#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bet s MET 4 N 0.00 1.54 -0.15 1.61 1.00 -1.26 -4.98 119.30 117.05 2bet s MET 4 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 55.69 54.90 2bet s MET 4 Cb 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 34.83 33.47 2bet s MET 4 CO 0.00 0.18 1.14 0.50 0.00 0.00 0.00 175.02 176.83 2bet s ARG 5 N 0.16 4.30 -0.21 2.03 3.52 -1.26 -1.55 118.95 125.94 2bet s ARG 5 Ca -0.05 1.53 -0.00 0.00 -0.13 0.00 0.00 55.73 57.07 2bet s ARG 5 Cb -0.11 -3.64 0.06 0.00 -1.56 0.00 0.00 34.95 29.69 2bet s ARG 5 CO 0.02 -0.55 -0.03 0.08 -0.81 0.00 0.00 175.30 174.00 2bet s VAL 6 N 2.85 1.17 -0.14 7.11 1.01 -1.01 -1.31 120.40 130.09 2bet s VAL 6 Ca 0.51 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 2bet s VAL 6 Cb -0.20 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2bet s VAL 6 CO 0.14 -0.08 0.90 -0.31 0.00 0.00 0.00 175.10 175.76 2bet s TYR 7 N 1.57 3.47 -0.06 5.22 1.51 -0.82 -1.63 117.35 126.61 2bet s TYR 7 Ca -0.03 1.40 0.03 0.00 -1.01 0.00 0.00 57.07 57.46 2bet s TYR 7 Cb -0.18 -3.08 -0.03 0.00 -0.11 0.00 0.00 41.96 38.57 2bet s TYR 7 CO -0.07 -0.22 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.53 2bet s LEU 8 N 2.02 2.89 0.06 -1.29 1.02 -0.74 -1.51 118.68 121.12 2bet s LEU 8 Ca 0.43 -0.14 0.03 0.00 0.02 0.00 0.00 54.13 54.47 2bet s LEU 8 Cb -0.17 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 2bet s LEU 8 CO 0.15 0.35 -0.10 -0.83 0.02 0.00 0.00 176.35 175.94 2bet s GLY 9 N -0.74 0.65 -0.16 -3.19 0.00 -0.73 -1.22 107.32 101.93 2bet s GLY 9 Ca 0.11 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 2bet s GLY 9 CO 0.01 -0.93 0.92 0.00 0.00 0.00 0.00 173.10 173.10 2bet s ALA 10 N -1.49 -1.90 0.44 3.20 0.00 -0.79 -1.15 121.76 120.07 2bet s ALA 10 Ca -0.06 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.49 2bet s ALA 10 Cb -0.09 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.37 2bet s ALA 10 CO 0.01 -0.31 0.18 -0.40 0.00 0.00 0.00 175.76 175.23 2bet n ASP 11 N 1.06 0.24 -0.33 0.00 5.75 -1.19 -1.30 116.55 120.77 2bet n ASP 11 Ca -0.13 -1.20 0.11 0.00 -0.01 0.00 0.00 54.79 53.56 2bet n ASP 11 Cb 0.57 -0.11 0.32 0.00 -1.03 0.00 0.00 41.12 40.86 2bet n ASP 11 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 2bet h HIS 12 N -0.42 1.01 -0.06 2.11 2.07 -1.85 -1.10 115.15 116.91 2bet h HIS 12 Ca -0.06 0.03 -0.09 0.00 -2.85 0.00 0.00 60.37 57.40 2bet h HIS 12 Cb 0.22 -0.31 -0.01 0.00 2.57 0.00 0.00 27.41 29.87 2bet h HIS 12 CO 0.00 0.33 -0.38 0.00 -3.07 0.00 0.00 177.93 174.81 2bet h ALA 13 N 1.59 1.26 -0.36 6.11 0.00 -1.91 -2.95 119.26 123.00 2bet h ALA 13 Ca 0.51 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2bet h ALA 13 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2bet h ALA 13 CO -0.28 0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2bet n GLY 14 N -0.34 3.19 0.12 0.00 0.00 -1.01 -4.53 105.19 102.62 2bet n GLY 14 Ca -0.02 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 2bet n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bet h TYR 15 N 2.22 -0.18 -1.00 1.61 3.20 -1.03 -1.82 116.97 119.97 2bet h TYR 15 Ca 0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2bet h TYR 15 Cb 1.06 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 2bet h TYR 15 CO 0.39 0.19 0.66 0.93 -1.64 0.00 0.00 178.16 178.69 2bet h GLU 16 N -0.61 1.30 -0.17 1.82 4.39 -1.86 -2.03 114.58 117.42 2bet h GLU 16 Ca -0.02 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 2bet h GLU 16 Cb 0.46 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2bet h GLU 16 CO 0.03 0.86 -0.40 1.25 -1.16 0.00 0.00 179.01 179.59 2bet h LEU 17 N 1.34 0.42 -0.81 1.33 5.85 -1.89 -2.90 115.31 118.65 2bet h LEU 17 Ca 0.37 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2bet h LEU 17 Cb -0.12 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2bet h LEU 17 CO -0.09 0.78 0.30 0.50 -0.34 0.00 0.00 178.44 179.59 2bet h LYS 18 N 0.33 1.18 -0.42 1.25 3.64 -0.63 -1.17 116.57 120.75 2bet h LYS 18 Ca 0.03 -0.22 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 2bet h LYS 18 Cb 0.86 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2bet h LYS 18 CO 0.07 0.97 -0.13 1.96 -2.27 0.00 0.00 179.45 180.05 2bet h GLN 19 N 1.15 0.76 0.00 1.90 1.08 -1.34 -1.42 115.11 117.24 2bet h GLN 19 Ca 0.26 -0.26 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 2bet h GLN 19 Cb 0.24 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 2bet h GLN 19 CO -0.02 0.85 -0.37 0.00 -0.95 0.00 0.00 178.83 178.35 2bet h ARG 20 N 0.68 0.00 0.08 1.46 3.08 -1.29 -2.49 114.38 115.90 2bet h ARG 20 Ca 0.11 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.91 2bet h ARG 20 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2bet h ARG 20 CO 0.04 0.37 -1.15 0.82 -1.07 0.00 0.00 179.97 178.98 2bet h ILE 21 N 0.00 1.58 -0.49 2.04 2.04 -0.94 -2.36 117.51 119.38 2bet h ILE 21 Ca -0.00 -3.19 -0.07 0.00 1.00 0.00 0.00 64.86 62.60 2bet h ILE 21 Cb 1.00 2.90 -0.02 0.00 -0.74 0.00 0.00 36.82 39.96 2bet h ILE 21 CO 0.05 0.92 0.04 0.40 0.00 0.00 0.00 178.15 179.56 2bet h ILE 22 N 0.05 1.26 -0.58 -0.67 2.04 -1.18 -0.39 117.51 118.03 2bet h ILE 22 Ca -0.09 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 2bet h ILE 22 Cb 1.89 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 2bet h ILE 22 CO 0.18 0.35 0.25 -0.08 0.00 0.00 