#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 3.57 -0.22 -3.43 0.05 -1.26 -4.69 118.68 112.70 3lme s LEU 29 Ca 0.00 1.72 0.02 0.00 0.05 0.00 0.00 54.13 55.92 3lme s LEU 29 Cb 0.00 -4.53 0.04 0.00 -2.05 0.00 0.00 46.19 39.66 3lme s LEU 29 CO 0.00 -0.90 -0.12 -0.75 -0.55 0.00 0.00 176.35 174.02 3lme s LYS 30 N -4.01 2.29 0.50 1.48 2.20 0.11 -4.99 119.74 117.32 3lme s LYS 30 Ca 0.62 -1.03 -0.23 0.00 -0.36 0.00 0.00 55.97 54.97 3lme s LYS 30 Cb -0.14 -2.63 -0.07 0.00 -1.51 0.00 0.00 37.83 33.49 3lme s LYS 30 CO 0.33 -0.44 1.32 -0.89 -0.36 0.00 0.00 175.35 175.31 3lme n ILE 31 N 4.58 3.27 -2.66 5.43 2.08 -1.26 0.19 119.36 130.99 3lme n ILE 31 Ca -0.16 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.23 3lme n ILE 31 Cb 0.46 -1.63 -0.03 0.00 -0.75 0.00 0.00 39.64 37.68 3lme n ILE 31 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3lme s ILE 32 N -1.26 4.13 0.21 1.39 1.01 -0.08 -4.81 121.20 121.78 3lme s ILE 32 Ca 0.67 0.73 -0.32 0.00 0.00 0.00 0.00 60.65 61.73 3lme s ILE 32 Cb -0.45 -4.67 -0.12 0.00 0.01 0.00 0.00 42.46 37.23 3lme s ILE 32 CO 0.53 -1.27 1.71 0.00 0.00 0.00 0.00 174.94 175.91 3lme s ALA 33 N 4.65 3.93 0.93 9.38 0.00 -1.26 -4.63 121.76 134.76 3lme s ALA 33 Ca 0.39 1.59 -0.13 0.00 0.00 0.00 0.00 51.96 53.81 3lme s ALA 33 Cb -0.09 -3.69 0.04 0.00 0.00 0.00 0.00 23.12 19.38 3lme s ALA 33 CO 0.24 -0.93 0.50 -2.30 0.00 0.00 0.00 175.76 173.27 3lme n PRO 34 N 3.86 -0.25 -4.15 0.00 -0.02 -1.26 -5.03 135.00 128.14 3lme n PRO 34 Ca 0.15 -0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 3lme n PRO 34 Cb 0.35 -1.92 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 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 -2.38 0.13 0.60 3.45 2.01 -1.26 -4.97 115.64 113.22 3lme s THR 35 Ca 0.59 -1.91 0.30 0.00 0.31 0.00 0.00 61.69 60.98 3lme s THR 35 Cb -0.22 -2.02 0.36 0.00 0.01 0.00 0.00 72.50 70.63 3lme s THR 35 CO 0.66 -0.49 2.21 -2.24 -0.69 0.00 0.00 174.62 174.07 3lme h ASP 36 N 2.87 0.00 0.14 3.53 2.03 -1.96 -1.28 116.42 121.74 3lme h ASP 36 Ca -0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 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 0.60 0.00 -0.86 0.29 -1.03 0.00 0.00 179.24 178.24 3lme n LYS 37 N -3.78 0.01 -3.48 4.15 5.02 -1.26 -5.01 118.16 113.81 3lme n LYS 37 Ca -0.02 -0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.06 3lme n LYS 37 Cb 0.15 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 3lme n LYS 37 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3lme s THR 38 N -2.99 2.98 0.98 -0.18 2.01 -0.49 -4.80 115.64 113.15 3lme s THR 38 Ca 0.09 -1.25 -0.15 0.00 0.31 0.00 0.00 61.69 60.69 3lme s THR 38 Cb 0.16 -3.06 0.18 0.00 0.01 0.00 0.00 72.50 69.80 3lme s THR 38 CO 0.82 -0.04 1.20 -0.63 -0.69 0.00 0.00 174.62 175.28 3lme s ILE 39 N -2.40 1.92 -0.22 1.82 1.01 -1.26 -4.51 121.20 117.56 3lme s ILE 39 Ca 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.13 3lme s ILE 39 Cb -0.06 -2.82 0.06 0.00 0.01 0.00 0.00 42.46 39.66 3lme s ILE 39 CO 0.29 0.00 -0.02 -0.89 0.00 0.00 0.00 174.94 174.32 3lme s THR 40 N -3.48 1.15 0.16 2.92 2.01 -1.26 -4.43 115.64 112.70 3lme s THR 40 Ca 0.69 -0.95 -0.34 0.00 0.31 0.00 0.00 61.69 61.40 3lme s THR 40 Cb -0.09 -1.49 -0.16 0.00 0.01 0.00 0.00 72.50 70.77 3lme s THR 40 CO 0.53 -0.12 1.24 -2.65 -0.69 0.00 0.00 174.62 172.93 3lme n PRO 41 N 4.82 1.26 -3.39 4.92 -0.02 -1.26 -4.96 135.00 136.36 3lme n PRO 41 Ca -0.11 0.45 -0.27 0.00 -2.02 0.00 0.00 63.50 61.56 3lme n PRO 41 Cb 0.45 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.20 -0.02 0.00 2.55 3.41 -1.26 -5.09 113.62 115.40 3lme n SER 42 Ca 0.16 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 3lme n SER 42 Cb 0.24 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 2.48 0.76 2.20 5.00 0.00 -1.26 -4.95 105.19 109.42 3lme n GLY 43 Ca 0.28 -2.