#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smo n GLU 27 N 0.00 2.18 -4.60 3.44 -0.58 -1.26 -4.82 120.64 115.00 1smo n GLU 27 Ca 0.00 0.77 -0.26 0.00 -0.42 0.00 0.00 57.16 57.25 1smo n GLU 27 Cb 0.00 -2.42 -0.17 0.00 -0.57 0.00 0.00 31.44 28.28 1smo n GLU 27 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1smo s LYS 28 N -0.96 1.91 -0.18 3.49 2.20 -1.26 -1.02 119.74 123.92 1smo s LYS 28 Ca 0.63 -0.47 -0.01 0.00 -0.36 0.00 0.00 55.97 55.76 1smo s LYS 28 Cb -0.59 -1.58 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 1smo s LYS 28 CO 0.54 0.02 -0.13 0.71 -0.36 0.00 0.00 175.35 176.12 1smo s TYR 29 N 0.73 2.83 -0.33 4.03 2.02 -0.01 -4.99 117.35 121.64 1smo s TYR 29 Ca -0.13 -1.15 -0.11 0.00 -0.37 0.00 0.00 57.07 55.31 1smo s TYR 29 Cb -0.16 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.44 1smo s TYR 29 CO 0.03 -0.57 0.19 -1.21 -1.57 0.00 0.00 175.55 172.42 1smo s GLU 30 N 1.11 3.36 0.26 -0.62 0.41 -1.26 -1.04 118.70 120.92 1smo s GLU 30 Ca 0.00 -0.72 0.05 0.00 -0.41 0.00 0.00 54.97 53.89 1smo s GLU 30 Cb -0.14 -3.68 -0.06 0.00 -1.78 0.00 0.00 34.13 28.47 1smo s GLU 30 CO -0.04 -0.45 -0.01 -0.51 -0.49 0.00 0.00 175.26 173.75 1smo s LEU 31 N 1.65 2.28 0.22 1.80 1.43 -0.03 -5.00 118.68 121.03 1smo s LEU 31 Ca 0.05 -1.23 0.06 0.00 -1.03 0.00 0.00 54.13 51.98 1smo s LEU 31 Cb -0.17 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 1smo s LEU 31 CO 0.08 -0.47 0.24 -0.54 0.23 0.00 0.00 176.35 175.89 1smo s LYS 32 N -3.82 3.11 0.30 1.70 -0.14 -1.26 -1.94 119.74 117.69 1smo s LYS 32 Ca 0.30 -0.89 -0.29 0.00 -1.36 0.00 0.00 55.97 53.73 1smo s LYS 32 Cb 0.05 -2.71 -0.13 0.00 -1.68 0.00 0.00 37.83 33.36 1smo s LYS 32 CO 0.10 0.44 1.27 0.39 -0.76 0.00 0.00 175.35 176.80 1smo n GLU 33 N -1.01 1.95 0.00 1.68 1.02 -0.34 -1.92 120.64 122.02 1smo n GLU 33 Ca -0.08 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1smo n GLU 33 Cb 0.57 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 1smo n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1smo n GLY 34 N 1.26 2.67 3.92 0.62 0.00 0.09 -4.89 105.19 108.87 1smo n GLY 34 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1smo n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1smo s GLN 35 N -0.72 1.02 -0.07 1.61 -0.21 -0.81 -4.23 119.66 116.24 1smo s GLN 35 Ca 0.00 -0.27 0.04 0.00 0.02 0.00 0.00 55.36 55.15 1smo s GLN 35 Cb 0.00 -1.88 -0.00 0.00 1.00 0.00 0.00 33.01 32.13 1smo s GLN 35 CO 0.00 -2.18 -0.21 0.99 -2.12 0.00 0.00 175.29 171.77 1smo s THR 36 N -3.80 1.78 -0.08 -0.19 2.01 -1.26 -1.24 115.64 112.86 1smo s THR 36 Ca 0.71 -0.88 -0.22 0.00 0.31 0.00 0.00 61.69 61.61 1smo s THR 36 Cb -0.06 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1smo s THR 36 CO 0.52 0.50 0.62 -0.22 -0.69 0.00 0.00 174.62 175.35 1smo s LEU 37 N 0.24 4.31 -0.20 4.42 2.96 -0.09 -4.94 118.68 125.38 1smo s LEU 37 Ca -0.12 1.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.82 1smo s LEU 37 Cb -0.16 -2.95 0.06 0.00 0.50 0.00 0.00 46.19 43.65 1smo s LEU 37 CO 0.06 -0.07 0.06 -0.62 -1.32 0.00 0.00 176.35 174.46 1smo s ASP 38 N 0.72 2.84 0.20 3.68 -1.08 -1.26 -0.74 116.67 121.03 1smo s ASP 38 Ca 0.34 -0.84 0.05 0.00 -0.52 0.00 0.00 52.55 51.58 1smo s ASP 38 Cb -0.17 -0.49 -0.05 0.00 -1.46 0.00 0.00 42.92 40.76 1smo s ASP 38 CO 0.15 -0.33 -0.08 0.68 0.52 0.00 0.00 175.17 176.11 1smo s VAL 39 N 1.95 1.34 -0.07 1.11 -7.23 -0.29 -5.01 120.40 112.19 1smo s VAL 39 Ca 0.01 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.12 1smo s VAL 39 Cb -0.17 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1smo s VAL 39 CO -0.11 -0.55 -0.20 -1.59 -0.31 0.00 0.00 175.10 172.34 1smo s LYS 40 N -3.75 2.39 -0.29 