#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smo s THR 22 N 0.00 2.48 0.05 0.00 2.01 -1.26 -5.12 115.64 113.81 1smo s THR 22 Ca 0.00 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 1smo s THR 22 Cb 0.00 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 1smo s THR 22 CO 0.00 0.53 0.05 -0.54 -0.69 0.00 0.00 174.62 173.97 1smo s LYS 23 N 0.80 0.64 0.48 4.92 -0.14 -1.26 -5.14 119.74 120.04 1smo s LYS 23 Ca -0.06 -1.00 -0.24 0.00 -1.36 0.00 0.00 55.97 53.31 1smo s LYS 23 Cb -0.15 0.24 -0.08 0.00 -1.68 0.00 0.00 37.83 36.16 1smo s LYS 23 CO -0.00 -0.15 1.36 1.28 -0.76 0.00 0.00 175.35 177.07 1smo n LEU 24 N 0.35 4.92 0.05 3.17 4.77 -1.26 -4.92 117.00 124.08 1smo n LEU 24 Ca -0.16 1.07 0.02 0.00 -0.03 0.00 0.00 56.01 56.90 1smo n LEU 24 Cb 0.60 -1.56 0.37 0.00 -2.33 0.00 0.00 43.42 40.50 1smo n LEU 24 CO 0.25 -0.46 0.97 0.74 -1.33 0.00 0.00 177.39 177.56 1smo h THR 25 N 1.93 1.16 -3.93 -5.08 2.02 -2.01 -3.44 112.91 103.57 1smo h THR 25 Ca -0.50 -0.62 -0.46 0.00 0.77 0.00 0.00 66.41 65.60 1smo h THR 25 Cb 1.29 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1smo h THR 25 CO 0.59 0.21 0.31 -1.83 0.37 0.00 0.00 175.52 175.17 1smo s GLU 26 N -5.00 4.36 -0.09 6.66 -1.05 -1.26 -2.37 118.70 119.95 1smo s GLU 26 Ca -0.07 1.15 0.04 0.00 -0.15 0.00 0.00 54.97 55.94 1smo s GLU 26 Cb 0.16 -2.51 -0.01 0.00 -0.44 0.00 0.00 34.13 31.33 1smo s GLU 26 CO 0.74 0.14 -0.21 -2.00 0.95 0.00 0.00 175.26 174.88 1smo s GLU 27 N -2.61 2.89 -0.05 -4.83 2.56 0.01 -4.90 118.70 111.77 1smo s GLU 27 Ca 0.55 -0.83 -0.20 0.00 0.00 0.00 0.00 54.97 54.49 1smo s GLU 27 Cb -0.14 -2.33 -0.05 0.00 2.00 0.00 0.00 34.13 33.62 1smo s GLU 27 CO 0.18 0.30 0.56 0.21 -0.56 0.00 0.00 175.26 175.96 1smo s LYS 28 N 0.06 4.33 -0.22 4.30 2.20 -1.26 -1.05 119.74 128.09 1smo s LYS 28 Ca -0.09 0.65 0.01 0.00 -0.36 0.00 0.00 55.97 56.18 1smo s LYS 28 Cb -0.15 -3.39 0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1smo s LYS 28 CO 0.06 0.26 -0.09 0.71 -0.36 0.00 0.00 175.35 175.92 1smo s TYR 29 N 0.23 2.61 -0.33 4.03 1.51 0.32 -4.94 117.35 120.77 1smo s TYR 29 Ca 0.30 -1.81 -0.11 0.00 -1.01 0.00 0.00 57.07 54.45 1smo s TYR 29 Cb -0.17 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 1smo s TYR 29 CO 0.15 -0.79 0.18 -1.21 -1.11 0.00 0.00 175.55 172.78 1smo s GLU 30 N 1.33 3.22 0.27 -0.62 2.02 -1.26 -1.15 118.70 122.50 1smo s GLU 30 Ca -0.04 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.16 1smo s GLU 30 Cb -0.18 -3.65 -0.05 0.00 0.10 0.00 0.00 34.13 30.34 1smo s GLU 30 CO -0.07 -0.50 0.08 -0.51 0.02 0.00 0.00 175.26 174.28 1smo s LEU 31 N 1.62 1.82 0.19 1.80 1.43 -0.53 -5.01 118.68 120.00 1smo s LEU 31 Ca 0.04 -1.37 0.08 0.00 -1.03 0.00 0.00 54.13 51.85 1smo s LEU 31 Cb -0.18 -0.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 1smo s LEU 31 CO 0.07 -0.68 0.01 -0.54 0.23 0.00 0.00 176.35 175.44 1smo s LYS 32 N -3.98 2.42 0.19 1.70 3.01 -1.26 -4.09 119.74 117.72 1smo s LYS 32 Ca 0.37 -1.14 -0.32 0.00 -1.01 0.00 0.00 55.97 53.86 1smo s LYS 32 Cb 0.08 -2.35 -0.15 0.00 -1.01 0.00 0.00 37.83 34.40 1smo s LYS 32 CO 0.14 0.44 1.20 0.39 0.51 0.00 0.00 175.35 178.03 1smo n GLU 33 N -0.29 1.32 0.00 1.68 1.02 -1.26 -1.93 120.64 121.18 1smo n GLU 33 Ca -0.09 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1smo n GLU 33 Cb 0.56 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 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 2.03 2.51 3.96 0.62 0.00 -0.20 -4.90 105.19 109.21 1smo n GLY 34 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.96 1.59 -0.13 1.61 -0.21 -0.81 -4.26 119.66 116.49 1smo s GLN 35 Ca 0.00 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.70 1smo s GLN 35 Cb 0.00 -2.18 -0.00 