#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htw s GLU 2 N 0.00 4.14 0.19 0.03 0.41 -1.26 -4.89 118.70 117.32 1htw s GLU 2 Ca 0.00 2.25 -0.13 0.00 -0.41 0.00 0.00 54.97 56.69 1htw s GLU 2 Cb 0.00 -2.91 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 1htw s GLU 2 CO 0.00 -0.38 0.40 -1.54 -0.49 0.00 0.00 175.26 173.25 1htw s SER 3 N -0.54 -0.09 -0.03 -0.19 1.04 -1.26 -1.56 113.70 111.08 1htw s SER 3 Ca 0.53 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 56.24 1htw s SER 3 Cb -0.40 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.23 1htw s SER 3 CO 0.53 -0.99 -0.10 -0.22 0.98 0.00 0.00 173.24 173.44 1htw s LEU 4 N -2.94 1.75 -0.09 2.42 2.96 -0.15 -4.96 118.68 117.66 1htw s LEU 4 Ca 0.15 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1htw s LEU 4 Cb 0.01 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 46.07 1htw s LEU 4 CO 0.01 0.06 -0.14 0.28 -1.32 0.00 0.00 176.35 175.24 1htw s THR 5 N 0.29 3.05 -0.08 3.68 -1.32 -1.26 -0.76 115.64 119.24 1htw s THR 5 Ca -0.05 -0.70 -0.02 0.00 -1.21 0.00 0.00 61.69 59.71 1htw s THR 5 Cb -0.10 -2.23 0.03 0.00 -1.51 0.00 0.00 72.50 68.69 1htw s THR 5 CO 0.01 0.56 0.03 -1.58 -2.21 0.00 0.00 174.62 171.43 1htw s GLN 6 N -0.23 0.33 0.09 7.08 2.00 0.66 -5.00 119.66 124.60 1htw s GLN 6 Ca 0.01 0.15 -0.30 0.00 -2.00 0.00 0.00 55.36 53.21 1htw s GLN 6 Cb -0.13 -0.97 -0.05 0.00 0.80 0.00 0.00 33.01 32.65 1htw s GLN 6 CO 0.03 -0.37 0.97 -0.47 -0.50 0.00 0.00 175.29 174.95 1htw s TYR 7 N 2.05 3.78 -0.43 1.67 5.04 -1.26 0.07 117.35 128.26 1htw s TYR 7 Ca 0.04 1.78 0.03 0.00 -2.44 0.00 0.00 57.07 56.48 1htw s TYR 7 Cb -0.13 -3.07 0.12 0.00 0.35 0.00 0.00 41.96 39.23 1htw s TYR 7 CO -0.05 0.15 0.20 0.42 -1.34 0.00 0.00 175.55 174.93 1htw s ILE 8 N 0.17 1.85 0.34 3.14 -1.09 -0.32 -4.95 121.20 120.34 1htw s ILE 8 Ca 0.48 -2.61 0.12 0.00 -2.23 0.00 0.00 60.65 56.41 1htw s ILE 8 Cb -0.23 -2.31 0.06 0.00 -1.58 0.00 0.00 42.46 38.40 1htw s ILE 8 CO 0.30 -0.79 1.77 1.55 -1.23 0.00 0.00 174.94 176.53 1htw h PRO 9 N 6.98 0.00 -3.39 2.79 0.13 -1.92 0.13 132.00 136.70 1htw h PRO 9 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1htw h PRO 9 Cb 0.94 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.00 1htw h PRO 9 CO 0.55 0.44 0.03 0.16 -0.23 0.00 0.00 178.00 178.96 1htw s ASP 10 N -6.88 -0.08 0.30 1.44 1.47 -1.26 -4.43 116.67 107.23 1htw s ASP 10 Ca -0.02 -0.87 0.02 0.00 1.18 0.00 0.00 52.55 52.86 1htw s ASP 10 Cb 0.14 0.67 0.57 0.00 -0.34 0.00 0.00 42.92 43.95 1htw s ASP 10 CO 0.73 -1.27 1.89 -0.08 0.68 0.00 0.00 175.17 177.12 1htw h GLU 11 N 2.13 0.95 -0.46 2.11 4.81 -1.89 -2.27 114.58 119.97 1htw h GLU 11 Ca -0.24 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 1htw h GLU 11 Cb 1.25 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1htw h GLU 11 CO 0.32 0.63 -0.04 0.35 -0.73 0.00 0.00 179.01 179.54 1htw h PHE 12 N 0.98 0.83 -0.58 0.92 3.57 -1.99 -0.31 116.94 120.36 1htw h PHE 12 Ca 0.42 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1htw h PHE 12 Cb 0.33 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1htw h PHE 12 CO -0.00 0.79 0.12 1.03 -2.23 0.00 0.00 178.31 178.02 1htw h SER 13 N 0.72 0.86 -0.52 0.41 0.87 -1.84 -1.45 113.55 112.61 1htw h SER 13 Ca 0.13 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1htw h SER 13 Cb 0.49 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1htw h SER 13 CO 0.02 0.86 0.24 -0.03 -0.53 0.00 0.00 176.83 177.39 1htw h MET 14 N 0.87 0.75 -0.43 2.24 1.85 -0.57 -1.05 114.93 118.59 1htw h MET 14 Ca 0.18 -0.12 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1htw h MET 14 Cb 0.35 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.23 1htw h MET 14 CO 0.00 0.63 0.19 -0.07 -0.40 0.00 0.00 176.91 177.26 1htw h LEU 15 N 0.69 0.57 -0.92 3.39 3.38 -0.71 -1.51 115.31 120.20 1htw h LEU 15 Ca 0.18 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1htw h LEU 15 Cb 0.13 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1htw h LEU 15 CO -0.02 0.56 0.61 0.03 0.09 0.00 0.00 178.44 179.71 1htw h ARG 16 N 0.55 1.17 -0.50 1.13 3.08 -1.11 -0.70 114.38 117.99 1htw h ARG 16 Ca 0.15 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1htw h ARG 16 Cb 0.15 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1htw h ARG 16 CO -0.02 0.77 0.14 0.35 -1.07 0.00 0.00 179.97 180.15 1htw h PHE 17 N 1.20 0.81 -0.72 3.04 3.57 -0.96 -2.34 116.94 121.54 1htw h PHE 17 Ca 0.36 -0.09 0.08 0.00 3.53 0.00 0.00 57.97 61.84 1htw h PHE 17 Cb -0.06 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.38 1htw h PHE 17 CO -0.01 0.71 0.40 0.78 -2.23 0.00 0.00 178.31 177.96 1htw h GLY 18 N 0.67 1.08 1.13 2.40 0.00 -0.79 0.13 103.07 107.69 1htw h GLY 18 Ca 0.16 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1htw h GLY 18 CO -0.00 0.13 0.11 1.70 0.00 0.00 0.00 176.54 178.47 1htw h LYS 19 N 0.70 1.06 -0.48 4.80 3.64 -0.94 0.78 116.57 126.13 1htw h LYS 19 Ca 0.34 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1htw h LYS 19 Cb 0.27 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1htw h LYS 19 CO -0.22 0.98 0.06 -0.22 -2.27 0.00 0.00 179.45 177.78 1htw h LYS 20 N 1.00 0.81 -0.21 1.90 3.64 -0.87 -0.61 116.57 122.22 1htw h LYS 20 Ca 0.20 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1htw h LYS 20 Cb 0.43 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1htw h LYS 20 CO 0.01 0.82 -0.15 0.35 -2.27 0.00 0.00 179.45 178.21 1htw h PHE 21 N 0.68 