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.19 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 5.56 1.47 -3.84 2.61 -2.24 -1.26 -4.72 114.28 111.86 3lme n THR 44 Ca 0.00 -0.71 -0.07 0.00 -2.27 0.00 0.00 64.05 61.00 3lme n THR 44 Cb 0.00 -1.71 -0.01 0.00 -2.10 0.00 0.00 70.33 66.51 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 1.90 -0.11 0.29 4.78 1.48 -1.26 -5.19 118.94 120.84 3lme s TRP 45 Ca 0.31 -0.39 0.06 0.00 -1.06 0.00 0.00 56.10 55.01 3lme s TRP 45 Cb 0.15 0.74 -0.06 0.00 -1.16 0.00 0.00 33.47 33.14 3lme s TRP 45 CO 0.00 -1.29 -0.03 0.45 -4.06 0.00 0.00 176.95 172.02 3lme s SER 46 N -2.96 2.70 0.07 -2.66 0.15 -1.26 -4.74 113.70 105.00 3lme s SER 46 Ca 0.12 -1.24 0.02 0.00 0.70 0.00 0.00 55.95 55.55 3lme s SER 46 Cb -0.05 -0.16 -0.25 0.00 -1.71 0.00 0.00 66.02 63.85 3lme s SER 46 CO 0.08 -0.41 1.11 0.16 1.20 0.00 0.00 173.24 175.38 3lme h ILE 47 N 2.23 1.48 0.00 6.45 3.07 -1.96 -3.43 117.51 125.35 3lme h ILE 47 Ca -0.40 -3.14 0.00 0.00 1.55 0.00 0.00 64.86 62.86 3lme h ILE 47 Cb 1.24 2.83 0.00 0.00 -0.27 0.00 0.00 36.82 40.62 3lme h ILE 47 CO 0.68 0.88 0.00 0.61 -1.05 0.00 0.00 178.15 179.28 3lme n GLY 48 N 1.48 -0.73 3.02 0.16 0.00 -1.26 -1.41 105.19 106.46 3lme n GLY 48 Ca -0.07 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.32 -0.19 4.61 0.00 -0.02 -0.91 121.76 122.93 3lme s ALA 49 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.07 3lme s ALA 49 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 3lme s ALA 49 CO 0.00 -0.08 0.49 0.50 0.00 0.00 0.00 175.76 176.67 3lme s ARG 50 N -0.15 4.20 -0.20 0.00 3.52 0.13 -0.88 118.95 125.57 3lme s ARG 50 Ca -0.02 0.37 -0.00 0.00 -0.13 0.00 0.00 55.73 55.95 3lme s ARG 50 Cb -0.02 -3.55 0.05 0.00 -1.56 0.00 0.00 34.95 29.87 3lme s ARG 50 CO 0.00 -0.11 -0.06 0.00 -0.81 0.00 0.00 175.30 174.33 3lme s ALA 51 N 1.50 1.70 0.00 6.12 0.00 0.10 0.10 121.76 131.27 3lme s ALA 51 Ca 0.23 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3lme s ALA 51 Cb -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.72 3lme s ALA 51 CO 0.09 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.32 3lme n GLY 52 N 4.79 2.62 1.09 0.00 0.00 -1.26 0.09 105.19 112.51 3lme n GLY 52 Ca -0.12 0.32 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 4.43 3.17 -4.62 1.61 9.92 -1.26 -4.92 116.55 124.88 3lme n ASP 53 Ca 0.00 -1.98 -0.28 0.00 -0.53 0.00 0.00 54.79 51.99 3lme n ASP 53 Cb 0.00 -0.36 -0.09 0.00 -0.64 0.00 0.00 41.12 40.03 3lme n ASP 53 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3lme s PHE 54 N -1.27 2.80 -0.08 1.24 0.08 0.11 -0.94 117.98 119.92 3lme s PHE 54 Ca 0.40 -0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.34 3lme s PHE 54 Cb 0.21 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 3lme s PHE 54 CO 0.28 0.47 -0.18 0.08 -0.10 0.00 0.00 175.22 175.77 3lme s VAL 55 N -1.44 1.57 -0.21 -0.44 1.01 -0.26 -0.72 120.40 119.91 3lme s VAL 55 Ca 0.24 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3lme s VAL 55 Cb -0.10 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.92 3lme s VAL 55 CO 0.16 0.45 -0.16 -0.36 0.00 0.00 0.00 175.10 175.19 3lme s PHE 56 N 0.45 2.92 -0.24 5.22 0.08 -0.06 0.45 117.98 126.81 3lme s PHE 56 Ca -0.15 -1.76 -0.08 0.00 0.12 0.00 0.00 56.93 55.06 3lme s PHE 56 Cb -0.16 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3lme s PHE 56 CO 0.06 -0.81 0.09 0.42 -0.10 0.00 0.00 175.22 174.88 3lme s ILE 57 N 1.26 4.64 1.34 0.64 -1.09 -0.69 -0.84 121.20 126.46 3lme s ILE 57 Ca 0.02 -0.07 -0.21 0.00 -2.23 0.00 0.00 60.65 58.16 3lme s ILE 57 Cb -0.15 -3.16 0.34 0.00 -1.58 0.00 0.00 42.46 37.91 3lme s ILE 57 CO -0.10 0.36 0.98 -0.83 -1.23 0.00 0.00 174.94 174.12 3lme s GLY 58 N 1.28 1.47 0.05 6.18 0.00 -0.50 -3.12 107.32 112.68 3lme s GLY 58 Ca 0.05 -0.78 -0.33 0.00 0.00 0.00 0.00 44.72 43.66 3lme s GLY 58 CO 0.04 0.17 1.77 0.61 0.00 0.00 0.00 173.10 175.69 3lme n GLY 59 N 0.74 1.40 3.67 0.20 0.00 -1.26 -4.67 105.19 105.27 3lme n GLY 59 Ca 0.12 0.76 -0.32 0.00 0.00 0.00 0.00 46.02 46.58 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 2.69 2.67 0.39 1.61 -1.94 0.15 -4.92 119.30 119.95 3lme s MET 60 Ca 0.85 -0.71 0.05 0.00 -1.71 0.00 0.00 55.69 54.18 3lme s MET 60 Cb -0.63 -2.60 -0.02 0.00 2.01 0.00 0.00 34.83 33.58 3lme s MET 60 CO 0.43 0.59 0.19 -3.38 -0.01 0.00 0.00 175.02 172.84 3lme s HIS 61 N -1.15 1.77 -1.35 -0.03 -3.43 -1.26 -1.61 115.29 108.22 3lme s HIS 61 Ca 0.21 -1.45 -0.15 0.00 -0.80 0.00 0.00 55.06 52.88 3lme s HIS 61 Cb -0.12 -1.00 -0.00 0.00 -1.43 0.00 0.00 32.58 30.04 