#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sed n SER 3 N 0.00 0.82 0.15 -2.24 3.41 -1.26 -3.17 113.62 111.33 1sed n SER 3 Ca 0.00 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1sed n SER 3 Cb 0.00 -0.01 0.21 0.00 -0.26 0.00 0.00 64.21 64.15 1sed n SER 3 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1sed h MET 4 N 1.21 0.00 -0.42 4.33 -1.53 -2.05 -2.08 114.93 114.39 1sed h MET 4 Ca 0.00 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.12 1sed h MET 4 Cb 0.33 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 1sed h MET 4 CO 0.00 0.56 -0.29 0.22 0.14 0.00 0.00 176.91 177.54 1sed h ASP 5 N 0.00 0.96 0.11 1.39 3.58 -1.98 -2.19 116.42 118.29 1sed h ASP 5 Ca -0.01 -0.39 -0.10 0.00 0.42 0.00 0.00 57.03 56.95 1sed h ASP 5 Cb 1.03 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1sed h ASP 5 CO 0.07 1.17 -0.33 0.45 -2.88 0.00 0.00 179.24 177.72 1sed h HIS 6 N 0.77 0.37 -0.40 0.28 3.86 -1.62 -0.37 115.15 118.04 1sed h HIS 6 Ca 0.09 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1sed h HIS 6 Cb 0.87 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.24 1sed h HIS 6 CO 0.05 0.62 -0.07 0.00 0.86 0.00 0.00 177.93 179.40 1sed h ARG 7 N 0.28 0.75 -0.55 2.45 3.08 -1.20 -2.26 114.38 116.93 1sed h ARG 7 Ca 0.03 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 1sed h ARG 7 Cb 0.73 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1sed h ARG 7 CO 0.06 0.87 0.00 0.82 -1.07 0.00 0.00 179.97 180.65 1sed h ILE 8 N 0.56 1.26 -0.74 2.04 2.04 -1.04 -1.91 117.51 119.71 1sed h ILE 8 Ca 0.10 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.83 1sed h ILE 8 Cb 0.58 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1sed h ILE 8 CO 0.03 0.39 0.26 -0.33 0.00 0.00 0.00 178.15 178.50 1sed h GLU 9 N 0.86 1.12 -0.37 2.37 5.08 -0.94 -0.17 114.58 122.53 1sed h GLU 9 Ca 0.16 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1sed h GLU 9 Cb 0.50 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1sed h GLU 9 CO 0.02 0.94 0.09 -0.09 -1.00 0.00 0.00 179.01 178.97 1sed h ARG 10 N 1.09 0.60 -0.94 2.33 2.43 -1.15 -0.50 114.38 118.24 1sed h ARG 10 Ca 0.24 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1sed h ARG 10 Cb 0.26 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1sed h ARG 10 CO -0.01 0.64 0.62 -0.07 -1.51 0.00 0.00 179.97 179.64 1sed h LEU 11 N 0.46 1.07 -0.77 3.80 3.38 -0.93 0.10 115.31 122.41 1sed h LEU 11 Ca 0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1sed h LEU 11 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1sed h LEU 11 CO 0.00 0.76 0.20 -0.33 0.09 0.00 0.00 178.44 179.17 1sed h GLU 12 N 1.26 1.13 -0.41 1.13 5.08 -0.73 -0.69 114.58 121.35 1sed h GLU 12 Ca 0.35 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1sed h GLU 12 Cb -0.12 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1sed h GLU 12 CO -0.08 0.97 0.09 -0.92 -1.00 0.00 0.00 179.01 178.06 1sed h TYR 13 N 1.08 0.70 -0.32 4.33 3.20 -0.12 -2.26 116.97 123.57 1sed h TYR 13 Ca 0.23 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1sed h TYR 13 Cb 0.33 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1sed h TYR 13 CO 0.03 0.67 -0.06 1.88 -1.64 0.00 0.00 178.16 179.04 1sed h TYR 14 N 0.52 0.54 -0.55 -3.82 0.05 -0.43 -1.28 116.97 112.01 1sed h TYR 14 Ca 0.13 -0.07 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 1sed h TYR 14 Cb 0.34 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 1sed h TYR 14 CO 0.02 0.57 -0.03 0.82 -1.05 0.00 0.00 178.16 178.49 1sed h ILE 15 N 0.49 1.27 -0.23 -2.88 1.08 -1.00 0.13 117.51 116.36 1sed h ILE 15 Ca 0.10 -1.16 -0.02 0.00 -0.39 0.00 0.00 64.86 63.39 1sed h ILE 15 Cb 0.41 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1sed h ILE 15 CO 0.02 0.41 0.07 1.56 -0.69 0.00 0.00 178.15 179.53 1sed h GLN 16 N 0.86 0.33 -0.00 2.37 4.20 -0.76 0.73 115.11 122.84 1sed