#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxf n PRO 6 N 0.00 1.15 -0.13 3.69 -0.04 -1.26 -4.86 135.00 133.55 1xxf n PRO 6 Ca 0.00 0.41 -0.04 0.00 -0.04 0.00 0.00 63.50 63.83 1xxf n PRO 6 Cb 0.00 -1.95 0.02 0.00 -0.04 0.00 0.00 33.50 31.53 1xxf n PRO 6 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1xxf h LEU 7 N 3.67 -0.38 -1.92 1.53 5.85 -2.02 -1.49 115.31 120.55 1xxf h LEU 7 Ca -0.44 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1xxf h LEU 7 Cb 1.34 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.63 1xxf h LEU 7 CO 0.72 -0.14 0.06 -0.33 -0.34 0.00 0.00 178.44 178.41 1xxf h GLU 8 N 0.00 0.00 0.00 1.25 3.07 -1.90 0.24 114.58 117.24 1xxf h GLU 8 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1xxf h GLU 8 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1xxf h GLU 8 CO -0.43 0.00 0.00 -0.22 -1.40 0.00 0.00 179.01 176.96 1xxf h LYS 9 N 0.00 0.00 0.04 2.33 3.64 -1.61 -2.88 116.57 118.08 1xxf h LYS 9 Ca 0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 1xxf h LYS 9 Cb 0.12 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1xxf h LYS 9 CO 0.00 0.00 -2.18 -0.89 -2.27 0.00 0.00 179.45 174.11 1xxf n ILE 10 N -2.35 1.58 -3.58 2.00 5.41 0.82 -5.04 119.36 118.21 1xxf n ILE 10 Ca 0.02 -0.69 -0.06 0.00 1.00 0.00 0.00 62.75 63.02 1xxf n ILE 10 Cb 0.27 -1.26 -0.03 0.00 -0.71 0.00 0.00 39.64 37.91 1xxf n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xxf s ALA 11 N -2.54 -2.00 0.00 -1.39 0.00 -1.09 -5.03 121.76 109.71 1xxf s ALA 11 Ca -0.21 1.52 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 1xxf s ALA 11 Cb 0.07 -0.32 -0.08 0.00 0.00 0.00 0.00 23.12 22.79 1xxf s ALA 11 CO 0.74 -0.51 1.45 -0.35 0.00 0.00 0.00 175.76 177.09 1xxf n PRO 12 N 0.13 0.62 -1.71 0.00 -0.04 -1.26 -4.07 135.00 128.67 1xxf n PRO 12 Ca -0.04 -0.30 -0.42 0.00 -0.04 0.00 0.00 63.50 62.70 1xxf n PRO 12 Cb 0.59 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1xxf n PRO 12 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xxf n TYR 13 N 2.76 2.69 -0.62 0.54 4.01 -1.26 -4.93 117.16 120.35 1xxf n TYR 13 Ca 0.13 -0.01 -0.31 0.00 -0.16 0.00 0.00 57.90 57.55 1xxf n TYR 13 Cb 0.29 -2.69 0.19 0.00 -0.31 0.00 0.00 39.34 36.82 1xxf n TYR 13 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xxf n PRO 14 N 4.49 -1.26 -3.04 -0.72 -0.04 -1.26 -4.91 135.00 128.27 1xxf n PRO 14 Ca 0.17 -0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 63.04 1xxf n PRO 14 Cb 0.35 -2.15 -0.01 0.00 -0.04 0.00 0.00 33.50 31.65 1xxf n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xxf s GLN 15 N -4.27 3.56 0.29 0.54 -0.21 -1.26 -5.04 119.66 113.27 1xxf s GLN 15 Ca 0.65 -0.00 -0.29 0.00 0.02 0.00 0.00 55.36 55.73 1xxf s GLN 15 Cb -0.22 -2.53 -0.10 0.00 1.00 0.00 0.00 33.01 31.16 1xxf s GLN 15 CO 0.63 0.01 1.26 0.00 -2.12 0.00 0.00 175.29 175.07 1xxf s ALA 16 N -2.44 3.49 1.03 6.09 0.00 -1.26 -5.01 121.76 123.65 1xxf s ALA 16 Ca 0.44 1.14 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 1xxf s ALA 16 Cb -0.10 -3.45 0.21 0.00 0.00 0.00 0.00 23.12 19.78 1xxf s ALA 16 CO 0.38 -0.51 1.18 -1.21 0.00 0.00 0.00 175.76 175.60 1xxf s GLU 17 N -1.29 0.18 0.30 0.00 2.02 -1.26 -4.89 118.70 113.76 1xxf s GLU 17 Ca 0.50 -0.04 -0.30 0.00 0.02 0.00 0.00 54.97 55.15 1xxf s GLU 17 Cb -0.37 -1.76 -0.12 0.00 0.10 0.00 0.00 34.13 31.98 1xxf s GLU 17 CO 0.47 -2.78 1.53 1.17 0.02 0.00 0.00 175.26 175.66 1xxf n LYS 18 N -4.11 2.54 -1.60 1.61 4.81 -1.26 -1.96 118.16 118.19 1xxf n LYS 18 Ca 0.11 0.90 -0.07 0.00 -0.87 0.00 0.00 58.31 58.39 1xxf n LYS 18 Cb 0.59 -2.64 -0.02 0.00 0.02 0.00 0.00 35.03 32.98 1xxf n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xxf n GLY 19 N 1.86 0.56 3.29 3.14 0.00 -1.26 -5.02 105.19 107.77 1xxf n GLY 19 Ca 0.08 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 1xxf n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxf s MET 20 N -3.34 1.02 0.11 1.61 -1.94 -0.83 -2.60 119.30 113.34 1xxf s MET 20 Ca 0.00 -0.83 0.04 0.00 -1.71 0.00 0.00 55.69 53.19 1xxf s MET 20 Cb 0.00 0.42 -0.04 0.00 2.01 0.00 0.00 34.83 37.23 1xxf s MET 20 CO 0.00 -0.38 -0.10 -1.59 -0.01 0.00 0.00 175.02 172.95 1xxf s LYS 21 N -3.84 0.90 -0.33 2.03 -2.85 0.44 -4.45 119.74 111.65 1xxf s LYS 21 Ca 0.05 -1.27 -0.12 0.00 -1.00 0.00 0.00 55.97 53.63 1xxf s LYS 21 Cb 0.03 -0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 35.27 1xxf s LYS 21 CO -0.10 0.06 0.23 0.50 0.10 0.00 0.00 175.35 176.14 1xxf s ARG 22 N -3.22 3.54 -0.16 1.78 3.52 -1.26 -2.31 118.95 120.84 1xxf s ARG 22 Ca 0.09 -0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 55.01 1xxf s ARG 22 Cb -0.00 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 