0.00 178.15 178.85 2bet h GLU 23 N 0.70 0.86 -0.42 2.37 4.81 -1.50 -2.28 114.58 119.13 2bet h GLU 23 Ca 0.14 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2bet h GLU 23 Cb 0.45 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2bet h GLU 23 CO 0.02 0.72 -0.20 1.25 -0.73 0.00 0.00 179.01 180.06 2bet h HIS 24 N 0.80 0.92 -0.14 0.92 2.76 -1.26 -2.75 115.15 116.41 2bet h HIS 24 Ca 0.20 -0.21 -0.15 0.00 -2.20 0.00 0.00 60.37 58.02 2bet h HIS 24 Cb 0.17 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 2bet h HIS 24 CO 0.00 0.95 -0.54 -0.07 -1.30 0.00 0.00 177.93 176.97 2bet h LEU 25 N 0.72 0.44 -0.57 0.26 3.38 -0.97 -2.61 115.31 115.97 2bet h LEU 25 Ca 0.10 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2bet h LEU 25 Cb 0.72 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2bet h LEU 25 CO 0.06 0.90 0.14 0.11 0.09 0.00 0.00 178.44 179.73 2bet h LYS 26 N 0.31 0.90 0.00 1.13 1.57 -1.32 -0.72 116.57 118.44 2bet h LYS 26 Ca 0.01 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2bet h LYS 26 Cb 1.05 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2bet h LYS 26 CO 0.09 0.84 0.00 1.04 -0.57 0.00 0.00 179.45 180.85 2bet n GLN 27 N -4.40 0.02 -0.46 3.15 6.02 -1.04 -3.04 117.38 117.63 2bet n GLN 27 Ca 0.03 0.11 0.08 0.00 -0.01 0.00 0.00 57.00 57.21 2bet n GLN 27 Cb 0.23 -1.53 0.25 0.00 1.02 0.00 0.00 30.24 30.21 2bet n GLN 27 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2bet n THR 28 N -1.56 2.30 -0.91 5.09 -2.24 -1.00 -4.97 114.28 110.98 2bet n THR 28 Ca 0.06 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 59.87 2bet n THR 28 Cb 0.28 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2bet n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bet n GLY 29 N -0.61 0.49 3.93 3.38 0.00 -1.17 -4.95 105.19 106.27 2bet n GLY 29 Ca 0.22 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 2bet n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bet s HIS 30 N -2.00 2.76 -0.57 1.61 3.76 -0.29 -4.22 115.29 116.34 2bet s HIS 30 Ca 0.00 -0.45 0.04 0.00 -0.15 0.00 0.00 55.06 54.50 2bet s HIS 30 Cb 0.00 -2.25 0.14 0.00 1.11 0.00 0.00 32.58 31.58 2bet s HIS 30 CO 0.00 -0.24 0.34 -2.00 -0.85 0.00 0.00 174.74 171.99 2bet s GLU 31 N -4.22 2.05 0.18 1.40 2.12 -0.60 -4.07 118.70 115.56 2bet s GLU 31 Ca 0.51 -2.79 -0.30 0.00 0.36 0.00 0.00 54.97 52.75 2bet s GLU 31 Cb -0.06 -3.22 -0.08 0.00 0.26 0.00 0.00 34.13 31.03 2bet s GLU 31 CO 0.30 -1.18 1.13 -1.25 -0.54 0.00 0.00 175.26 173.73 2bet s PRO 32 N -0.61 4.56 -0.20 4.30 0.04 -1.26 -2.40 135.00 139.43 2bet s PRO 32 Ca 0.20 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.03 2bet s PRO 32 Cb -0.18 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.13 2bet s PRO 32 CO -0.06 0.02 -0.14 0.42 0.04 0.00 0.00 177.00 177.28 2bet s ILE 33 N -0.19 1.91 -0.07 0.56 1.01 -0.65 -4.95 121.20 118.82 2bet s ILE 33 Ca 0.50 -1.11 -0.28 0.00 0.00 0.00 0.00 60.65 59.77 2bet s ILE 33 Cb -0.31 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 2bet s ILE 33 CO 0.36 0.27 0.91 -0.62 0.00 0.00 0.00 174.94 175.86 2bet s ASP 34 N 1.30 7.20 -0.02 3.58 3.68 -1.26 -1.79 116.67 129.35 2bet s ASP 34 Ca -0.00 1.46 0.15 0.00 2.13 0.00 0.00 52.55 56.29 2bet s ASP 34 Cb -0.16 -2.52 0.46 0.00 -1.45 0.00 0.00 42.92 39.26 2bet s ASP 34 CO -0.09 -0.31 1.39 0.00 0.13 0.00 0.00 175.17 176.28 2bet n GLY 36 N 0.87 0.33 3.77 0.00 0.00 -1.26 -4.84 105.19 104.06 2bet n GLY 36 Ca 0.17 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 2bet n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bet s ALA 37 N -2.59 3.16 -0.03 4.61 0.00 -0.42 -1.89 121.76 124.59 2bet s ALA 37 Ca 0.00 0.84 0.12 0.00 0.00 0.00 0.00 51.96 52.92 2bet s ALA 37 Cb 0.00 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 2bet s ALA 37 CO 0.00 -0.34 1.12 -0.07 0.00 0.00 0.00 175.76 176.46 2bet h LEU 38 N 2.74 0.00 -9.10 0.00 3.38 -1.91 -3.47 115.31 106.94 2bet h LEU 38 Ca -0.48 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.05 2bet h LEU 38 Cb 1.22 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 2bet h LEU 38 CO 0.63 0.79 -0.58 0.00 0.09 0.00 0.00 178.44 179.37 2bet s ARG 39 N -2.79 1.62 -0.37 1.13 1.70 -1.26 -5.12 118.95 113.86 2bet s ARG 39 Ca -0.00 -1.92 -0.28 0.00 -0.47 0.00 0.00 55.73 53.07 2bet s ARG 39 Cb 0.09 -0.45 0.02 0.00 -0.57 0.00 0.00 34.95 34.03 2bet s ARG 39 CO 0.80 -0.34 1.02 -0.47 -1.08 0.00 0.00 175.30 175.24 2bet s TYR 40 N -3.50 3.06 -0.24 5.89 5.04 -1.26 -4.93 117.35 121.42 2bet s TYR 40 Ca 0.34 0.94 0.01 0.00 -2.44 0.00 0.00 57.07 55.92 2bet s TYR 40 Cb 0.06 -3.80 0.06 0.00 0.35 0.00 0.00 41.96 38.63 2bet s TYR 40 CO 0.15 -0.88 -0.07 0.34 -1.34 0.00 0.00 175.55 173.76 2bet s ASP 41 N 1.89 3.93 0.63 4.32 -1.08 -1.26 -5.03 116.67 120.07 2bet s ASP 41 Ca 0.43 -1.19 0.36 0.00 -0.52 0.00 0.00 52.55 51.63 2bet s ASP 41 Cb -0.11 -1.25 2.04 0.00 -1.46 0.00 0.00 42.92 42.14 2bet s ASP 41 CO 0.20 -0.22 2.24 0.00 0.52 0.00 0.00 175.17 177.91 2bet h ALA 42 N 7.92 1.33 -0.14 3.66 0.00 -1.96 -2.70 119.26 127.38 2bet h ALA 42 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2bet h ALA 42 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2bet h ALA 42 CO 0.43 -0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 2bet n ASP 43 N -3.39 2.26 -4.71 0.00 8.00 -1.26 -4.91 116.55 112.54 2bet n ASP 43 Ca -0.02 -1.66 -0.29 0.00 0.71 