h GLN 16 Ca 0.15 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1sed h GLN 16 Cb 0.58 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.30 1sed h GLN 16 CO 0.03 0.29 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.13 1sed h LEU 17 N 0.33 0.25 -0.99 1.46 3.38 -0.72 -3.26 115.31 115.75 1sed h LEU 17 Ca 0.08 -0.78 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 1sed h LEU 17 Cb 0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1sed h LEU 17 CO -0.01 0.99 0.29 -0.07 0.09 0.00 0.00 178.44 179.74 1sed h LEU 18 N -0.47 0.92 -1.85 1.67 3.38 -0.38 -1.82 115.31 116.76 1sed h LEU 18 Ca -0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1sed h LEU 18 Cb 1.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1sed h LEU 18 CO 0.06 0.81 -0.14 1.62 0.09 0.00 0.00 178.44 180.89 1sed h VAL 19 N 0.99 0.81 0.00 1.22 3.04 -0.97 0.47 116.25 121.81 1sed h VAL 19 Ca 0.23 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1sed h VAL 19 Cb 0.17 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1sed h VAL 19 CO -0.02 0.13 0.00 0.11 -1.01 0.00 0.00 177.57 176.78 1sed h LYS 20 N 0.00 0.00 -0.14 4.17 6.56 -1.36 -2.55 116.57 123.24 1sed h LYS 20 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1sed h LYS 20 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1sed h LYS 20 CO 0.02 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.66 1sed n THR 21 N -2.74 0.16 -2.29 -0.16 -2.24 0.15 -4.95 114.28 102.22 1sed n THR 21 Ca 0.01 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 1sed n THR 21 Cb 0.24 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 1sed n THR 21 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sed s VAL 22 N -1.84 3.34 -0.52 2.28 1.01 -0.96 -4.93 120.40 118.78 1sed s VAL 22 Ca 0.34 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 63.18 1sed s VAL 22 Cb 0.20 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1sed s VAL 22 CO 0.31 0.18 1.87 -0.62 0.00 0.00 0.00 175.10 176.84 1sed s ASP 23 N 0.15 5.41 0.00 3.32 -1.08 -1.26 -4.83 116.67 118.38 1sed s ASP 23 Ca 0.54 0.67 0.08 0.00 -0.52 0.00 0.00 52.55 53.33 1sed s ASP 23 Cb -0.35 -2.53 0.41 0.00 -1.46 0.00 0.00 42.92 38.99 1sed s ASP 23 CO 0.39 -2.21 1.16 0.23 0.52 0.00 0.00 175.17 175.26 1sed n MET 24 N 8.93 0.10 0.02 4.34 2.81 -1.26 -1.03 117.12 131.03 1sed n MET 24 Ca 0.22 0.23 0.12 0.00 -1.81 0.00 0.00 57.70 56.46 1sed n MET 24 Cb 0.51 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.67 1sed n MET 24 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1sed n ASP 25 N -1.32 0.61 -0.03 7.83 10.43 -1.26 -3.97 116.55 128.83 1sed n ASP 25 Ca 0.04 -0.24 -0.04 0.00 2.57 0.00 0.00 54.79 57.12 1sed n ASP 25 Cb 0.07 0.43 -0.03 0.00 1.84 0.00 0.00 41.12 43.43 1sed n ASP 25 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1sed n ARG 26 N -1.72 0.31 -2.58 -1.24 1.74 -0.20 -4.78 116.66 108.18 1sed n ARG 26 Ca 0.04 0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 57.00 1sed n ARG 26 Cb 0.38 -1.11 0.02 0.00 -1.02 0.00 0.00 32.46 30.73 1sed n ARG 26 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1sed n TYR 27 N -2.64 1.99 0.24 -1.55 4.01 -0.46 -4.35 117.16 114.40 1sed n TYR 27 Ca -0.10 -2.82 0.09 0.00 -0.16 0.00 0.00 57.90 54.91 1sed n TYR 27 Cb 0.61 -0.27 0.62 0.00 -0.31 0.00 0.00 39.34 39.99 1sed n TYR 27 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1sed h PRO 28 N 2.79 0.00 -0.10 -0.72 0.13 -1.76 -2.34 132.00 130.00 1sed h PRO 28 Ca 0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.07 1sed h PRO 28 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1sed h PRO 28 CO 0.60 0.16 -0.39 0.35 -0.23 0.00 0.00 178.00 178.49 1sed h PHE 29 N 0.00 0.59 -0.59 1.56 3.57 -1.91 -0.77 116.94 119.39 1sed h PHE 29 Ca -0.00 -0.25 -0.05 0.00 3.53 0.00 0.00 57.97 61.20 1sed h PHE 29 Cb 0.35 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1sed