1xxf s ARG 22 CO -0.01 -0.41 0.08 -0.65 -0.81 0.00 0.00 175.30 173.51 1xxf s GLN 23 N 1.72 3.75 0.07 5.12 -0.21 0.18 -4.94 119.66 125.35 1xxf s GLN 23 Ca 0.06 -0.28 0.10 0.00 0.02 0.00 0.00 55.36 55.26 1xxf s GLN 23 Cb -0.17 -3.19 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 1xxf s GLN 23 CO 0.10 0.46 -0.26 0.08 -2.12 0.00 0.00 175.29 173.56 1xxf s VAL 24 N -0.15 2.12 -0.12 1.09 1.01 -1.26 0.45 120.40 123.53 1xxf s VAL 24 Ca 0.08 -1.49 -0.01 0.00 0.00 0.00 0.00 61.98 60.56 1xxf s VAL 24 Cb -0.12 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1xxf s VAL 24 CO 0.01 0.25 -0.07 -0.63 0.00 0.00 0.00 175.10 174.66 1xxf s ILE 25 N -0.90 1.01 -0.33 2.22 1.01 0.85 -4.94 121.20 120.12 1xxf s ILE 25 Ca 0.12 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1xxf s ILE 25 Cb -0.10 -1.08 0.08 0.00 0.01 0.00 0.00 42.46 41.38 1xxf s ILE 25 CO 0.03 0.30 0.05 -1.58 0.00 0.00 0.00 174.94 173.74 1xxf s GLN 26 N 1.71 1.96 0.33 2.79 2.00 -1.26 0.04 119.66 127.22 1xxf s GLN 26 Ca 0.04 -1.63 -0.26 0.00 -2.00 0.00 0.00 55.36 51.51 1xxf s GLN 26 Cb -0.13 -3.23 -0.10 0.00 0.80 0.00 0.00 33.01 30.35 1xxf s GLN 26 CO -0.08 -0.83 0.97 -0.51 -0.50 0.00 0.00 175.29 174.34 1xxf s LEU 27 N 1.07 4.34 0.30 3.68 1.43 -1.26 -5.04 118.68 123.20 1xxf s LEU 27 Ca 0.03 1.89 -0.28 0.00 -1.03 0.00 0.00 54.13 54.75 1xxf s LEU 27 Cb -0.20 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 41.92 1xxf s LEU 27 CO -0.05 -0.12 0.97 0.42 0.23 0.00 0.00 176.35 177.80 1xxf s THR 28 N -1.58 4.02 0.49 5.49 -4.23 -1.26 -4.60 115.64 113.96 1xxf s THR 28 Ca 0.51 1.82 -0.23 0.00 -1.18 0.00 0.00 61.69 62.60 1xxf s THR 28 Cb -0.20 -4.07 -0.07 0.00 1.34 0.00 0.00 72.50 69.49 1xxf s THR 28 CO 0.26 0.27 1.25 -2.65 -0.54 0.00 0.00 174.62 173.20 1xxf n PRO 29 N 0.87 1.69 -4.17 3.99 -0.02 -1.26 -4.79 135.00 131.30 1xxf n PRO 29 Ca 0.01 0.61 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 1xxf n PRO 29 Cb 0.48 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 1xxf n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xxf s GLN 30 N -2.50 0.84 0.15 -0.52 -1.52 -1.26 -5.06 119.66 109.80 1xxf s GLN 30 Ca 0.67 -1.21 -0.17 0.00 -1.95 0.00 0.00 55.36 52.69 1xxf s GLN 30 Cb -0.47 -0.43 0.01 0.00 -0.22 0.00 0.00 33.01 31.90 1xxf s GLN 30 CO 0.54 0.05 1.80 1.49 -0.25 0.00 0.00 175.29 178.91 1xxf h GLU 31 N 3.37 0.42 -3.11 2.91 4.57 -2.06 -3.37 114.58 117.31 1xxf h GLU 31 Ca -0.36 -0.03 -0.56 0.00 -1.18 0.00 0.00 59.36 57.23 1xxf h GLU 31 Cb 1.18 -0.10 -0.40 0.00 -0.16 0.00 0.00 28.75 29.28 1xxf h GLU 31 CO 0.57 0.28 -0.77 0.34 -1.18 0.00 0.00 179.01 178.24 1xxf s ASP 32 N -5.48 3.70 0.02 1.04 2.15 -1.26 -4.95 116.67 111.89 1xxf s ASP 32 Ca -0.13 -1.63 0.27 0.00 0.43 0.00 0.00 52.55 51.49 1xxf s ASP 32 Cb 0.11 -0.63 0.85 0.00 -0.30 0.00 0.00 42.92 42.95 1xxf s ASP 32 CO 0.71 -0.40 1.67 -0.62 -0.17 0.00 0.00 175.17 176.36 1xxf n GLU 33 N 4.82 0.04 0.29 4.34 1.02 -1.26 -3.63 120.64 126.27 1xxf n GLU 33 Ca -0.01 0.02 0.17 0.00 -0.02 0.00 0.00 57.16 57.32 1xxf n GLU 33 Cb 0.41 -1.54 0.89 0.00 -0.02 0.00 0.00 31.44 31.18 1xxf n GLU 33 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xxf h SER 34 N 0.00 0.00 -0.62 1.62 4.64 -1.93 -0.96 113.55 116.30 1xxf h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xxf h SER 34 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1xxf h SER 34 CO 0.00 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.36 1xxf n THR 35 N -3.43 1.11 -4.49 2.95 -2.24 -1.24 -4.93 114.28 102.02 1xxf n THR 35 Ca -0.02 -1.04 -0.30 0.00 -2.27 0.00 0.00 64.05 60.42 1xxf n THR 35 Cb 0.18 0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 68.74 1xxf n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xxf s LEU 36 N -1.12 2.68 0.05 3.22 1.43 -0.37 -0.88 118.68 123.69 1xxf s LEU 36 Ca 0.43 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1xxf s LEU 36 Cb 0.23 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 1xxf s LEU 36 CO 0.28 0.22 -0.04 -0.54 0.23 0.00 0.00 176.35 176.50 1xxf s LYS 37 N -1.75 0.56 -0.13 1.70 1.02 0.03 -2.64 119.74 118.52 1xxf s LYS 37 Ca 0.16 -1.02 0.03 0.00 0.02 0.00 0.00 55.97 55.15 1xxf s LYS 37 Cb -0.11 0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.28 1xxf s LYS 37 CO 0.08 -0.06 -0.22 0.08 -0.92 0.00 0.00 175.35 174.31 1xxf s VAL 38 N -2.94 2.01 -0.16 3.17 1.01 0.15 -0.02 120.40 123.61 1xxf s VAL 38 Ca -0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 1xxf s VAL 38 Cb 0.01 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1xxf s VAL 38 CO -0.06 0.54 0.18 -0.70 0.00 0.00 0.00 175.10 175.07 1xxf s GLU 39 N 0.79 3.97 -0.21 2.72 2.12 -0.11 -0.71 