0.00 0.00 54.79 53.53 2bet n ASP 43 Cb 0.16 -0.09 0.15 0.00 -0.02 0.00 0.00 41.12 41.32 2bet n ASP 43 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2bet s ASP 44 N -0.92 3.22 -0.12 -2.24 1.47 -1.02 -5.04 116.67 112.03 2bet s ASP 44 Ca 0.16 1.35 0.01 0.00 1.18 0.00 0.00 52.55 55.25 2bet s ASP 44 Cb 0.10 -2.03 -0.01 0.00 -0.34 0.00 0.00 42.92 40.64 2bet s ASP 44 CO 0.14 -2.78 -0.14 -1.81 0.68 0.00 0.00 175.17 171.26 2bet s ASP 45 N -3.48 3.93 0.25 2.11 1.01 -1.26 -4.72 116.67 114.51 2bet s ASP 45 Ca 0.64 -0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.57 2bet s ASP 45 Cb -0.18 -1.51 0.31 0.00 1.01 0.00 0.00 42.92 42.55 2bet s ASP 45 CO 0.57 0.18 1.66 0.10 0.21 0.00 0.00 175.17 177.89 2bet h TYR 46 N 6.56 0.61 -0.74 4.23 -0.00 -1.96 -3.37 116.97 122.31 2bet h TYR 46 Ca -0.27 -0.15 0.15 0.00 0.00 0.00 0.00 58.73 58.46 2bet h TYR 46 Cb 1.21 -0.14 -0.10 0.00 0.00 0.00 0.00 36.73 37.70 2bet h TYR 46 CO 0.50 0.79 0.24 -1.35 -0.00 0.00 0.00 178.16 178.33 2bet h PRO 47 N 0.46 0.34 -0.80 0.10 0.11 -1.96 -1.89 132.00 128.35 2bet h PRO 47 Ca 0.05 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 2bet h PRO 47 Cb 0.78 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.78 2bet h PRO 47 CO 0.06 0.22 0.32 0.00 -0.21 0.00 0.00 178.00 178.40 2bet h ALA 48 N 1.57 1.04 -0.16 -0.75 0.00 -2.00 -0.92 119.26 118.05 2bet h ALA 48 Ca 0.41 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2bet h ALA 48 Cb 0.67 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bet h ALA 48 CO -0.45 0.66 -0.40 0.74 0.00 0.00 0.00 179.25 179.80 2bet h PHE 49 N 1.16 0.42 0.11 0.00 -1.00 -1.59 -2.20 116.94 113.85 2bet h PHE 49 Ca 0.27 -0.12 -0.27 0.00 2.81 0.00 0.00 57.97 60.66 2bet h PHE 49 Cb 0.21 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.67 2bet h PHE 49 CO 0.02 0.71 -1.23 0.00 -1.61 0.00 0.00 178.31 176.20 2bet h ILE 51 N 0.06 1.33 -0.15 0.00 2.04 -1.17 -1.94 117.51 117.67 2bet h ILE 51 Ca -0.12 -1.70 -0.07 0.00 1.00 0.00 0.00 64.86 63.97 2bet h ILE 51 Cb 1.95 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 39.77 2bet h ILE 51 CO 0.19 0.52 -0.16 0.00 0.00 0.00 0.00 178.15 178.70 2bet h ALA 52 N 1.16 0.22 -0.28 1.87 0.00 -1.43 -0.99 119.26 119.81 2bet h ALA 52 Ca 0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2bet h ALA 52 Cb 0.97 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2bet h ALA 52 CO 0.08 0.12 -0.25 0.00 0.00 0.00 0.00 179.25 179.20 2bet h ALA 53 N 0.60 1.04 0.12 0.00 0.00 -1.50 -2.39 119.26 117.13 2bet h ALA 53 Ca 0.02 -0.36 -0.28 0.00 0.00 0.00 0.00 54.91 54.29 2bet h ALA 53 Cb 0.70 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.38 2bet h ALA 53 CO 0.04 0.58 -1.22 0.00 0.00 0.00 0.00 179.25 178.65 2bet h ALA 54 N 1.25 0.07 -0.73 0.00 0.00 -1.37 -2.51 119.26 115.96 2bet h ALA 54 Ca 0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 2bet h ALA 54 Cb 0.70 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2bet h ALA 54 CO 0.05 0.79 0.27 1.15 0.00 0.00 0.00 179.25 181.52 2bet h THR 55 N 0.19 1.25 -0.08 0.00 2.02 -1.14 -2.31 112.91 112.85 2bet h THR 55 Ca -0.16 -0.83 -0.21 0.00 0.77 0.00 0.00 66.41 65.98 2bet h THR 55 Cb 1.91 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2bet h THR 55 CO 0.22 0.33 -0.82 0.03 0.37 0.00 0.00 175.52 175.65 2bet h ARG 56 N 1.06 0.55 -0.89 6.66 3.08 -1.50 -2.54 114.38 120.81 2bet h ARG 56 Ca 0.24 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2bet h ARG 56 Cb 0.24 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 2bet h ARG 56 CO -0.02 1.12 0.57 1.15 -1.07 0.00 0.00 179.97 181.72 2bet h THR 57 N 0.36 1.24 -0.11 2.04 2.02 -1.34 -2.17 112.91 114.95 2bet h THR 57 Ca -0.06 -0.48 -0.19 0.00 0.77 0.00 0.00 66.41 66.46 2bet h THR 57 Cb 1.43 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2bet h THR 57 CO 0.15 0.24 -0.71 0.58 0.37 0.00 0.00 175.52 176.16 2bet h VAL 58 N 1.22 1.35 0.00 3.16 2.07 -1.39 -2.99 116.25 119.66 2bet h VAL 58 Ca 0.32 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.80 2bet h VAL 58 Cb -0.10 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2bet h VAL 58 CO -0.07 0.63 0.00 0.00 0.02 0.00 0.00 177.57 178.15 2bet n ALA 59 N -2.53 2.48 -3.57 1.67 0.00 -0.96 -4.23 120.51 113.37 2bet n ALA 59 Ca -0.05 -0.15 -0.27 0.00 0.00 0.00 0.00 53.44 52.98 2bet n ALA 59 Cb 0.70 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 2bet n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bet n ASP 60 N -1.22 2.08 -4.65 0.00 2.03 -0.83 -5.07 116.55 108.89 2bet n ASP 60 Ca 0.16 -3.02 -0.46 0.00 0.52 0.00 0.00 54.79 51.98 2bet n ASP 60 Cb 0.20 -0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 39.90 2bet n ASP 60 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2bet n PRO 61 N 1.77 1.81 -0.01 -0.67 -0.02 -1.26 -1.93 135.00 134.69 2bet n PRO 61 Ca 0.25 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2bet n PRO 61 Cb 0.42 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2bet n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bet n GLY 62 N 2.32 0.38 3.93 -1.23 0.00 -1.26 -5.07 105.19 104.26 2bet n GLY 62 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2bet n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bet s SER 63 N -2.33 6.26 0.47 1.61 1.04 -0.81 -4.72 113.70 115.22 2bet s SER 63 Ca 0.00 0.59 0.01 0.00 0.48 0.00 0.00 55.95 57.02 2bet s