h PHE 29 CO 0.00 1.00 0.18 1.88 -2.23 0.00 0.00 178.31 179.14 1sed h TYR 30 N 0.01 0.91 -0.71 0.41 0.05 -1.90 -1.24 116.97 114.50 1sed h TYR 30 Ca -0.02 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 1sed h TYR 30 Cb 1.03 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 1sed h TYR 30 CO 0.12 0.74 0.30 0.00 -1.05 0.00 0.00 178.16 178.26 1sed h ALA 31 N 1.33 0.92 -0.42 3.88 0.00 -1.37 -2.51 119.26 121.09 1sed h ALA 31 Ca 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sed h ALA 31 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1sed h ALA 31 CO -0.01 0.52 0.25 1.25 0.00 0.00 0.00 179.25 181.27 1sed h LEU 32 N 1.00 0.51 -0.31 0.00 5.85 -0.44 0.12 115.31 122.04 1sed h LEU 32 Ca 0.24 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1sed h LEU 32 Cb 0.19 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1sed h LEU 32 CO -0.02 0.42 0.09 -0.07 -0.34 0.00 0.00 178.44 178.52 1sed h LEU 33 N 0.56 0.07 -0.22 2.25 3.38 -1.02 -0.11 115.31 120.22 1sed h LEU 33 Ca 0.15 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1sed h LEU 33 Cb 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1sed h LEU 33 CO -0.03 0.07 -0.02 0.40 0.09 0.00 0.00 178.44 178.95 1sed h ILE 34 N 0.21 1.27 -0.76 1.22 2.04 -1.24 -1.79 117.51 118.45 1sed h ILE 34 Ca 0.14 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1sed h ILE 34 Cb 0.13 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1sed h ILE 34 CO -0.16 0.30 0.46 -0.78 0.00 0.00 0.00 178.15 177.97 1sed h ASP 35 N 0.15 0.91 -0.01 1.72 3.58 -0.45 -1.60 116.42 120.71 1sed h ASP 35 Ca 0.06 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1sed h ASP 35 Cb 0.45 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1sed h ASP 35 CO 0.02 0.69 0.00 0.29 -2.88 0.00 0.00 179.24 177.36 1sed n LYS 36 N -4.39 1.42 -1.91 0.28 4.76 -0.08 -4.94 118.16 113.29 1sed n LYS 36 Ca 0.08 -0.60 -0.09 0.00 -2.87 0.00 0.00 58.31 54.82 1sed n LYS 36 Cb 0.06 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.75 1sed n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sed n GLY 37 N 1.11 0.31 3.77 0.72 0.00 -0.60 -5.01 105.19 105.49 1sed n GLY 37 Ca 0.21 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 1sed n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sed s LEU 38 N -2.52 4.17 0.84 0.99 1.02 -0.71 -5.03 118.68 117.44 1sed s LEU 38 Ca 0.00 2.26 -0.12 0.00 0.02 0.00 0.00 54.13 56.29 1sed s LEU 38 Cb 0.00 -4.08 0.12 0.00 0.02 0.00 0.00 46.19 42.25 1sed s LEU 38 CO 0.00 -0.64 1.19 -0.94 0.02 0.00 0.00 176.35 175.98 1sed s SER 39 N -1.27 4.11 0.13 2.29 1.04 -1.26 -4.80 113.70 113.94 1sed s SER 39 Ca 0.58 0.51 -0.18 0.00 0.48 0.00 0.00 55.95 57.33 1sed s SER 39 Cb -0.28 -0.88 -0.01 0.00 0.10 0.00 0.00 66.02 64.94 1sed s SER 39 CO 0.35 -2.12 1.76 0.50 0.98 0.00 0.00 173.24 174.71 1sed h LYS 40 N -1.14 0.23 -0.58 4.02 3.64 -1.99 0.84 116.57 121.60 1sed h LYS 40 Ca -0.45 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.98 1sed h LYS 40 Cb 1.29 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 1sed h LYS 40 CO 0.55 0.15 0.27 0.93 -2.27 0.00 0.00 179.45 179.08 1sed h GLU 41 N 0.24 0.49 -0.41 1.90 3.07 -1.99 0.11 114.58 117.99 1sed h GLU 41 Ca 0.11 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1sed h GLU 41 Cb 0.06 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1sed h GLU 41 CO -0.09 0.32 0.09 0.93 -1.40 0.00 0.00 179.01 178.86 1sed h GLU 42 N 0.50 0.66 -0.58 2.33 5.08 -1.81 -0.92 114.58 119.85 1sed h GLU 42 Ca 0.27 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1sed h GLU 42 Cb 0.23 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1sed h GLU 42 CO -0.22 0.69 0.36 0.78 -1.00 0.00 0.00 179.01 179.62 1sed h GLY 43 N 0.52 0.83 1.69 -3.84 0.00 -0.27 -1.95 103.07 100.06 1sed h GLY 43 Ca 0.13 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1sed h GLY 