3lme s HIS 61 CO 0.13 -0.53 2.23 0.41 -2.00 0.00 0.00 174.74 174.98 3lme n GLY 62 N -0.83 4.09 3.50 -1.38 0.00 -1.25 -4.30 105.19 105.01 3lme n GLY 62 Ca -0.01 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 3.42 2.92 0.09 2.61 -4.23 -1.26 -2.91 115.64 116.28 3lme s THR 63 Ca 0.50 -1.43 -0.31 0.00 -1.18 0.00 0.00 61.69 59.28 3lme s THR 63 Cb 0.14 -2.33 -0.07 0.00 1.34 0.00 0.00 72.50 71.59 3lme s THR 63 CO -0.05 0.13 1.26 -0.62 -0.54 0.00 0.00 174.62 174.80 3lme s ASP 64 N -2.06 7.00 0.39 3.99 -1.08 -0.78 -4.94 116.67 119.19 3lme s ASP 64 Ca 0.18 2.14 0.13 0.00 -0.52 0.00 0.00 52.55 54.48 3lme s ASP 64 Cb -0.11 -2.58 0.95 0.00 -1.46 0.00 0.00 42.92 39.72 3lme s ASP 64 CO 0.10 -0.52 1.88 0.08 0.52 0.00 0.00 175.17 177.23 3lme h ARG 65 N 6.62 0.53 0.16 4.34 0.11 -1.91 -1.43 114.38 122.79 3lme h ARG 65 Ca -0.42 -0.03 -0.32 0.00 0.10 0.00 0.00 59.98 59.30 3lme h ARG 65 Cb 1.21 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 32.18 3lme h ARG 65 CO 0.82 0.35 -1.61 -0.24 0.10 0.00 0.00 179.97 179.39 3lme h VAL 66 N 0.54 0.99 0.09 0.08 3.04 -1.92 -3.40 116.25 115.67 3lme h VAL 66 Ca 0.44 -2.48 -0.21 0.00 -1.01 0.00 0.00 66.70 63.44 3lme h VAL 66 Cb 0.87 2.77 -0.00 0.00 -2.01 0.00 0.00 31.29 32.92 3lme h VAL 66 CO -0.18 0.81 -1.04 0.71 -1.01 0.00 0.00 177.57 176.86 3lme h THR 67 N -0.04 1.24 0.00 3.17 1.35 -1.97 -3.48 112.91 113.17 3lme h THR 67 Ca -0.32 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.15 3lme h THR 67 Cb 1.98 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 71.25 3lme h THR 67 CO 0.14 0.63 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 3lme n GLY 68 N 1.66 3.31 3.72 5.82 0.00 -0.54 -5.04 105.19 114.12 3lme n GLY 68 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.00 2.35 -0.03 1.61 -0.14 -1.26 -4.66 119.74 116.61 3lme s LYS 69 Ca 0.00 1.96 -0.26 0.00 -1.36 0.00 0.00 55.97 56.31 3lme s LYS 69 Cb 0.00 -1.83 -0.04 0.00 -1.68 0.00 0.00 37.83 34.28 3lme s LYS 69 CO 0.00 -1.73 0.80 -1.64 -0.76 0.00 0.00 175.35 172.02 3lme s MET 70 N -3.58 4.49 0.77 1.68 -1.94 -1.26 -1.87 119.30 117.58 3lme s MET 70 Ca 0.80 1.08 -0.14 0.00 -1.71 0.00 0.00 55.69 55.72 3lme s MET 70 Cb -0.35 -3.44 0.06 0.00 2.01 0.00 0.00 34.83 33.11 3lme s MET 70 CO 0.42 0.06 1.21 0.08 -0.01 0.00 0.00 175.02 176.77 3lme s VAL 71 N 0.76 2.21 -0.08 -6.03 1.01 -1.15 -4.98 120.40 112.14 3lme s VAL 71 Ca 0.42 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 3lme s VAL 71 Cb -0.19 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3lme s VAL 71 CO 0.22 -0.06 0.11 -1.81 0.00 0.00 0.00 175.10 173.56 3lme s ASP 72 N -2.11 6.08 0.00 3.32 1.01 -1.26 -4.71 116.67 119.00 3lme s ASP 72 Ca 0.74 0.35 0.00 0.00 0.71 0.00 0.00 52.55 54.34 3lme s ASP 72 Cb -0.29 -1.89 0.00 0.00 1.01 0.00 0.00 42.92 41.75 3lme s ASP 72 CO 0.48 0.36 0.00 0.61 0.21 0.00 0.00 175.17 176.83 3lme n GLY 73 N 1.73 4.10 0.00 0.21 0.00 -1.26 -4.70 105.19 105.28 3lme n GLY 73 Ca -0.17 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 0.00 0.09 1.61 10.43 -1.26 -0.16 116.55 127.26 3lme n ASP 74 Ca 0.00 0.92 0.02 0.00 2.57 0.00 0.00 54.79 58.31 3lme n ASP 74 Cb 0.00 -0.42 0.39 0.00 1.84 0.00 0.00 41.12 42.93 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 0.31 -0.25 -1.24 4.81 -1.96 -1.55 114.58 114.71 3lme h GLU 75 Ca 0.00 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 3lme h GLU 75 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3lme h GLU 75 CO 0.00 0.39 -0.18 0.00 -0.73 0.00 0.00 179.01 178.49 3lme h ALA 76 N 1.65 0.35 -0.27 2.92 0.00 -1.75 -2.11 119.26 120.04 3lme h ALA 76 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3lme h ALA 76 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3lme h ALA 76 CO 0.01 0.27 0.14 -0.09 0.00 0.00 0.00 179.25 179.58 3lme h ARG 77 N 0.27 0.38 -0.25 0.00 2.43 -0.11 0.25 114.38 117.35 3lme h ARG 77 Ca 0.05 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3lme h ARG 77 Cb 0.71 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3lme h ARG 77 CO 0.05 0.36 -0.30 0.82 -1.51 0.00 0.00 179.97 179.39 3lme h ILE 78 N 0.31 1.28 -0.18 1.20 2.04 -1.33 0.11 117.51 120.93 3lme h ILE 78 Ca 0.09 -1.37 -0.18 0.00 1.00 0.00 0.00 64.86 64.40 