4.82 -2.85 -1.26 -0.73 119.74 118.07 1smo s LYS 40 Ca 0.23 -0.71 -0.05 0.00 -1.00 0.00 0.00 55.97 54.43 1smo s LYS 40 Cb 0.03 -1.91 0.02 0.00 -2.06 0.00 0.00 37.83 33.91 1smo s LYS 40 CO 0.06 0.18 0.05 0.00 0.10 0.00 0.00 175.35 175.73 1smo s ASP 42 N 1.44 6.90 0.14 0.00 -4.77 -1.26 -0.94 116.67 118.17 1smo s ASP 42 Ca 0.01 1.46 -0.05 0.00 -3.30 0.00 0.00 52.55 50.67 1smo s ASP 42 Cb -0.18 -2.45 -0.02 0.00 -1.09 0.00 0.00 42.92 39.19 1smo s ASP 42 CO 0.01 -0.21 0.16 -0.72 0.70 0.00 0.00 175.17 175.11 1smo s TYR 43 N -1.96 0.56 -0.51 2.11 -0.85 -0.21 -4.85 117.35 111.64 1smo s TYR 43 Ca 0.55 -0.95 -0.28 0.00 -0.52 0.00 0.00 57.07 55.87 1smo s TYR 43 Cb -0.11 -0.24 0.01 0.00 0.38 0.00 0.00 41.96 41.99 1smo s TYR 43 CO 0.17 -0.60 1.45 0.99 -1.52 0.00 0.00 175.55 176.03 1smo s THR 44 N -3.99 3.80 0.23 -3.49 2.01 -1.26 -4.63 115.64 108.32 1smo s THR 44 Ca 0.18 0.73 -0.06 0.00 0.31 0.00 0.00 61.69 62.85 1smo s THR 44 Cb 0.05 -4.31 0.20 0.00 0.01 0.00 0.00 72.50 68.45 1smo s THR 44 CO -0.01 -0.99 1.74 0.25 -0.69 0.00 0.00 174.62 174.92 1smo h LEU 45 N 12.97 0.31 -0.81 4.42 6.46 -1.92 -0.12 115.31 136.62 1smo h LEU 45 Ca -0.27 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1smo h LEU 45 Cb 1.10 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1smo h LEU 45 CO 1.14 0.14 0.00 -0.33 -0.62 0.00 0.00 178.44 178.78 1smo h GLU 46 N 0.47 0.00 0.01 1.25 3.07 -1.95 -2.72 114.58 114.70 1smo h GLU 46 Ca 0.38 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.86 1smo h GLU 46 Cb 0.53 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.38 1smo h GLU 46 CO -0.36 0.00 -2.41 1.17 -1.40 0.00 0.00 179.01 176.01 1smo n LYS 47 N -2.85 0.67 0.00 2.33 3.00 -0.70 -4.84 118.16 115.77 1smo n LYS 47 Ca 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 1smo n LYS 47 Cb 0.36 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.85 1smo n LYS 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1smo n PHE 48 N -3.10 0.00 -0.19 5.64 3.72 -0.14 -4.81 117.46 118.58 1smo n PHE 48 Ca -0.40 -0.11 -0.00 0.00 -0.05 0.00 0.00 57.45 56.89 1smo n PHE 48 Cb 1.05 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 39.66 1smo n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1smo h ALA 49 N 0.00 0.55 -0.17 4.37 0.00 -1.66 -1.50 119.26 120.85 1smo h ALA 49 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1smo h ALA 49 Cb 0.28 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1smo h ALA 49 CO 0.00 -0.39 0.00 -1.13 0.00 0.00 0.00 179.25 177.73 1smo n SER 50 N -5.26 2.61 -4.76 0.00 3.41 -1.26 -4.72 113.62 103.63 1smo n SER 50 Ca 0.08 -1.85 -0.39 0.00 -0.26 0.00 0.00 58.87 56.44 1smo n SER 50 Cb 0.32 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.18 1smo n SER 50 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1smo s SER 51 N -1.74 5.86 0.36 4.04 0.01 -0.57 -1.21 113.70 120.46 1smo s SER 51 Ca 0.34 2.75 -0.28 0.00 1.31 0.00 0.00 55.95 60.07 1smo s SER 51 Cb 0.21 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.70 1smo s SER 51 CO 0.30 -1.17 1.34 -1.58 0.41 0.00 0.00 173.24 172.55 1smo s GLN 52 N -2.53 4.18 0.12 12.44 0.74 -1.26 -4.10 119.66 129.25 1smo s GLN 52 Ca 0.63 2.27 0.04 0.00 0.05 0.00 0.00 55.36 58.35 1smo s GLN 52 Cb -0.40 -2.95 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 1smo s GLN 52 CO 0.50 -0.35 -0.10 0.15 -0.55 0.00 0.00 175.29 174.93 1smo s LYS 53 N -1.99 0.95 0.06 1.67 1.02 -1.26 -0.63 119.74 119.55 1smo s LYS 53 Ca 0.52 -1.28 -0.09 0.00 0.02 0.00 0.00 55.97 55.14 1smo s LYS 53 Cb -0.41 -0.60 -0.00 0.00 -0.52 0.00 0.00 37.83 36.30 1smo s LYS 53 CO 0.54 0.09 0.18 0.00 -0.92 0.00 0.00 175.35 175.24 1smo s ALA 54 N -2.77 -0.27 -0.16 5.17 0.00 -0.42 -0.99 121.76 122.32 1smo s ALA 54 Ca 0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 1smo s ALA 54 Cb -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1smo s ALA 54 CO 0.00 -0.42 -0.07 -0.46 0.00 0.00 0.00 175.76 174.82 1smo s TRP 55 N -3.10 2.94 0.06 0.00 -0.11 -0.33 -1.29 118.94 117.12 1smo s TRP 55 Ca -0.01 -0.53 0.07 0.00 1.22 0.00 0.00 56.10 56.85 1smo s TRP 55 Cb 0.01 -1.96 -0.03 0.00 -1.50 0.00 0.00 33.47 30.00 1smo s TRP 55 CO -0.07 -0.20 -0.20 -0.65 -4.62 0.00 0.00 176.95 171.22 1smo s GLN 56 N 0.60 1.23 -0.03 5.86 -0.21 -0.06 -0.95 119.66 126.10 1smo s GLN 56 Ca -0.04 -0.98 -0.07 0.00 0.02 0.00 0.00 55.36 54.28 1smo s GLN 56 Cb -0.15 -1.37 -0.05 0.00 1.00 0.00 0.00 33.01 32.45 1smo s GLN 56 CO 0.03 0.34 0.23 -1.50 -2.12 0.00 0.00 175.29 172.27 1smo s ILE 57 N -0.93 5.36 -0.42 1.08 2.07 -0.22 -1.24 121.20 126.89 1smo s ILE 57 Ca 0.06 0.21 -0.17 0.00 -1.41 0.00 0.00 60.65 59.33 1smo s ILE 57 Cb -0.09 -3.53 0.02 0.00 0.13 0.00 0.00 42.46 38.99 1smo s ILE 57 CO 0.02 0.46 0.45 -0.63 -1.91 0.00 0.00 174.94 173.34 1smo s ILE 58 N -1.20 5.07 0.58 2.00 -1.09 0.33 -0.71 121.20 126.19 1smo s ILE 58 Ca 0.23 -0.28 0.02 0.00 -2.23 0.00 0.00 60.65 58.39 1smo s ILE 58 Cb -0.13 -4.04 0.06 0.00 -1.58 0.00 0.00 42.46 36.76 1smo s ILE 58 CO 0.12 -0.42 0.81 -0.13 -1.23 0.00 0.00 174.94 174.10 1smo s ARG 59 N 2.19 2.35 0.10 2.79 0.52 -0.44 -4.55 118.95 121.91 1smo s ARG 59 Ca 0.13 -0.94 -0.34 0.00 -0.52 0.00 0.00 55.73 54.06 1smo s ARG 59 Cb -0.17 -2.48 -0.18 0.00 0.52 0.00 0.00 34.95 32.64 1smo s ARG 59 CO 0.14 -0.86 0.79 -0.25 0.02 0.00 0.00 175.30 175.13 1smo n ASP 60 N -2.42 -0.60 -0.16 0.23 8.00 -1.26 -1.87 116.55 118.47 1smo n ASP 60 Ca 0.10 1.12 -0.02 0.00 0.71 0.00 0.00 54.79 56.70 1smo n ASP 60 Cb 0.60 -0.92 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 1smo n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1smo n GLY 61 N 1.71 0.54 3.57 0.44 0.00 -1.26 -3.89 105.19 106.30 1smo n GLY 61 Ca 0.19 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 1smo n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1smo n GLU 62 N -2.93 -6.74 -3.64 1.61 -0.58 -0.78 -4.98 120.64 102.60 1smo n GLU 62 Ca -0.02 0.79 -0.39 0.00 -0.42 0.00 0.00 57.16 57.12 1smo n GLU 62 Cb 0.07 -5.75 -0.10 0.00 -0.57 0.00 0.00 31.44 25.10 1smo n GLU 62 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1smo s MET 63 N -5.87 2.32 0.49 3.49 -1.94 -0.88 -4.93 119.30 111.97 1smo s MET 63 Ca 0.25 -1.75 -0.22 0.00 -1.71 0.00 0.00 55.69 52.26 1smo s MET 63 Cb -0.12 -3.79 -0.07 0.00 2.01 0.00 0.00 34.83 32.87 1smo s MET 63 CO 0.75 -1.13 1.21 -2.14 -0.01 0.00 0.00 175.02 173.71 1smo s PRO 64 N 1.29 3.55 -0.10 2.03 0.02 -1.26 -1.33 135.00 139.20 1smo s PRO 64 Ca 0.06 1.88 0.01 0.00 0.02 0.00 0.00 61.00 62.97 1smo s PRO 64 Cb -0.25 -2.33 0.02 0.00 0.02 0.00 0.00 34.50 31.96 1smo s PRO 64 CO -0.02 -0.75 -0.12 0.21 -0.33 0.00 0.00 177.00 176.00 1smo s LYS 65 N -2.80 1.83 -0.04 5.54 2.20 0.11 -4.90 119.74 121.68 1smo s LYS 65 Ca 0.67 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 55.56 1smo s LYS 65 Cb -0.31 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.32 1smo s LYS 65 CO 0.37 -0.12 1.21 0.99 -0.36 0.00 0.00 175.35 177.44 1smo s THR 66 N 1.16 4.21 -0.11 3.43 2.01 -1.26 -1.06 115.64 124.03 1smo s THR 66 Ca -0.04 1.55 0.16 0.00 0.31 0.00 0.00 61.69 63.67 1smo s THR 66 Cb -0.14 -3.99 -0.24 0.00 0.01 0.00 0.00 72.50 68.13 1smo s THR 66 CO -0.03 0.01 0.20 0.18 -0.69 0.00 0.00 174.62 174.29 1smo n LEU 67 N 5.05 0.00 -3.68 4.42 4.77 -0.13 -4.97 117.00 122.47 1smo n LEU 67 Ca 0.11 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 1smo n LEU 67 Cb 0.46 