118.70 127.27 1xxf s GLU 39 Ca -0.08 -0.09 -0.12 0.00 0.36 0.00 0.00 54.97 55.04 1xxf s GLU 39 Cb -0.16 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 1xxf s GLU 39 CO -0.01 0.45 0.22 -0.51 -0.54 0.00 0.00 175.26 174.87 1xxf s LEU 40 N -0.10 4.16 -0.37 2.70 1.43 0.64 -1.64 118.68 125.50 1xxf s LEU 40 Ca 0.13 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1xxf s LEU 40 Cb -0.12 -2.23 0.08 0.00 0.03 0.00 0.00 46.19 43.95 1xxf s LEU 40 CO 0.02 0.07 0.13 -0.76 0.23 0.00 0.00 176.35 176.04 1xxf s LEU 41 N 0.86 4.73 -0.15 1.79 1.43 0.33 -4.91 118.68 122.77 1xxf s LEU 41 Ca 0.11 -1.68 -0.02 0.00 -1.03 0.00 0.00 54.13 51.51 1xxf s LEU 41 Cb -0.13 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1xxf s LEU 41 CO 0.04 -0.43 -0.08 -0.63 0.23 0.00 0.00 176.35 175.47 1xxf s ILE 42 N 1.22 3.47 -0.29 -0.59 1.01 -1.26 0.40 121.20 125.15 1xxf s ILE 42 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1xxf s ILE 42 Cb -0.21 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1xxf s ILE 42 CO -0.02 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1xxf n GLY 43 N 3.66 -0.58 3.01 6.18 0.00 -1.07 -0.65 105.19 115.74 1xxf n GLY 43 Ca -0.18 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1xxf n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xxf s GLN 44 N -0.12 0.44 -0.46 1.61 -0.21 -0.41 -1.46 119.66 119.05 1xxf s GLN 44 Ca 0.00 -0.52 -0.23 0.00 0.02 0.00 0.00 55.36 54.63 1xxf s GLN 44 Cb 0.00 -0.26 0.03 0.00 1.00 0.00 0.00 33.01 33.78 1xxf s GLN 44 CO 0.00 0.05 0.77 0.99 -2.12 0.00 0.00 175.29 174.99 1xxf s THR 45 N -0.93 4.66 0.40 -0.19 2.01 -1.26 -1.34 115.64 118.98 1xxf s THR 45 Ca -0.06 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.28 1xxf s THR 45 Cb -0.07 -4.33 -0.02 0.00 0.01 0.00 0.00 72.50 68.09 1xxf s THR 45 CO 0.00 -0.75 0.16 -0.76 -0.69 0.00 0.00 174.62 172.58 1xxf s LEU 46 N 3.26 1.94 -0.33 4.42 1.43 -1.14 -4.97 118.68 123.29 1xxf s LEU 46 Ca 0.28 -1.70 -0.03 0.00 -1.03 0.00 0.00 54.13 51.65 1xxf s LEU 46 Cb -0.13 0.03 0.06 0.00 0.03 0.00 0.00 46.19 46.18 1xxf s LEU 46 CO 0.21 -0.97 0.07 -1.61 0.23 0.00 0.00 176.35 174.28 1xxf s GLU 47 N -3.66 2.39 0.43 1.70 2.02 -1.26 -1.73 118.70 118.59 1xxf s GLU 47 Ca 0.26 -1.36 0.06 0.00 0.02 0.00 0.00 54.97 53.96 1xxf s GLU 47 Cb 0.02 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 1xxf s GLU 47 CO 0.17 -0.72 0.13 0.14 0.02 0.00 0.00 175.26 174.99 1xxf s VAL 48 N 1.27 2.02 0.24 2.63 -7.23 -1.18 -4.79 120.40 113.35 1xxf s VAL 48 Ca -0.02 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.36 1xxf s VAL 48 Cb -0.20 -2.83 0.05 0.00 0.56 0.00 0.00 36.38 33.96 1xxf s VAL 48 CO -0.01 0.00 0.33 -0.90 -0.31 0.00 0.00 175.10 174.21 1xxf n ASP 49 N -1.20 0.59 0.10 4.85 5.68 -1.24 -1.92 116.55 123.41 1xxf n ASP 49 Ca -0.05 -1.47 0.20 0.00 -0.50 0.00 0.00 54.79 52.98 1xxf n ASP 49 Cb 0.66 -0.20 0.72 0.00 -1.14 0.00 0.00 41.12 41.16 1xxf n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xxf s ASN 51 N -4.99 4.18 -0.35 0.00 0.01 -1.26 -4.96 114.94 107.56 1xxf s ASN 51 Ca -0.04 2.33 -0.19 0.00 -0.71 0.00 0.00 52.86 54.25 1xxf s ASN 51 Cb 0.14 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.22 1xxf s ASN 51 CO 0.50 -2.27 0.57 -1.48 -1.51 0.00 0.00 177.10 172.90 1xxf s LEU 52 N -5.21 4.32 0.00 0.60 2.34 -1.26 -4.93 118.68 114.54 1xxf s LEU 52 Ca 0.74 0.04 -0.06 0.00 0.06 0.00 0.00 54.13 54.90 1xxf s LEU 52 Cb -0.28 -2.67 -0.05 0.00 -0.56 0.00 0.00 46.19 42.63 1xxf s LEU 52 CO 0.46 -0.53 0.25 -1.00 -1.06 0.00 0.00 176.35 174.47 1xxf s HIS 53 N 2.53 3.57 -0.08 3.48 3.76 -1.26 -3.52 115.29 123.78 1xxf s HIS 53 Ca 0.21 0.54 -0.03 0.00 -0.15 0.00 0.00 55.06 55.63 1xxf s HIS 53 Cb -0.15 -1.97 0.04 0.00 1.11 0.00 0.00 32.58 31.62 1xxf s HIS 53 CO 0.14 0.62 0.11 0.50 -0.85 0.00 0.00 174.74 175.25 1xxf s ARG 54 N -1.77 -0.01 0.26 1.40 3.52 -0.71 -4.69 118.95 116.96 1xxf s ARG 54 Ca 0.27 0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.94 1xxf s ARG 54 Cb -0.13 -0.66 -0.10 0.00 -1.56 0.00 0.00 34.95 32.51 1xxf s ARG 54 CO 0.16 -0.39 1.30 -1.17 -0.81 0.00 0.00 175.30 174.40 1xxf s LEU 55 N 2.21 4.43 0.19 -0.88 2.96 0.15 -1.52 118.68 126.23 1xxf s LEU 55 Ca 0.04 2.53 -0.15 0.00 -0.22 0.00 0.00 54.13 56.33 1xxf s LEU 55 Cb -0.13 -3.63 -0.07 0.00 0.50 0.00 0.00 46.19 42.86 1xxf s LEU 55 CO -0.05 -0.51 0.60 -0.83 -1.32 0.00 0.00 176.35 174.24 1xxf s GLY 56 N -0.08 2.45 0.00 7.98 0.00 -1.13 -4.03 107.32 112.50 1xxf s GLY 56 Ca 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1xxf s GLY 56 CO 0.44 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1xxf n GLY 57 N 0.52 3.83 3.03 0.20 0.00 -0.97 -2.30 105.19 109.49 