43 CO 0.00 0.33 -0.14 0.83 0.00 0.00 0.00 176.54 177.56 1sed h GLU 44 N 0.78 0.38 -0.24 4.80 5.08 -0.63 -2.44 114.58 122.30 1sed h GLU 44 Ca 0.21 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1sed h GLU 44 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1sed h GLU 44 CO -0.04 0.52 -0.19 0.00 -1.00 0.00 0.00 179.01 178.30 1sed h ALA 45 N 1.51 1.24 -0.31 3.43 0.00 -0.51 -1.17 119.26 123.46 1sed h ALA 45 Ca 0.07 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1sed h ALA 45 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1sed h ALA 45 CO 0.03 0.50 -0.03 0.28 0.00 0.00 0.00 179.25 180.02 1sed h VAL 46 N 0.38 1.27 -0.78 0.00 2.07 -0.91 -2.44 116.25 115.85 1sed h VAL 46 Ca 0.07 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1sed h VAL 46 Cb 0.55 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1sed h VAL 46 CO 0.04 0.33 0.37 0.24 0.02 0.00 0.00 177.57 178.56 1sed h MET 47 N 0.34 1.11 -0.70 1.57 2.07 -1.18 -1.88 114.93 116.26 1sed h MET 47 Ca 0.08 -0.16 -0.05 0.00 -2.07 0.00 0.00 59.70 57.51 1sed h MET 47 Cb 0.49 -0.20 -0.03 0.00 -1.87 0.00 0.00 31.60 29.99 1sed h MET 47 CO 0.02 0.86 0.26 0.00 1.07 0.00 0.00 176.91 179.12 1sed h ARG 48 N 1.11 1.05 -0.48 1.72 2.47 -1.11 0.37 114.38 119.51 1sed h ARG 48 Ca 0.27 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 1sed h ARG 48 Cb 0.12 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1sed h ARG 48 CO -0.03 0.87 0.21 0.82 0.56 0.00 0.00 179.97 182.40 1sed h ILE 49 N 1.03 1.20 -0.67 2.04 2.04 -0.97 -0.28 117.51 121.90 1sed h ILE 49 Ca 0.23 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1sed h ILE 49 Cb 0.23 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1sed h ILE 49 CO -0.02 0.22 0.19 0.00 0.00 0.00 0.00 178.15 178.55 1sed h ASP 51 N 0.98 -0.95 -0.83 0.00 3.32 0.17 -0.03 116.42 119.08 1sed h ASP 51 Ca 0.21 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1sed h ASP 51 Cb 0.33 0.32 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 1sed h ASP 51 CO -0.00 -0.49 0.46 -0.33 -1.72 0.00 0.00 179.24 177.16 1sed h GLU 52 N -0.73 1.16 -0.08 3.56 4.39 -0.92 0.38 114.58 122.34 1sed h GLU 52 Ca -0.02 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.41 1sed h GLU 52 Cb 0.66 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1sed h GLU 52 CO -0.06 0.85 -0.55 -0.07 -1.16 0.00 0.00 179.01 178.01 1sed h LEU 53 N 1.16 0.25 -0.42 1.33 3.38 -1.18 0.64 115.31 120.47 1sed h LEU 53 Ca 0.29 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1sed h LEU 53 Cb 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1sed h LEU 53 CO -0.05 0.76 -0.17 0.28 0.09 0.00 0.00 178.44 179.35 1sed h SER 54 N 0.18 0.88 -0.49 -0.43 0.02 -0.49 0.35 113.55 113.56 1sed h SER 54 Ca 0.00 -0.39 -0.09 0.00 -0.84 0.00 0.00 61.79 60.47 1sed h SER 54 Cb 1.03 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1sed h SER 54 CO 0.09 1.07 -0.01 -0.33 -1.14 0.00 0.00 176.83 176.51 1sed h GLU 55 N 0.68 0.93 -0.45 3.45 5.08 -0.72 -1.55 114.58 121.99 1sed h GLU 55 Ca 0.10 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1sed h GLU 55 Cb 0.73 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1sed h GLU 55 CO 0.06 0.92 -0.07 1.49 -1.00 0.00 0.00 179.01 180.40 1sed h GLU 56 N 0.85 0.80 -0.22 2.33 4.57 -0.66 -1.59 114.58 120.67 1sed h GLU 56 Ca 0.16 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1sed h GLU 56 Cb 0.52 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1sed h GLU 56 CO 0.03 0.85 0.09 1.25 -1.18 0.00 0.00 179.01 180.05 1sed h LEU 57 N 0.73 0.29 -0.89 1.64 5.85 -0.57 0.37 115.31 122.73 1sed h LEU 57 Ca 0.13 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1sed h LEU 57 Cb 0.55 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1sed h LEU 57 CO 0.03 0.37 0.39 0.00 -0.34 0.00 0.00 178.44 178.89 1sed h ALA 58 N 0.94 1.13 0.02 1.25 0.00 -1.11 -0.48 119.26 