3lme h ILE 78 Cb 0.10 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3lme h ILE 78 CO -0.01 0.43 -0.61 -0.09 0.00 0.00 0.00 178.15 177.87 3lme h ARG 79 N 0.44 0.63 -0.69 2.37 9.65 -1.18 -2.00 114.38 123.60 3lme h ARG 79 Ca 0.06 -0.43 -0.02 0.00 -1.10 0.00 0.00 59.98 58.48 3lme h ARG 79 Cb 0.75 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.36 3lme h ARG 79 CO 0.06 1.05 0.34 -0.09 2.80 0.00 0.00 179.97 184.12 3lme h ARG 80 N 0.47 0.98 -0.23 0.20 9.65 -0.09 0.64 114.38 126.00 3lme h ARG 80 Ca -0.01 -0.13 0.02 0.00 -1.10 0.00 0.00 59.98 58.77 3lme h ARG 80 Cb 1.19 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.56 3lme h ARG 80 CO 0.12 0.75 0.07 1.98 2.80 0.00 0.00 179.97 185.70 3lme h MET 81 N 0.98 0.17 -0.40 0.20 4.05 -0.43 -0.36 114.93 119.14 3lme h MET 81 Ca 0.24 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.55 3lme h MET 81 Cb 0.09 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 3lme h MET 81 CO -0.03 0.11 -0.13 0.74 0.23 0.00 0.00 176.91 177.83 3lme h PHE 82 N 0.18 0.90 -0.96 1.39 0.04 -1.01 -2.80 116.94 114.68 3lme h PHE 82 Ca 0.10 -0.20 0.05 0.00 2.80 0.00 0.00 57.97 60.71 3lme h PHE 82 Cb 0.07 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 37.94 3lme h PHE 82 CO -0.13 0.94 0.62 -0.44 -0.60 0.00 0.00 178.31 178.70 3lme h ASP 83 N 0.60 1.01 -0.02 2.17 3.32 -0.45 0.83 116.42 123.88 3lme h ASP 83 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3lme h ASP 83 Cb 0.67 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 3lme h ASP 83 CO 0.05 0.67 0.01 0.78 -1.72 0.00 0.00 179.24 179.02 3lme h ASN 84 N 1.16 0.03 0.13 6.45 -0.26 -1.00 0.10 115.58 122.19 3lme h ASN 84 Ca 0.40 -0.11 0.02 0.00 -0.56 0.00 0.00 56.30 56.05 3lme h ASN 84 Cb 0.09 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.30 3lme h ASN 84 CO -0.15 0.13 -0.32 -0.03 -1.06 0.00 0.00 177.43 176.00 3lme h MET 85 N -0.08 -0.54 -0.94 0.81 4.05 -1.09 -1.13 114.93 116.01 3lme h MET 85 Ca 0.01 0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.57 3lme h MET 85 Cb 0.11 0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 30.96 3lme h MET 85 CO -0.00 -0.36 0.60 -0.07 0.23 0.00 0.00 176.91 177.31 3lme h LEU 86 N -0.56 0.86 0.72 3.39 3.38 -0.78 0.67 115.31 123.00 3lme h LEU 86 Ca 0.03 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3lme h LEU 86 Cb 0.58 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3lme h LEU 86 CO -0.18 0.50 -0.46 0.00 0.09 0.00 0.00 178.44 178.39 3lme h ALA 87 N 1.54 -1.24 -0.70 1.53 0.00 -0.06 0.18 119.26 120.50 3lme h ALA 87 Ca 0.44 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.27 3lme h ALA 87 Cb 0.41 0.59 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 3lme h ALA 87 CO -0.20 -1.21 -0.03 0.00 0.00 0.00 0.00 179.25 177.82 3lme h ALA 88 N -1.22 0.68 -0.96 0.00 0.00 -0.91 0.15 119.26 117.00 3lme h ALA 88 Ca -0.10 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3lme h ALA 88 Cb 0.89 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3lme h ALA 88 CO 0.09 -0.41 0.62 0.00 0.00 0.00 0.00 179.25 179.55 3lme h ALA 89 N 1.66 1.44 -0.35 0.00 0.00 -0.54 -1.98 119.26 119.49 3lme h ALA 89 Ca 0.37 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 3lme h ALA 89 Cb 0.63 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3lme h ALA 89 CO -0.63 0.42 -0.13 0.93 0.00 0.00 0.00 179.25 179.84 3lme h GLU 90 N 1.13 0.70 0.00 0.00 4.39 0.16 -0.13 114.58 120.83 3lme h GLU 90 Ca 0.41 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3lme h GLU 90 Cb 0.15 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3lme h GLU 90 CO -0.15 0.89 0.22 0.00 -1.16 0.00 0.00 179.01 178.80 3lme n ALA 91 N -2.45 0.68 -1.23 3.43 0.00 0.30 0.15 120.51 121.39 3lme n ALA 91 Ca -0.02 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.59 3lme n ALA 91 Cb 0.37 -0.80 0.12 0.00 0.00 0.00 0.00 19.45 19.14 3lme n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lme n ALA 92 N -1.50 2.27 -0.44 0.00 0.00 -1.08 -4.94 120.51 114.81 3lme n ALA 92 Ca -0.01 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.02 3lme n ALA 92 Cb 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.21 0.74 3.30 0.00 0.00 0.12 -5.04 105.19 103.09 3lme