SER 63 Cb 0.00 -2.07 0.01 0.00 0.10 0.00 0.00 66.02 64.05 2bet s SER 63 CO 0.00 -0.40 0.04 0.18 0.98 0.00 0.00 173.24 174.04 2bet n LEU 64 N -1.95 0.00 -3.61 2.42 4.77 -0.43 -4.90 117.00 113.30 2bet n LEU 64 Ca -0.03 -2.86 -0.16 0.00 -0.03 0.00 0.00 56.01 52.93 2bet n LEU 64 Cb 0.56 0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.86 2bet n LEU 64 CO 0.50 -0.43 0.30 -0.83 -1.33 0.00 0.00 177.39 175.60 2bet s GLY 65 N -3.59 -0.44 -0.06 -0.72 0.00 0.87 -1.95 107.32 101.42 2bet s GLY 65 Ca 0.03 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.92 2bet s GLY 65 CO 0.02 0.87 -0.05 -0.42 0.00 0.00 0.00 173.10 173.53 2bet s ILE 66 N -0.86 0.64 -0.08 0.90 1.01 -0.57 -2.09 121.20 120.14 2bet s ILE 66 Ca -0.09 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.47 2bet s ILE 66 Cb -0.02 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 2bet s ILE 66 CO 0.06 0.27 -0.18 0.68 0.00 0.00 0.00 174.94 175.78 2bet s VAL 67 N 1.29 2.71 -0.03 2.92 -7.23 -0.74 -1.77 120.40 117.55 2bet s VAL 67 Ca -0.05 -0.82 0.06 0.00 -1.81 0.00 0.00 61.98 59.36 2bet s VAL 67 Cb -0.14 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 2bet s VAL 67 CO -0.02 0.56 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.35 2bet s LEU 68 N -0.20 2.03 0.00 1.32 2.01 -0.30 -2.01 118.68 121.53 2bet s LEU 68 Ca -0.01 -0.42 0.00 0.00 0.01 0.00 0.00 54.13 53.71 2bet s LEU 68 Cb -0.13 -1.18 0.00 0.00 0.01 0.00 0.00 46.19 44.89 2bet s LEU 68 CO 0.03 0.25 0.00 0.61 1.01 0.00 0.00 176.35 178.26 2bet n GLY 69 N 2.70 4.85 0.06 -3.19 0.00 -1.04 -3.19 105.19 105.37 2bet n GLY 69 Ca -0.16 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 2bet n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bet h GLY 70 N 0.00 -0.01 0.00 -0.02 0.00 -1.85 -1.65 103.07 99.54 2bet h GLY 70 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2bet h GLY 70 CO 0.00 -0.01 -1.63 -1.14 0.00 0.00 0.00 176.54 173.77 2bet n SER 71 N -4.74 0.59 0.00 0.19 3.41 -1.26 -2.31 113.62 109.50 2bet n SER 71 Ca -0.03 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 2bet n SER 71 Cb 0.15 1.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 2bet n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bet n GLY 72 N 1.40 0.86 0.14 5.00 0.00 -1.26 -3.37 105.19 107.95 2bet n GLY 72 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2bet n GLY 72 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bet h ASN 73 N 0.00 0.50 -0.14 1.61 2.35 -1.94 -2.74 115.58 115.22 2bet h ASN 73 Ca 0.00 -0.95 -0.01 0.00 -0.55 0.00 0.00 56.30 54.79 2bet h ASN 73 Cb 0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2bet h ASN 73 CO 0.00 1.83 0.06 1.23 -1.65 0.00 0.00 177.43 178.90 2bet h GLY 74 N 0.88 0.28 0.71 2.83 0.00 -1.99 -2.36 103.07 103.42 2bet h GLY 74 Ca -0.39 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 2bet h GLY 74 CO 0.13 0.12 -0.45 0.83 0.00 0.00 0.00 176.54 177.16 2bet h GLU 75 N 0.27 0.36 -0.39 4.80 3.07 -1.94 -2.33 114.58 118.42 2bet h GLU 75 Ca 0.07 -0.35 -0.08 0.00 -0.50 0.00 0.00 59.36 58.50 2bet h GLU 75 Cb 0.08 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 2bet h GLU 75 CO -0.01 1.01 -0.09 -0.56 -1.40 0.00 0.00 179.01 177.96 2bet h GLN 76 N -0.17 0.67 -0.68 2.33 -0.00 -1.47 -1.97 115.11 113.82 2bet h GLN 76 Ca -0.05 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.65 58.39 2bet h GLN 76 Cb 1.15 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.48 28.53 2bet h GLN 76 CO 0.09 0.75 0.37 0.82 -0.00 0.00 0.00 178.83 180.86 2bet h ILE 77 N 0.61 1.21 -0.36 1.86 2.04 -1.41 -1.80 117.51 119.67 2bet h ILE 77 Ca 0.11 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 2bet h ILE 77 Cb 0.52 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2bet h ILE 77 CO 0.03 0.23 -0.04 0.00 0.00 0.00 0.00 178.15 178.37 2bet h ALA 78 N 1.18 0.49 -0.02 1.87 0.00 -1.19 -3.07 119.26 118.52 2bet h ALA 78 Ca 0.24 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2bet h ALA 78 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2bet h ALA 78 CO -0.04 0.31 -0.31 0.00 0.00 0.00 0.00 179.25 179.20 2bet h ALA 79 N 0.84 1.44 0.00 0.00 0.00 -1.22 -2.65 119.26 117.67 2bet h ALA 79 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2bet h ALA 79 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2bet h ALA 79 CO 0.03 0.41 0.00 -0.91 0.00 0.00 0.00 179.25 178.78 2bet h ASN 80 N 0.04 0.00 1.22 0.00 2.35 -1.24 -2.72 115.58 115.23 2bet h ASN 80 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2bet h ASN 80 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2bet h ASN 80 CO 0.04 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.93 2bet h LYS 81 N 0.00 0.00 -6.34 0.81 1.79 -1.40 -3.44 116.57 107.99 2bet h LYS 81 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2bet h LYS 81 Cb 0.66 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 2bet h LYS 81 CO 0.00 0.00 0.80 0.08 -1.08 0.00 0.00 179.45 179.25 2bet s VAL 82 N -3.55 3.91 0.18 0.50 1.01 -1.03 -4.97 120.40 116.44 2bet s VAL 82 Ca 0.03 1.26 -0.33 0.00 0.00 0.00 0.00 61.98 62.93 2bet s VAL 82 Cb 0.08 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 32.51 2bet s VAL 82 CO 0.56 -0.01 1.54 -2.65 0.00 0.00 0.00 175.10 174.55 2bet n PRO 83 N 5.45 2.12 -0.32 2.72 -0.02 -1.26 -2.20 135.00 141.48 2bet n PRO 83 Ca 0.13 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2bet