0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.71 1smo n LEU 67 CO 0.55 0.24 0.23 0.00 -1.33 0.00 0.00 177.39 177.09 1smo s ALA 68 N -2.76 -1.34 0.05 -1.18 0.00 -1.18 -4.93 121.76 110.43 1smo s ALA 68 Ca -0.08 1.40 -0.00 0.00 0.00 0.00 0.00 51.96 53.28 1smo s ALA 68 Cb 0.08 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1smo s ALA 68 CO 0.72 -0.27 -0.04 0.00 0.00 0.00 0.00 175.76 176.17 1smo s THR 70 N -3.03 1.92 1.02 0.00 -4.23 -0.16 -5.00 115.64 106.16 1smo s THR 70 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.37 1smo s THR 70 Cb 0.01 -2.87 0.20 0.00 1.34 0.00 0.00 72.50 71.19 1smo s THR 70 CO -0.06 0.00 1.15 -1.61 -0.54 0.00 0.00 174.62 173.56 1smo s GLU 71 N -5.69 0.24 -0.22 3.99 0.41 -1.26 -4.73 118.70 111.44 1smo s GLU 71 Ca 0.71 0.11 0.01 0.00 -0.41 0.00 0.00 54.97 55.40 1smo s GLU 71 Cb -0.07 -1.75 0.05 0.00 -1.78 0.00 0.00 34.13 30.58 1smo s GLU 71 CO 0.53 -2.77 -0.10 0.50 -0.49 0.00 0.00 175.26 172.93 1smo s ARG 72 N -5.35 2.03 0.88 1.61 3.52 -1.26 -2.21 118.95 118.16 1smo s ARG 72 Ca 0.68 -1.00 -0.11 0.00 -0.13 0.00 0.00 55.73 55.17 1smo s ARG 72 Cb -0.12 -2.58 0.12 0.00 -1.56 0.00 0.00 34.95 30.81 1smo s ARG 72 CO 0.55 -0.49 1.09 -1.25 -0.81 0.00 0.00 175.30 174.39 1smo s PRO 73 N 1.32 1.42 0.13 5.12 0.04 -1.26 -5.07 135.00 136.70 1smo s PRO 73 Ca -0.04 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 61.55 1smo s PRO 73 Cb -0.18 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1smo s PRO 73 CO -0.07 -2.14 1.48 0.45 0.04 0.00 0.00 177.00 176.75 1smo s SER 74 N -3.43 6.71 0.12 6.66 0.15 -0.35 -4.92 113.70 118.64 1smo s SER 74 Ca 0.63 2.46 -0.29 0.00 0.70 0.00 0.00 55.95 59.45 1smo s SER 74 Cb -0.18 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.48 1smo s SER 74 CO 0.57 -0.74 0.93 -0.54 1.20 0.00 0.00 173.24 174.66 1smo s LYS 75 N 1.18 4.69 0.15 5.44 -0.14 -1.26 -4.71 119.74 125.09 1smo s LYS 75 Ca 0.67 1.41 -0.31 0.00 -1.36 0.00 0.00 55.97 56.37 1smo s LYS 75 Cb -0.40 -3.36 -0.10 0.00 -1.68 0.00 0.00 37.83 32.29 1smo s LYS 75 CO 0.31 0.26 1.67 1.21 -0.76 0.00 0.00 175.35 178.04 1smo s ASN 76 N -0.16 6.51 0.00 2.83 2.47 -1.26 -4.16 114.94 121.17 1smo s ASN 76 Ca 0.45 2.67 0.00 0.00 0.42 0.00 0.00 52.86 56.40 1smo s ASN 76 Cb -0.23 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 36.98 1smo s ASN 76 CO 0.29 -0.90 0.00 -1.20 -3.72 0.00 0.00 177.10 171.57 1smo n SER 77 N 4.63 0.00 -4.70 -4.21 7.64 0.29 -4.96 113.62 112.30 1smo n SER 77 Ca 0.15 0.00 -0.54 0.00 1.01 0.00 0.00 58.87 59.49 1smo n SER 77 Cb 0.38 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.52 1smo n SER 77 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1smo n HIS 78 N 0.00 2.17 -2.01 1.43 -0.00 -1.26 -4.55 115.22 111.00 1smo n HIS 78 Ca 0.00 0.32 -0.42 0.00 -0.00 0.00 0.00 57.72 57.62 1smo n HIS 78 Cb 0.00 -2.54 -0.03 0.00 -0.00 0.00 0.00 29.99 27.42 1smo n HIS 78 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1smo s PRO 79 N 3.81 4.19 -0.40 1.57 0.02 -1.26 -4.62 135.00 138.30 1smo s PRO 79 Ca 0.96 2.19 -0.15 0.00 0.02 0.00 0.00 61.00 64.02 1smo s PRO 79 Cb -0.92 -3.90 0.01 0.00 0.02 0.00 0.00 34.50 29.71 1smo s PRO 79 CO 0.60 -0.81 0.33 0.08 -0.33 0.00 0.00 177.00 176.88 1smo s VAL 80 N 3.72 5.22 -0.20 3.83 1.01 -0.16 -4.96 120.40 128.87 1smo s VAL 80 Ca 0.73 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 1smo s VAL 80 Cb -0.34 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1smo s VAL 80 CO 0.30 -0.29 -0.04 -1.58 0.00 0.00 0.00 175.10 173.49 1smo s GLN 81 N 1.82 3.49 -0.22 2.72 0.74 -1.26 -0.76 119.66 126.19 1smo s GLN 81 Ca 0.07 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 54.90 1smo s GLN 81 Cb -0.18 -2.98 