n GLY 93 Ca 0.14 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 1.96 0.43 4.61 0.00 -0.08 -4.91 121.76 121.78 3lme s ALA 94 Ca 0.00 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 50.83 3lme s ALA 94 Cb 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3lme s ALA 94 CO 0.00 0.44 0.08 0.95 0.00 0.00 0.00 175.76 177.23 3lme s THR 95 N -0.90 1.94 0.61 0.00 -4.23 -1.26 -2.40 115.64 109.40 3lme s THR 95 Ca 0.09 -1.88 0.30 0.00 -1.18 0.00 0.00 61.69 59.02 3lme s THR 95 Cb -0.09 -2.82 0.36 0.00 1.34 0.00 0.00 72.50 71.29 3lme s THR 95 CO 0.03 0.00 2.02 0.07 -0.54 0.00 0.00 174.62 176.20 3lme h LYS 96 N 1.54 0.00 -0.04 3.99 5.09 -1.99 -1.30 116.57 123.86 3lme h LYS 96 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.31 3lme h LYS 96 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.59 3lme h LYS 96 CO 0.75 0.00 0.00 0.00 -2.09 0.00 0.00 179.45 178.11 3lme n ALA 97 N -2.22 2.60 0.47 0.07 0.00 -1.26 -3.46 120.51 116.72 3lme n ALA 97 Ca 0.02 -0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.21 3lme n ALA 97 Cb 0.41 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.38 1.41 -4.71 0.00 8.00 -0.49 -5.01 116.55 115.37 3lme n ASP 98 Ca 0.19 -1.21 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 3lme n ASP 98 Cb 0.20 0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.29 3.80 -0.12 2.24 0.00 -1.22 -1.44 121.76 123.72 3lme s ALA 99 Ca 0.10 1.41 0.14 0.00 0.00 0.00 0.00 51.96 53.60 3lme s ALA 99 Cb 0.09 -3.67 -0.20 0.00 0.00 0.00 0.00 23.12 19.34 3lme s ALA 99 CO 0.23 -0.93 0.11 1.33 0.00 0.00 0.00 175.76 176.51 3lme n VAL 100 N 4.20 0.83 -3.73 0.00 0.24 0.77 -4.66 118.33 115.99 3lme n VAL 100 Ca 0.15 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.34 61.75 3lme n VAL 100 Cb 0.38 -0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 32.17 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 -2.50 0.36 -0.13 7.34 3.52 -1.11 -4.32 118.95 122.12 3lme s ARG 101 Ca -0.07 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 3lme s ARG 101 Cb 0.05 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.53 3lme s ARG 101 CO 0.62 -0.11 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.38 3lme s LEU 102 N 0.78 1.47 -0.28 -0.88 1.43 -0.72 -2.15 118.68 118.34 3lme s LEU 102 Ca -0.05 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 3lme s LEU 102 Cb -0.06 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.17 3lme s LEU 102 CO -0.05 -0.07 0.00 -0.89 0.23 0.00 0.00 176.35 175.56 3lme s THR 103 N 1.51 3.25 -0.22 5.49 2.01 -0.69 -1.14 115.64 125.85 3lme s THR 103 Ca 0.03 -1.04 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 3lme s THR 103 Cb -0.13 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 3lme s THR 103 CO -0.08 0.06 0.05 -0.69 -0.69 0.00 0.00 174.62 173.27 3lme s VAL 104 N 1.36 4.34 -0.15 3.82 1.01 0.83 -1.60 120.40 130.00 3lme s VAL 104 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 3lme s VAL 104 Cb -0.18 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3lme s VAL 104 CO -0.01 0.38 -0.06 -0.36 0.00 0.00 0.00 175.10 175.05 3lme s PHE 105 N 1.21 2.97 0.07 5.22 0.08 0.35 -1.69 117.98 126.19 3lme s PHE 105 Ca 0.04 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.71 3lme s PHE 105 Cb -0.14 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 3lme s PHE 105 CO 0.03 -0.12 -0.13 0.14 -0.10 0.00 0.00 175.22 175.05 3lme s VAL 106 N 0.45 1.01 -0.25 -0.44 -7.23 -0.35 -0.47 120.40 113.13 3lme s VAL 106 Ca -0.05 -1.33 0.27 0.00 -1.81 0.00 0.00 61.98 59.06 3lme s VAL 106 Cb -0.15 -1.05 0.36 0.00 0.56 0.00 0.00 36.38 36.10 3lme s VAL 106 CO 0.03 -0.30 1.74 0.71 -0.31 0.00 0.00 175.10 176.97 3lme h THR 107 N 4.19 0.01 -1.86 5.32 1.35 -1.12 0.16 112.91 120.96 3lme h THR 107 Ca -0.39 -0.84 -0.20 0.00 -0.55 0.00 0.00 66.41 64.43 3lme h THR 107 Cb 1.19 1.83 -0.30 0.00 -1.73 0.00 0.00 68.15 69.15 3lme h THR 107 CO 0.42 0.00 -0.53 -0.62 -0.25 0.00 0.00 175.52 174.54 3lme s ASP 108 N -6.03 0.56 0.18 5.36 -1.08 -1.26 -4.62 116.67 109.77 3lme s ASP 108 Ca 0.05 -0.22 -0.03 0.00 -0.52 0.00 0.00 52.55 51.83 3lme s ASP 108 Cb 0.06 1.00 0.09 0.00 -1.46 0.00 0.00 42.92 42.61 3lme s ASP 108 CO 0.63 -0.34 1.47 1.62 0.52 