n PRO 83 Cb 0.44 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2bet n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bet n GLY 84 N 3.15 1.25 3.87 -1.23 0.00 -1.26 -4.99 105.19 105.98 2bet n GLY 84 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2bet n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bet s ALA 85 N -2.92 3.81 -0.22 4.61 0.00 -0.94 -4.95 121.76 121.15 2bet s ALA 85 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 2bet s ALA 85 Cb 0.00 -2.14 0.07 0.00 0.00 0.00 0.00 23.12 21.05 2bet s ALA 85 CO 0.00 0.61 0.06 1.03 0.00 0.00 0.00 175.76 177.46 2bet s ARG 86 N -1.67 0.56 -0.26 0.00 0.52 -1.26 -4.78 118.95 112.06 2bet s ARG 86 Ca 0.27 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 55.00 2bet s ARG 86 Cb -0.14 -1.97 0.05 0.00 0.52 0.00 0.00 34.95 33.42 2bet s ARG 86 CO 0.15 -0.74 -0.10 0.00 0.02 0.00 0.00 175.30 174.63 2bet s ALA 88 N 1.14 3.42 -0.40 0.00 0.00 -0.91 -4.86 121.76 120.14 2bet s ALA 88 Ca -0.07 -0.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.43 2bet s ALA 88 Cb -0.19 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.33 2bet s ALA 88 CO -0.05 0.15 0.73 -1.17 0.00 0.00 0.00 175.76 175.41 2bet s LEU 89 N -3.55 4.25 -0.38 0.00 2.96 -1.26 -0.77 118.68 119.93 2bet s LEU 89 Ca 0.50 0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 54.27 2bet s LEU 89 Cb -0.10 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.69 2bet s LEU 89 CO 0.28 -0.77 0.54 0.00 -1.32 0.00 0.00 176.35 175.09 2bet s ALA 90 N 3.03 3.43 -0.34 5.97 0.00 -0.61 -4.90 121.76 128.35 2bet s ALA 90 Ca 0.28 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2bet s ALA 90 Cb -0.13 -3.11 0.10 0.00 0.00 0.00 0.00 23.12 19.98 2bet s ALA 90 CO 0.19 -1.43 1.06 -2.67 0.00 0.00 0.00 175.76 172.91 2bet n TRP 91 N 5.88 0.15 -3.78 0.00 4.27 -1.26 -4.53 117.44 118.17 2bet n TRP 91 Ca -0.04 -0.47 -0.04 0.00 -3.89 0.00 0.00 57.50 53.06 2bet n TRP 91 Cb 0.48 -0.04 -0.01 0.00 -1.36 0.00 0.00 31.31 30.39 2bet n TRP 91 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2bet s SER 92 N -0.96 -0.15 0.28 -0.67 1.04 -1.26 -5.03 113.70 106.95 2bet s SER 92 Ca 0.08 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2bet s SER 92 Cb 0.04 0.52 0.40 0.00 0.10 0.00 0.00 66.02 67.09 2bet s SER 92 CO 0.05 -0.98 1.77 0.58 0.98 0.00 0.00 173.24 175.65 2bet h VAL 93 N 2.00 1.24 -0.21 5.02 2.07 -1.91 -2.26 116.25 122.20 2bet h VAL 93 Ca -0.24 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.16 2bet h VAL 93 Cb 1.23 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2bet h VAL 93 CO 0.27 0.35 -0.26 -0.61 0.02 0.00 0.00 177.57 177.33 2bet h GLN 94 N 0.62 0.54 0.00 1.57 4.15 -1.97 -2.33 115.11 117.69 2bet h GLN 94 Ca 0.12 -0.31 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 2bet h GLN 94 Cb 0.48 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2bet h GLN 94 CO 0.02 0.90 -0.33 1.79 -1.93 0.00 0.00 178.83 179.29 2bet h THR 95 N 0.22 0.79 -0.28 2.39 1.35 -1.94 -0.70 112.91 114.74 2bet h THR 95 Ca 0.03 -1.40 -0.12 0.00 -0.55 0.00 0.00 66.41 64.36 2bet h THR 95 Cb 0.83 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2bet h THR 95 CO 0.06 0.32 -0.30 0.00 -0.25 0.00 0.00 175.52 175.35 2bet h ALA 96 N 1.67 0.41 -0.10 6.62 0.00 -1.36 -2.13 119.26 124.37 2bet h ALA 96 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 2bet h ALA 96 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2bet h ALA 96 CO 0.04 0.44 -0.24 0.00 0.00 0.00 0.00 179.25 179.49 2bet h ALA 97 N 0.69 0.17 -0.23 0.00 0.00 -1.24 -3.13 119.26 115.52 2bet h ALA 97 Ca 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2bet h ALA 97 Cb 0.88 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2bet h ALA 97 CO 0.07 0.15 0.10 -0.07 0.00 0.00 0.00 179.25 179.50 2bet h LEU 98 N -0.10 0.28 -0.63 0.00 3.38 -1.21 -0.38 115.31 116.65 2bet h LEU 98 Ca -0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2bet h LEU 98 Cb 0.84 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2bet h LEU 98 CO 0.05 0.26 0.41 0.00 0.09 0.00 0.00 178.44 179.25 2bet h ALA 99 N 1.79 0.81 -0.12 1.53 0.00 -1.33 -0.74 119.26 121.19 2bet h ALA 99 Ca 0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2bet h ALA 99 Cb 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2bet h ALA 99 CO -0.01 0.20 -0.22 0.00 0.00 0.00 0.00 179.25 179.22 2bet h ARG 100 N 0.82 0.37 -0.12 0.00 2.47 -1.32 -1.61 114.38 114.99 2bet h ARG 100 Ca 0.24 -0.23 -0.06 0.00 -1.26 0.00 0.00 59.98 58.67 2bet h ARG 100 Cb -0.06 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2bet h ARG 100 CO -0.07 0.82 -0.16 0.93 0.56 0.00 0.00 179.97 182.05 2bet h GLU 101 N -0.05 0.32 0.01 0.04 5.08 -0.96 -3.03 114.58 116.00 2bet h GLU 101 Ca 0.01 -0.18 -0.37 0.00 -1.00 0.00 0.00 59.36 57.81 2bet h GLU 101 Cb 0.80 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 2bet h GLU 101 CO 0.05 0.75 -2.10 0.72 -1.00 0.00 0.00 179.01 177.43 2bet n HIS 102 N -4.56 0.45 0.76 4.33 8.25 -0.30 -3.27 115.22 120.88 2bet n HIS 102 Ca -0.07 0.16 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 2bet n HIS 102 Cb 0.37 -1.05 0.14 0.00 1.12 0.00 0.00 29.99 30.57 2bet n HIS 102 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2bet n ASN 103 N -4.07 0.62 -4.02 0.41 5.03 -1.06 -4.79 115.26 107.37 2bet n ASN 103 Ca -0.44 -0.20 -0.32 0.00 0.87 0.00 0.00 