0.00 1.00 0.00 0.00 33.01 31.83 1smo s GLN 35 CO 0.00 -1.60 -0.19 0.99 -2.12 0.00 0.00 175.29 172.37 1smo s THR 36 N -3.34 2.49 -0.04 -0.19 2.01 -1.26 -1.44 115.64 113.87 1smo s THR 36 Ca 0.66 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 1smo s THR 36 Cb -0.07 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1smo s THR 36 CO 0.46 0.54 1.01 -0.22 -0.69 0.00 0.00 174.62 175.72 1smo s LEU 37 N 0.51 4.32 -0.24 4.42 2.96 -0.38 -4.94 118.68 125.33 1smo s LEU 37 Ca -0.12 1.63 -0.03 0.00 -0.22 0.00 0.00 54.13 55.39 1smo s LEU 37 Cb -0.16 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.04 1smo s LEU 37 CO 0.05 -0.36 0.08 -0.62 -1.32 0.00 0.00 176.35 174.18 1smo s ASP 38 N 1.07 3.19 0.15 3.68 -1.08 -1.26 -1.19 116.67 121.23 1smo s ASP 38 Ca 0.51 -1.07 0.06 0.00 -0.52 0.00 0.00 52.55 51.53 1smo s ASP 38 Cb -0.20 -0.52 -0.04 0.00 -1.46 0.00 0.00 42.92 40.70 1smo s ASP 38 CO 0.24 -0.37 -0.14 0.68 0.52 0.00 0.00 175.17 176.10 1smo s VAL 39 N 1.93 1.43 0.02 1.11 -7.23 -0.30 -5.01 120.40 112.35 1smo s VAL 39 Ca 0.04 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1smo s VAL 39 Cb -0.17 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 1smo s VAL 39 CO -0.19 -0.53 -0.21 -0.54 -0.31 0.00 0.00 175.10 173.31 1smo s LYS 40 N -3.17 2.06 -0.29 4.82 1.02 -1.26 -1.17 119.74 121.74 1smo s LYS 40 Ca 0.15 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.18 1smo s LYS 40 Cb -0.02 -2.13 0.09 0.00 -0.52 0.00 0.00 37.83 35.25 1smo s LYS 40 CO 0.04 0.55 0.04 0.00 -0.92 0.00 0.00 175.35 175.05 1smo s ASP 42 N 1.32 6.67 0.17 0.00 2.15 -1.26 -1.16 116.67 124.56 1smo s ASP 42 Ca 0.05 2.47 -0.05 0.00 0.43 0.00 0.00 52.55 55.45 1smo s ASP 42 Cb -0.18 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.78 1smo s ASP 42 CO -0.14 -0.58 0.19 -0.72 -0.17 0.00 0.00 175.17 173.75 1smo s TYR 43 N -1.28 0.72 -0.48 -5.34 -0.85 -0.69 -4.70 117.35 104.73 1smo s TYR 43 Ca 0.53 -1.06 -0.29 0.00 -0.52 0.00 0.00 57.07 55.74 1smo s TYR 43 Cb -0.34 -0.29 0.02 0.00 0.38 0.00 0.00 41.96 41.73 1smo s TYR 43 CO 0.44 -0.66 1.27 0.99 -1.52 0.00 0.00 175.55 176.08 1smo s THR 44 N -4.04 4.02 0.19 -3.49 2.01 -1.26 -4.64 115.64 108.44 1smo s THR 44 Ca 0.25 1.01 -0.11 0.00 0.31 0.00 0.00 61.69 63.15 1smo s THR 44 Cb 0.05 -4.47 0.11 0.00 0.01 0.00 0.00 72.50 68.20 1smo s THR 44 CO 0.04 -1.00 1.79 0.25 -0.69 0.00 0.00 174.62 175.01 1smo h LEU 45 N 11.89 0.41 -1.55 4.42 5.85 -1.86 -1.97 115.31 132.50 1smo h LEU 45 Ca -0.25 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1smo h LEU 45 Cb 1.08 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1smo h LEU 45 CO 1.13 0.27 -0.00 -0.33 -0.34 0.00 0.00 178.44 179.17 1smo h GLU 46 N 0.55 0.00 0.04 1.25 3.07 -1.97 -2.22 114.58 115.30 1smo h GLU 46 Ca 0.26 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.79 1smo h GLU 46 Cb 0.19 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 1smo h GLU 46 CO -0.19 0.00 -1.94 1.63 -1.40 0.00 0.00 179.01 177.12 1smo n LYS 47 N -3.10 0.68 0.00 2.33 5.02 -0.87 -4.79 118.16 117.43 1smo n LYS 47 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1smo n LYS 47 Cb 0.29 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1smo n LYS 47 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1smo n PHE 48 N -3.16 0.00 -0.19 2.13 3.72 -0.80 -4.85 117.46 114.31 1smo n PHE 48 Ca -0.26 -0.13 -0.02 0.00 -0.05 0.00 0.00 57.45 57.00 1smo n PHE 48 Cb 1.06 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 39.64 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 0.38 -0.00 4.37 0.00 -1.61 -1.67 119.26 120.73 1smo h ALA 49 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1smo h ALA 49 Cb 0.50 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1smo