0.56 -0.57 1.91 3.57 -0.30 -2.60 116.94 120.19 1htw h PHE 21 Ca 0.14 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1htw h PHE 21 Cb 0.42 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1htw h PHE 21 CO 0.03 0.79 0.25 0.00 -2.23 0.00 0.00 178.31 177.16 1htw h ALA 22 N 0.68 1.38 0.00 2.41 0.00 -0.67 -1.48 119.26 121.58 1htw h ALA 22 Ca 0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1htw h ALA 22 Cb 0.67 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1htw h ALA 22 CO 0.04 0.48 -0.31 0.93 0.00 0.00 0.00 179.25 180.39 1htw h GLU 23 N 0.80 0.00 -0.13 0.00 5.08 -0.96 -1.13 114.58 118.24 1htw h GLU 23 Ca 0.20 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1htw h GLU 23 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1htw h GLU 23 CO -0.02 0.31 -0.15 0.82 -1.00 0.00 0.00 179.01 178.97 1htw h ILE 24 N 0.00 1.36 -0.36 3.13 2.04 -0.95 -3.11 117.51 119.62 1htw h ILE 24 Ca -0.00 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 1htw h ILE 24 Cb 0.80 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1htw h ILE 24 CO 0.04 0.39 0.09 -0.07 0.00 0.00 0.00 178.15 178.60 1htw h LEU 25 N -0.06 0.48 -2.17 1.44 3.38 -0.80 -2.87 115.31 114.72 1htw h LEU 25 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1htw h LEU 25 Cb 0.70 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1htw h LEU 25 CO 0.04 0.49 0.00 -0.07 0.09 0.00 0.00 178.44 178.99 1htw h LEU 26 N 0.52 0.00 -0.04 1.67 3.38 -1.14 -1.52 115.31 118.18 1htw h LEU 26 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1htw h LEU 26 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1htw h LEU 26 CO -0.00 0.00 -0.11 0.29 0.09 0.00 0.00 178.44 178.71 1htw n LYS 27 N -3.08 0.18 -4.50 1.13 5.02 -1.08 -4.89 118.16 110.94 1htw n LYS 27 Ca -0.01 -0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 1htw n LYS 27 Cb 0.20 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 1htw n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1htw s LEU 28 N -2.84 3.29 -0.03 -0.35 1.43 -0.57 -5.10 118.68 114.50 1htw s LEU 28 Ca 0.18 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1htw s LEU 28 Cb 0.19 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1htw s LEU 28 CO 0.54 0.31 -0.17 -1.00 0.23 0.00 0.00 176.35 176.27 1htw s HIS 29 N -0.51 1.61 0.06 0.29 3.76 -1.26 -5.03 115.29 114.20 1htw s HIS 29 Ca 0.08 -0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 54.52 1htw s HIS 29 Cb -0.12 -1.07 -0.02 0.00 1.11 0.00 0.00 32.58 32.48 1htw s HIS 29 CO 0.02 -0.12 0.09 0.95 -0.85 0.00 0.00 174.74 174.83 1htw s THR 30 N -0.07 0.16 -0.08 1.30 -4.23 -1.26 -5.05 115.64 106.42 1htw s THR 30 Ca -0.01 -1.32 0.16 0.00 -1.18 0.00 0.00 61.69 59.34 1htw s THR 30 Cb -0.10 -1.21 0.08 0.00 1.34 0.00 0.00 72.50 72.61 1htw s THR 30 CO 0.01 -0.73 1.51 -0.33 -0.54 0.00 0.00 174.62 174.54 1htw h GLU 31 N 3.23 0.00 -5.48 3.99 5.08 -1.98 -3.36 114.58 116.06 1htw h GLU 31 Ca -0.33 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.45 1htw h GLU 31 Cb 1.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 1htw h GLU 31 CO 0.57 0.48 -0.60 -1.59 -1.00 0.00 0.00 179.01 176.87 1htw s LYS 32 N -3.10 1.88 0.52 2.33 -2.85 -1.26 -3.95 119.74 113.31 1htw s LYS 32 Ca 0.03 -2.07 -0.22 0.00 -1.00 0.00 0.00 55.97 52.72 1htw s LYS 32 Cb 0.08 -1.36 -0.06 0.00 -2.06 0.00 0.00 37.83 34.44 1htw s LYS 32 CO 0.73 -0.13 1.26 0.00 0.10 0.00 0.00 175.35 177.32 1htw s ALA 33 N -2.92 2.83 -0.22 0.59 0.00 -0.10 -4.48 121.76 117.45 1htw s ALA 33 Ca 0.33 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.13 1htw s ALA 33 Cb 0.09 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1htw s ALA 33 CO 0.16 -1.07 1.04 0.42 0.00 0.00 0.00 175.76 176.31 1htw s ILE 34 N -1.44 4.69 -0.24 0.00 1.01 -0.02 -4.91 121.20 120.29 1htw s ILE 34 Ca 0.69 2.02 -0.06 0.00 0.00 0.00 0.00 60.65 63.31 1htw s ILE 34 Cb -0.34 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 37.80 1htw s ILE 34 CO 0.40 -0.17 0.03 -0.04 0.00 0.00 0.00 174.94 175.16 1htw s MET 35 N 3.14 3.49 -0.16 2.79 -1.94 -1.26 -0.79 119.30 124.57 1htw s MET 35 Ca 0.44 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.85 1htw s MET 35 Cb -0.15 -3.21 0.03 0.00 2.01 0.00 0.00 34.83 33.51 1htw s MET 35 CO 0.07 -0.22 -0.14 0.08 -0.01 0.00 0.00 175.02 174.80 1htw s VAL 36 N 1.55 1.62 -0.26 -6.03 1.01 -0.45 -0.15 120.40 117.70 1htw s VAL 36 Ca 0.06 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1htw s VAL 36 Cb -0.15 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1htw s VAL 36 CO 0.01 0.41 0.27 -0.31 0.00 0.00 0.00 175.10 175.48 1htw s TYR 37 N 1.46 3.27 -0.34 5.22 1.51 -0.67 -0.56 117.35 127.23 1htw s TYR 37 Ca 0.04 0.30 -0.14 0.00 -1.01 0.00 0.00 57.07 56.26 1htw s TYR 37 Cb -0.13 -2.44 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 1htw s TYR 37 CO -0.10 -0.12 0.29 -0.51 -1.11 0.00 0.00 175.55 174.00 1htw s LEU 38 N 1.67 4.51 -0.05 -1.29 1.43 0.37 -0.64 118.68 124.69 1htw s LEU 38 Ca 0.11 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1htw s LEU 38 Cb -0.15 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 1htw s LEU 38 CO 0.09 -0.29 -0.08 0.20 0.23 0.00 0.00 176.35 176.51 1htw s ASN 39 N 1.73 4.58 0.00 2.29 0.01 0.63 -4.05 114.94 120.13 1htw s ASN 39 Ca 0.08 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 1htw s ASN 39 Cb -0.17 -1.12 0.00 0.00 0.41 0.00 0.00 41.25 40.37 1htw s ASN 39 CO 0.11 0.34 0.00 0.61 -1.51 0.00 0.00 177.10 