54.58 54.49 2bet n ASN 103 Cb 0.86 0.45 0.01 0.00 -1.02 0.00 0.00 39.78 40.07 2bet n ASN 103 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2bet n ASN 104 N -1.79 -4.05 -4.63 6.41 5.15 -0.71 -4.87 115.26 110.75 2bet n ASN 104 Ca 0.04 -0.87 -0.43 0.00 -0.60 0.00 0.00 54.58 52.72 2bet n ASN 104 Cb 0.39 -3.47 -0.02 0.00 -0.53 0.00 0.00 39.78 36.15 2bet n ASN 104 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bet s ALA 105 N -3.33 3.34 0.03 5.20 0.00 -0.69 -4.87 121.76 121.45 2bet s ALA 105 Ca 0.65 0.42 0.31 0.00 0.00 0.00 0.00 51.96 53.35 2bet s ALA 105 Cb -0.34 -3.81 1.17 0.00 0.00 0.00 0.00 23.12 20.14 2bet s ALA 105 CO 0.87 -1.82 1.91 1.96 0.00 0.00 0.00 175.76 178.68 2bet h GLN 106 N 10.16 0.00 -5.21 0.00 7.50 -1.84 -3.43 115.11 122.29 2bet h GLN 106 Ca -0.32 0.00 -0.38 0.00 0.50 0.00 0.00 58.65 58.45 2bet h GLN 106 Cb 1.14 0.00 -0.20 0.00 0.05 0.00 0.00 27.48 28.47 2bet h GLN 106 CO 1.00 0.03 -0.76 -0.51 -1.50 0.00 0.00 178.83 177.09 2bet s LEU 107 N -6.25 2.35 0.03 1.46 1.02 -1.12 -0.09 118.68 116.07 2bet s LEU 107 Ca 0.02 -0.72 0.04 0.00 0.02 0.00 0.00 54.13 53.49 2bet s LEU 107 Cb 0.08 -0.44 -0.02 0.00 0.02 0.00 0.00 46.19 45.83 2bet s LEU 107 CO 0.57 -0.15 -0.12 0.27 0.02 0.00 0.00 176.35 176.94 2bet s ILE 108 N -1.84 0.91 -0.03 -0.59 -4.36 -0.89 -2.14 121.20 112.26 2bet s ILE 108 Ca 0.02 -0.91 -0.11 0.00 -0.26 0.00 0.00 60.65 59.39 2bet s ILE 108 Cb -0.07 -0.85 -0.05 0.00 1.25 0.00 0.00 42.46 42.75 2bet s ILE 108 CO 0.02 -0.06 0.30 -0.83 0.24 0.00 0.00 174.94 174.62 2bet s GLY 109 N -1.09 2.34 -0.03 6.27 0.00 0.05 -1.78 107.32 113.07 2bet s GLY 109 Ca -0.01 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.33 2bet s GLY 109 CO 0.01 -0.12 -0.13 -0.42 0.00 0.00 0.00 173.10 172.44 2bet s ILE 110 N -1.12 1.04 -0.38 0.90 1.01 -0.85 -1.57 121.20 120.23 2bet s ILE 110 Ca 0.22 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 2bet s ILE 110 Cb -0.14 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.43 2bet s ILE 110 CO 0.11 0.31 0.57 -0.83 0.00 0.00 0.00 174.94 175.10 2bet s GLY 111 N 0.01 1.78 0.47 6.18 0.00 -1.22 -2.50 107.32 112.05 2bet s GLY 111 Ca -0.01 -1.05 0.19 0.00 0.00 0.00 0.00 44.72 43.85 2bet s GLY 111 CO 0.01 1.38 2.01 -1.33 0.00 0.00 0.00 173.10 175.18 2bet h GLY 112 N 9.31 0.00 2.00 0.20 0.00 -1.18 -2.48 103.07 110.92 2bet h GLY 112 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2bet h GLY 112 CO 0.82 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.90 2bet n ARG 113 N -4.05 0.03 -0.02 4.80 1.74 -0.98 -3.95 116.66 114.23 2bet n ARG 113 Ca -0.02 0.10 -0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2bet n ARG 113 Cb 0.25 -1.54 -0.13 0.00 -1.02 0.00 0.00 32.46 30.02 2bet n ARG 113 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2bet n MET 114 N -1.59 0.65 -4.46 5.56 2.81 -0.93 -4.99 117.12 114.18 2bet n MET 114 Ca 0.06 0.04 -0.22 0.00 -1.81 0.00 0.00 57.70 55.77 2bet n MET 114 Cb 0.29 -1.65 -0.10 0.00 -0.71 0.00 0.00 33.22 31.05 2bet n MET 114 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2bet s HIS 115 N -2.94 2.03 0.93 2.03 3.76 -1.24 -5.11 115.29 114.74 2bet s HIS 115 Ca -0.06 -0.73 -0.14 0.00 -0.15 0.00 0.00 55.06 53.97 2bet s HIS 115 Cb 0.09 -1.22 0.16 0.00 1.11 0.00 0.00 32.58 32.72 2bet s HIS 115 CO 0.84 0.27 1.22 0.95 -0.85 0.00 0.00 174.74 177.17 2bet s THR 116 N -3.01 1.96 0.15 1.30 -4.23 -1.26 -4.90 115.64 105.65 2bet s THR 116 Ca 0.31 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.71 2bet s THR 116 Cb 0.05 -2.91 0.01 0.00 1.34 0.00 0.00 72.50 71.00 2bet s THR 116 CO 0.13 0.00 1.58 0.58 -0.54 0.00 0.00 174.62 176.37 2bet h VAL 117 N -1.52 1.27 -0.60 2.29 2.07 -1.99 -2.03 116.25 115.74 2bet h VAL 117 Ca -0.46 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 65.80 2bet h VAL 117 Cb 1.29 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2bet h VAL 117 CO 0.51 0.41 0.04 0.00 0.02 0.00 0.00 177.57 178.54 2bet h ALA 118 N 0.91 0.80 -0.63 1.67 0.00 -1.99 -1.90 119.26 118.11 2bet h ALA 118 Ca 0.13 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2bet h ALA 118 Cb 0.60 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2bet h ALA 118 CO 0.04 0.61 0.13 0.93 0.00 0.00 0.00 179.25 180.96 2bet h GLU 119 N 0.93 1.02 -0.17 0.00 5.08 -1.93 -2.04 114.58 117.48 2bet h GLU 119 Ca 0.17 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2bet h GLU 119 Cb 0.51 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2bet h GLU 119 CO 0.02 0.94 -0.39 0.00 -1.00 0.00 0.00 179.01 178.58 2bet h ALA 120 N 1.04 1.02 0.00 3.43 0.00 -1.19 -2.52 119.26 121.05 2bet h ALA 120 Ca 0.20 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 2bet h ALA 120 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2bet h ALA 120 CO 0.01 0.60 -0.72 -0.07 0.00 0.00 0.00 179.25 179.07 2bet h LEU 121 N 0.32 0.00 -0.78 0.00 3.38 -1.25 -2.54 115.31 114.44 2bet h LEU 121 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2bet h LEU 121 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2bet h LEU 121 CO 0.07 0.72 -0.38 0.00 0.09 0.00 0.00 178.44 178.94 2bet h ALA 122 N 1.28 0.95 -0.60 1.53 0.00 -1.22 -1.53 119.26 119.67 2bet h ALA 122 Ca -0.01 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 2bet h ALA 122 Cb 1.