h ALA 49 CO 0.00 -0.43 -0.33 0.43 0.00 0.00 0.00 179.25 178.92 1smo n SER 50 N -5.40 0.60 -4.77 0.00 7.64 -1.26 -4.60 113.62 105.83 1smo n SER 50 Ca 0.06 -0.41 -0.40 0.00 1.01 0.00 0.00 58.87 59.13 1smo n SER 50 Cb 0.30 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1smo n SER 50 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1smo s SER 51 N -2.78 6.16 0.31 6.43 1.04 -0.63 -1.49 113.70 122.74 1smo s SER 51 Ca 0.18 2.76 -0.29 0.00 0.48 0.00 0.00 55.95 59.08 1smo s SER 51 Cb 0.18 -2.64 -0.10 0.00 0.10 0.00 0.00 66.02 63.56 1smo s SER 51 CO 0.60 -0.96 1.29 -1.58 0.98 0.00 0.00 173.24 173.57 1smo s GLN 52 N -2.30 4.39 0.14 4.02 0.74 -1.26 -4.21 119.66 121.18 1smo s GLN 52 Ca 0.58 2.16 0.05 0.00 0.05 0.00 0.00 55.36 58.20 1smo s GLN 52 Cb -0.40 -3.09 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 1smo s GLN 52 CO 0.52 -0.16 -0.11 0.15 -0.55 0.00 0.00 175.29 175.15 1smo s LYS 53 N -1.58 1.05 0.03 1.67 1.02 -1.26 -0.91 119.74 119.76 1smo s LYS 53 Ca 0.49 -1.41 -0.13 0.00 0.02 0.00 0.00 55.97 54.95 1smo s LYS 53 Cb -0.39 -0.65 0.02 0.00 -0.52 0.00 0.00 37.83 36.28 1smo s LYS 53 CO 0.50 0.09 0.27 0.00 -0.92 0.00 0.00 175.35 175.29 1smo s ALA 54 N -3.14 -0.61 -0.23 5.17 0.00 -0.26 -0.94 121.76 121.76 1smo s ALA 54 Ca 0.15 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 1smo s ALA 54 Cb 0.01 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1smo s ALA 54 CO 0.01 -0.35 0.05 -0.46 0.00 0.00 0.00 175.76 175.01 1smo s TRP 55 N -2.19 3.10 0.08 0.00 -0.11 -0.39 -1.21 118.94 118.22 1smo s TRP 55 Ca -0.08 -0.35 0.08 0.00 1.22 0.00 0.00 56.10 56.98 1smo s TRP 55 Cb -0.02 -2.18 -0.03 0.00 -1.50 0.00 0.00 33.47 29.73 1smo s TRP 55 CO -0.01 -0.25 -0.22 -0.65 -4.62 0.00 0.00 176.95 171.19 1smo s GLN 56 N 1.29 1.31 -0.09 5.86 -0.21 0.31 -0.78 119.66 127.36 1smo s GLN 56 Ca 0.05 -1.12 -0.05 0.00 0.02 0.00 0.00 55.36 54.26 1smo s GLN 56 Cb -0.15 -1.56 -0.04 0.00 1.00 0.00 0.00 33.01 32.27 1smo s GLN 56 CO 0.03 0.38 0.10 -1.50 -2.12 0.00 0.00 175.29 172.18 1smo s ILE 57 N -1.00 5.09 -0.40 1.08 2.07 -0.20 -1.03 121.20 126.81 1smo s ILE 57 Ca 0.08 -0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.27 1smo s ILE 57 Cb -0.10 -3.22 0.09 0.00 0.13 0.00 0.00 42.46 39.37 1smo s ILE 57 CO 0.04 0.57 0.19 -0.63 -1.91 0.00 0.00 174.94 173.20 1smo s ILE 58 N -1.02 3.50 0.07 2.00 1.01 0.19 -1.40 121.20 125.55 1smo s ILE 58 Ca 0.16 -1.78 0.03 0.00 0.00 0.00 0.00 60.65 59.06 1smo s ILE 58 Cb -0.12 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1smo s ILE 58 CO 0.05 -0.56 0.05 -0.13 0.00 0.00 0.00 174.94 174.35 1smo s ARG 59 N 1.24 2.79 0.13 2.79 0.52 -1.26 -4.39 118.95 120.76 1smo s ARG 59 Ca 0.05 -0.71 -0.31 0.00 -0.52 0.00 0.00 55.73 54.23 1smo s ARG 59 Cb -0.23 -2.68 -0.09 0.00 0.52 0.00 0.00 34.95 32.48 1smo s ARG 59 CO -0.02 0.57 1.48 -0.51 0.02 0.00 0.00 175.30 176.83 1smo s ASP 60 N -2.26 6.71 0.00 0.23 -0.00 -1.26 -2.40 116.67 117.69 1smo s ASP 60 Ca 0.27 2.45 0.00 0.00 -0.00 0.00 0.00 52.55 55.27 1smo s ASP 60 Cb -0.12 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.21 1smo s ASP 60 CO 0.20 -0.74 0.00 0.61 -0.00 0.00 0.00 175.17 175.24 1smo n GLY 61 N 3.63 0.56 3.35 0.21 0.00 -1.26 -5.02 105.19 106.66 1smo n GLY 61 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1smo n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1smo s GLU 62 N -0.25 1.34 0.52 1.61 2.02 -1.01 -5.13 118.70 117.80 1smo s GLU 62 Ca 0.00 -1.51 -0.21 0.00 0.02 0.00 0.00 54.97 53.28 1smo s GLU 62 Cb 0.00 -1.33 -0.06 0.00 0.10 0.00 0.00 34.13 32.84 1smo s GLU 62 CO 0.00 0.25 1.17 -1.64 0.02 0.00 0.00 175.26 175.07 1smo s MET 63 N -3.13 3.43 0.36 1.61 -1.94 -1.26 -4.61 119.30 113.75 1smo s MET 