121.02 1sed h ALA 58 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sed h ALA 58 Cb 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sed h ALA 58 CO -0.01 0.65 -0.01 1.15 0.00 0.00 0.00 179.25 181.04 1sed h THR 59 N 1.18 1.10 -0.72 0.00 2.02 -1.07 -1.73 112.91 113.69 1sed h THR 59 Ca 0.28 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1sed h THR 59 Cb 0.12 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1sed h THR 59 CO -0.04 0.09 0.34 1.56 0.37 0.00 0.00 175.52 177.85 1sed h GLN 60 N -0.19 1.03 -0.84 6.66 4.20 -0.68 -1.58 115.11 123.71 1sed h GLN 60 Ca -0.00 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1sed h GLN 60 Cb 0.17 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1sed h GLN 60 CO 0.00 0.80 0.41 0.87 -0.67 0.00 0.00 178.83 180.25 1sed h LYS 61 N 1.02 1.20 0.00 1.46 1.57 -0.94 -0.65 116.57 120.23 1sed h LYS 61 Ca 0.25 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1sed h LYS 61 Cb 0.11 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1sed h LYS 61 CO -0.03 0.92 -0.24 0.00 -0.57 0.00 0.00 179.45 179.53 1sed h ALA 62 N 1.22 1.57 -0.01 3.86 0.00 -0.62 -1.78 119.26 123.50 1sed h ALA 62 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sed h ALA 62 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sed h ALA 62 CO -0.04 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.55 1sed n GLN 63 N -4.20 1.25 -0.31 0.00 6.02 -0.66 -4.90 117.38 114.58 1sed n GLN 63 Ca -0.02 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 56.60 1sed n GLN 63 Cb 0.30 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1sed n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sed n GLY 64 N 1.06 0.83 3.78 1.08 0.00 -0.67 -5.06 105.19 106.21 1sed n GLY 64 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1sed n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sed s PHE 65 N -2.03 3.32 0.00 1.61 0.08 -0.33 -4.95 117.98 115.68 1sed s PHE 65 Ca 0.00 1.66 0.00 0.00 0.12 0.00 0.00 56.93 58.71 1sed s PHE 65 Cb 0.00 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 1sed s PHE 65 CO 0.00 -0.58 0.30 1.33 -0.10 0.00 0.00 175.22 176.17 1sed n VAL 66 N 0.09 0.00 -4.58 -0.44 0.24 -1.26 -4.41 118.33 107.97 1sed n VAL 66 Ca 0.04 -0.34 -0.21 0.00 -2.04 0.00 0.00 64.34 61.79 1sed n VAL 66 Cb 0.49 1.28 -0.15 0.00 -1.47 0.00 0.00 33.84 33.99 1sed n VAL 66 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1sed s THR 67 N -0.09 1.02 -0.14 3.34 -4.23 -1.26 -5.05 115.64 109.23 1sed s THR 67 Ca 0.00 -0.56 0.24 0.00 -1.18 0.00 0.00 61.69 60.19 1sed s THR 67 Cb 0.00 -0.85 0.47 0.00 1.34 0.00 0.00 72.50 73.46 1sed s THR 67 CO 0.00 0.28 1.14 0.49 -0.54 0.00 0.00 174.62 176.00 1sed n PHE 68 N 2.75 0.68 -0.21 3.99 3.72 -1.26 -4.91 117.46 122.22 1sed n PHE 68 Ca -0.14 -1.36 0.14 0.00 -0.05 0.00 0.00 57.45 56.03 1sed n PHE 68 Cb 0.56 -0.20 0.44 0.00 -0.94 0.00 0.00 39.48 39.34 1sed n PHE 68 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1sed h ASP 69 N 1.80 0.52 -0.27 4.37 5.19 -1.96 -0.91 116.42 125.16 1sed h ASP 69 Ca -0.16 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1sed h ASP 69 Cb 1.56 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.99 1sed h ASP 69 CO 0.16 0.27 0.18 0.50 -3.12 0.00 0.00 179.24 177.22 1sed h LYS 70 N 0.55 0.31 -0.77 3.56 1.63 -2.01 -2.43 116.57 117.41 1sed h LYS 70 Ca 0.41 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1sed h LYS 70 Cb 0.78 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.30 1sed h LYS 70 CO -0.16 0.20 0.49 -0.07 -3.45 0.00 0.00 179.45 176.46 1sed h LEU 71 N 0.31 0.90 -0.41 5.20 3.38 -1.57 -1.35 115.31 121.77 1sed h LEU 71 Ca 0.10 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1sed h LEU 71 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1sed h LEU 71 CO -0.02 0.67 -0.14 0.25 0.09 0.00 0.00 178.44 179.29 1sed h LEU 72 N 1.05 0.84 -0.90 