176.65 1htw n GLY 40 N 2.08 3.31 3.56 0.66 0.00 -1.26 -1.28 105.19 112.26 1htw n GLY 40 Ca -0.17 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1htw n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1htw s ASP 41 N 0.00 1.75 0.11 1.61 1.01 -1.26 -4.84 116.67 115.04 1htw s ASP 41 Ca 0.00 1.81 -0.34 0.00 0.71 0.00 0.00 52.55 54.73 1htw s ASP 41 Cb 0.00 -2.43 -0.13 0.00 1.01 0.00 0.00 42.92 41.37 1htw s ASP 41 CO 0.00 -3.77 1.65 0.18 0.21 0.00 0.00 175.17 173.44 1htw n LEU 42 N -4.65 3.22 0.00 1.23 4.77 -1.26 -1.50 117.00 118.81 1htw n LEU 42 Ca 0.07 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1htw n LEU 42 Cb 0.53 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1htw n LEU 42 CO 0.54 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1htw n GLY 43 N 3.65 1.02 0.21 -0.72 0.00 -1.26 -4.93 105.19 103.17 1htw n GLY 43 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1htw n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htw h ALA 44 N 0.00 1.54 0.00 4.61 0.00 -1.59 -3.46 119.26 120.36 1htw h ALA 44 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1htw h ALA 44 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1htw h ALA 44 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1htw n GLY 45 N -0.78 1.73 0.14 0.00 0.00 -1.26 -4.97 105.19 100.05 1htw n GLY 45 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1htw n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1htw h LYS 46 N 0.00 0.40 0.00 1.61 1.57 -1.90 0.95 116.57 119.20 1htw h LYS 46 Ca 0.00 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 1htw h LYS 46 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1htw h LYS 46 CO 0.00 0.54 -0.70 1.15 -0.57 0.00 0.00 179.45 179.87 1htw h THR 47 N 0.19 1.42 -0.19 -0.16 2.02 -1.98 -0.99 112.91 113.22 1htw h THR 47 Ca 0.07 -2.48 -0.17 0.00 0.77 0.00 0.00 66.41 64.61 1htw h THR 47 Cb 0.35 2.36 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1htw h THR 47 CO 0.01 0.69 -0.56 0.74 0.37 0.00 0.00 175.52 176.77 1htw h THR 48 N 0.00 1.32 -0.58 3.16 2.02 -1.90 0.66 112.91 117.59 1htw h THR 48 Ca -0.01 -1.80 -0.03 0.00 0.77 0.00 0.00 66.41 65.34 1htw h THR 48 Cb 1.31 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 69.46 1htw h THR 48 CO 0.09 0.56 0.23 0.25 0.37 0.00 0.00 175.52 177.02 1htw h LEU 49 N 0.46 0.80 -1.23 2.58 5.85 -0.66 -1.01 115.31 122.09 1htw h LEU 49 Ca 0.01 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1htw h LEU 49 Cb 1.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1htw h LEU 49 CO 0.11 0.76 -0.08 0.74 -0.34 0.00 0.00 178.44 179.63 1htw h THR 50 N 0.80 1.20 -0.60 1.05 2.02 -0.70 -1.11 112.91 115.57 1htw h THR 50 Ca 0.19 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 1htw h THR 50 Cb 0.21 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1htw h THR 50 CO -0.02 0.28 0.04 -0.09 0.37 0.00 0.00 175.52 176.11 1htw h ARG 51 N 0.41 1.02 -0.11 6.66 2.43 -0.32 -0.63 114.38 123.84 1htw h ARG 51 Ca 0.08 -0.29 0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1htw h ARG 51 Cb 0.40 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1htw h ARG 51 CO 0.02 0.98 -0.07 0.78 -1.51 0.00 0.00 179.97 180.16 1htw h GLY 52 N 1.02 0.03 0.99 2.80 0.00 -0.44 0.27 103.07 107.73 1htw h GLY 52 Ca 0.18 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.60 1htw h GLY 52 CO 0.02 -0.09 0.24 -0.33 0.00 0.00 0.00 176.54 176.38 1htw h MET 53 N -0.07 0.47 0.04 4.80 2.86 -0.70 -0.86 114.93 121.47 1htw h MET 53 Ca 0.07 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 1htw h MET 53 Cb 0.17 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.74 1htw h MET 53 CO -0.16 0.31 -0.43 -0.07 1.06 0.00 0.00 176.91 177.62 1htw h LEU 54 N 0.48 0.30 -1.20 1.22 3.38 -0.83 -2.67 115.31 116.01 1htw h LEU 54 Ca 0.14 -0.87 -0.06 0.00 0.09 0.00 0.00 57.88 57.17 1htw h LEU 54 Cb -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1htw h LEU 54 CO -0.04 1.14 -0.31 1.56 0.09 0.00 0.00 178.44 180.89 1htw h GLN 55 N -0.49 0.00 -0.44 1.13 4.20 -0.59 -0.54 115.11 118.38 1htw h GLN 55 Ca -0.07 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1htw h GLN 55 Cb 1.25 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 1htw h GLN 55 CO 0.08 0.31 0.03 0.78 -0.67 0.00 0.00 178.83 179.36 1htw h GLY 56 N 1.68 0.75 -3.13 3.46 0.00 -1.10 -2.45 103.07 102.28 1htw h GLY 56 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1htw h GLY 56 CO 0.04 0.43 0.00 0.29 0.00 0.00 0.00 176.54 177.30 1htw n ILE 57 N -4.25 2.13 0.00 2.60 -5.35 -1.01 -4.95 119.36 108.53 1htw n ILE 57 Ca 0.02 -1.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.21 1htw n ILE 57 Cb 0.26 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 1htw n ILE 57 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1htw n GLY 58 N 0.90 1.03 3.70 3.28 0.00 -0.92 -4.93 105.19 108.25 1htw n GLY 58 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1htw n GLY 58 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1htw s HIS 59 N -2.00 2.98 -0.18 1.61 5.04 -0.24 -4.97 115.29 117.53 1htw s HIS 59 Ca 0.00 0.84 -0.04 0.00 -1.54 0.00 0.00 55.06 54.32 1htw s HIS 59 Cb 0.00 -3.69 -0.02 0.00 0.04 0.00 0.00 32.58 28.91 1htw s HIS 59 CO 0.00 -2.50 -0.02 -0.65 -2.34 0.00 0.00 174.74 169.23 1htw s GLN 60 N 1.91 3.61 0.00 2.88 -0.21 -1.26 -4.30 119.66 122.30 1htw s GLN 60 Ca 0.65 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 55.49 1htw s GLN 60 Cb -0.34 