0.06 0.00 1.10 0.00 0.00 33.01 31.00 1smo s GLN 81 CO 0.11 -0.03 -0.05 0.08 -0.55 0.00 0.00 175.29 174.84 1smo s VAL 82 N 1.07 1.43 0.00 1.34 1.01 -0.08 -5.00 120.40 120.18 1smo s VAL 82 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1smo s VAL 82 Cb -0.15 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1smo s VAL 82 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1smo n GLY 83 N 4.72 3.87 1.68 4.51 0.00 -1.26 -1.61 105.19 117.10 1smo n GLY 83 Ca -0.12 0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1smo n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smo n ARG 84 N 14.00 4.16 -4.56 1.61 1.74 -1.26 -4.91 116.66 127.44 1smo n ARG 84 Ca 0.00 -2.85 -0.33 0.00 -0.77 0.00 0.00 57.85 53.90 1smo n ARG 84 Cb 0.00 -2.05 -0.13 0.00 -1.02 0.00 0.00 32.46 29.26 1smo n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1smo s ILE 85 N -2.26 3.61 -0.15 0.55 1.01 -0.63 -0.71 121.20 122.61 1smo s ILE 85 Ca 0.50 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1smo s ILE 85 Cb 0.35 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 40.30 1smo s ILE 85 CO 0.19 0.52 -0.17 -0.63 0.00 0.00 0.00 174.94 174.85 1smo s ILE 86 N 0.13 1.79 -0.12 2.92 1.01 0.11 -0.90 121.20 126.14 1smo s ILE 86 Ca -0.03 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 1smo s ILE 86 Cb -0.14 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1smo s ILE 86 CO 0.03 0.50 0.08 -0.76 0.00 0.00 0.00 174.94 174.79 1smo s LEU 87 N 1.30 4.04 -0.08 2.97 1.43 0.06 -0.97 118.68 127.43 1smo s LEU 87 Ca 0.03 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1smo s LEU 87 Cb -0.13 -1.98 0.04 0.00 0.03 0.00 0.00 46.19 44.15 1smo s LEU 87 CO -0.10 0.35 0.06 -1.61 0.23 0.00 0.00 176.35 175.28 1smo s GLU 88 N -0.66 0.08 -0.38 1.70 2.02 -0.43 -0.98 118.70 120.04 1smo s GLU 88 Ca 0.12 0.21 -0.17 0.00 0.02 0.00 0.00 54.97 55.16 1smo s GLU 88 Cb -0.12 -0.91 0.01 0.00 0.10 0.00 0.00 34.13 33.21 1smo s GLU 88 CO 0.02 -0.41 0.43 0.34 0.02 0.00 0.00 175.26 175.67 1smo s ASP 89 N 2.12 6.21 -1.05 -0.19 -1.08 -1.26 -0.74 116.67 120.69 1smo s ASP 89 Ca 0.04 -0.41 -0.14 0.00 -0.52 0.00 0.00 52.55 51.52 1smo s ASP 89 Cb -0.13 -2.23 0.19 0.00 -1.46 0.00 0.00 42.92 39.29 1smo s ASP 89 CO -0.05 -0.49 1.17 -0.31 0.52 0.00 0.00 175.17 176.01 1smo s TYR 90 N 2.16 3.59 0.32 -5.34 4.12 0.11 -0.55 117.35 121.77 1smo s TYR 90 Ca 0.13 -2.01 0.01 0.00 0.02 0.00 0.00 57.07 55.22 1smo s TYR 90 Cb -0.16 -4.13 0.56 0.00 -1.52 0.00 0.00 41.96 36.71 1smo s TYR 90 CO 0.13 -1.27 1.94 0.45 0.02 0.00 0.00 175.55 176.83 1smo h HIS 91 N 7.64 0.97 0.00 2.71 3.86 -1.91 -1.54 115.15 126.88 1smo h HIS 91 Ca 0.21 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1smo h HIS 91 Cb 0.94 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.09 1smo h HIS 91 CO 1.04 0.54 0.00 -0.44 0.86 0.00 0.00 177.93 179.93 1smo h ASP 92 N 0.98 0.00 -0.09 2.45 3.32 -1.95 -3.19 116.42 117.94 1smo h ASP 92 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1smo h ASP 92 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1smo h ASP 92 CO -0.11 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.82 1smo n HIS 93 N -2.48 0.11 -3.34 4.55 8.25 -0.84 -5.02 115.22 116.44 1smo n HIS 93 Ca 0.03 -0.19 -0.18 0.00 -0.26 0.00 0.00 57.72 57.12 1smo n HIS 93 Cb 0.34 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.50 1smo n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1smo n GLY 94 N 0.28 -0.27 3.22 -1.41 0.00 -0.64 -4.93 105.19 101.44 1smo n GLY 94 Ca 0.05 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1smo n GLY 94 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1smo s LEU 95 N -6.04 1.02 -0.25 0.99 0.05 -1.15 -1.05 