1xxf n GLY 57 Ca -0.03 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 1xxf n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxf s LYS 58 N -2.55 0.53 -0.18 1.61 -0.14 0.26 -4.71 119.74 114.57 1xxf s LYS 58 Ca 0.00 -0.51 -0.26 0.00 -1.36 0.00 0.00 55.97 53.84 1xxf s LYS 58 Cb 0.00 -0.42 -0.01 0.00 -1.68 0.00 0.00 37.83 35.72 1xxf s LYS 58 CO 0.00 0.10 0.89 -1.17 -0.76 0.00 0.00 175.35 174.41 1xxf s LEU 59 N -0.89 4.16 -0.22 3.17 2.96 -1.26 -1.20 118.68 125.40 1xxf s LEU 59 Ca -0.03 1.23 -0.07 0.00 -0.22 0.00 0.00 54.13 55.04 1xxf s LEU 59 Cb -0.06 -3.32 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 1xxf s LEU 59 CO 0.00 -0.46 0.07 -0.70 -1.32 0.00 0.00 176.35 173.93 1xxf s GLU 60 N 2.40 3.77 -0.18 1.98 2.56 -0.39 -4.95 118.70 123.89 1xxf s GLU 60 Ca 0.40 -0.43 -0.21 0.00 0.00 0.00 0.00 54.97 54.73 1xxf s GLU 60 Cb -0.16 -3.28 -0.03 0.00 2.00 0.00 0.00 34.13 32.66 1xxf s GLU 60 CO 0.11 -0.02 0.62 1.21 -0.56 0.00 0.00 175.26 176.63 1xxf s ASN 61 N 1.16 6.71 0.13 -1.70 3.84 -1.26 -1.42 114.94 122.40 1xxf s ASN 61 Ca 0.04 0.86 0.06 0.00 0.21 0.00 0.00 52.86 54.03 1xxf s ASN 61 Cb -0.14 -2.35 -0.04 0.00 -0.55 0.00 0.00 41.25 38.17 1xxf s ASN 61 CO 0.03 -0.23 -0.13 -0.54 -2.79 0.00 0.00 177.10 173.44 1xxf s LYS 62 N 1.69 1.04 0.00 0.43 1.02 -0.54 -5.01 119.74 118.36 1xxf s LYS 62 Ca 0.29 -1.28 0.04 0.00 0.02 0.00 0.00 55.97 55.04 1xxf s LYS 62 Cb -0.16 -0.87 -0.03 0.00 -0.52 0.00 0.00 37.83 36.25 1xxf s LYS 62 CO 0.11 0.16 -0.11 0.99 -0.92 0.00 0.00 175.35 175.58 1xxf s THR 63 N -2.33 3.34 -0.73 2.17 2.01 -1.26 -1.26 115.64 117.58 1xxf s THR 63 Ca 0.10 -0.86 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 1xxf s THR 63 Cb -0.04 -2.42 0.03 0.00 0.01 0.00 0.00 72.50 70.09 1xxf s THR 63 CO 0.03 0.42 1.25 -0.22 -0.69 0.00 0.00 174.62 175.40 1xxf s LEU 64 N -1.30 3.28 -0.48 4.42 2.96 0.15 -4.94 118.68 122.77 1xxf s LEU 64 Ca 0.15 -0.48 -0.45 0.00 -0.22 0.00 0.00 54.13 53.13 1xxf s LEU 64 Cb -0.11 -2.56 -0.19 0.00 0.50 0.00 0.00 46.19 43.83 1xxf s LEU 64 CO 0.06 -1.80 1.53 1.21 -1.32 0.00 0.00 176.35 176.03 1xxf n GLU 65 N 9.21 0.00 -0.72 1.98 2.13 -1.26 -0.13 120.64 131.85 1xxf n GLU 65 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1xxf n GLU 65 Cb 0.49 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.77 1xxf n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xxf n GLY 66 N 3.86 1.08 0.01 8.31 0.00 -1.26 -4.85 105.19 112.33 1xxf n GLY 66 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1xxf n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xxf n TRP 67 N -2.00 0.00 -0.46 1.61 7.02 0.81 -5.01 117.44 119.42 1xxf n TRP 67 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1xxf n TRP 67 Cb 0.00 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 28.81 1xxf n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xxf n GLY 68 N 2.58 2.08 3.82 6.99 0.00 -1.16 -5.01 105.19 114.48 1xxf n GLY 68 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1xxf n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xxf s TYR 69 N -3.46 3.42 0.23 1.61 2.02 -1.26 -4.84 117.35 115.07 1xxf s TYR 69 Ca 0.00 1.49 0.08 0.00 -0.37 0.00 0.00 57.07 58.27 1xxf s TYR 69 Cb 0.00 -2.74 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 1xxf s TYR 69 CO 0.00 0.04 0.04 -0.51 -1.57 0.00 0.00 175.55 173.55 1xxf s ASP 70 N -2.08 4.84 -0.15 2.29 1.01 -1.26 0.31 116.67 121.63 1xxf s ASP 70 Ca 0.56 -0.48 -0.21 0.00 0.71 0.00 0.00 52.55 53.13 1xxf s ASP 70 Cb -0.11 -1.03 0.05 0.00 1.01 0.00 0.00 42.92 42.84 1xxf s ASP 70 CO 0.17 0.02 0.55 -0.72 0.21 0.00 0.00 175.17 175.40 1xxf s TYR 71 N -2.09 -0.57 0.21 4.23 -0.85 -0.39 -4.52 117.35 113.38 1xxf s TYR 71 Ca 0.30 1.26 0.05 0.00 -0.52 0.00 0.00 57.07 58.17 1xxf s TYR 71 Cb -0.08 0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 1xxf s TYR 71 CO 0.21 -0.38 0.26 0.71 -1.52 0.00 0.00 175.55 174.83 1xxf s TYR 72 N -0.24 3.31 -0.08 -3.49 1.51 0.10 -1.47 117.35 116.98 1xxf s TYR 72 Ca -0.04 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1xxf s TYR 72 Cb -0.03 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.31 1xxf s TYR 72 CO 0.03 0.49 -0.02 0.08 -1.11 0.00 0.00 175.55 175.03 1xxf s VAL 73 N -1.94 0.54 -0.76 0.71 1.01 -0.50 -0.08 120.40 119.37 1xxf s VAL 73 Ca 0.33 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 1xxf s VAL 73 Cb -0.09 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.66 1xxf s VAL 73 CO 0.27 0.28 1.26 0.12 0.00 0.00 0.00 175.10 177.02 1xxf s PHE 74 N 1.91 2.36 0.18 5.22 5.36 0.43 -1.26 117.98 132.17 1xxf s PHE 74 Ca 0.05 -0.19 0.05 0.00 -0.96 0.00 0.00 56.93 55.89 1xxf s PHE 74 Cb -0.12 -4.59 -0.04 0.00 -0.34 0.00 0.00 43.02 37.93 1xxf s PHE 74 CO -0.06 -2.01 0.16 0.34 -1.46 0.00 0.00 175.22 172.19 1xxf s ASP 75 N 3.83 5.58 -0.42 6.13 2.15 -0.34 -4.64 116.67 128.96 1xxf s ASP 75 Ca 0.34 -0.14 -0.02 0.00 0.43 0.00 0.00 52.55 53.17 1xxf s ASP 75 Cb -0.08 -1.46 0.00 0.00 -0.30 0.00 0.00 42.92 41.07 1xxf s ASP 75 CO 0.12 0.04 0.36 0.29 -0.17 0.00 0.00 175.17 175.81 1xxf n LYS 76 N -0.56 -2.42 -2.50 4.34 4.76 -1.26 0.91 118.16 121.43 1xxf n LYS 76 Ca -0.08 0.27 -0.42 0.00 -2.87 0.00 0.00 58.31 55.21 1xxf n LYS 76 Cb 0.55 -3.60 -0.02 0.00 -1.84 0.00 0.00 35.03 30.12 1xxf n LYS 76 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xxf s VAL 77 N -3.11 3.96 0.15 -0.18 1.01 -1.26 -2.29 120.40 118.67 1xxf s VAL 77 Ca 0.11 0.87 0.09 0.00 0.00 0.00 0.00 61.98 63.05 1xxf s VAL 77 Cb -0.05 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 1xxf s VAL 77 CO 0.24 -1.20 -0.20 -0.94 0.00 0.00 0.00 175.10 173.00 1xxf s SER 78 N 3.43 2.74 0.30 3.32 1.04 -0.97 -5.00 113.70 118.56 1xxf s SER 78 Ca 0.48 -0.80 -0.25 0.00 0.48 0.00 0.00 55.95 55.86 1xxf s SER 78 Cb -0.09 -0.16 -0.15 0.00 0.10 0.00 0.00 66.02 65.71 1xxf s SER 78 CO 0.27 0.02 0.53 -1.20 0.98 0.00 0.00 173.24 173.84 1xxf n SER 79 N 0.57 -1.01 -4.75 7.02 7.64 -1.26 -2.85 113.62 118.99 1xxf n SER 79 Ca -0.15 1.03 -0.41 0.00 1.01 0.00 0.00 58.87 60.34 1xxf n SER 79 Cb 0.56 -1.03 -0.02 0.00 -1.01 0.00 0.00 64.21 62.70 1xxf n SER 79 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1xxf s PRO 80 N -1.23 4.27 0.67 1.43 0.02 -1.26 -4.25 135.00 134.65 1xxf s PRO 80 Ca 0.62 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.96 1xxf s PRO 80 Cb -0.76 -3.10 0.13 0.00 0.02 0.00 0.00 34.50 30.79 1xxf s PRO 80 CO 0.58 -0.40 0.93 -0.40 -0.33 0.00 0.00 177.00 177.38 1xxf n ASP 81 N 2.10 1.48 -3.61 2.53 5.75 -0.58 -4.83 116.55 119.40 1xxf n ASP 81 Ca 0.06 -2.19 -0.06 0.00 -0.01 0.00 0.00 54.79 52.59 1xxf n ASP 81 Cb 0.40 -0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 39.91 1xxf n ASP 81 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1xxf s PHE 82 N -2.87 -0.09 0.67 2.11 -0.00 -1.26 -1.73 117.98 114.81 1xxf s PHE 82 Ca 0.63 -0.35 -0.08 0.00 -0.00 0.00 0.00 56.93 57.13 1xxf s PHE 82 Cb -0.04 0.71 0.03 0.00 -0.00 0.00 0.00 43.02 43.72 1xxf s PHE 82 CO 0.41 -1.12 1.00 0.95 -0.00 0.00 0.00 175.22 176.46 1xxf s THR 83 N -3.22 3.11 -0.77 -4.49 -4.23 -1.23 -5.00 115.64 99.80 1xxf s THR 83 Ca 0.13 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.67 1xxf s THR 83 Cb -0.04 -3.30 0.37 0.00 1.34 0.00 0.00 72.50 70.87 1xxf s THR 83 CO 0.06 -0.34 1.92 0.54 -0.54 0.00 0.00 174.62 176.26 1xxf n ARG 84 N -2.83 2.83 -4.26 3.99 3.00 -1.26 -4.89 116.66 113.24 1xxf n ARG 84 Ca 0.06 -3.60 -0.23 0.00 -0.01 0.00 0.00 57.85 54.07 1xxf n ARG 84 Cb 0.59 -2.27 -0.07 0.00 0.00 0.00 0.00 32.46 30.70 1xxf n ARG 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1xxf s VAL 85 N -5.08 3.61 -0.10 1.55 1.01 -1.26 -5.12 120.40 114.99 1xxf s VAL 85 Ca 0.53 -1.77 -0.04 0.00 0.00 0.00 0.00 61.98 60.70 1xxf s VAL 85 Cb 0.44 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1xxf s VAL 85 CO -0.33 -0.33 0.07 0.68 0.00 0.00 0.00 175.10 175.19 1xxf s VAL 86 N -2.20 4.91 -0.05 2.92 -7.23 -1.26 -4.87 120.40 112.63 1xxf s VAL 86 Ca 0.31 -0.02 -0.03 0.00 -1.81 0.00 0.00 61.98 60.43 1xxf s VAL 86 Cb -0.07 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 1xxf s VAL 86 CO 0.20 0.61 0.14 0.00 -0.31 0.00 0.00 175.10 175.74 1xxf h PRO 88 N 4.30 -0.24 -6.71 0.00 0.13 -2.01 -3.41 132.00 124.06 1xxf h PRO 88 Ca -0.51 0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 1xxf h PRO 88 Cb 1.20 0.05 -0.19 0.00 0.13 0.00 0.00 31.00 32.19 1xxf h PRO 88 CO 0.63 -0.16 -0.81 0.16 -0.23 0.00 0.00 178.00 177.59 1xxf s ASP 89 N -5.17 3.70 -0.67 1.44 1.47 -1.26 -4.99 116.67 111.19 1xxf s ASP 89 Ca -0.14 -0.67 -0.09 0.00 1.18 0.00 0.00 52.55 52.83 1xxf s ASP 89 Cb 0.12 -0.43 -0.08 0.00 -0.34 0.00 0.00 42.92 42.20 1xxf s ASP 89 CO 0.65 0.16 1.84 0.61 0.68 0.00 0.00 175.17 179.10 1xxf n GLY 90 N 0.62 2.62 3.76 2.12 0.00 -1.26 -4.85 105.19 108.19 1xxf n GLY 90 Ca -0.15 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 1xxf n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxf s LYS 91 N 4.17 4.30 -0.30 1.61 -2.85 -1.26 -5.03 119.74 120.39 1xxf s LYS 91 Ca 0.36 2.27 -0.01 0.00 -1.00 0.00 0.00 55.97 57.60 1xxf s LYS 91 Cb 0.09 -3.08 0.13 0.00 -2.06 0.00 0.00 37.83 32.91 1xxf s LYS 91 CO 0.02 -0.30 0.26 0.15 0.10 0.00 0.00 175.35 175.58 1xxf s LYS 92 N -1.31 0.33 -0.10 1.78 1.02 -1.26 -3.70 119.74 116.50 1xxf s LYS 92 Ca 0.53 -0.34 -0.02 0.00 0.02 0.00 0.00 55.97 56.16 1xxf s