1.67 5.85 -1.57 -0.91 115.31 121.35 1sed h LEU 72 Ca 0.28 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1sed h LEU 72 Cb -0.08 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 1sed h LEU 72 CO -0.06 1.03 0.48 0.00 -0.34 0.00 0.00 178.44 179.56 1sed h ALA 73 N 0.84 1.15 -0.54 1.25 0.00 -1.41 0.88 119.26 121.43 1sed h ALA 73 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1sed h ALA 73 Cb 0.69 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1sed h ALA 73 CO 0.05 0.67 0.10 -0.07 0.00 0.00 0.00 179.25 180.00 1sed h LEU 74 N 1.26 0.84 0.14 0.00 3.38 -1.06 0.19 115.31 120.07 1sed h LEU 74 Ca 0.31 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1sed h LEU 74 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1sed h LEU 74 CO -0.05 0.88 -0.15 0.15 0.09 0.00 0.00 178.44 179.36 1sed h PHE 75 N 0.77 -0.38 -0.46 1.13 3.57 -0.62 -1.96 116.94 118.99 1sed h PHE 75 Ca 0.17 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1sed h PHE 75 Cb 0.38 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1sed h PHE 75 CO 0.03 -0.23 0.28 0.00 -2.23 0.00 0.00 178.31 176.16 1sed h ALA 76 N 0.51 1.62 0.00 2.41 0.00 -0.66 -0.29 119.26 122.85 1sed h ALA 76 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1sed h ALA 76 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1sed h ALA 76 CO -0.05 0.33 -0.26 0.78 0.00 0.00 0.00 179.25 180.06 1sed h GLY 77 N 0.67 0.00 0.00 0.00 0.00 -0.46 -3.32 103.07 99.96 1sed h GLY 77 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1sed h GLY 77 CO -0.03 0.00 -1.02 -0.18 0.00 0.00 0.00 176.54 175.31 1sed n GLN 78 N -3.40 1.85 -1.72 4.80 7.27 -0.78 -5.01 117.38 120.39 1sed n GLN 78 Ca 0.00 -0.05 -0.43 0.00 0.07 0.00 0.00 57.00 56.59 1sed n GLN 78 Cb 0.46 -1.12 -0.02 0.00 2.41 0.00 0.00 30.24 31.97 1sed n GLN 78 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1sed n LEU 79 N -1.57 3.92 -4.61 1.69 7.94 -0.17 -4.84 117.00 119.36 1sed n LEU 79 Ca -0.00 1.12 -0.59 0.00 -1.11 0.00 0.00 56.01 55.43 1sed n LEU 79 Cb 0.21 -1.54 -0.08 0.00 0.53 0.00 0.00 43.42 42.54 1sed n LEU 79 CO 0.21 -0.01 0.90 -3.20 -1.11 0.00 0.00 177.39 174.17 1sed n ASN 80 N 2.63 1.00 0.02 1.96 2.85 -1.26 -4.80 115.26 117.66 1sed n ASN 80 Ca 0.11 1.15 0.04 0.00 -0.11 0.00 0.00 54.58 55.77 1sed n ASN 80 Cb 0.35 -1.00 0.19 0.00 1.24 0.00 0.00 39.78 40.55 1sed n ASN 80 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1sed n GLU 81 N 2.90 0.03 0.06 1.20 0.28 -1.26 -1.07 120.64 122.77 1sed n GLU 81 Ca 0.23 0.43 0.12 0.00 -0.16 0.00 0.00 57.16 57.78 1sed n GLU 81 Cb 0.08 -1.57 0.48 0.00 1.43 0.00 0.00 31.44 31.86 1sed n GLU 81 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sed n LYS 82 N -1.62 0.12 -4.19 3.44 5.02 -1.26 -4.79 118.16 114.88 1sed n LYS 82 Ca 0.01 0.18 -0.31 0.00 -2.02 0.00 0.00 58.31 56.17 1sed n LYS 82 Cb 0.07 -1.66 -0.08 0.00 -0.02 0.00 0.00 35.03 33.34 1sed n LYS 82 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sed s LEU 83 N -3.75 3.50 -0.00 -0.35 1.43 -0.23 -4.99 118.68 114.29 1sed s LEU 83 Ca 0.10 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 1sed s LEU 83 Cb 0.14 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1sed s LEU 83 CO 0.49 0.22 0.50 -0.62 0.23 0.00 0.00 176.35 177.17 1sed s ASP 84 N -2.00 6.89 0.08 2.29 2.15 -1.26 -4.88 116.67 119.94 1sed s ASP 84 Ca 0.23 1.06 -0.32 0.00 0.43 0.00 0.00 52.55 53.96 1sed s ASP 84 Cb -0.12 -2.31 -0.16 0.00 -0.30 0.00 0.00 42.92 40.03 1sed s ASP 84 CO 0.15 0.20 1.63 0.58 -0.17 0.00 0.00 175.17 177.56 1sed h VAL 85 N 3.94 0.35 -0.16 1.11 2.07 -1.97 0.01 116.25 121.60 1sed h VAL 85 Ca -0.48 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1sed h VAL 85 Cb 1.21 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1sed h VAL 85 CO 0.66 0.00 -0.11 0.45 0.02 0.00 0.00 177.57 178.59 1sed h HIS 86 N -0.78 -0.28 -0.61 1.57 3.86 -2.00 -1.21 