0.00 0.00 175.17 179.07 3lme h VAL 109 N 6.19 1.34 0.16 1.11 3.04 -1.92 0.17 116.25 126.34 3lme h VAL 109 Ca -0.13 -1.94 0.01 0.00 -1.01 0.00 0.00 66.70 63.63 3lme h VAL 109 Cb 1.13 1.92 -0.02 0.00 -2.01 0.00 0.00 31.29 32.30 3lme h VAL 109 CO 0.28 0.59 -0.18 0.00 -1.01 0.00 0.00 177.57 177.25 3lme h ALA 110 N 0.95 -0.34 -0.19 3.17 0.00 -1.99 -1.55 119.26 119.31 3lme h ALA 110 Ca -0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3lme h ALA 110 Cb 1.19 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3lme h ALA 110 CO 0.11 -0.72 -0.38 -0.22 0.00 0.00 0.00 179.25 178.04 3lme h LYS 111 N -0.38 0.43 0.00 0.00 3.64 -1.97 -3.39 116.57 114.90 3lme h LYS 111 Ca 0.01 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3lme h LYS 111 Cb 0.37 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3lme h LYS 111 CO -0.06 0.75 -1.06 0.66 -2.27 0.00 0.00 179.45 177.47 3lme n TYR 112 N -4.04 0.00 -0.04 1.91 4.01 0.60 -4.51 117.16 115.08 3lme n TYR 112 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 3lme n TYR 112 Cb 0.48 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.35 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 0.25 -0.93 -0.72 2.43 -1.47 -0.24 114.38 113.70 3lme h ARG 113 Ca 0.00 -0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.26 3lme h ARG 113 Cb 0.49 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.92 3lme h ARG 113 CO 0.00 0.36 0.60 -1.00 -1.51 0.00 0.00 179.97 178.42 3lme h PRO 114 N 0.09 0.74 -0.15 0.20 0.13 -1.81 0.54 132.00 131.74 3lme h PRO 114 Ca 0.05 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 3lme h PRO 114 Cb 0.22 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 3lme h PRO 114 CO -0.00 0.49 0.06 0.28 -0.23 0.00 0.00 178.00 178.59 3lme h VAL 115 N 0.76 1.17 0.01 1.56 2.07 -1.70 -1.42 116.25 118.70 3lme h VAL 115 Ca 0.48 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3lme h VAL 115 Cb 0.71 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3lme h VAL 115 CO -0.24 0.15 -0.16 0.58 0.02 0.00 0.00 177.57 177.92 3lme h VAL 116 N 0.08 0.61 -0.98 2.57 2.07 0.07 -1.32 116.25 119.35 3lme h VAL 116 Ca 0.05 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.75 3lme h VAL 116 Cb 0.19 0.61 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 3lme h VAL 116 CO -0.00 0.00 0.58 0.78 0.02 0.00 0.00 177.57 178.95 3lme h ASN 117 N -0.27 0.74 0.00 0.57 2.35 0.15 0.01 115.58 119.13 3lme h ASN 117 Ca 0.05 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3lme h ASN 117 Cb 0.33 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3lme h ASN 117 CO -0.15 0.26 -0.00 0.50 -1.65 0.00 0.00 177.43 176.39 3lme h LYS 118 N 0.74 -0.00 -0.86 0.81 3.64 -0.96 -2.54 116.57 117.40 3lme h LYS 118 Ca 0.56 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 60.08 3lme h LYS 118 Cb 0.86 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.59 3lme h LYS 118 CO -0.38 0.68 0.47 0.28 -2.27 0.00 0.00 179.45 178.22 3lme h VAL 119 N -0.68 0.77 -0.29 2.00 2.07 -0.80 -1.24 116.25 118.09 3lme h VAL 119 Ca -0.00 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3lme h VAL 119 Cb 0.68 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3lme h VAL 119 CO 0.00 0.12 -0.11 1.56 0.02 0.00 0.00 177.57 179.16 3lme h GLN 120 N 0.68 0.48 -0.36 1.57 4.20 -0.97 -1.69 115.11 119.03 3lme h GLN 120 Ca 0.46 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.96 3lme h GLN 120 Cb 0.62 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 3lme h GLN 120 CO -0.34 0.60 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.10 3lme h LYS 121 N 0.45 0.70 -0.27 1.46 3.64 -0.82 0.30 116.57 122.02 3lme h LYS 121 Ca 0.09 -0.27 0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3lme h LYS 121 Cb 0.47 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 3lme h LYS 121 CO 0.03 0.86 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.42 3lme h ASP 122 N 0.50 -0.67 -0.10 4.20 3.32 -0.85 0.13 116.42 122.94 3lme h ASP 122 Ca 0.09 0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 3lme h ASP 122 Cb 0.61 0.33 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3lme h ASP 122 CO 0.04 -0.24 -0.26 0.40 -1.72 0.00 0.00 179.24 177.46 3lme h ILE 123 