LYS 92 Cb -0.41 -0.81 -0.03 0.00 -0.52 0.00 0.00 37.83 36.06 1xxf s LYS 92 CO 0.50 -1.05 -0.02 -1.83 -0.92 0.00 0.00 175.35 172.03 1xxf s GLU 93 N 2.17 3.09 -0.61 1.68 -1.05 -0.81 -4.78 118.70 118.40 1xxf s GLU 93 Ca 0.10 -0.46 -0.26 0.00 -0.15 0.00 0.00 54.97 54.20 1xxf s GLU 93 Cb -0.15 -2.78 -0.06 0.00 -0.44 0.00 0.00 34.13 30.70 1xxf s GLU 93 CO -0.30 0.59 2.15 0.15 0.95 0.00 0.00 175.26 178.81 1xxf s LYS 94 N -0.59 2.29 0.04 -4.83 1.02 -1.26 -3.13 119.74 113.28 1xxf s LYS 94 Ca 0.09 0.84 0.09 0.00 0.02 0.00 0.00 55.97 57.02 1xxf s LYS 94 Cb -0.12 -4.58 -0.03 0.00 -0.52 0.00 0.00 37.83 32.59 1xxf s LYS 94 CO 0.02 -3.21 -0.26 0.21 -0.92 0.00 0.00 175.35 171.20 1xxf s LYS 95 N 7.74 1.83 -1.13 1.68 2.20 -0.71 -4.95 119.74 126.41 1xxf s LYS 95 Ca 0.83 -1.10 -0.21 0.00 -0.36 0.00 0.00 55.97 55.13 1xxf s LYS 95 Cb -0.14 -2.00 0.06 0.00 -1.51 0.00 0.00 37.83 34.25 1xxf s LYS 95 CO 0.19 0.52 1.56 0.12 -0.36 0.00 0.00 175.35 177.38 1xxf s PHE 96 N -0.81 2.66 -0.44 4.03 5.36 -1.26 -2.88 117.98 124.64 1xxf s PHE 96 Ca 0.12 -1.18 -0.28 0.00 -0.96 0.00 0.00 56.93 54.62 1xxf s PHE 96 Cb -0.10 -4.71 0.00 0.00 -0.34 0.00 0.00 43.02 37.87 1xxf s PHE 96 CO 0.02 -1.87 1.54 0.08 -1.46 0.00 0.00 175.22 173.54 1xxf s VAL 97 N 4.58 3.73 0.33 3.12 1.01 -0.45 -4.82 120.40 127.90 1xxf s VAL 97 Ca 0.49 0.70 0.01 0.00 0.00 0.00 0.00 61.98 63.18 1xxf s VAL 97 Cb 0.01 -4.10 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1xxf s VAL 97 CO -0.03 -0.77 0.45 0.35 0.00 0.00 0.00 175.10 175.10 1xxf n THR 98 N 7.13 0.00 -4.77 3.92 -2.24 -1.26 -1.29 114.28 115.77 1xxf n THR 98 Ca 0.18 -0.80 -0.31 0.00 -2.27 0.00 0.00 64.05 60.84 1xxf n THR 98 Cb 0.48 -1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 67.54 1xxf n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xxf s ALA 99 N -2.79 2.57 -0.34 6.98 0.00 0.17 -0.67 121.76 127.67 1xxf s ALA 99 Ca 0.31 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 1xxf s ALA 99 Cb -0.02 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 1xxf s ALA 99 CO 0.20 0.57 1.48 -0.47 0.00 0.00 0.00 175.76 177.54 1xxf s TYR 100 N -0.86 2.32 -1.65 0.00 5.04 -1.26 -4.72 117.35 116.23 1xxf s TYR 100 Ca 0.14 0.68 0.24 0.00 -2.44 0.00 0.00 57.07 55.69 1xxf s TYR 100 Cb -0.10 -4.15 0.34 0.00 0.35 0.00 0.00 41.96 38.40 1xxf s TYR 100 CO 0.04 -2.23 1.30 1.28 -1.34 0.00 0.00 175.55 174.60 1xxf n LEU 101 N 8.73 1.29 0.00 6.97 4.77 -1.26 -4.89 117.00 132.60 1xxf n LEU 101 Ca 0.17 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1xxf n LEU 101 Cb 0.47 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1xxf n LEU 101 CO 0.68 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1xxf n GLY 102 N 1.41 1.17 0.00 -0.72 0.00 -1.26 -2.86 105.19 102.93 1xxf n GLY 102 Ca 0.09 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.56 1xxf n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xxf n ASP 103 N -0.08 0.03 -0.10 1.61 8.00 -1.26 -3.11 116.55 121.64 1xxf n ASP 103 Ca 0.00 0.36 0.15 0.00 0.71 0.00 0.00 54.79 56.01 1xxf n ASP 103 Cb 0.00 -0.43 0.84 0.00 -0.02 0.00 0.00 41.12 41.51 1xxf n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xxf n ALA 104 N -1.46 2.66 1.10 2.24 0.00 -1.13 -3.21 120.51 120.70 1xxf n ALA 104 Ca 0.08 -0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1xxf n ALA 104 Cb 0.33 -1.43 0.30 0.00 0.00 0.00 0.00 19.45 18.64 1xxf n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xxf n GLY 105 N 1.02 -1.00 3.56 0.00 0.00 -1.18 -4.81 105.19 102.78 1xxf n GLY 105 Ca 0.22 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1xxf n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxf s MET 106 N -2.80 3.82 0.08 1.61 -1.94 -1.20 -0.26 119.30 118.61 1xxf s MET 106 Ca 0.16 -0.43 0.05 0.00 -1.71 0.00 0.00 55.69 53.76 1xxf s MET 106 Cb 0.18 -3.10 -0.03 0.00 2.01 0.00 0.00 34.83 33.89 1xxf s MET 106 CO 0.63 0.22 -0.13 -0.51 -0.01 0.00 0.00 175.02 175.22 1xxf s LEU 107 N 0.47 2.32 0.80 -0.03 1.43 0.11 -4.96 118.68 118.82 1xxf s LEU 107 Ca 0.00 -0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 1xxf s LEU 107 Cb -0.13 -0.44 0.08 0.00 0.03 0.00 0.00 46.19 45.72 1xxf s LEU 107 CO 0.02 -0.14 1.20 0.00 0.23 0.00 0.00 176.35 177.66 1xxf s ARG 108 N -2.10 1.68 -0.21 1.70 1.70 -1.26 0.32 118.95 120.77 1xxf s ARG 108 Ca 0.01 1.74 -0.20 0.00 -0.47 0.00 0.00 55.73 56.81 1xxf s ARG 108 Cb -0.08 -1.78 -0.03 0.00 -0.57 0.00 0.00 34.95 32.50 1xxf s ARG 108 CO 0.02 -2.18 0.58 -0.47 -1.08 0.00 0.00 175.30 172.16 1xxf s TYR 109 N -2.16 3.35 -0.28 5.89 6.14 -1.08 -4.45 117.35 124.76 1xxf s TYR 109 Ca 0.73 0.82 -0.02 0.00 0.64 0.00 0.00 57.07 59.24 1xxf s TYR 109 Cb -0.28 -2.75 0.11 