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2bet h ALA 122 CO 0.09 0.62 0.00 0.82 0.00 0.00 0.00 179.25 180.79 2bet h ILE 123 N 0.39 1.27 -0.58 0.00 2.04 -1.34 -2.56 117.51 116.73 2bet h ILE 123 Ca 0.04 -1.15 -0.09 0.00 1.00 0.00 0.00 64.86 64.66 2bet h ILE 123 Cb 0.85 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2bet h ILE 123 CO 0.07 0.42 0.01 0.58 0.00 0.00 0.00 178.15 179.23 2bet h VAL 124 N 0.95 1.26 -0.53 1.67 2.07 -1.26 -2.33 116.25 118.08 2bet h VAL 124 Ca 0.17 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2bet h VAL 124 Cb 0.56 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2bet h VAL 124 CO 0.03 0.40 0.26 0.44 0.02 0.00 0.00 177.57 178.72 2bet h ASP 125 N 0.92 0.70 -0.24 0.57 3.32 -1.17 -2.31 116.42 118.20 2bet h ASP 125 Ca 0.17 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2bet h ASP 125 Cb 0.52 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2bet h ASP 125 CO 0.03 0.64 -0.05 0.00 -1.72 0.00 0.00 179.24 178.13 2bet h ALA 126 N 1.09 1.24 -0.24 3.45 0.00 -1.34 -2.79 119.26 120.67 2bet h ALA 126 Ca 0.18 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2bet h ALA 126 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2bet h ALA 126 CO -0.02 0.50 -0.44 0.35 0.00 0.00 0.00 179.25 179.64 2bet h PHE 127 N 0.56 0.90 0.00 0.00 3.57 -1.09 -2.50 116.94 118.37 2bet h PHE 127 Ca 0.11 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2bet h PHE 127 Cb 0.43 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2bet h PHE 127 CO 0.02 1.10 -0.42 1.33 -2.23 0.00 0.00 178.31 178.11 2bet n VAL 128 N -4.17 0.20 -0.02 1.41 0.24 -0.90 -4.14 118.33 110.95 2bet n VAL 128 Ca -0.05 -0.14 0.02 0.00 -2.04 0.00 0.00 64.34 62.13 2bet n VAL 128 Cb 0.56 -0.10 -0.09 0.00 -1.47 0.00 0.00 33.84 32.73 2bet n VAL 128 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bet n THR 129 N -1.82 0.26 -2.47 3.34 -2.24 -1.05 -4.95 114.28 105.34 2bet n THR 129 Ca 0.05 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 2bet n THR 129 Cb 0.39 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 2bet n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bet s THR 130 N -2.67 4.25 0.49 4.28 2.01 -0.94 -5.03 115.64 118.03 2bet s THR 130 Ca -0.05 1.59 -0.13 0.00 0.31 0.00 0.00 61.69 63.41 2bet s THR 130 Cb 0.06 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 68.49 2bet s THR 130 CO 0.50 0.03 0.90 -2.16 -0.69 0.00 0.00 174.62 173.21 2bet s PRO 131 N 1.88 3.82 -0.07 4.92 0.04 -1.26 -4.84 135.00 139.48 2bet s PRO 131 Ca 0.56 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 2bet s PRO 131 Cb -0.25 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2bet s PRO 131 CO 0.24 -0.22 1.32 -0.46 0.04 0.00 0.00 177.00 177.91 2bet s TRP 132 N -2.62 2.88 0.27 0.56 -0.00 -1.26 -3.91 118.94 114.87 2bet s TRP 132 Ca 0.55 0.95 0.17 0.00 -0.00 0.00 0.00 56.10 57.77 2bet s TRP 132 Cb -0.10 -3.56 0.73 0.00 -0.00 0.00 0.00 33.47 30.54 2bet s TRP 132 CO 0.35 -1.98 1.78 0.66 -0.00 0.00 0.00 176.95 177.77 2bet h SER 133 N 7.97 0.00 -0.46 5.86 4.64 -1.73 -3.47 113.55 126.37 2bet h SER 133 Ca -0.33 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.79 2bet h SER 133 Cb 1.15 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.16 2bet h SER 133 CO 0.92 0.38 -0.18 0.29 -0.87 0.00 0.00 176.83 177.37 2bet n LYS 134 N -3.73 -1.07 -2.00 4.77 5.02 -1.26 -4.97 118.16 114.92 2bet n LYS 134 Ca -0.01 0.78 -0.37 0.00 -2.02 0.00 0.00 58.31 56.69 2bet n LYS 134 Cb 0.47 -4.84 0.02 0.00 -0.02 0.00 0.00 35.03 30.66 2bet n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bet s ALA 135 N -2.16 2.80 0.16 7.82 0.00 -1.26 -4.83 121.76 124.30 2bet s ALA 135 Ca 0.00 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.92 2bet s ALA 135 Cb 0.00 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.71 2bet s ALA 135 CO 0.00 -1.08 1.76 0.37 0.00 0.00 0.00 175.76 176.81 2bet h GLN 136 N 1.51 0.32 -0.11 0.00 4.15 -1.99 -1.82 115.11 117.17 2bet h GLN 136 Ca -0.50 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 58.77 2bet h GLN 136 Cb 1.28 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 2bet h GLN 136 CO 0.58 0.21 -0.48 0.07 -1.93 0.00 0.00 178.83 177.28 2bet h ARG 137 N 0.33 0.29 -0.27 1.69 0.11 -1.99 -1.65 114.38 112.89 2bet h ARG 137 Ca 0.17 -0.16 -0.08 0.00 0.10 0.00 0.00 59.98 60.01 2bet h ARG 137 Cb 0.12 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 2bet h ARG 137 CO -0.15 0.71 -0.15 0.45 0.10 0.00 0.00 179.97 180.94 2bet h HIS 138 N 0.23 0.66 -0.10 4.08 3.86 -1.76 -2.65 115.15 119.47 2bet h HIS 138 Ca 0.01 -0.17 -0.08 0.00 -1.16 0.00 0.00 60.37 58.97 2bet h HIS 138 Cb 0.94 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.24 2bet h HIS 138 CO 0.02 0.83 -0.32 0.37 0.86 0.00 0.00 177.93 179.69 2bet h GLN 139 N 0.30 0.19 -0.63 2.45 5.75 -1.27 -2.25 115.11 119.66 2bet h GLN 139 Ca 0.06 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 2bet h GLN 139 Cb 0.67 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 2bet h GLN 139 CO 0.04 0.49 0.07 -0.09 -2.65 0.00 0.00 178.83 176.69 2bet h ARG 140 N 0.17 1.06 -0.18 1.69 2.43 -1.21 -1.44 114.38 116.89 2bet h ARG 140 Ca 0.02 -0.30 -0.20 0.00 -0.81 0.00 0.00 59.98 58.69 2bet h ARG 140 Cb 0.65 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2bet h ARG 140 CO 0.05 1.00 -0.69 0.00 -1.51 0.00 0.00 179.97 178.82 2bet h ARG 141 N 0.97 0.75 -0.86 0.20 3.08 -1.29 -2.18 114.38 115.04 2bet h ARG 141 Ca 0.19 