N -0.19 1.40 -0.03 0.35 2.04 -1.20 -3.36 117.51 116.51 3lme h ILE 123 Ca 0.15 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.43 3lme h ILE 123 Cb 0.42 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 3lme h ILE 123 CO -0.39 0.46 -0.10 0.79 0.00 0.00 0.00 178.15 178.91 3lme n TRP 124 N -4.47 0.00 0.00 1.37 8.01 0.10 -5.04 117.44 117.42 3lme n TRP 124 Ca -0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 3lme n TRP 124 Cb 0.45 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.75 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 1.36 3.13 0.01 6.99 0.00 0.44 -2.65 105.19 114.48 3lme n GLY 125 Ca 0.13 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.09 3lme n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3lme n ASP 126 N 7.03 0.33 0.00 1.61 8.00 -1.26 -4.68 116.55 127.58 3lme n ASP 126 Ca 0.00 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.26 3lme n ASP 126 Cb 0.00 1.74 0.00 0.00 -0.02 0.00 0.00 41.12 42.84 3lme n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lme n GLY 127 N 1.34 3.13 3.95 0.44 0.00 -1.08 -4.85 105.19 108.11 3lme n GLY 127 Ca -0.02 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.04 2.29 0.07 1.61 0.05 -1.26 -5.07 135.00 130.64 3lme s PRO 128 Ca 0.00 -0.47 0.05 0.00 0.05 0.00 0.00 61.00 60.63 3lme s PRO 128 Cb 0.00 -2.28 -0.04 0.00 0.05 0.00 0.00 34.50 32.23 3lme s PRO 128 CO 0.00 -1.07 -0.03 0.71 0.05 0.00 0.00 177.00 176.67 3lme s TYR 129 N -3.08 2.95 0.61 0.56 2.02 -1.26 -4.96 117.35 114.18 3lme s TYR 129 Ca 0.59 -0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 57.11 3lme s TYR 129 Cb -0.10 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 3lme s TYR 129 CO 0.42 0.45 1.05 -1.25 -1.57 0.00 0.00 175.55 174.66 3lme s PRO 130 N -2.07 3.29 0.31 -1.71 0.04 -1.26 -5.00 135.00 128.60 3lme s PRO 130 Ca 0.23 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 3lme s PRO 130 Cb -0.11 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 3lme s PRO 130 CO 0.15 -0.83 1.48 -2.14 0.04 0.00 0.00 177.00 175.70 3lme s PRO 131 N -4.28 4.18 0.22 0.56 0.02 -1.26 -4.92 135.00 129.52 3lme s PRO 131 Ca 0.62 2.46 -0.04 0.00 0.02 0.00 0.00 61.00 64.06 3lme s PRO 131 Cb -0.15 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 3lme s PRO 131 CO 0.40 -0.49 0.24 -0.98 -0.33 0.00 0.00 177.00 175.85 3lme s ARG 132 N -1.16 1.32 -0.14 5.54 1.70 -1.26 -1.75 118.95 123.20 3lme s ARG 132 Ca 0.57 -1.53 -0.09 0.00 -0.47 0.00 0.00 55.73 54.21 3lme s ARG 132 Cb -0.45 0.33 0.05 0.00 -0.57 0.00 0.00 34.95 34.31 3lme s ARG 132 CO 0.52 -0.48 0.36 -0.08 -1.08 0.00 0.00 175.30 174.54 3lme s THR 133 N -4.09 -0.02 -0.23 4.99 -1.32 -0.30 -4.94 115.64 109.74 3lme s THR 133 Ca 0.34 0.08 0.02 0.00 -1.21 0.00 0.00 61.69 60.92 3lme s THR 133 Cb 0.05 -0.52 0.05 0.00 -1.51 0.00 0.00 72.50 70.56 3lme s THR 133 CO 0.12 0.03 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.73 3lme s VAL 134 N 0.99 2.10 0.11 5.08 1.01 -1.26 -0.12 120.40 128.32 3lme s VAL 134 Ca -0.07 -1.38 0.10 0.00 0.00 0.00 0.00 61.98 60.63 3lme s VAL 134 Cb -0.07 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3lme s VAL 134 CO -0.08 0.16 -0.25 -0.76 0.00 0.00 0.00 175.10 174.18 3lme s LEU 135 N 1.18 2.29 0.38 3.92 1.43 -0.68 -5.00 118.68 122.20 3lme s LEU 135 Ca -0.04 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.18 3lme s LEU 135 Cb -0.18 -1.13 -0.09 0.00 0.03 0.00 0.00 46.19 44.83 3lme s LEU 135 CO -0.08 0.15 0.83 -1.58 0.23 0.00 0.00 176.35 175.91 3lme s GLN 136 N -1.91 4.05 -0.14 1.70 0.74 -1.26 -1.21 119.66 121.64 3lme s GLN 136 Ca 0.11 0.83 -0.11 0.00 0.05 0.00 0.00 55.36 56.25 3lme s GLN 136 Cb -0.10 -2.31 0.04 0.00 1.10 0.00 0.00 33.01 31.74 3lme s GLN 136 CO 0.05 0.04 0.36 0.54 -0.55 0.00 0.00 175.29 175.72 3lme s VAL 137 N -2.15 -0.01 -0.85 1.34 0.11 0.56 -4.83 120.40 114.56 3lme s VAL 137 Ca 0.57 0.05 0.25 0.00 -2.93 0.00 0.00 61.98 59.92 3lme s VAL 137 Cb -0.10 -0.51 0.24 0.00 -1.53 0.00 0.00 36.38 34.48 3lme s VAL 137 CO 0.18 0.02 1.79 -0.81 -3.33 0.00 0.00 175.10 172.95 3lme n PRO 138 N 3.46 0.11 -3.49 1.54 -0.04 -1.26 -4.00 135.00 131.31 3lme n PRO 138 Ca -0.18 0.16 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 