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 30.69 1htw s GLN 60 CO 0.28 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.97 1htw n GLY 61 N 3.95 1.36 3.69 3.09 0.00 -1.26 -5.08 105.19 110.95 1htw n GLY 61 Ca -0.17 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.24 1htw n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1htw n ASN 62 N 0.00 2.02 -4.05 1.61 5.03 -1.26 -4.99 115.26 113.62 1htw n ASN 62 Ca 0.00 0.94 -0.34 0.00 0.87 0.00 0.00 54.58 56.05 1htw n ASN 62 Cb 0.00 -1.50 -0.12 0.00 -1.02 0.00 0.00 39.78 37.14 1htw n ASN 62 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1htw s VAL 63 N -1.34 3.19 0.53 2.41 1.01 -1.26 -5.09 120.40 119.85 1htw s VAL 63 Ca 0.72 -2.86 -0.20 0.00 0.00 0.00 0.00 61.98 59.64 1htw s VAL 63 Cb -0.44 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1htw s VAL 63 CO 0.49 -0.80 1.12 -0.54 0.00 0.00 0.00 175.10 175.37 1htw s LYS 64 N 0.16 3.42 0.09 2.72 1.02 -1.26 -4.96 119.74 120.94 1htw s LYS 64 Ca 0.15 1.59 -0.31 0.00 0.02 0.00 0.00 55.97 57.42 1htw s LYS 64 Cb -0.22 -2.03 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 1htw s LYS 64 CO -0.03 -0.79 1.53 0.45 -0.92 0.00 0.00 175.35 175.59 1htw s SER 65 N -1.79 6.69 0.00 2.83 0.15 -1.26 -4.88 113.70 115.45 1htw s SER 65 Ca 0.72 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.79 1htw s SER 65 Cb -0.23 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1htw s SER 65 CO 0.26 -0.79 0.81 -2.65 1.20 0.00 0.00 173.24 172.08 1htw n PRO 66 N 4.74 0.94 0.05 5.44 -0.02 -1.26 -4.36 135.00 140.53 1htw n PRO 66 Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1htw n PRO 66 Cb 0.41 -1.13 -0.05 0.00 -0.02 0.00 0.00 33.50 32.71 1htw n PRO 66 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1htw h THR 67 N 0.00 0.34 -0.31 3.45 2.02 -1.89 0.19 112.91 116.71 1htw h THR 67 Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 1htw h THR 67 Cb 0.13 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1htw h THR 67 CO 0.00 0.00 -0.44 0.22 0.37 0.00 0.00 175.52 175.67 1htw h TYR 68 N -0.44 0.95 -0.00 3.16 3.20 -1.91 -3.33 116.97 118.61 1htw h TYR 68 Ca 0.07 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1htw h TYR 68 Cb 0.53 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1htw h TYR 68 CO -0.34 1.08 -0.63 2.41 -1.64 0.00 0.00 178.16 179.05 1htw n THR 69 N -4.03 0.00 0.00 1.81 -1.04 -1.11 -4.99 114.28 104.92 1htw n THR 69 Ca -0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1htw n THR 69 Cb 0.56 0.51 0.00 0.00 -1.82 0.00 0.00 70.33 69.58 1htw n THR 69 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1htw n LEU 70 N -1.38 0.00 -3.83 -4.42 7.94 0.66 -4.84 117.00 111.12 1htw n LEU 70 Ca 0.06 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.84 1htw n LEU 70 Cb 0.34 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.17 1htw n LEU 70 CO 0.36 0.00 -0.18 0.54 -1.11 0.00 0.00 177.39 177.00 1htw s VAL 71 N 0.00 0.02 -0.03 1.96 0.11 -1.26 -0.64 120.40 120.57 1htw s VAL 71 Ca 0.00 -0.19 0.05 0.00 -2.93 0.00 0.00 61.98 58.91 1htw s VAL 71 Cb 0.00 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 1htw s VAL 71 CO 0.00 -0.10 -0.19 -0.70 -3.33 0.00 0.00 175.10 170.78 1htw s GLU 72 N -0.31 1.70 0.06 1.54 2.56 -0.07 -4.96 118.70 119.21 1htw s GLU 72 Ca -0.04 -0.67 0.04 0.00 0.00 0.00 0.00 54.97 54.30 1htw s GLU 72 Cb -0.03 -1.56 -0.04 0.00 2.00 0.00 0.00 34.13 34.50 1htw s GLU 72 CO 0.01 0.35 -0.02 -1.83 -0.56 0.00 0.00 175.26 173.21 1htw s GLU 73 N -0.26 2.56 -0.02 4.30 -1.05 -1.26 -0.73 118.70 122.24 1htw s GLU 73 Ca 0.03 -0.78 0.02 0.00 -0.15 0.00 0.00 54.97 54.08 1htw s GLU 73 Cb -0.09 -2.54 0.00 0.00 -0.44 0.00 0.00 34.13 31.06 1htw s GLU 73 CO 0.01 0.57 -0.07 0.71 0.95 0.00 0.00 175.26 177.42 1htw s TYR 74 N -1.20 0.72 -0.31 4.83 2.02 0.09 -5.01 117.35 118.49 1htw s TYR 74 Ca 0.22 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.79 1htw s TYR 74 Cb -0.11 -0.52 0.08 0.00 -0.40 0.00 0.00 41.96 41.01 1htw s TYR 74 CO 0.14 -0.07 0.00 0.54 -1.57 0.00 0.00 175.55 174.60 1htw s ASN 75 N 0.13 4.70 -0.28 2.29 4.22 -1.26 -0.35 114.94 124.40 1htw s ASN 75 Ca -0.02 -1.80 0.02 0.00 -2.14 0.00 0.00 52.86 48.92 1htw s ASN 75 Cb -0.06 -1.62 0.06 0.00 1.28 0.00 0.00 41.25 40.90 1htw s ASN 75 CO -0.00 -0.31 -0.06 -0.63 -2.04 0.00 0.00 177.10 174.05 1htw s ILE 76 N 1.02 2.41 -1.26 0.54 -1.09 -0.66 -4.54 121.20 117.63 1htw s ILE 76 Ca 0.02 -1.64 -0.07 0.00 -2.23 0.00 0.00 60.65 56.73 1htw s ILE 76 Cb -0.20 -2.45 0.01 0.00 -1.58 0.00 0.00 42.46 38.25 1htw s ILE 76 CO -0.06 -0.11 1.10 0.00 -1.23 0.00 0.00 174.94 174.64 1htw n ALA 77 N 4.47 -1.30 -0.45 9.38 0.00 -1.26 -0.73 120.51 130.62 1htw n ALA 77 Ca -0.12 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1htw n ALA 77 Cb 0.42 -4.90 0.00 0.00 0.00 0.00 0.00 19.45 14.97 1htw n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1htw n GLY 78 N -1.83 0.77 3.71 0.00 0.00 -1.26 -4.96 105.19 101.61 1htw n GLY 78 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1htw n GLY 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1htw s LYS 79 N -0.35 4.42 -0.15 1.61 2.47 0.09 -5.03 119.74 122.80 1htw s LYS 79 Ca 0.00 0.89 -0.18 0.00 -1.56 0.00 0.00 55.97 55.11 1htw s LYS 79 Cb 0.00 -3.46 -0.04 0.00 -1.46 0.00 0.00 37.83 32.87 1htw s LYS 79 CO 0.00 0.03 0.50 -1.64 0.16 0.00 0.00 175.35 174.40 1htw s MET 80 N 0.93 4.28 -0.13 4.03 -1.94 -1.26 -1.65 119.30 123.56 1htw s MET 80 Ca 