118.68 112.26 1smo s LEU 95 Ca 0.35 -0.08 -0.08 0.00 0.05 0.00 0.00 54.13 54.38 1smo s LEU 95 Cb -0.16 1.16 -0.03 0.00 -2.05 0.00 0.00 46.19 45.11 1smo s LEU 95 CO 0.60 -0.49 0.09 -0.22 -0.55 0.00 0.00 176.35 175.78 1smo s LEU 96 N -1.60 3.57 -0.06 1.48 2.96 -0.12 -0.71 118.68 124.20 1smo s LEU 96 Ca -0.11 -0.15 -0.17 0.00 -0.22 0.00 0.00 54.13 53.48 1smo s LEU 96 Cb -0.04 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1smo s LEU 96 CO 0.01 -0.02 0.46 -0.60 -1.32 0.00 0.00 176.35 174.88 1smo s ARG 97 N 1.55 4.20 -0.12 1.98 3.52 0.08 -0.56 118.95 129.61 1smo s ARG 97 Ca 0.06 0.46 0.02 0.00 -0.13 0.00 0.00 55.73 56.14 1smo s ARG 97 Cb -0.15 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1smo s ARG 97 CO 0.05 0.37 -0.17 0.08 -0.81 0.00 0.00 175.30 174.81 1smo s VAL 98 N -0.07 1.68 -0.09 7.11 1.01 0.09 -1.32 120.40 128.82 1smo s VAL 98 Ca 0.25 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1smo s VAL 98 Cb -0.16 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1smo s VAL 98 CO 0.12 0.48 -0.15 -0.13 0.00 0.00 0.00 175.10 175.41 1smo s ARG 99 N 0.94 2.93 -0.31 2.72 0.52 -0.14 -1.14 118.95 124.46 1smo s ARG 99 Ca -0.07 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 1smo s ARG 99 Cb -0.15 -2.47 0.07 0.00 0.52 0.00 0.00 34.95 32.92 1smo s ARG 99 CO -0.02 0.40 0.00 -1.64 0.02 0.00 0.00 175.30 174.06 1smo s MET 100 N -0.15 2.15 0.39 3.54 -1.94 0.08 -0.71 119.30 122.66 1smo s MET 100 Ca -0.01 -1.47 0.02 0.00 -1.71 0.00 0.00 55.69 52.52 1smo s MET 100 Cb -0.14 -3.15 -0.01 0.00 2.01 0.00 0.00 34.83 33.54 1smo s MET 100 CO 0.03 -0.72 0.58 0.14 -0.01 0.00 0.00 175.02 175.04 1smo s VAL 101 N 1.13 4.33 -1.24 -6.03 -7.23 0.11 -0.91 120.40 110.56 1smo s VAL 101 Ca -0.02 -0.64 -0.27 0.00 -1.81 0.00 0.00 61.98 59.24 1smo s VAL 101 Cb -0.20 -3.57 0.03 0.00 0.56 0.00 0.00 36.38 33.20 1smo s VAL 101 CO -0.04 -0.34 0.63 -3.20 -0.31 0.00 0.00 175.10 171.84 1smo n ASN 102 N -1.87 -3.69 -4.75 4.85 5.15 -1.10 -4.80 115.26 109.04 1smo n ASN 102 Ca -0.01 -1.23 -0.39 0.00 -0.60 0.00 0.00 54.58 52.36 1smo n ASN 102 Cb 0.57 -2.10 0.04 0.00 -0.53 0.00 0.00 39.78 37.76 1smo n ASN 102 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1smo s LEU 103 N -7.23 3.90 0.16 1.20 1.43 -0.37 -4.56 118.68 113.21 1smo s LEU 103 Ca 0.42 2.80 0.09 0.00 -1.03 0.00 0.00 54.13 56.40 1smo s LEU 103 Cb -0.21 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 1smo s LEU 103 CO 0.95 -1.51 -0.19 -1.10 0.23 0.00 0.00 176.35 174.73 1smo s GLN 104 N -2.83 1.28 0.37 1.70 -0.21 -1.26 -0.73 119.66 117.98 1smo s GLN 104 Ca 0.70 -1.39 0.08 0.00 0.02 0.00 0.00 55.36 54.76 1smo s GLN 104 Cb -0.41 -1.38 0.80 0.00 1.00 0.00 0.00 33.01 33.02 1smo s GLN 104 CO 0.49 0.29 1.95 -0.39 -2.12 0.00 0.00 175.29 175.51 1smo h VAL 105 N 3.34 0.98 0.00 1.09 -1.51 -1.92 -0.16 116.25 118.07 1smo h VAL 105 Ca -0.43 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 1smo h VAL 105 Cb 1.20 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1smo h VAL 105 CO 0.49 0.13 0.00 -0.62 -1.23 0.00 0.00 177.57 176.34 1smo n GLU 106 N -4.49 0.60 0.03 5.19 1.02 -1.26 -1.79 120.64 119.94 1smo n GLU 106 Ca 0.11 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 1smo n GLU 106 Cb 0.28 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.70 1smo n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1smo n ASP 107 N -1.10 0.22 -4.75 1.62 8.00 -0.07 -4.90 116.55 115.56 1smo n ASP 107 Ca 0.15 0.53 -0.41 0.00 0.71 0.00 0.00 54.79 55.77 1smo n ASP 107 Cb 0.12 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.62 1smo n ASP 107 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1smo s SER 108 N -3.40 6.43 0.00 -2.24 