 175.76 172.66 3lme s PRO 155 N 0.54 3.38 0.00 0.00 0.02 -1.25 -4.76 135.00 132.93 3lme s PRO 155 Ca 0.28 1.79 0.03 0.00 0.02 0.00 0.00 61.00 63.13 3lme s PRO 155 Cb -0.03 -2.15 0.20 0.00 0.02 0.00 0.00 34.50 32.54 3lme s PRO 155 CO -0.12 -0.87 0.68 0.00 -0.33 0.00 0.00 177.00 176.36