63 Ca 0.19 1.76 -0.26 0.00 -1.71 0.00 0.00 55.69 55.68 1smo s MET 63 Cb -0.04 -2.16 -0.12 0.00 2.01 0.00 0.00 34.83 34.51 1smo s MET 63 CO 0.08 -0.82 0.93 -2.30 -0.01 0.00 0.00 175.02 172.89 1smo n PRO 64 N -1.02 1.20 -4.05 2.03 -0.02 -1.26 -4.73 135.00 127.14 1smo n PRO 64 Ca 0.10 0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 61.69 1smo n PRO 64 Cb 0.49 -1.85 -0.16 0.00 -0.02 0.00 0.00 33.50 31.96 1smo n PRO 64 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1smo s LYS 65 N -1.73 2.41 0.04 -0.52 2.20 -0.49 -4.94 119.74 116.70 1smo s LYS 65 Ca 0.61 -0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 55.01 1smo s LYS 65 Cb -0.63 -2.52 -0.08 0.00 -1.51 0.00 0.00 37.83 33.09 1smo s LYS 65 CO 0.58 -0.37 1.69 0.99 -0.36 0.00 0.00 175.35 177.89 1smo s THR 66 N 1.31 3.15 -0.16 3.43 2.01 -1.26 -1.03 115.64 123.09 1smo s THR 66 Ca -0.00 0.48 0.18 0.00 0.31 0.00 0.00 61.69 62.66 1smo s THR 66 Cb -0.16 -3.31 -0.26 0.00 0.01 0.00 0.00 72.50 68.79 1smo s THR 66 CO -0.09 -0.02 0.23 0.18 -0.69 0.00 0.00 174.62 174.23 1smo n LEU 67 N 6.15 0.12 -3.67 4.42 4.77 0.04 -4.97 117.00 123.87 1smo n LEU 67 Ca 0.17 0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 56.06 1smo n LEU 67 Cb 0.41 0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.79 1smo n LEU 67 CO 0.63 0.39 0.22 0.00 -1.33 0.00 0.00 177.39 177.30 1smo s ALA 68 N -2.68 -1.28 0.06 -1.18 0.00 -1.19 -4.95 121.76 110.53 1smo s ALA 68 Ca -0.09 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1smo s ALA 68 Cb 0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1smo s ALA 68 CO 0.84 -0.28 -0.05 0.00 0.00 0.00 0.00 175.76 176.27 1smo s THR 70 N -3.09 1.90 1.08 0.00 -4.23 -0.11 -4.97 115.64 106.22 1smo s THR 70 Ca 0.03 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.39 1smo s THR 70 Cb 0.02 -2.38 0.23 0.00 1.34 0.00 0.00 72.50 71.71 1smo s THR 70 CO -0.05 0.00 1.11 -1.61 -0.54 0.00 0.00 174.62 173.52 1smo s GLU 71 N -4.93 -0.24 -0.26 3.99 2.02 -1.26 -4.70 118.70 113.31 1smo s GLU 71 Ca 0.67 0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.90 1smo s GLU 71 Cb -0.18 -1.68 0.07 0.00 0.10 0.00 0.00 34.13 32.43 1smo s GLU 71 CO 0.59 -3.12 -0.01 0.50 0.02 0.00 0.00 175.26 173.23 1smo s ARG 72 N -5.18 1.43 0.72 1.61 3.52 -1.26 -2.34 118.95 117.45 1smo s ARG 72 Ca 0.68 -1.10 -0.11 0.00 -0.13 0.00 0.00 55.73 55.07 1smo s ARG 72 Cb -0.15 -2.57 0.02 0.00 -1.56 0.00 0.00 34.95 30.70 1smo s ARG 72 CO 0.57 -0.70 1.07 -1.25 -0.81 0.00 0.00 175.30 174.17 1smo s PRO 73 N 1.38 2.74 0.07 5.12 0.04 -1.26 -5.08 135.00 138.00 1smo s PRO 73 Ca -0.01 0.86 -0.31 0.00 0.04 0.00 0.00 61.00 61.58 1smo s PRO 73 Cb -0.19 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 1smo s PRO 73 CO -0.09 -1.22 1.34 0.45 0.04 0.00 0.00 177.00 177.52 1smo s SER 74 N -3.85 6.91 0.27 6.66 0.15 -0.56 -4.97 113.70 118.31 1smo s SER 74 Ca 0.59 2.18 -0.23 0.00 0.70 0.00 0.00 55.95 59.19 1smo s SER 74 Cb -0.14 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.50 1smo s SER 74 CO 0.55 -0.62 0.82 -0.54 1.20 0.00 0.00 173.24 174.66 1smo s LYS 75 N 1.40 4.41 -0.13 5.44 -0.14 -1.26 -4.68 119.74 124.77 1smo s LYS 75 Ca 0.63 1.08 -0.29 0.00 -1.36 0.00 0.00 55.97 56.03 1smo s LYS 75 Cb -0.33 -2.85 -0.06 0.00 -1.68 0.00 0.00 37.83 32.91 1smo s LYS 75 CO 0.29 0.35 2.06 1.21 -0.76 0.00 0.00 175.35 178.50 1smo s ASN 76 N -1.63 5.90 0.00 2.83 3.04 -1.26 -4.24 114.94 119.58 1smo s ASN 76 Ca 0.46 2.12 0.00 0.00 0.04 0.00 0.00 52.86 55.49 1smo s ASN 76 Cb -0.18 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.01 1smo s ASN 76 CO 0.22 -1.57 0.00 -1.20 -3.04 0.00 0.00 177.10 171.51 1smo n SER 77 N 9.89 0.00 -4.66 -4.21 7.64 0.71 -4.95 113.62 118.04 1smo n SER 77 Ca 