0.37 0.45 0.02 0.00 -1.71 0.00 0.00 55.69 54.83 1htw s MET 80 Cb -0.18 -3.49 0.01 0.00 2.01 0.00 0.00 34.83 33.19 1htw s MET 80 CO 0.18 0.02 -0.19 0.42 -0.01 0.00 0.00 175.02 175.44 1htw s ILE 81 N 1.06 1.79 -0.21 2.53 1.01 0.52 -1.49 121.20 126.42 1htw s ILE 81 Ca 0.26 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 1htw s ILE 81 Cb -0.15 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1htw s ILE 81 CO 0.10 0.50 -0.03 -0.31 0.00 0.00 0.00 174.94 175.20 1htw s TYR 82 N 0.92 2.97 -0.27 3.97 2.02 -0.29 -0.73 117.35 125.94 1htw s TYR 82 Ca -0.06 -0.74 -0.07 0.00 -0.37 0.00 0.00 57.07 55.83 1htw s TYR 82 Cb -0.15 -2.08 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 1htw s TYR 82 CO -0.02 -0.41 0.06 -1.58 -1.57 0.00 0.00 175.55 172.03 1htw s HIS 83 N 1.21 3.10 0.13 2.71 5.65 0.10 -1.32 115.29 126.86 1htw s HIS 83 Ca 0.03 -0.76 0.05 0.00 0.25 0.00 0.00 55.06 54.62 1htw s HIS 83 Cb -0.14 -2.23 -0.04 0.00 -1.18 0.00 0.00 32.58 28.99 1htw s HIS 83 CO -0.01 -0.49 0.05 -0.06 -0.65 0.00 0.00 174.74 173.58 1htw s PHE 84 N 1.54 3.02 -0.18 3.88 0.40 0.99 -0.89 117.98 126.75 1htw s PHE 84 Ca 0.04 -0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.31 1htw s PHE 84 Cb -0.16 -1.50 0.06 0.00 0.51 0.00 0.00 43.02 41.92 1htw s PHE 84 CO 0.02 0.50 0.04 0.34 0.70 0.00 0.00 175.22 176.83 1htw s ASP 85 N -2.67 2.72 -0.00 1.36 -1.08 0.19 -0.19 116.67 117.00 1htw s ASP 85 Ca 0.28 -0.73 0.10 0.00 -0.52 0.00 0.00 52.55 51.68 1htw s ASP 85 Cb -0.11 -0.53 0.30 0.00 -1.46 0.00 0.00 42.92 41.12 1htw s ASP 85 CO 0.20 -0.30 1.24 0.18 0.52 0.00 0.00 175.17 177.01 1htw n LEU 86 N 5.09 1.87 -0.22 -1.34 4.77 -0.53 -4.38 117.00 122.26 1htw n LEU 86 Ca -0.08 -0.94 -0.05 0.00 -0.03 0.00 0.00 56.01 54.91 1htw n LEU 86 Cb 0.48 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1htw n LEU 86 CO 0.12 0.45 0.62 0.22 -1.33 0.00 0.00 177.39 177.47 1htw h TYR 87 N 1.98 -0.98 -0.48 -1.77 3.20 -1.82 -0.63 116.97 116.46 1htw h TYR 87 Ca 0.00 0.08 -0.19 0.00 3.14 0.00 0.00 58.73 61.75 1htw h TYR 87 Cb 0.48 0.52 -0.11 0.00 1.54 0.00 0.00 36.73 39.16 1htw h TYR 87 CO 0.24 -0.39 0.24 0.54 -1.64 0.00 0.00 178.16 177.15 1htw n ARG 88 N -5.43 2.20 -2.80 1.82 1.74 -1.26 -4.84 116.66 108.09 1htw n ARG 88 Ca 0.04 -1.71 -0.43 0.00 -0.77 0.00 0.00 57.85 54.99 1htw n ARG 88 Cb 0.36 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 1htw n ARG 88 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1htw s LEU 89 N -1.74 3.98 0.18 0.55 2.96 -0.25 -4.87 118.68 119.49 1htw s LEU 89 Ca 0.31 -0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 1htw s LEU 89 Cb 0.26 -3.10 0.05 0.00 0.50 0.00 0.00 46.19 43.90 1htw s LEU 89 CO 0.07 -1.14 1.42 0.00 -1.32 0.00 0.00 176.35 175.39 1htw h ALA 90 N 9.18 0.59 -2.47 5.97 0.00 -1.88 -3.44 119.26 127.21 1htw h ALA 90 Ca -0.25 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 53.94 1htw h ALA 90 Cb 1.07 -0.06 -0.27 0.00 0.00 0.00 0.00 17.79 18.53 1htw h ALA 90 CO 1.06 0.80 -0.34 0.16 0.00 0.00 0.00 179.25 180.93 1htw s ASP 91 N -6.96 -0.34 0.54 0.00 -4.77 -1.26 -5.00 116.67 98.87 1htw s ASP 91 Ca -0.05 1.05 0.26 0.00 -3.30 0.00 0.00 52.55 50.50 1htw s ASP 91 Cb 0.10 1.42 0.88 0.00 -1.09 0.00 0.00 42.92 44.23 1htw s ASP 91 CO 0.83 -0.23 1.18 -2.65 0.70 0.00 0.00 175.17 175.00 1htw n PRO 92 N 5.36 0.01 -0.27 2.11 -0.02 -1.26 0.11 135.00 141.04 1htw n PRO 92 Ca -0.09 0.92 0.26 0.00 -2.02 0.00 0.00 63.50 62.57 1htw n PRO 92 Cb 0.50 -2.27 0.61 0.00 -0.02 0.00 0.00 33.50 32.31 1htw n PRO 92 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1htw h GLU 93 N 0.00 0.21 0.00 -0.52 4.81 -1.95 0.62 114.58 117.75 1htw h GLU 93 Ca 0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1htw h GLU 93 Cb 2.70 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 32.03 1htw h GLU 93 CO -0.01 0.14 0.00 0.39 -0.73 0.00 0.00 179.01 178.81 1htw n GLU 94 N -4.42 0.56 0.00 1.92 -0.58 0.30 -2.66 120.64 115.76 1htw n GLU 94 Ca 0.23 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 57.08 1htw n GLU 94 Cb 0.94 -1.47 0.20 0.00 -0.57 0.00 0.00 31.44 30.54 1htw n GLU 94 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1htw n LEU 95 N -0.97 0.94 0.26 -4.62 4.77 0.21 -4.34 117.00 113.25 1htw n LEU 95 Ca 0.13 -0.26 0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1htw n LEU 95 Cb 0.06 -0.14 0.73 0.00 -2.33 0.00 0.00 43.42 41.74 1htw n LEU 95 CO 0.10 0.20 0.98 -0.08 -1.33 0.00 0.00 177.39 177.25 1htw h GLU 96 N 0.70 0.00 -1.38 3.23 4.57 -1.70 -3.20 114.58 116.80 1htw h GLU 96 Ca 0.00 0.00 0.46 0.00 -1.18 0.00 0.00 59.36 58.64 1htw h GLU 96 Cb 0.53 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.00 1htw h GLU 96 CO 0.00 0.11 0.91 1.97 -1.18 0.00 0.00 179.01 180.82 1htw n PHE 97 N -3.65 0.55 0.26 0.92 1.16 -1.26 -0.41 117.46 115.02 1htw n PHE 97 Ca -0.02 0.55 0.13 0.00 -1.87 0.00 0.00 57.45 56.24 1htw n PHE 97 Cb 0.23 -0.98 0.69 0.00 -1.61 0.00 0.00 39.48 37.81 1htw n PHE 97 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1htw h MET 98 N 0.00 0.00 0.00 3.97 -0.00 -1.90 -3.49 114.93 113.51 1htw h MET 98 Ca 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.53 1htw h MET 98 Cb 2.79 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 34.39 1htw h MET 98 CO -0.36 0.13 0.00 0.41 -0.00 0.00 0.00 176.91 177.09 1htw n GLY 99 N -0.51 0.38 0.44 -3.00 0.00 0.45 -3.47 105.19 99.47 1htw n GLY 99 Ca -0.01 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.21 