115.15 115.70 1sed h HIS 86 Ca -0.06 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1sed h HIS 86 Cb 0.64 0.15 -0.04 0.00 1.06 0.00 0.00 27.41 29.22 1sed h HIS 86 CO -0.10 -0.17 0.37 1.49 0.86 0.00 0.00 177.93 180.37 1sed h GLU 87 N -0.12 0.70 -0.42 2.45 4.81 -1.96 -1.59 114.58 118.46 1sed h GLU 87 Ca 0.10 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1sed h GLU 87 Cb 0.26 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1sed h GLU 87 CO -0.24 0.46 0.13 1.15 -0.73 0.00 0.00 179.01 179.78 1sed h THR 88 N 0.72 1.22 -0.22 0.32 2.02 -0.59 -1.49 112.91 114.88 1sed h THR 88 Ca 0.25 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1sed h THR 88 Cb 0.05 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1sed h THR 88 CO -0.12 0.26 0.13 0.40 0.37 0.00 0.00 175.52 176.55 1sed h ILE 89 N 0.53 1.10 -0.38 3.11 2.04 -0.90 0.02 117.51 123.03 1sed h ILE 89 Ca 0.13 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1sed h ILE 89 Cb 0.26 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1sed h ILE 89 CO -0.00 0.09 -0.05 -0.26 0.00 0.00 0.00 178.15 177.92 1sed h PHE 90 N 0.25 0.67 -0.15 1.37 0.04 -1.26 0.53 116.94 118.39 1sed h PHE 90 Ca 0.08 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1sed h PHE 90 Cb 0.04 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1sed h PHE 90 CO -0.04 0.67 -0.01 0.00 -0.60 0.00 0.00 178.31 178.33 1sed h ALA 91 N 1.36 0.20 -0.30 2.45 0.00 -0.85 0.48 119.26 122.60 1sed h ALA 91 Ca 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sed h ALA 91 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1sed h ALA 91 CO 0.02 -0.09 0.18 -0.07 0.00 0.00 0.00 179.25 179.29 1sed h LEU 92 N 0.00 0.29 0.01 0.00 3.38 -0.80 -0.47 115.31 117.72 1sed h LEU 92 Ca 0.04 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1sed h LEU 92 Cb 0.39 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1sed h LEU 92 CO 0.01 0.21 -0.12 0.22 0.09 0.00 0.00 178.44 178.85 1sed h TYR 93 N 0.36 -0.31 -0.11 1.13 3.20 -0.75 -0.18 116.97 120.31 1sed h TYR 93 Ca 0.12 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 1sed h TYR 93 Cb -0.00 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1sed h TYR 93 CO -0.07 -0.18 -0.15 0.93 -1.64 0.00 0.00 178.16 177.04 1sed h GLU 94 N -0.21 0.17 0.00 1.82 4.39 -0.68 -0.74 114.58 119.32 1sed h GLU 94 Ca 0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sed h GLU 94 Cb 0.26 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1sed h GLU 94 CO -0.11 0.33 0.00 0.94 -1.16 0.00 0.00 179.01 179.00 1sed n GLN 95 N -4.28 0.77 -1.31 2.33 7.27 -0.20 -4.72 117.38 117.23 1sed n GLN 95 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1sed n GLN 95 Cb 0.27 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.42 1sed n GLN 95 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sed n GLY 96 N 0.93 0.38 3.88 1.69 0.00 -0.28 -4.96 105.19 106.83 1sed n GLY 96 Ca 0.20 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1sed n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sed s LEU 97 N 0.00 4.17 -1.43 0.99 1.43 -0.11 -4.58 118.68 119.15 1sed s LEU 97 Ca 0.00 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1sed s LEU 97 Cb 0.00 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.43 1sed s LEU 97 CO 0.00 0.15 0.07 -1.22 0.23 0.00 0.00 176.35 175.58 1sed n TYR 98 N 0.19 -1.20 -0.09 0.29 4.01 -1.26 -4.27 117.16 114.83 1sed n TYR 98 Ca -0.06 0.52 -0.07 0.00 -0.16 0.00 0.00 57.90 58.13 1sed n TYR 98 Cb 0.52 -2.63 -0.00 0.00 -0.31 0.00 0.00 39.34 36.91 1sed n TYR 98 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1sed h GLN 99 N -1.71 -0.17 -0.04 -0.72 4.15 -1.92 -0.24 115.11 114.47 1sed h GLN 99 Ca -0.63 0.01 0.03 0.00 0.77 0.00 0.00 58.65 58.83 1sed h GLN 99 Cb 1.32 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.02 1sed h GLN 99 CO 0.65 -0.11 -0.14 0.93 -1.93 0.00 