0.25 0.00 -0.54 0.00 1.01 0.00 0.00 58.87 59.59 1smo n SER 77 Cb 0.44 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 1smo n SER 77 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1smo n HIS 78 N 0.00 2.05 -1.95 1.43 8.25 -1.26 -4.47 115.22 119.28 1smo n HIS 78 Ca 0.00 0.35 -0.41 0.00 -0.26 0.00 0.00 57.72 57.40 1smo n HIS 78 Cb 0.00 -2.53 -0.02 0.00 1.12 0.00 0.00 29.99 28.57 1smo n HIS 78 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1smo s PRO 79 N 4.16 4.23 -0.21 -0.41 0.02 -1.26 -4.70 135.00 136.83 1smo s PRO 79 Ca 0.99 2.38 -0.08 0.00 0.02 0.00 0.00 61.00 64.32 1smo s PRO 79 Cb -0.94 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 30.47 1smo s PRO 79 CO 0.60 -0.44 0.07 0.08 -0.33 0.00 0.00 177.00 176.98 1smo s VAL 80 N -0.37 4.69 -0.15 3.83 1.01 -0.11 -4.95 120.40 124.36 1smo s VAL 80 Ca 0.57 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1smo s VAL 80 Cb -0.43 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1smo s VAL 80 CO 0.49 0.41 -0.21 -1.10 0.00 0.00 0.00 175.10 174.69 1smo s GLN 81 N 0.82 3.05 -0.19 2.72 -0.21 -1.26 -0.77 119.66 123.81 1smo s GLN 81 Ca 0.04 -0.83 -0.01 0.00 0.02 0.00 0.00 55.36 54.58 1smo s GLN 81 Cb -0.13 -2.48 0.05 0.00 1.00 0.00 0.00 33.01 31.44 1smo s GLN 81 CO 0.02 -0.03 -0.04 0.08 -2.12 0.00 0.00 175.29 173.20 1smo s VAL 82 N 0.88 1.13 0.00 1.09 1.01 -0.71 -5.00 120.40 118.80 1smo s VAL 82 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1smo s VAL 82 Cb -0.15 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1smo s VAL 82 CO -0.03 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1smo n GLY 83 N 4.84 3.58 1.06 4.51 0.00 -1.26 -1.18 105.19 116.75 1smo n GLY 83 Ca -0.11 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 2.33 -3.77 1.61 1.74 -1.26 -4.91 116.66 126.41 1smo n ARG 84 Ca 0.00 -2.05 -0.36 0.00 -0.77 0.00 0.00 57.85 54.67 1smo n ARG 84 Cb 0.00 -1.45 -0.07 0.00 -1.02 0.00 0.00 32.46 29.92 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 -1.25 5.42 -0.14 0.55 1.01 -0.32 -1.38 121.20 125.09 1smo s ILE 85 Ca 0.38 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.31 1smo s ILE 85 Cb 0.20 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 39.22 1smo s ILE 85 CO 0.26 0.53 -0.12 -0.63 0.00 0.00 0.00 174.94 174.98 1smo s ILE 86 N -0.37 1.40 -0.13 2.92 1.01 -0.04 -1.74 121.20 124.26 1smo s ILE 86 Ca 0.13 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1smo s ILE 86 Cb -0.12 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1smo s ILE 86 CO 0.02 0.40 0.02 -0.76 0.00 0.00 0.00 174.94 174.63 1smo s LEU 87 N 1.55 3.64 -0.04 2.97 1.02 0.05 -1.07 118.68 126.79 1smo s LEU 87 Ca 0.04 0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.30 1smo s LEU 87 Cb -0.13 -1.87 0.02 0.00 0.02 0.00 0.00 46.19 44.23 1smo s LEU 87 CO -0.10 0.28 -0.03 -1.61 0.02 0.00 0.00 176.35 174.91 1smo s GLU 88 N -0.31 0.70 -0.41 1.70 2.02 -0.46 -0.93 118.70 121.01 1smo s GLU 88 Ca 0.07 -0.06 -0.07 0.00 0.02 0.00 0.00 54.97 54.94 1smo s GLU 88 Cb -0.12 -0.76 0.09 0.00 0.10 0.00 0.00 34.13 33.43 1smo s GLU 88 CO 0.02 -0.10 0.22 0.34 0.02 0.00 0.00 175.26 175.76 1smo s ASP 89 N 0.97 5.46 -0.42 -0.19 2.15 -1.26 -0.53 116.67 122.84 1smo s ASP 89 Ca -0.10 -1.65 -0.23 0.00 0.43 0.00 0.00 52.55 51.00 1smo s ASP 89 Cb -0.14 -1.92 0.02 0.00 -0.30 0.00 0.00 42.92 40.58 1smo s ASP 89 CO -0.00 -0.52 0.76 -0.31 -0.17 0.00 0.00 175.17 174.93 1smo s TYR 90 N 1.33 3.04 -2.37 -5.34 4.12 0.03 -0.21 117.35 117.95 1smo s TYR 90 Ca 0.04 0.27 0.27 0.00 0.02 0.00 0.00 57.07 57.66 1smo s TYR 90 Cb -0.23 -3.53 1.10 0.00 -1.52 0.00 0.00 41.96 37.77 1smo s TYR 90 CO -0.00 -0.89 1.76 0.72 0.02 0.00 0.00 175.55 177.16 1smo n HIS 91 N 6.56 0.05 -0.12 2.71 8.25 -1.26 -1.50 115.22 129.90 1smo n HIS 91 Ca 0.02 -0.02 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1smo n HIS 91 Cb 0.48 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 1smo n HIS 91 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1smo h ASP 92 N 1.93 0.80 0.00 0.41 2.03 -1.97 -3.39 116.42 116.22 1smo h ASP 92 Ca 0.00 -0.41 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 1smo h ASP 92 Cb 0.41 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1smo h ASP 92 CO 0.00 1.03 0.00 1.41 -1.03 0.00 0.00 179.24 180.65 1smo n HIS 93 N -4.28 0.00 -1.67 4.15 8.25 -1.25 -5.07 115.22 115.36 1smo n HIS 93 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1smo n HIS 93 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 0.62 -0.53 3.03 -1.41 0.00 -0.56 -4.63 105.19 101.71 1smo n GLY 94 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.87 0.63 -0.33 0.99 0.05 -0.93 -1.70 118.68 115.52 1smo s LEU 95 Ca 0.01 0.45 -0.13 0.00 0.05 0.00 0.00 54.13 54.51 1smo s LEU 95 Cb -0.00 0.65 -0.02 0.00 -2.05 0.00 0.00 46.19 44.76 1smo s LEU 95 CO 0.09 -0.14 0.26 -0.22 -0.55 0.00 0.00 176.35 175.79 1smo s LEU 96 N 1.02 4.38 -0.15 1.48 2.96 -0.31 -0.79 118.68 127.28 1smo s LEU 96 Ca -0.07 -0.27 -0.13 0.00 -0.22 0.00 0.00 54.13 53.44 1smo s LEU 96 Cb -0.09 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 1smo s LEU 96 CO -0.06 -0.22 0.27 -0.60 -1.32 0.00 0.00 176.35 174.42 1smo s ARG 97 N 1.81 4.13 -0.09 1.98 3.52 0.31 -0.47 118.95 130.14 1smo s ARG 97 Ca 0.08 0.06 0.03 0.00 -0.13 0.00 0.00 55.73 55.77 1smo s ARG 97 Cb -0.17 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1smo s ARG 97 CO 0.11 0.34 -0.19 0.08 -0.81 0.00 0.00 175.30 174.82 1smo s VAL 98 N 0.16 1.72 0.01 7.11 1.01 -0.31 -1.36 120.40 128.74 1smo s VAL 98 Ca 0.16 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1smo s VAL 98 Cb -0.13 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1smo s VAL 98 CO 0.04 0.48 -0.21 -0.13 0.00 0.00 0.00 175.10 175.29 1smo s ARG 99 N 0.51 2.12 -0.25 2.72 0.52 -0.24 -1.16 118.95 123.18 1smo s ARG 99 Ca -0.16 -0.93 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 1smo s ARG 99 Cb -0.17 -2.15 0.06 0.00 0.52 0.00 0.00 34.95 33.21 1smo s ARG 99 CO 0.06 0.56 -0.10 -1.64 0.02 0.00 0.00 175.30 174.20 1smo s MET 100 N -1.04 2.15 0.46 3.54 -1.94 -0.33 -0.86 119.30 121.28 1smo s MET 100 Ca 0.12 -1.25 -0.03 0.00 -1.71 0.00 0.00 55.69 52.82 1smo s MET 100 Cb -0.10 -2.81 -0.02 0.00 2.01 0.00 0.00 34.83 33.90 1smo s MET 100 CO 0.02 -0.56 0.72 0.14 -0.01 0.00 0.00 175.02 175.33 1smo s VAL 101 N 1.17 4.55 -1.21 -6.03 -7.23 -0.48 -1.25 120.40 109.93 1smo s VAL 101 Ca -0.08 -0.15 -0.20 0.00 -1.81 0.00 0.00 61.98 59.74 1smo s VAL 101 Cb -0.19 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.04 1smo s VAL 101 CO -0.06 -0.60 0.70 -3.20 -0.31 0.00 0.00 175.10 171.62 1smo n ASN 102 N -2.16 -4.14 -4.76 4.85 5.15 -1.15 -4.83 115.26 108.23 1smo n ASN 102 Ca 0.00 -1.08 -0.39 0.00 -0.60 0.00 0.00 54.58 52.50 1smo n ASN 102 Cb 0.56 -2.92 0.02 0.00 -0.53 0.00 0.00 39.78 36.91 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 -6.79 4.08 0.23 1.20 1.43 -0.52 -4.59 118.68 113.73 1smo s LEU 103 Ca 0.40 2.86 0.11 0.00 -1.03 0.00 0.00 54.13 56.47 1smo s LEU 103 Cb -0.16 -3.