1htw n GLY 99 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1htw n ILE 100 N 0.00 0.39 0.18 -0.61 -5.35 -1.26 -4.49 119.36 108.22 1htw n ILE 100 Ca 0.00 -0.69 0.02 0.00 -0.27 0.00 0.00 62.75 61.81 1htw n ILE 100 Cb 0.00 0.92 0.02 0.00 -1.74 0.00 0.00 39.64 38.85 1htw n ILE 100 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1htw n ARG 101 N 0.46 -0.11 -4.36 6.28 0.63 -1.26 -4.76 116.66 113.53 1htw n ARG 101 Ca 0.07 -0.85 -0.19 0.00 -0.92 0.00 0.00 57.85 55.96 1htw n ARG 101 Cb 0.30 -1.09 -0.10 0.00 0.45 0.00 0.00 32.46 32.02 1htw n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1htw s ASP 102 N -0.44 2.72 0.72 6.15 1.01 -1.23 -4.49 116.67 121.12 1htw s ASP 102 Ca 0.06 -1.02 0.00 0.00 0.71 0.00 0.00 52.55 52.30 1htw s ASP 102 Cb 0.04 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.81 1htw s ASP 102 CO 0.06 -0.14 0.00 -1.22 0.21 0.00 0.00 175.17 174.08 1htw n TYR 103 N -0.40 0.00 0.23 4.23 4.02 -1.26 -2.24 117.16 121.74 1htw n TYR 103 Ca -0.08 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.91 1htw n TYR 103 Cb 0.60 0.00 0.57 0.00 -0.02 0.00 0.00 39.34 40.49 1htw n TYR 103 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1htw h PHE 104 N 0.00 0.00 -0.85 -0.72 0.04 -1.93 -3.22 116.94 110.26 1htw h PHE 104 Ca 0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 1htw h PHE 104 Cb 0.00 0.00 -0.28 0.00 2.20 0.00 0.00 35.95 37.87 1htw h PHE 104 CO 0.00 0.21 0.44 0.09 -0.60 0.00 0.00 178.31 178.45 1htw n ASN 105 N -3.72 5.07 -3.34 2.17 3.02 -0.95 -0.92 115.26 116.59 1htw n ASN 105 Ca -0.01 -3.73 -0.17 0.00 -0.03 0.00 0.00 54.58 50.64 1htw n ASN 105 Cb 0.32 -0.80 -0.07 0.00 -0.61 0.00 0.00 39.78 38.63 1htw n ASN 105 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1htw s THR 106 N -3.99 0.00 -1.62 3.41 -1.32 -1.22 -4.37 115.64 106.55 1htw s THR 106 Ca 0.57 -1.84 -0.10 0.00 -1.21 0.00 0.00 61.69 59.11 1htw s THR 106 Cb 0.47 -2.56 -0.08 0.00 -1.51 0.00 0.00 72.50 68.82 1htw s THR 106 CO 0.04 0.00 2.91 -0.90 -2.21 0.00 0.00 174.62 174.46 1htw n ASP 107 N -1.45 8.43 -4.84 8.08 5.75 -1.26 -1.18 116.55 130.09 1htw n ASP 107 Ca 0.05 -2.59 -0.29 0.00 -0.01 0.00 0.00 54.79 51.94 1htw n ASP 107 Cb 0.62 -1.57 -0.04 0.00 -1.03 0.00 0.00 41.12 39.11 1htw n ASP 107 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1htw s SER 108 N 2.23 4.41 -0.17 -1.12 1.04 -1.26 -4.56 113.70 114.26 1htw s SER 108 Ca 0.68 -1.44 0.01 0.00 0.48 0.00 0.00 55.95 55.68 1htw s SER 108 Cb 0.18 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.80 1htw s SER 108 CO -0.06 -1.00 -0.19 -0.63 0.98 0.00 0.00 173.24 172.34 1htw s ILE 109 N -2.82 2.22 -0.16 -1.02 1.01 -0.55 -0.84 121.20 119.03 1htw s ILE 109 Ca 0.21 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 1htw s ILE 109 Cb -0.01 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1htw s ILE 109 CO 0.13 0.53 -0.08 0.00 0.00 0.00 0.00 174.94 175.52 1htw s LEU 111 N 0.70 2.54 -0.20 0.00 1.43 -0.44 -1.35 118.68 121.38 1htw s LEU 111 Ca -0.04 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1htw s LEU 111 Cb -0.15 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 1htw s LEU 111 CO 0.02 -0.02 -0.10 -0.63 0.23 0.00 0.00 176.35 175.86 1htw s ILE 112 N 1.38 2.96 0.07 -0.59 -1.09 0.28 -0.00 121.20 124.21 1htw s ILE 112 Ca 0.05 -0.64 -0.06 0.00 -2.23 0.00 0.00 60.65 57.78 1htw s ILE 112 Cb -0.14 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.38 1htw s ILE 112 CO -0.08 0.47 0.31 -1.61 -1.23 0.00 0.00 174.94 172.80 1htw s GLU 113 N 1.28 3.60 -1.27 2.79 2.02 0.74 -0.48 118.70 127.39 1htw s GLU 113 Ca 0.03 -0.08 -0.03 0.00 0.02 0.00 0.00 54.97 54.91 1htw s GLU 113 Cb -0.14 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.10 1htw s GLU 113 CO -0.05 0.57 1.05 0.91 0.02 0.00 0.00 175.26 177.77 1htw n TRP 114 N 0.67 -2.42 0.10 1.61 7.02 -1.26 -1.45 117.44 121.71 1htw n TRP 114 Ca -0.07 0.96 0.18 0.00 -1.02 0.00 0.00 57.50 57.54 1htw n TRP 114 Cb 0.52 -5.02 0.72 0.00 -2.42 0.00 0.00 31.31 25.11 1htw n TRP 114 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1htw h SER 115 N -2.18 0.00 -0.89 -0.99 4.64 -1.85 -1.78 113.55 110.50 1htw h SER 115 Ca -0.58 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 60.86 1htw h SER 115 Cb 1.35 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.37 1htw h SER 115 CO 0.53 0.00 0.57 -0.33 -0.87 0.00 0.00 176.83 176.73 1htw h GLU 116 N 0.00 0.73 0.00 4.77 5.08 -1.97 -0.38 114.58 122.81 1htw h GLU 116 Ca 0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1htw h GLU 116 Cb 0.73 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1htw h GLU 116 CO -0.00 0.48 0.00 1.63 -1.00 0.00 0.00 179.01 180.12 1htw n LYS 117 N -4.56 0.28 -0.07 2.33 4.76 -0.67 -3.01 118.16 117.23 1htw n LYS 117 Ca 0.17 0.08 0.09 0.00 -2.87 0.00 0.00 58.31 55.78 1htw n LYS 117 Cb 0.42 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 32.24 1htw n LYS 117 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1htw n GLY 118 N -0.28 4.67 3.63 0.72 0.00 -0.15 -4.31 105.19 109.47 1htw n GLY 118 Ca 0.07 -1.01 -0.48 0.00 0.00 0.00 0.00 46.02 44.60 1htw n GLY 118 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1htw n GLN 119 N -1.32 1.70 0.00 1.61 1.13 -1.16 -1.59 117.38 117.75 1htw n GLN 119 Ca 0.14 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.81 1htw n GLN 119 Cb 0.60 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.68 1htw