0.00 0.42 0.00 0.00 41.96 39.46 1xxf s TYR 109 CO 0.50 -0.19 0.21 1.21 0.64 0.00 0.00 175.55 177.93 1xxf s ASN 110 N 1.27 2.52 0.28 4.32 2.47 -1.26 -4.73 114.94 119.81 1xxf s ASN 110 Ca 0.26 -0.95 0.25 0.00 0.42 0.00 0.00 52.86 52.84 1xxf s ASN 110 Cb -0.16 0.09 0.96 0.00 -1.45 0.00 0.00 41.25 40.69 1xxf s ASN 110 CO 0.10 -0.41 1.75 0.77 -3.72 0.00 0.00 177.10 175.59 1xxf h SER 111 N 8.34 0.00 0.56 -4.21 4.64 -1.87 -3.09 113.55 117.91 1xxf h SER 111 Ca -0.17 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1xxf h SER 111 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1xxf h SER 111 CO 0.38 0.00 -0.26 0.11 -0.87 0.00 0.00 176.83 176.19 1xxf h LYS 112 N 0.00 0.00 -5.17 4.77 1.57 -1.94 -3.44 116.57 112.36 1xxf h LYS 112 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 1xxf h LYS 112 Cb 0.48 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.54 1xxf h LYS 112 CO 0.00 0.26 -0.78 -0.51 -0.57 0.00 0.00 179.45 177.85 1xxf s LEU 113 N -7.41 2.17 0.55 2.94 1.43 -1.17 -5.14 118.68 112.05 1xxf s LEU 113 Ca -0.02 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 1xxf s LEU 113 Cb 0.13 -0.53 -0.06 0.00 0.03 0.00 0.00 46.19 45.76 1xxf s LEU 113 CO 0.65 0.01 0.98 -2.16 0.23 0.00 0.00 176.35 176.06 1xxf s PRO 114 N -1.12 3.73 -0.20 1.29 0.04 -1.26 -4.80 135.00 132.68 1xxf s PRO 114 Ca 0.00 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 61.68 1xxf s PRO 114 Cb -0.08 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1xxf s PRO 114 CO 0.01 -0.39 0.22 0.42 0.04 0.00 0.00 177.00 177.30 1xxf s ILE 115 N -2.88 5.34 -0.17 0.56 1.01 0.11 -4.90 121.20 120.25 1xxf s ILE 115 Ca 0.56 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1xxf s ILE 115 Cb -0.10 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.82 1xxf s ILE 115 CO 0.43 0.37 -0.16 -0.69 0.00 0.00 0.00 174.94 174.89 1xxf s VAL 116 N 0.77 2.43 -0.04 2.92 1.01 -1.26 -0.10 120.40 126.13 1xxf s VAL 116 Ca 0.12 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1xxf s VAL 116 Cb -0.13 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 1xxf s VAL 116 CO 0.03 0.52 -0.15 -0.69 0.00 0.00 0.00 175.10 174.81 1xxf s VAL 117 N 1.13 1.25 -0.20 2.92 1.01 0.17 0.00 120.40 126.68 1xxf s VAL 117 Ca 0.01 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 1xxf s VAL 117 Cb -0.14 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1xxf s VAL 117 CO -0.06 0.37 0.06 -0.31 0.00 0.00 0.00 175.10 175.15 1xxf s TYR 118 N 0.10 3.16 0.18 5.22 1.51 0.88 0.50 117.35 128.90 1xxf s TYR 118 Ca -0.04 -0.13 -0.07 0.00 -1.01 0.00 0.00 57.07 55.82 1xxf s TYR 118 Cb -0.11 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.60 1xxf s TYR 118 CO 0.02 -0.05 0.26 0.95 -1.11 0.00 0.00 175.55 175.62 1xxf s THR 119 N 0.83 0.05 0.81 -0.71 -4.23 -0.98 0.16 115.64 111.57 1xxf s THR 119 Ca 0.03 -1.56 -0.13 0.00 -1.18 0.00 0.00 61.69 58.85 1xxf s THR 119 Cb -0.14 -2.02 0.08 0.00 1.34 0.00 0.00 72.50 71.76 1xxf s THR 119 CO 0.02 -0.23 1.19 -2.84 -0.54 0.00 0.00 174.62 172.22 1xxf s PRO 120 N -4.02 1.66 0.48 3.99 0.02 -1.26 -0.42 135.00 135.45 1xxf s PRO 120 Ca 0.22 1.71 0.22 0.00 0.02 0.00 0.00 61.00 63.17 1xxf s PRO 120 Cb 0.04 -1.78 1.25 0.00 0.02 0.00 0.00 34.50 34.02 1xxf s PRO 120 CO 0.03 -2.19 1.93 -0.44 -0.33 0.00 0.00 177.00 176.00 1xxf h ASP 121 N -0.94 0.20 -0.96 2.53 3.32 -1.79 -2.21 116.42 116.57 1xxf h ASP 121 Ca -0.46 0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.04 1xxf h ASP 121 Cb 1.29 -0.02 -0.29 0.00 0.22 0.00 0.00 39.33 40.53 1xxf h ASP 121 CO 0.46 0.09 0.72 -0.46 -1.72 0.00 0.00 179.24 178.34 1xxf n ASN 122 N -4.41 5.37 -3.94 6.45 6.94 -1.26 -4.89 115.26 119.51 1xxf n ASN 122 Ca 0.15 -3.62 -0.20 0.00 -0.02 0.00 0.00 54.58 50.88 1xxf n ASN 122 Cb 0.66 -0.89 -0.16 0.00 -2.36 0.00 0.00 39.78 37.03 1xxf n ASN 122 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xxf s VAL 123 N -3.78 0.65 0.06 3.53 1.01 -0.83 -4.81 120.40 116.23 1xxf s VAL 123 Ca 0.58 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1xxf s VAL 123 Cb 0.47 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1xxf s VAL 123 CO 0.06 0.23 0.13 -1.81 0.00 0.00 0.00 175.10 173.71 1xxf s ASP 124 N 0.61 5.88 -0.22 3.32 1.01 -0.53 -4.78 116.67 121.95 1xxf s ASP 124 Ca -0.09 0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.30 1xxf s ASP 124 Cb -0.12 -1.69 0.03 0.00 1.01 0.00 0.00 42.92 42.15 1xxf s ASP 124 CO 0.01 0.19 -0.13 -0.69 0.21 0.00 0.00 175.17 174.75 1xxf s VAL 125 N -1.41 2.37 0.31 -1.27 1.01 -1.26 -2.58 120.40 117.56 1xxf s VAL 125 Ca 0.31 -1.13 0.10 0.00 0.00 0.00 0.00 61.98 61.26 1xxf s VAL 125 Cb -0.12 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1xxf