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2bet h ARG 141 Cb 0.48 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 2bet h ARG 141 CO 0.02 1.18 0.54 0.82 -1.07 0.00 0.00 179.97 181.46 2bet h ILE 142 N 0.53 1.23 -0.07 2.04 2.04 -1.34 -2.46 117.51 119.49 2bet h ILE 142 Ca -0.03 -0.48 -0.13 0.00 1.00 0.00 0.00 64.86 65.22 2bet h ILE 142 Cb 1.30 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2bet h ILE 142 CO 0.14 0.24 -0.55 0.44 0.00 0.00 0.00 178.15 178.42 2bet h ASP 143 N 1.18 0.24 -0.39 1.72 3.32 -1.16 -1.42 116.42 119.92 2bet h ASP 143 Ca 0.31 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2bet h ASP 143 Cb -0.08 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2bet h ASP 143 CO -0.06 0.74 0.03 0.40 -1.72 0.00 0.00 179.24 178.63 2bet h ILE 144 N 0.17 1.25 -0.34 0.35 2.04 -1.20 -1.64 117.51 118.14 2bet h ILE 144 Ca 0.00 -0.93 -0.10 0.00 1.00 0.00 0.00 64.86 64.82 2bet h ILE 144 Cb 1.03 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2bet h ILE 144 CO 0.08 0.32 -0.22 0.25 0.00 0.00 0.00 178.15 178.58 2bet h LEU 145 N 0.50 0.66 -0.94 1.44 5.85 -1.29 -2.19 115.31 119.33 2bet h LEU 145 Ca 0.11 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 2bet h LEU 145 Cb 0.42 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2bet h LEU 145 CO 0.01 0.87 -0.24 0.00 -0.34 0.00 0.00 178.44 178.74 2bet h ALA 146 N 1.18 1.11 -0.04 1.25 0.00 -1.14 -1.84 119.26 119.78 2bet h ALA 146 Ca 0.09 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2bet h ALA 146 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2bet h ALA 146 CO 0.05 0.56 -0.48 1.49 0.00 0.00 0.00 179.25 180.87 2bet h GLU 147 N 0.43 0.09 -0.06 0.00 4.57 -1.04 -2.69 114.58 115.88 2bet h GLU 147 Ca 0.06 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.02 2bet h GLU 147 Cb 0.66 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 2bet h GLU 147 CO 0.05 0.55 -0.73 -0.92 -1.18 0.00 0.00 179.01 176.78 2bet h TYR 148 N 0.07 0.44 -0.54 0.92 5.03 -0.97 -2.86 116.97 119.06 2bet h TYR 148 Ca 0.00 -0.20 -0.05 0.00 2.58 0.00 0.00 58.73 61.07 2bet h TYR 148 Cb 0.88 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 39.07 2bet h TYR 148 CO 0.01 0.94 0.14 0.93 -1.32 0.00 0.00 178.16 178.86 2bet h GLU 149 N 0.22 0.81 -0.22 1.82 5.08 -1.15 0.18 114.58 121.32 2bet h GLU 149 Ca -0.03 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 2bet h GLU 149 Cb 1.29 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2bet h GLU 149 CO 0.12 0.72 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.45 2bet h ARG 150 N 0.79 0.60 0.00 2.33 2.43 -1.43 -3.38 114.38 115.73 2bet h ARG 150 Ca 0.18 -0.35 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 2bet h ARG 150 Cb 0.27 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2bet h ARG 150 CO -0.00 0.96 -1.72 0.25 -1.51 0.00 0.00 179.97 177.94 2bet n THR 151 N -4.31 0.24 -3.65 0.20 -2.24 -1.09 -5.00 114.28 98.43 2bet n THR 151 Ca -0.05 -0.39 -0.28 0.00 -2.27 0.00 0.00 64.05 61.06 2bet n THR 151 Cb 0.48 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2bet n THR 151 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2bet n HIS 152 N -2.13 -1.96 -3.82 4.78 8.25 0.64 -4.98 115.22 116.01 2bet n HIS 152 Ca -0.08 0.67 -0.37 0.00 -0.26 0.00 0.00 57.72 57.68 2bet n HIS 152 Cb 0.52 -3.39 -0.13 0.00 1.12 0.00 0.00 29.99 28.11 2bet n HIS 152 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2bet s GLU 153 N -6.33 2.73 0.19 -0.41 2.02 -1.26 -5.07 118.70 110.57 2bet s GLU 153 Ca 0.54 -1.09 -0.32 0.00 0.02 0.00 0.00 54.97 54.12 2bet s GLU 153 Cb -0.28 -3.31 -0.12 0.00 0.10 0.00 0.00 34.13 30.53 2bet s GLU 153 CO 0.66 -0.56 1.74 0.00 0.02 0.00 0.00 175.26 177.11 2bet s ALA 154 N 1.38 3.91 0.57 5.21 0.00 -1.26 -4.79 121.76 126.78 2bet s ALA 154 Ca -0.01 1.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.33 2bet s ALA 154 Cb -0.19 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 2bet s ALA 154 CO 0.01 -0.97 1.09 -1.25 0.00 0.00 0.00 175.76 174.64 2bet s PRO 155 N 1.43 3.29 0.47 0.00 0.04 -1.26 -4.97 135.00 134.00 2bet s PRO 155 Ca 0.76 1.42 -0.24 0.00 0.04 0.00 0.00 61.00 62.98 2bet s PRO 155 Cb -0.49 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 2bet s PRO 155 CO 0.33 -0.87 1.32 -1.25 0.04 0.00 0.00 177.00 176.57 2bet s PRO 156 N -3.65 3.59 -0.32 0.56 0.04 -1.26 -4.98 135.00 128.98 2bet s PRO 156 Ca 0.68 2.16 -0.19 0.00 0.04 0.00 0.00 61.00 63.70 2bet s PRO 156 Cb -0.20 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 2bet s PRO 156 CO 0.31 -0.81 0.56 0.08 0.04 0.00 0.00 177.00 177.19 2bet s VAL 157 N -1.32 4.99 0.01 -0.36 1.01 -1.26 -5.03 120.40 118.45 2bet s VAL 157 Ca 0.64 0.65 -0.33 0.00 0.00 0.00 0.00 61.98 62.94 2bet s VAL 157 Cb -0.38 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 31.93 2bet s VAL 157 CO 0.47 -0.13 1.82 -2.65 0.00 0.00 0.00 175.10 174.61 2bet n PRO 158 N 5.77 2.32 -2.79 2.72 -0.02 -1.26 -2.14 135.00 139.59 2bet n PRO 158 Ca -0.03 0.85 -0.08 0.00 -2.02 0.00 0.00 63.50 62.21 2bet n PRO 158 Cb 0.49 -2.69 0.02 0.00 -0.02 0.00 0.00 33.50 31.30 2bet n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bet n GLY 159 N 4.17 0.37 0.00 -1.23 0.00 -1.26 -5.34 105.19 101.90 2bet n GLY 159 Ca 0.20 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.92 2bet n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32