0.01 -0.74 -4.90 113.70 108.86 1smo s SER 108 Ca 0.11 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.28 1smo s SER 108 Cb 0.15 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1smo s SER 108 CO 0.48 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1smo n GLY 109 N 1.88 -1.47 3.74 3.44 0.00 -0.49 -5.01 105.19 107.28 1smo n GLY 109 Ca 0.07 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1smo n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smo s LEU 110 N 0.00 4.24 0.13 0.99 1.43 -1.26 -0.69 118.68 123.52 1smo s LEU 110 Ca 0.00 0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 1smo s LEU 110 Cb 0.00 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1smo s LEU 110 CO 0.00 0.17 -0.12 -0.31 0.23 0.00 0.00 176.35 176.33 1smo s TYR 111 N 0.26 1.31 -0.02 0.29 2.02 -0.16 -0.51 117.35 120.53 1smo s TYR 111 Ca 0.11 -0.65 -0.19 0.00 -0.37 0.00 0.00 57.07 55.98 1smo s TYR 111 Cb -0.12 -0.67 0.04 0.00 -0.40 0.00 0.00 41.96 40.80 1smo s TYR 111 CO 0.00 0.11 0.40 1.14 -1.57 0.00 0.00 175.55 175.64 1smo s GLN 112 N -3.15 0.77 0.11 -0.62 -2.07 -0.37 -1.14 119.66 113.19 1smo s GLN 112 Ca 0.12 -0.08 -0.23 0.00 -1.82 0.00 0.00 55.36 53.35 1smo s GLN 112 Cb -0.02 0.35 -0.07 0.00 -1.09 0.00 0.00 33.01 32.18 1smo s GLN 112 CO 0.02 -0.22 0.70 0.00 -1.32 0.00 0.00 175.29 174.47 1smo s VAL 114 N -0.95 0.67 -0.25 0.00 -7.23 -0.41 -2.39 120.40 109.85 1smo s VAL 114 Ca 0.34 -1.93 -0.19 0.00 -1.81 0.00 0.00 61.98 58.38 1smo s VAL 114 Cb -0.21 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1smo s VAL 114 CO 0.23 -0.87 0.58 -0.63 -0.31 0.00 0.00 175.10 174.10 1smo s ILE 115 N -3.64 5.03 -0.28 -0.62 -1.09 0.42 -1.30 121.20 119.72 1smo s ILE 115 Ca 0.12 1.04 -0.11 0.00 -2.23 0.00 0.00 60.65 59.47 1smo s ILE 115 Cb 0.05 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 1smo s ILE 115 CO -0.05 0.07 0.19 -0.47 -1.23 0.00 0.00 174.94 173.45 1smo s TYR 116 N 2.30 3.21 -0.33 3.97 5.04 0.20 -1.08 117.35 130.66 1smo s TYR 116 Ca 0.25 0.07 0.16 0.00 -2.44 0.00 0.00 57.07 55.11 1smo s TYR 116 Cb -0.16 -2.38 0.45 0.00 0.35 0.00 0.00 41.96 40.22 1smo s TYR 116 CO 0.09 -0.19 1.11 0.00 -1.34 0.00 0.00 175.55 175.23 1smo n GLN 117 N 5.06 1.27 -1.69 4.97 10.64 -1.26 -4.22 117.38 132.15 1smo n GLN 117 Ca -0.14 -2.82 -0.40 0.00 -1.83 0.00 0.00 57.00 51.81 1smo n GLN 117 Cb 0.52 -0.90 0.03 0.00 -0.86 0.00 0.00 30.24 29.02 1smo n GLN 117 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1smo n PRO 118 N -0.38 1.64 -0.21 2.61 -0.04 -1.26 -2.30 135.00 135.06 1smo n PRO 118 Ca 0.04 0.59 0.05 0.00 -0.04 0.00 0.00 63.50 64.15 1smo n PRO 118 Cb 0.83 -2.35 0.16 0.00 -0.04 0.00 0.00 33.50 32.10 1smo n PRO 118 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1smo n PRO 119 N -0.36 1.94 -2.40 0.54 -0.04 -1.26 -5.09 135.00 128.32 1smo n PRO 119 Ca 0.09 -1.29 -0.32 0.00 -0.04 0.00 0.00 63.50 61.94 1smo n PRO 119 Cb 0.42 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1smo n PRO 119 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1smo s LYS 120 N -1.56 3.88 0.42 0.54 1.02 -0.97 -5.04 119.74 118.02 1smo s LYS 120 Ca 0.24 0.85 -0.26 0.00 0.02 0.00 0.00 55.97 56.82 1smo s LYS 120 Cb 0.13 -2.17 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 1smo s LYS 120 CO 0.15 -0.27 1.33 -1.91 -0.92 0.00 0.00 175.35 173.73 1smo n GLU 121 N -1.69 2.07 -1.44 1.68 2.13 -1.26 -4.55 120.64 117.59 1smo n GLU 121 Ca 0.06 0.74 -0.36 0.00 0.66 0.00 0.00 57.16 58.25 1smo n GLU 121 Cb 0.54 -2.46 0.08 0.00 0.27 0.00 0.00 31.44 29.87 1smo n GLU 121 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1smo n PRO 122 N 0.04 0.63 -3.17 5.31 -0.02 -1.26 -4.79 135.00 131.74 1smo n PRO 122 Ca 