s VAL 125 CO 0.23 0.29 -0.04 -0.54 0.00 0.00 0.00 175.10 175.05 1xxf s LYS 126 N 1.26 2.06 0.08 2.72 1.02 0.16 -4.98 119.74 122.06 1xxf s LYS 126 Ca 0.00 -1.66 -0.13 0.00 0.02 0.00 0.00 55.97 54.20 1xxf s LYS 126 Cb -0.16 -1.96 0.02 0.00 -0.52 0.00 0.00 37.83 35.21 1xxf s LYS 126 CO -0.08 0.24 0.31 1.52 -0.92 0.00 0.00 175.35 176.42 1xxf s TYR 127 N -2.46 -0.08 -0.04 3.18 1.13 -1.26 0.12 117.35 117.94 1xxf s TYR 127 Ca 0.33 -0.18 -0.02 0.00 -1.41 0.00 0.00 57.07 55.78 1xxf s TYR 127 Cb -0.03 0.11 0.02 0.00 -1.10 0.00 0.00 41.96 40.97 1xxf s TYR 127 CO 0.19 -0.58 0.09 0.50 -2.51 0.00 0.00 175.55 173.24 1xxf s ARG 128 N -3.27 0.07 0.37 -3.49 3.52 -0.65 -4.96 118.95 110.54 1xxf s ARG 128 Ca -0.00 0.23 -0.24 0.00 -0.13 0.00 0.00 55.73 55.58 1xxf s ARG 128 Cb 0.01 -0.10 -0.10 0.00 -1.56 0.00 0.00 34.95 33.21 1xxf s ARG 128 CO -0.08 -0.10 0.98 0.08 -0.81 0.00 0.00 175.30 175.37 1xxf s VAL 129 N 0.68 4.10 -0.06 7.11 1.01 -1.26 -0.93 120.40 131.05 1xxf s VAL 129 Ca -0.05 1.59 0.04 0.00 0.00 0.00 0.00 61.98 63.56 1xxf s VAL 129 Cb -0.07 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 1xxf s VAL 129 CO -0.03 -0.01 -0.18 0.26 0.00 0.00 0.00 175.10 175.14 1xxf s TRP 130 N -1.76 1.89 -0.06 5.22 0.52 0.96 -4.93 118.94 120.79 1xxf s TRP 130 Ca 0.55 -0.60 0.05 0.00 0.02 0.00 0.00 56.10 56.11 1xxf s TRP 130 Cb -0.17 -1.28 -0.02 0.00 -1.15 0.00 0.00 33.47 30.85 1xxf s TRP 130 CO 0.22 -0.22 -0.19 0.21 0.02 0.00 0.00 176.95 176.99 1xxf s LYS 131 N 0.14 2.54 0.29 4.98 2.20 -1.26 -0.79 119.74 127.83 1xxf s LYS 131 Ca -0.07 -0.78 -0.28 0.00 -0.36 0.00 0.00 55.97 54.47 1xxf s LYS 131 Cb -0.13 -2.30 -0.09 0.00 -1.51 0.00 0.00 37.83 33.80 1xxf s LYS 131 CO 0.04 0.51 0.98 0.00 -0.36 0.00 0.00 175.35 176.52 1xxf s ALA 132 N -0.46 3.29 0.48 3.13 0.00 -0.05 -5.03 121.76 123.12 1xxf s ALA 132 Ca 0.05 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 1xxf s ALA 132 Cb -0.12 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1xxf s ALA 132 CO 0.01 0.09 0.97 -1.21 0.00 0.00 0.00 175.76 175.63 1xxf s GLU 133 N -1.60 4.05 0.28 0.00 2.02 -1.26 -4.98 118.70 117.21 1xxf s GLU 133 Ca 0.46 1.06 0.05 0.00 0.02 0.00 0.00 54.97 56.55 1xxf s GLU 133 Cb -0.25 -2.15 0.42 0.00 0.10 0.00 0.00 34.13 32.26 1xxf s GLU 133 CO 0.31 -0.19 1.70 1.49 0.02 0.00 0.00 175.26 178.59 1xxf h GLU 134 N 1.38 0.33 -7.01 1.61 4.81 -2.02 -3.45 114.58 110.23 1xxf h GLU 134 Ca -0.48 -0.15 -0.47 0.00 -0.13 0.00 0.00 59.36 58.13 1xxf h GLU 134 Cb 1.19 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.58 1xxf h GLU 134 CO 0.61 0.66 0.39 0.21 -0.73 0.00 0.00 179.01 180.15 1xxf s LYS 135 N -4.25 4.03 -0.35 1.92 2.47 -1.26 -5.04 119.74 117.26 1xxf s LYS 135 Ca -0.05 1.42 -0.00 0.00 -1.56 0.00 0.00 55.97 55.77 1xxf s LYS 135 Cb 0.13 -2.34 0.12 0.00 -1.46 0.00 0.00 37.83 34.29 1xxf s LYS 135 CO 0.78 -0.24 0.17 0.42 0.16 0.00 0.00 175.35 176.64 1xxf s ILE 136 N -1.83 0.61 0.60 5.43 1.01 -1.26 -5.12 121.20 120.64 1xxf s ILE 136 Ca 0.62 -1.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 1xxf s ILE 136 Cb -0.19 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1xxf s ILE 136 CO 0.23 -0.83 1.02 -1.81 0.00 0.00 0.00 174.94 173.55 1xxf s ASP 137 N 1.24 6.25 0.10 3.58 1.01 -1.26 -5.07 116.67 122.51 1xxf s ASP 137 Ca 0.14 1.47 0.03 0.00 0.71 0.00 0.00 52.55 54.90 1xxf s ASP 137 Cb -0.21 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1xxf s ASP 137 CO -0.13 -0.85 0.15 0.20 0.21 0.00 0.00 175.17 174.74 1xxf s ASN 138 N -3.90 5.84 0.68 0.27 0.01 -1.26 -5.10 114.94 111.48 1xxf s ASN 138 Ca 0.56 0.06 -0.12 0.00 -0.71 0.00 0.00 52.86 52.66 1xxf s ASN 138 Cb -0.11 -1.65 0.00 0.00 0.41 0.00 0.00 41.25 39.90 1xxf s ASN 138 CO 0.49 0.14 1.06 0.00 -1.51 0.00 0.00 177.10 177.28 1xxf s ALA 139 N -1.53 2.67 -0.17 0.60 0.00 -1.26 -5.04 121.76 117.04 1xxf s ALA 139 Ca 0.32 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 1xxf s ALA 139 Cb -0.12 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1xxf s ALA 139 CO 0.25 -1.16 -0.05 0.08 0.00 0.00 0.00 175.76 174.88 1xxf s VAL 140 N -2.90 3.68 0.00 0.00 1.01 -1.26 -5.08 120.40 115.85 1xxf s VAL 140 Ca 0.59 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1xxf s VAL 140 Cb -0.15 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1xxf s VAL 140 CO 0.51 0.48 1.14 -0.69 0.00 0.00 0.00 175.10 176.54 1xxf s VAL 141 N 0.61 4.32 0.00 2.92 1.01 -1.26 -5.37 120.40 122.64 1xxf s VAL 141 Ca -0.03 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1xxf s VAL 141 Cb -0.15 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1xxf s VAL 141 CO 0.03 0.08 0.00 -2.11 0.00 0.00 0.00 175.10 173.10