n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1htw n GLY 120 N 2.60 3.29 0.02 1.08 0.00 -1.26 -4.79 105.19 106.13 1htw n GLY 120 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1htw n GLY 120 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1htw n ILE 121 N -1.73 0.34 -2.66 -0.61 -0.00 -0.62 -5.03 119.36 109.04 1htw n ILE 121 Ca 0.00 -0.24 -0.34 0.00 -0.00 0.00 0.00 62.75 62.16 1htw n ILE 121 Cb 0.00 -0.59 -0.05 0.00 -0.00 0.00 0.00 39.64 39.00 1htw n ILE 121 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1htw s LEU 122 N -4.25 3.99 0.61 1.39 1.43 -0.78 -5.04 118.68 116.03 1htw s LEU 122 Ca -0.03 1.86 -0.17 0.00 -1.03 0.00 0.00 54.13 54.76 1htw s LEU 122 Cb 0.02 -4.42 -0.02 0.00 0.03 0.00 0.00 46.19 41.80 1htw s LEU 122 CO 0.26 -0.50 1.12 -2.84 0.23 0.00 0.00 176.35 174.62 1htw s PRO 123 N -2.94 3.02 0.30 1.29 0.02 -1.26 -4.92 135.00 130.51 1htw s PRO 123 Ca 0.62 1.51 -0.29 0.00 0.02 0.00 0.00 61.00 62.86 1htw s PRO 123 Cb -0.15 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.30 1htw s PRO 123 CO 0.19 -1.10 1.31 -2.00 -0.33 0.00 0.00 177.00 175.08 1htw s GLU 124 N -3.72 4.37 0.48 5.54 2.12 -1.26 -4.96 118.70 121.26 1htw s GLU 124 Ca 0.70 2.18 -0.22 0.00 0.36 0.00 0.00 54.97 57.99 1htw s GLU 124 Cb -0.23 -3.10 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 1htw s GLU 124 CO 0.35 -0.19 1.16 0.00 -0.54 0.00 0.00 175.26 176.03 1htw s ALA 125 N -0.88 2.92 0.03 6.30 0.00 -1.26 -4.83 121.76 124.04 1htw s ALA 125 Ca 0.51 0.91 -0.08 0.00 0.00 0.00 0.00 51.96 53.29 1htw s ALA 125 Cb -0.39 -3.38 -0.31 0.00 0.00 0.00 0.00 23.12 19.05 1htw s ALA 125 CO 0.50 -0.67 0.99 -0.44 0.00 0.00 0.00 175.76 176.13 1htw h ASP 126 N 1.89 0.55 -3.68 0.00 3.32 -0.91 -3.39 116.42 114.19 1htw h ASP 126 Ca -0.49 -0.65 -0.45 0.00 0.02 0.00 0.00 57.03 55.46 1htw h ASP 126 Cb 1.25 -0.18 -0.32 0.00 0.22 0.00 0.00 39.33 40.30 1htw h ASP 126 CO 0.60 1.52 -0.79 -0.63 -1.72 0.00 0.00 179.24 178.21 1htw s ILE 127 N -2.62 0.83 -0.18 0.35 -1.09 -0.98 -1.54 121.20 115.96 1htw s ILE 127 Ca -0.08 -0.36 -0.09 0.00 -2.23 0.00 0.00 60.65 57.90 1htw s ILE 127 Cb 0.06 -0.76 -0.05 0.00 -1.58 0.00 0.00 42.46 40.13 1htw s ILE 127 CO 0.89 0.27 0.11 -0.76 -1.23 0.00 0.00 174.94 174.22 1htw s LEU 128 N 0.40 4.13 -0.42 2.97 1.43 -0.17 -1.67 118.68 125.34 1htw s LEU 128 Ca -0.07 0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 1htw s LEU 128 Cb -0.11 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.15 1htw s LEU 128 CO 0.01 0.21 0.24 -0.69 0.23 0.00 0.00 176.35 176.36 1htw s VAL 129 N 0.15 3.80 -0.33 -1.59 1.01 0.19 -0.48 120.40 123.15 1htw s VAL 129 Ca 0.08 -1.73 -0.15 0.00 0.00 0.00 0.00 61.98 60.18 1htw s VAL 129 Cb -0.11 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1htw s VAL 129 CO -0.01 -0.61 0.34 0.20 0.00 0.00 0.00 175.10 175.02 1htw s ASN 130 N 2.11 6.16 -0.28 3.32 0.01 0.26 -0.27 114.94 126.26 1htw s ASN 130 Ca 0.05 -0.16 -0.10 0.00 -0.71 0.00 0.00 52.86 51.93 1htw s ASN 130 Cb -0.24 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 1htw s ASN 130 CO -0.01 -0.28 0.16 -0.63 -1.51 0.00 0.00 177.10 174.83 1htw s ILE 131 N 1.97 4.98 0.16 0.60 1.01 -0.40 -0.66 121.20 128.86 1htw s ILE 131 Ca 0.11 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.80 1htw s ILE 131 Cb -0.16 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1htw s ILE 131 CO 0.11 0.22 0.01 -0.62 0.00 0.00 0.00 174.94 174.66 1htw s ASP 132 N 1.70 4.84 0.04 3.58 -1.08 0.05 -4.49 116.67 121.31 1htw s ASP 132 Ca 0.06 -0.36 -0.06 0.00 -0.52 0.00 0.00 52.55 51.68 1htw s ASP 132 Cb -0.16 -1.06 -0.01 0.00 -1.46 0.00 0.00 42.92 40.23 1htw s ASP 132 CO 0.09 0.10 0.10 -0.72 0.52 0.00 0.00 175.17 175.25 1htw s TYR 133 N -1.68 0.19 -0.28 -5.34 -0.85 -1.26 -1.27 117.35 106.85 1htw s TYR 133 Ca 0.27 -0.47 0.01 0.00 -0.52 0.00 0.00 57.07 56.36 1htw s TYR 133 Cb -0.10 -0.13 0.17 0.00 0.38 0.00 0.00 41.96 42.28 1htw s TYR 133 CO 0.19 -0.36 0.47 -0.47 -1.52 0.00 0.00 175.55 173.86 1htw s TYR 134 N -2.53 -1.25 0.00 -3.49 6.14 -1.01 -4.99 117.35 110.22 1htw s TYR 134 Ca -0.06 0.83 0.00 0.00 0.64 0.00 0.00 57.07 58.48 1htw s TYR 134 Cb -0.02 0.10 0.00 0.00 0.42 0.00 0.00 41.96 42.47 1htw s TYR 134 CO -0.04 -0.93 0.00 -0.25 0.64 0.00 0.00 175.55 174.97 1htw n ASP 135 N 5.38 0.00 0.00 4.32 8.00 -1.26 -1.25 116.55 131.74 1htw n ASP 135 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.64 1htw n ASP 135 Cb 0.51 0.00 0.68 0.00 -0.02 0.00 0.00 41.12 42.29 1htw n ASP 135 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1htw n ASP 136 N 2.13 0.00 -4.96 -2.24 5.75 -1.26 -4.89 116.55 111.08 1htw n ASP 136 Ca 0.00 -0.08 -0.22 0.00 -0.01 0.00 0.00 54.79 54.48 1htw n ASP 136 Cb 0.00 -0.29 0.01 0.00 -1.03 0.00 0.00 41.12 39.81 1htw n ASP 136 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1htw s ALA 137 N -2.59 3.82 0.15 2.12 0.00 -0.38 -4.60 121.76 120.28 1htw s ALA 137 Ca 0.25 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1htw s ALA 137 Cb 0.18 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 1htw s ALA 137 CO 0.42 -0.34 -0.06 1.03 0.00 0.00 0.00 175.76 176.81 1htw s ARG 138 N -4.51 1.06 -0.05 0.00 1.81 0.44 -2.42 118.95 115.28 1htw s ARG 138 Ca 0.48 -1.