3lme n PRO 138 Cb 0.56 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 3lme n PRO 138 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3lme s ALA 139 N -3.07 -1.76 0.18 0.55 0.00 -1.26 -5.01 121.76 111.38 3lme s ALA 139 Ca 0.11 0.99 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 3lme s ALA 139 Cb 0.14 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 3lme s ALA 139 CO 0.50 -0.61 0.10 -0.51 0.00 0.00 0.00 175.76 175.24 3lme s LEU 140 N -2.17 1.41 -0.95 0.00 1.43 -1.26 -5.05 118.68 112.09 3lme s LEU 140 Ca 0.00 -1.32 -0.29 0.00 -1.03 0.00 0.00 54.13 51.49 3lme s LEU 140 Cb -0.01 0.32 -0.21 0.00 0.03 0.00 0.00 46.19 46.32 3lme s LEU 140 CO -0.06 -0.79 2.63 0.47 0.23 0.00 0.00 176.35 178.83 3lme n ASP 141 N -0.22 0.37 0.00 2.29 8.00 -1.26 -2.39 116.55 123.35 3lme n ASP 141 Ca -0.01 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.53 3lme n ASP 141 Cb 0.65 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 3lme n ASP 141 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3lme n GLN 142 N 8.33 0.00 -0.42 -1.24 7.27 -1.26 -3.79 117.38 126.27 3lme n GLN 142 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.70 3lme n GLN 142 Cb 0.09 -1.25 0.00 0.00 2.41 0.00 0.00 30.24 31.49 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 -2.19 0.72 3.39 1.69 0.00 -1.00 -5.06 105.19 102.73 3lme n GLY 143 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.91 -0.08 -0.07 1.61 -1.08 -1.25 -4.90 116.67 108.00 3lme s ASP 144 Ca 0.00 1.31 0.20 0.00 -0.52 0.00 0.00 52.55 53.54 3lme s ASP 144 Cb 0.00 -1.99 -0.27 0.00 -1.46 0.00 0.00 42.92 39.20 3lme s ASP 144 CO 0.00 -4.82 0.39 2.30 0.52 0.00 0.00 175.17 173.56 3lme n ILE 145 N -5.32 0.72 -3.67 4.11 -5.35 -1.26 -4.62 119.36 103.97 3lme n ILE 145 Ca 0.05 -0.67 -0.14 0.00 -0.27 0.00 0.00 62.75 61.72 3lme n ILE 145 Cb 0.56 -0.29 -0.08 0.00 -1.74 0.00 0.00 39.64 38.09 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 -3.04 -1.25 0.05 -1.28 0.00 -1.26 -0.84 121.76 114.14 3lme s ALA 146 Ca -0.08 1.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 3lme s ALA 146 Cb 0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3lme s ALA 146 CO 0.86 -0.28 -0.03 -2.00 0.00 0.00 0.00 175.76 174.31 3lme s GLU 147 N -0.54 0.62 -0.10 0.00 2.12 0.39 -4.50 118.70 116.68 3lme s GLU 147 Ca -0.07 -1.19 -0.08 0.00 0.36 0.00 0.00 54.97 54.00 3lme s GLU 147 Cb -0.03 0.15 0.03 0.00 0.26 0.00 0.00 34.13 34.54 3lme s GLU 147 CO 0.04 -0.09 0.26 -1.50 -0.54 0.00 0.00 175.26 173.42 3lme s ILE 148 N -3.69 -0.01 -0.19 -3.70 2.07 -0.63 -0.50 121.20 114.55 3lme s ILE 148 Ca 0.06 0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.27 3lme s ILE 148 Cb 0.06 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 42.25 3lme s ILE 148 CO -0.09 0.01 0.02 -1.81 -1.91 0.00 0.00 174.94 171.17 3lme s ASP 149 N 0.39 5.16 0.11 4.50 1.01 -0.62 -0.68 116.67 126.54 3lme s ASP 149 Ca -0.02 -0.07 0.10 0.00 0.71 0.00 0.00 52.55 53.26 3lme s ASP 149 Cb -0.04 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 3lme s ASP 149 CO -0.02 0.12 -0.23 -0.83 0.21 0.00 0.00 175.17 174.43 3lme s GLY 150 N 0.65 1.62 -0.06 0.21 0.00 -1.18 -1.70 107.32 106.86 3lme s GLY 150 Ca 0.01 -1.39 -0.03 0.00 0.00 0.00 0.00 44.72 43.31 3lme s GLY 150 CO 0.02 -1.36 0.13 -1.59 0.00 0.00 0.00 173.10 170.30 3lme s THR 151 N -1.07 -0.04 0.14 0.90 2.01 -0.91 -1.71 115.64 114.95 3lme s THR 151 Ca 0.16 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.36 3lme s THR 151 Cb -0.10 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 3lme s THR 151 CO 0.08 0.06 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.57 3lme s PHE 152 N 0.94 1.43 -0.21 4.92 0.40 0.17 -0.16 117.98 125.47 3lme s PHE 152 Ca -0.07 -0.59 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 3lme s PHE 152 Cb -0.10 -0.73 0.04 0.00 0.51 0.00 0.00 43.02 42.75 3lme s PHE 152 CO -0.04 0.17 -0.13 -0.47 0.70 0.00 0.00 175.22 175.44 3lme s TYR 153 N -2.46 2.78 -0.78 0.36 5.04 -0.52 -1.10 117.35 120.67 3lme s TYR 153 Ca 0.12 -1.84 0.06 0.00 -2.44 0.00 0.00 57.07 52.97 3lme s TYR 153 Cb -0.03 -1.80 0.05 0.00 0.35 0.00 0.00 41.96 40.53 3lme s TYR 153 CO 0.03 -0.80 0.70 0.00 -1.34 0.00 0.00 175.55 174.14