0.00 178.83 178.22 1sed h GLU 100 N -0.18 -0.21 -0.37 1.69 3.07 -1.99 -0.51 114.58 116.08 1sed h GLU 100 Ca 0.17 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 1sed h GLU 100 Cb 0.44 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1sed h GLU 100 CO -0.44 -0.14 0.16 1.25 -1.40 0.00 0.00 179.01 178.43 1sed h LEU 101 N -0.22 0.51 -0.81 1.33 5.85 -1.88 -2.58 115.31 117.51 1sed h LEU 101 Ca 0.06 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1sed h LEU 101 Cb 0.30 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1sed h LEU 101 CO -0.17 0.53 0.41 0.24 -0.34 0.00 0.00 178.44 179.11 1sed h MET 102 N 0.46 1.16 -0.45 1.25 2.86 -0.82 0.06 114.93 119.45 1sed h MET 102 Ca 0.12 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1sed h MET 102 Cb 0.17 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1sed h MET 102 CO -0.01 0.88 0.06 0.93 1.06 0.00 0.00 176.91 179.84 1sed h GLU 103 N 1.15 0.70 -0.32 1.72 5.08 -1.00 0.22 114.58 122.12 1sed h GLU 103 Ca 0.28 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1sed h GLU 103 Cb 0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1sed h GLU 103 CO -0.04 0.67 -0.03 0.28 -1.00 0.00 0.00 179.01 178.89 1sed h VAL 104 N 0.67 1.27 -0.50 3.13 2.07 -0.97 -0.86 116.25 121.06 1sed h VAL 104 Ca 0.15 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 1sed h VAL 104 Cb 0.32 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1sed h VAL 104 CO 0.01 0.34 0.20 -0.26 0.02 0.00 0.00 177.57 177.87 1sed h PHE 105 N 0.38 0.76 -0.68 1.57 0.04 -0.42 -0.12 116.94 118.47 1sed h PHE 105 Ca 0.09 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1sed h PHE 105 Cb 0.50 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 1sed h PHE 105 CO 0.04 0.63 0.36 0.82 -0.60 0.00 0.00 178.31 179.56 1sed h ILE 106 N 0.66 1.21 -0.32 -0.55 2.04 -0.48 -0.48 117.51 119.60 1sed h ILE 106 Ca 0.17 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1sed h ILE 106 Cb 0.19 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1sed h ILE 106 CO -0.01 0.24 0.05 -0.78 0.00 0.00 0.00 178.15 177.65 1sed h ASP 107 N 0.96 0.50 -0.60 1.72 1.82 -0.63 -1.47 116.42 118.72 1sed h ASP 107 Ca 0.24 -0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1sed h ASP 107 Cb 0.05 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 39.90 1sed h ASP 107 CO -0.04 0.63 0.33 0.40 -1.61 0.00 0.00 179.24 178.95 1sed h ILE 108 N 0.35 1.20 -0.60 2.25 2.04 -0.40 -2.37 117.51 119.98 1sed h ILE 108 Ca 0.10 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1sed h ILE 108 Cb 0.34 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1sed h ILE 108 CO 0.01 0.21 0.19 0.24 0.00 0.00 0.00 178.15 178.80 1sed h MET 109 N 0.82 0.90 -0.53 2.37 2.86 -0.96 -1.55 114.93 118.84 1sed h MET 109 Ca 0.21 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1sed h MET 109 Cb 0.05 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1sed h MET 109 CO -0.03 0.77 0.30 -0.22 1.06 0.00 0.00 176.91 178.79 1sed h LYS 110 N 0.87 0.73 -0.01 1.72 3.64 -0.92 0.68 116.57 123.29 1sed h LYS 110 Ca 0.20 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.30 1sed h LYS 110 Cb 0.25 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1sed h LYS 110 CO -0.01 0.53 -0.90 0.45 -2.27 0.00 0.00 179.45 177.25 1sed h HIS 111 N 0.74 0.48 0.00 1.91 3.86 -0.80 -3.35 115.15 117.98 1sed h HIS 111 Ca 0.19 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1sed h HIS 111 Cb 0.01 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1sed h HIS 111 CO 0.00 1.07 -1.63 1.19 0.86 0.00 0.00 177.93 179.42 1sed n PHE 112 N -3.72 0.00 1.86 2.45 3.72 -0.78 -5.13 117.46 115.86 1sed n PHE 112 Ca -0.05 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.50 1sed n PHE 112 Cb 0.81 -0.33 0.88 0.00 -0.94 0.00 0.00 39.48 39.90 1sed n PHE 112 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46