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.02 1htw s ARG 138 Cb -0.10 -0.44 0.02 0.00 -0.45 0.00 0.00 34.95 33.98 1htw s ARG 138 CO 0.37 -0.02 -0.03 1.21 -0.68 0.00 0.00 175.30 176.15 1htw s ASN 139 N -3.16 1.09 -0.01 0.23 2.47 -0.40 -1.17 114.94 113.99 1htw s ASN 139 Ca 0.19 -0.11 0.03 0.00 0.42 0.00 0.00 52.86 53.39 1htw s ASN 139 Cb 0.04 -0.43 -0.03 0.00 -1.45 0.00 0.00 41.25 39.38 1htw s ASN 139 CO 0.01 -0.10 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.57 1htw s ILE 140 N 1.21 3.46 -0.13 -5.21 1.09 0.11 -0.77 121.20 120.98 1htw s ILE 140 Ca -0.07 -0.76 0.01 0.00 -1.10 0.00 0.00 60.65 58.74 1htw s ILE 140 Cb -0.14 -2.46 0.02 0.00 -1.06 0.00 0.00 42.46 38.82 1htw s ILE 140 CO -0.02 0.46 -0.15 -0.70 -0.10 0.00 0.00 174.94 174.43 1htw s GLU 141 N -1.20 2.31 -0.20 2.79 2.12 0.16 -0.25 118.70 124.44 1htw s GLU 141 Ca 0.15 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 54.80 1htw s GLU 141 Cb -0.11 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.22 1htw s GLU 141 CO 0.05 -0.12 0.12 -0.51 -0.54 0.00 0.00 175.26 174.26 1htw s LEU 142 N 1.15 4.12 -0.12 2.70 1.43 0.06 -0.57 118.68 127.45 1htw s LEU 142 Ca -0.03 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 1htw s LEU 142 Cb -0.14 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1htw s LEU 142 CO -0.05 0.16 -0.23 -0.63 0.23 0.00 0.00 176.35 175.83 1htw s ILE 143 N 0.49 2.04 0.01 -0.59 1.01 0.36 -0.98 121.20 123.54 1htw s ILE 143 Ca 0.07 -0.98 -0.23 0.00 0.00 0.00 0.00 60.65 59.50 1htw s ILE 143 Cb -0.12 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 1htw s ILE 143 CO -0.00 0.55 0.70 0.00 0.00 0.00 0.00 174.94 176.18 1htw s ALA 144 N 0.60 3.40 -0.84 9.38 0.00 -0.60 -1.00 121.76 132.70 1htw s ALA 144 Ca -0.13 0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.10 1htw s ALA 144 Cb -0.17 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 1htw s ALA 144 CO 0.03 0.07 0.60 1.04 0.00 0.00 0.00 175.76 177.50 1htw n GLN 145 N 2.93 2.21 -4.22 0.00 6.02 -0.59 -4.26 117.38 119.47 1htw n GLN 145 Ca -0.04 -0.56 -0.13 0.00 -0.01 0.00 0.00 57.00 56.27 1htw n GLN 145 Cb 0.51 -1.06 -0.10 0.00 1.02 0.00 0.00 30.24 30.61 1htw n GLN 145 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1htw s THR 146 N -1.32 0.27 0.18 5.09 -4.23 -1.25 -5.00 115.64 109.37 1htw s THR 146 Ca 0.08 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.49 1htw s THR 146 Cb 0.08 -2.35 0.08 0.00 1.34 0.00 0.00 72.50 71.65 1htw s THR 146 CO 0.24 -0.20 1.78 -1.13 -0.54 0.00 0.00 174.62 174.76 1htw h ASN 147 N 2.64 0.33 -0.69 3.99 -1.24 -1.96 0.10 115.58 118.75 1htw h ASN 147 Ca -0.36 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1htw h ASN 147 Cb 1.23 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 40.22 1htw h ASN 147 CO 0.58 0.23 0.44 0.25 -1.29 0.00 0.00 177.43 177.64 1htw h LEU 148 N 0.47 0.81 -0.87 0.34 5.85 -1.96 -1.30 115.31 118.65 1htw h LEU 148 Ca 0.23 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1htw h LEU 148 Cb 0.17 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1htw h LEU 148 CO -0.18 0.61 0.54 1.23 -0.34 0.00 0.00 178.44 180.30 1htw h GLY 149 N 0.94 1.26 0.60 3.75 0.00 -1.48 -1.36 103.07 106.78 1htw h GLY 149 Ca 0.25 -0.51 0.07 0.00 0.00 0.00 0.00 47.33 47.14 1htw h GLY 149 CO -0.05 0.50 0.29 0.50 0.00 0.00 0.00 176.54 177.78 1htw h LYS 150 N 1.20 0.52 -0.46 4.80 1.57 -0.34 -0.78 116.57 123.09 1htw h LYS 150 Ca 0.31 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1htw h LYS 150 Cb -0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1htw h LYS 150 CO -0.06 0.35 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.24 1htw h ASN 151 N 0.54 0.73 -0.43 0.86 -0.26 -0.57 -1.19 115.58 115.27 1htw h ASN 151 Ca 0.28 -0.18 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1htw h ASN 151 Cb 0.24 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1htw h ASN 151 CO -0.22 0.81 0.19 0.40 -1.06 0.00 0.00 177.43 177.55 1htw h ILE 152 N 0.71 1.19 -0.47 2.81 2.04 -0.57 -2.36 117.51 120.86 1htw h ILE 152 Ca 0.14 -0.56 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 1htw h ILE 152 Cb 0.46 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1htw h ILE 152 CO 0.02 0.21 -0.10 0.40 0.00 0.00 0.00 178.15 178.68 1htw h ILE 153 N 0.54 1.26 0.00 -0.67 1.08 -0.95 -2.21 117.51 116.56 1htw h ILE 153 Ca 0.14 -1.18 -0.04 0.00 -0.39 0.00 0.00 64.86 63.39 1htw h ILE 153 Cb 0.15 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1htw h ILE 153 CO -0.02 0.41 -0.17 0.28 -0.69 0.00 0.00 178.15 177.96 1htw h SER 154 N 0.77 0.00 0.31 1.72 0.02 -0.92 -1.98 113.55 113.46 1htw h SER 154 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1htw h SER 154 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1htw h SER 154 CO 0.04 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.90 1htw n ALA 155 N -2.41 2.01 0.75 3.77 0.00 -0.83 -2.16 120.51 121.65 1htw n ALA 155 Ca -0.02 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1htw n ALA 155 Cb 0.25 -1.30 0.28 0.00 0.00 0.00 0.00 19.45 18.68 1htw n ALA 155 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1htw n PHE 156 N -1.26 0.35 -1.15 0.00 3.72 -0.74 -4.96 117.46 113.43 1htw n PHE 156 Ca 0.09 -0.17 -0.34 0.00 -0.05 0.00 0.00 57.45 56.98 1htw n PHE 156 Cb 0.14 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.79 1htw n PHE 156 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1htw n SER 157 N 0.97 0.47 -0.47 4.37 7.64 -0.92 -5.17 113.62 120.51 1htw n SER 157 Ca 0.18 0.58 0.14 0.00 1.01 0.00 0.00 58.87 60.78 1htw n SER 157 Cb 0.48 -1.44 0.54 0.00 -1.01 0.00 0.00 64.21 62.78 1htw n SER 157 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83