0.06 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 1smo n PRO 122 Cb 0.40 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 1smo n PRO 122 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1smo s HIS 123 N -1.73 3.20 0.18 6.00 2.46 -0.24 -4.92 115.29 120.25 1smo s HIS 123 Ca 0.75 0.45 -0.31 0.00 0.47 0.00 0.00 55.06 56.43 1smo s HIS 123 Cb -0.36 -2.95 -0.09 0.00 -0.13 0.00 0.00 32.58 29.05 1smo s HIS 123 CO 0.48 -0.48 1.46 -1.64 -2.47 0.00 0.00 174.74 172.09 1smo s MET 124 N 2.52 4.27 -0.03 2.88 -1.94 -1.26 -0.43 119.30 125.30 1smo s MET 124 Ca 0.23 2.25 -0.25 0.00 -1.71 0.00 0.00 55.69 56.20 1smo s MET 124 Cb -0.15 -3.16 -0.20 0.00 2.01 0.00 0.00 34.83 33.33 1smo s MET 124 CO 0.12 -0.47 1.16 -0.07 -0.01 0.00 0.00 175.02 175.75 1smo h LEU 125 N 6.08 -0.06 0.00 -0.03 3.38 -1.83 -3.47 115.31 119.38 1smo h LEU 125 Ca -0.44 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1smo h LEU 125 Cb 1.21 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1smo h LEU 125 CO 0.84 0.47 0.00 0.33 0.09 0.00 0.00 178.44 180.17 1smo n PHE 126 N -4.87 -2.61 -4.18 1.13 7.35 -1.26 -5.04 117.46 107.98 1smo n PHE 126 Ca -0.09 0.48 -0.14 0.00 -0.76 0.00 0.00 57.45 56.93 1smo n PHE 126 Cb 0.27 1.44 -0.08 0.00 0.35 0.00 0.00 39.48 41.46 1smo n PHE 126 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 1smo s ASP 127 N -2.92 0.76 0.25 -2.13 1.47 -1.26 -5.16 116.67 107.68 1smo s ASP 127 Ca 0.00 -1.47 0.09 0.00 1.18 0.00 0.00 52.55 52.36 1smo s ASP 127 Cb 0.00 0.52 -0.04 0.00 -0.34 0.00 0.00 42.92 43.06 1smo s ASP 127 CO 0.00 -1.05 -0.02 -0.13 0.68 0.00 0.00 175.17 174.65 1smo s ARG 128 N -3.68 2.26 0.17 2.11 3.00 -1.26 -4.47 118.95 117.09 1smo s ARG 128 Ca 0.36 -1.39 0.07 0.00 0.00 0.00 0.00 55.73 54.77 1smo s ARG 128 Cb 0.03 -2.16 -0.04 0.00 0.00 0.00 0.00 34.95 32.77 1smo s ARG 128 CO 0.18 0.38 -0.14 0.96 0.00 0.00 0.00 175.30 176.68 1smo s ILE 129 N -2.21 1.57 -0.15 1.52 -5.25 -0.29 -2.45 121.20 113.93 1smo s ILE 129 Ca 0.30 -2.06 -0.03 0.00 -0.99 0.00 0.00 60.65 57.87 1smo s ILE 129 Cb -0.07 -1.89 -0.02 0.00 2.95 0.00 0.00 42.46 43.43 1smo s ILE 129 CO 0.19 -0.56 -0.06 -0.60 -1.79 0.00 0.00 174.94 172.13 1smo s ARG 130 N -3.38 3.60 -0.15 0.37 3.52 -0.19 -0.99 118.95 121.73 1smo s ARG 130 Ca 0.18 -0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 1smo s ARG 130 Cb -0.01 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 1smo s ARG 130 CO 0.05 0.22 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.54 1smo s LEU 131 N 0.41 3.16 -0.19 -0.88 2.96 0.13 -0.83 118.68 123.45 1smo s LEU 131 Ca -0.05 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1smo s LEU 131 Cb -0.15 -1.76 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1smo s LEU 131 CO 0.03 0.17 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.40 1smo s VAL 132 N 0.37 1.80 -0.18 1.68 1.01 -0.20 -1.40 120.40 123.47 1smo s VAL 132 Ca -0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1smo s VAL 132 Cb -0.14 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1smo s VAL 132 CO 0.03 0.33 -0.09 -0.69 0.00 0.00 0.00 175.10 174.68 1smo s VAL 133 N 1.36 3.09 0.28 2.92 1.01 -1.26 -0.86 120.40 126.95 1smo s VAL 133 Ca 0.01 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.48 1smo s VAL 133 Cb -0.15 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 1smo s VAL 133 CO -0.10 0.47 -0.12 0.42 0.00 0.00 0.00 175.10 175.77 1smo s THR 134 N 1.07 2.07 -2.24 3.92 -4.23 -0.82 -4.40 115.64 111.01 1smo s THR 134 Ca 0.00 -2.24 0.30 0.00 -1.18 0.00 0.00 61.69 58.57 1smo s THR 134 Cb -0.15 -2.39 0.74 0.00 1.34 0.00 0.00 72.50 72.04 1smo s THR 134 CO -0.02 -0.35 2.00 0.29 -0.54 0.00 0.00 174.62 176.00