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 1smo s LEU 103 CO 0.89 -1.21 -0.18 -1.10 0.23 0.00 0.00 176.35 174.98 1smo s GLN 104 N -2.51 1.73 0.33 1.70 -0.21 -1.26 -1.04 119.66 118.40 1smo s GLN 104 Ca 0.62 -1.58 0.04 0.00 0.02 0.00 0.00 55.36 54.46 1smo s GLN 104 Cb -0.42 -1.89 0.66 0.00 1.00 0.00 0.00 33.01 32.36 1smo s GLN 104 CO 0.54 0.37 1.90 0.28 -2.12 0.00 0.00 175.29 176.27 1smo h VAL 105 N 2.63 0.98 0.00 1.09 2.07 -1.96 -1.73 116.25 119.32 1smo h VAL 105 Ca -0.44 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1smo h VAL 105 Cb 1.23 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1smo h VAL 105 CO 0.55 0.16 0.00 -0.62 0.02 0.00 0.00 177.57 177.68 1smo n GLU 106 N -4.52 0.00 0.14 1.57 1.02 -1.26 -1.88 120.64 115.71 1smo n GLU 106 Ca 0.14 0.27 0.13 0.00 -0.02 0.00 0.00 57.16 57.68 1smo n GLU 106 Cb 0.29 -1.50 0.45 0.00 -0.02 0.00 0.00 31.44 30.66 1smo n GLU 106 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1smo h ASP 107 N 0.00 0.00 -2.92 1.62 3.32 -1.70 -3.46 116.42 113.27 1smo h ASP 107 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1smo h ASP 107 Cb 0.23 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.88 1smo h ASP 107 CO 0.00 0.00 0.52 -1.20 -1.72 0.00 0.00 179.24 176.84 1smo n SER 108 N -2.38 2.61 0.00 6.45 7.64 -0.79 -4.87 113.62 122.28 1smo n SER 108 Ca 0.04 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1smo n SER 108 Cb 0.35 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1smo n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1smo n GLY 109 N 1.47 -1.24 3.36 0.23 0.00 -0.59 -5.01 105.19 103.40 1smo n GLY 109 Ca 0.08 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 1smo n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1smo s LEU 110 N 0.00 2.75 0.15 0.99 2.96 -1.26 -0.83 118.68 123.44 1smo s LEU 110 Ca 0.00 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1smo s LEU 110 Cb 0.00 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1smo s LEU 110 CO 0.00 0.13 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.72 1smo s TYR 111 N 0.55 1.45 -0.01 5.38 2.02 0.04 -0.64 117.35 126.15 1smo s TYR 111 Ca -0.07 -0.62 -0.11 0.00 -0.37 0.00 0.00 57.07 55.90 1smo s TYR 111 Cb -0.15 -0.73 0.01 0.00 -0.40 0.00 0.00 41.96 40.69 1smo s TYR 111 CO 0.03 0.19 0.22 1.14 -1.57 0.00 0.00 175.55 175.56 1smo s GLN 112 N -3.24 0.56 -0.04 -0.62 -2.07 -0.20 -1.03 119.66 113.02 1smo s GLN 112 Ca 0.15 -0.29 -0.19 0.00 -1.82 0.00 0.00 55.36 53.21 1smo s GLN 112 Cb -0.02 0.24 -0.05 0.00 -1.09 0.00 0.00 33.01 32.09 1smo s GLN 112 CO 0.03 -0.14 0.54 0.00 -1.32 0.00 0.00 175.29 174.40 1smo s VAL 114 N -0.05 1.12 -0.19 0.00 -7.23 -0.35 -1.17 120.40 112.53 1smo s VAL 114 Ca 0.29 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1smo s VAL 114 Cb -0.17 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1smo s VAL 114 CO 0.15 -0.55 -0.03 -0.63 -0.31 0.00 0.00 175.10 173.72 1smo s ILE 115 N -2.54 3.70 0.27 -0.62 1.01 0.07 -1.10 121.20 121.99 1smo s ILE 115 Ca 0.09 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 1smo s ILE 115 Cb -0.02 -2.66 -0.09 0.00 0.01 0.00 0.00 42.46 39.70 1smo s ILE 115 CO 0.01 0.44 1.13 -0.31 0.00 0.00 0.00 174.94 176.22 1smo s TYR 116 N 0.98 3.51 -0.40 3.97 2.02 -0.08 -1.11 117.35 126.23 1smo s TYR 116 Ca 0.01 1.63 0.10 0.00 -0.37 0.00 0.00 57.07 58.44 1smo s TYR 116 Cb -0.15 -3.34 0.36 0.00 -0.40 0.00 0.00 41.96 38.43 1smo s TYR 116 CO 0.01 -0.76 0.98 0.00 -1.57 0.00 0.00 175.55 174.21 1smo n GLN 117 N 1.40 1.03 -1.82 -0.62 10.64 -1.26 -4.53 117.38 122.23 1smo n GLN 117 Ca -0.00 -2.63 -0.39 0.00 -1.83 0.00 0.00 57.00 52.16 1smo n GLN 117 Cb 0.45 -1.21 0.03 0.00 -0.86 0.00 0.00 30.24 28.65 1smo n GLN 117 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1smo s PRO 118 N -1.17 3.30 0.00 2.61 0.04 -1.26 -1.43 135.00 137.09 1smo s PRO 118 Ca 0.30 2.24 0.17 0.00 0.04 0.00 0.00 61.00 63.74 1smo s PRO 118 Cb 0.34 -2.35 0.73 0.00 0.04 0.00 0.00 34.50 33.27 1smo s PRO 118 CO -0.06 -1.07 1.51 -0.35 0.04 0.00 0.00 177.00 177.08 1smo n PRO 119 N -0.82 1.45 -1.13 0.56 -0.04 -1.26 -5.09 135.00 128.67 1smo n PRO 119 Ca 0.09 -0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 62.57 1smo n PRO 119 Cb 0.45 -1.31 0.14 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.84 1.19 0.58 0.54 1.02 -0.51 -5.01 119.74 115.70 1smo s LYS 120 Ca 0.27 0.91 -0.19 0.00 0.02 0.00 0.00 55.97 56.98 1smo s LYS 120 Cb 0.14 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.61 1smo s LYS 120 CO 0.21 -2.31 1.19 -1.21 -0.92 0.00 0.00 175.35 172.31 1smo s GLU 121 N -4.88 3.08 0.48 1.68 0.41 -1.26 -4.55 118.70 113.66 1smo s GLU 121 Ca 0.64 1.79 -0.23 0.00 -0.41 0.00 0.00 54.97 56.75 1smo s GLU 121 Cb -0.19 -1.96 -0.08 0.00 -1.78 0.00 0.00 34.13 30.12 1smo s GLU 121 CO 0.57 -1.11 1.11 -2.30 -0.49 0.00 0.00 175.26 173.05 1smo n PRO 122 N -1.48 1.44 -3.36 0.39 -0.02 -1.26 -4.67 135.00 126.04 1smo n PRO 122 Ca 0.13 0.52 -0.39 0.00 -2.02 0.00 0.00 63.50 61.74 1smo n PRO 122 Cb 0.50 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.32 3.24 0.09 6.00 2.46 -0.27 -4.88 115.29 120.62 1smo s HIS 123 Ca 0.67 0.39 -0.30 0.00 0.47 0.00 0.00 55.06 56.28 1smo s HIS 123 Cb -0.49 -2.63 -0.06 0.00 -0.13 0.00 0.00 32.58 29.27 1smo s HIS 123 CO 0.54 -0.28 1.08 1.41 -2.47 0.00 0.00 174.74 175.02 1smo s MET 124 N 2.13 4.55 0.09 2.88 1.75 -1.26 -0.75 119.30 128.69 1smo s MET 124 Ca 0.16 1.62 -0.15 0.00 -1.25 0.00 0.00 55.69 56.08 1smo s MET 124 Cb -0.16 -3.36 -0.06 0.00 2.84 0.00 0.00 34.83 34.09 1smo s MET 124 CO 0.10 -0.03 0.50 -0.51 -0.65 0.00 0.00 175.02 174.43 1smo s LEU 125 N 0.44 4.40 0.40 4.11 1.43 -0.32 -4.97 118.68 124.17 1smo s LEU 125 Ca 0.52 1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 54.49 1smo s LEU 125 Cb -0.26 -3.01 -0.10 0.00 0.03 0.00 0.00 46.19 42.85 1smo s LEU 125 CO 0.31 0.19 0.86 -0.36 0.23 0.00 0.00 176.35 177.58 1smo s PHE 126 N -1.31 3.36 0.22 0.29 0.40 -1.26 -4.30 117.98 115.38 1smo s PHE 126 Ca 0.32 1.42 0.01 0.00 -0.60 0.00 0.00 56.93 58.08 1smo s PHE 126 Cb -0.16 -2.70 -0.04 0.00 0.51 0.00 0.00 43.02 40.63 1smo s PHE 126 CO 0.18 -0.06 0.39 -0.51 0.70 0.00 0.00 175.22 175.91 1smo s ASP 127 N -2.37 6.35 0.77 1.36 1.01 -1.26 -4.31 116.67 118.23 1smo s ASP 127 Ca 0.58 0.29 -0.12 0.00 0.71 0.00 0.00 52.55 54.01 1smo s ASP 127 Cb -0.10 -1.96 0.06 0.00 1.01 0.00 0.00 42.92 41.93 1smo s ASP 127 CO 0.18 -0.07 1.13 -0.13 0.21 0.00 0.00 175.17 176.49 1smo s ARG 128 N -3.58 2.06 -0.23 8.23 0.52 -1.00 -4.77 118.95 120.17 1smo s ARG 128 Ca 0.37 1.43 0.01 0.00 -0.52 0.00 0.00 55.73 57.02 1smo s ARG 128 Cb -0.10 -1.86 0.04 0.00 0.52 0.00 0.00 34.95 33.55 1smo s ARG 128 CO 0.30 -1.83 -0.13 0.42 0.02 0.00 0.00 175.30 174.08 1smo s ILE 129 N -2.53 2.33 -0.57 1.52 -1.09 -0.20 -0.81 121.20 119.84 1smo s ILE 129 Ca 0.66 -1.24 -0.18 0.00 -2.23 0.00 0.00 60.65 57.66 1smo s ILE 129 Cb -0.22 -2.19 0.10 0.00 -1.58 0.00 0.00 42.46 38.58 1smo s ILE 129 CO 0.51 0.22 0.66 -0.60 -1.23 0.00 0.00 174.94 174.50 1smo s ARG 130 N 1.23 3.04 -0.17 2.79 6.06 -0.22 -0.78 118.95 130.89 1smo s ARG 130 Ca -0.02 -1.35 -0.14 0.00 -2.50 0.00 0.00 55.73 51.72 1smo s ARG 130 Cb -0.17 -4.26 -0.05 0.00 0.06 0.00 0.00 34.95 30.54 1smo s ARG 130 CO -0.08 -1.47 0.30 -1.17 -2.50 0.00 0.00 175.30 170.38 1smo s LEU 131 N 2.48 4.22 -0.22 -0.88 2.96 -0.01 -0.52 118.68 126.71 1smo s LEU 131 Ca 0.10 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1smo s LEU 131 Cb -0.25 -2.37 0.06 0.00 0.50 0.00 0.00 46.19 44.13 1smo s LEU 131 CO 0.06 0.07 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.44 1smo s VAL 132 N 0.65 1.24 -1.65 1.68 1.01 -0.30 -1.55 120.40 121.48 1smo s VAL 132 Ca 0.16 -1.00 0.13 0.00 0.00 0.00 0.00 61.98 61.27 1smo s VAL 132 Cb -0.13 -1.56 0.10 0.00 0.00 0.00 0.00 36.38 34.79 1smo s VAL 132 CO 0.04 -0.10 0.92 0.52 0.00 0.00 0.00 175.10 176.48