#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4e n PRO 5 N 0.00 0.00 0.19 -0.41 -0.04 -1.26 -4.82 135.00 128.66 1j4e n PRO 5 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1j4e n PRO 5 Cb 0.00 -0.54 0.24 0.00 -0.04 0.00 0.00 33.50 33.16 1j4e n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j4e h ALA 6 N 1.99 0.87 -3.10 0.55 0.00 -2.00 -3.45 119.26 114.13 1j4e h ALA 6 Ca -0.14 -0.28 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 1j4e h ALA 6 Cb 0.49 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.03 1j4e h ALA 6 CO 0.36 0.38 -0.73 -0.51 0.00 0.00 0.00 179.25 178.74 1j4e s LEU 7 N -6.55 2.27 0.53 0.00 1.43 -1.26 -4.94 118.68 110.15 1j4e s LEU 7 Ca 0.03 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1j4e s LEU 7 Cb 0.08 -0.14 0.01 0.00 0.03 0.00 0.00 46.19 46.17 1j4e s LEU 7 CO 0.69 -0.23 0.78 0.42 0.23 0.00 0.00 176.35 178.24 1j4e s THR 8 N -1.53 3.56 0.25 5.49 -4.23 -1.26 -4.88 115.64 113.04 1j4e s THR 8 Ca -0.09 -0.35 -0.05 0.00 -1.18 0.00 0.00 61.69 60.02 1j4e s THR 8 Cb -0.09 -3.36 0.24 0.00 1.34 0.00 0.00 72.50 70.63 1j4e s THR 8 CO -0.00 -0.30 1.88 -0.65 -0.54 0.00 0.00 174.62 175.01 1j4e h PRO 9 N 0.10 1.09 -0.99 3.99 0.11 -2.02 -0.11 132.00 134.17 1j4e h PRO 9 Ca -0.45 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1j4e h PRO 9 Cb 1.27 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1j4e h PRO 9 CO 0.58 0.72 0.65 0.93 -0.21 0.00 0.00 178.00 180.67 1j4e h GLU 10 N 1.12 1.28 -0.22 1.05 3.07 -2.00 -0.83 114.58 118.05 1j4e h GLU 10 Ca 0.39 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 59.07 1j4e h GLU 10 Cb 0.09 -0.29 -0.00 0.00 -0.84 0.00 0.00 28.75 27.71 1j4e h GLU 10 CO -0.15 0.84 -0.27 1.96 -1.40 0.00 0.00 179.01 179.99 1j4e h GLN 11 N 1.31 0.57 -0.45 2.33 4.20 -1.73 -2.46 115.11 118.89 1j4e h GLN 11 Ca 0.37 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.79 1j4e h GLN 11 Cb -0.11 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1j4e h GLN 11 CO -0.09 0.92 0.23 0.87 -0.67 0.00 0.00 178.83 180.09 1j4e h LYS 12 N 0.26 0.44 -0.89 1.46 1.57 -0.65 -1.59 116.57 117.17 1j4e h LYS 12 Ca 0.03 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1j4e h LYS 12 Cb 0.84 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 1j4e h LYS 12 CO 0.06 0.29 0.59 -0.22 -0.57 0.00 0.00 179.45 179.60 1j4e h LYS 13 N 0.45 1.16 -0.46 3.15 3.64 -1.11 0.06 116.57 123.46 1j4e h LYS 13 Ca 0.19 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1j4e h LYS 13 Cb 0.09 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1j4e h LYS 13 CO -0.13 0.77 0.19 1.49 -2.27 0.00 0.00 179.45 179.50 1j4e h GLU 14 N 1.20 0.69 -0.31 1.90 4.81 -0.92 -0.18 114.58 121.76 1j4e h GLU 14 Ca 0.33 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1j4e h GLU 14 Cb -0.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1j4e h GLU 14 CO -0.07 0.61 0.12 -0.07 -0.73 0.00 0.00 179.01 178.87 1j4e h LEU 15 N 0.60 0.43 -0.08 1.64 3.38 -0.87 -1.81 115.31 118.60 1j4e h LEU 15 Ca 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j4e h LEU 15 Cb 0.18 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1j4e h LEU 15 CO -0.01 0.48 0.05 -1.28 0.09 0.00 0.00 178.44 177.77 1j4e h SER 16 N 0.35 0.09 -0.35 -0.43 0.87 -0.83 -0.92 113.55 112.33 1j4e h SER 16 Ca 0.10 -0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 1j4e h SER 16 Cb 0.19 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 1j4e h SER 16 CO -0.01 0.07 0.06 0.44 -0.53 0.00 0.00 176.83 176.86 1j4e h ASP 17 N 0.10 -0.01 -0.31 6.23 3.32 -0.91 -0.35 116.42 124.49 1j4e h ASP 17 Ca 0.03 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1j4e h ASP 17 Cb -0.01 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1j4e h ASP 17 CO -0.01 0.03 0.13 0.40 -1.72 0.00 0.00 179.24 178.08 1j4e h ILE 18 N 0.18 0.95 -0.17 0.35 2.04 -1.11 -1.37 117.51 118.38 1j4e h ILE 18 Ca 0.17 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1j4e h ILE 18 Cb 0.20 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1j4e h ILE 18 CO -0.23 0.05 -0.01 0.00 0.00 0.00 0.00 178.15 177.97 1j4e h ALA 19 N 1.18 0.14 -0.67 1.87 0.00 -0.44 -2.25 119.26 119.09 1j4e h ALA 19 Ca 0.13 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1j4e h ALA 19 Cb 0.08 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1j4e h ALA 19 CO -0.12 -0.45 0.25 0.45 0.00 0.00 0.00 179.25 179.38 1j4e h HIS 20 N 0.04 1.01 -0.54 0.00 3.86 -0.86 -2.83 115.15 115.83 1j4e h HIS 20 Ca 0.08 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1j4e h HIS 20 Cb 0.10 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 1j4e h HIS 20 CO -0.17 0.78 0.36 -0.09 0.86 0.00 0.00 177.93 179.67 1j4e h ARG 21 N 0.97 0.71 -0.80 2.45 2.43 -0.93 -0.68 114.38 118.52 1j4e h ARG 21 Ca 0.22 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1j4e h ARG 21 Cb 0.22 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 1j4e h ARG 21 CO -0.02 0.47 0.51 0.82 -1.51 0.00 0.00 179.97 180.25 1j4e h ILE 22 N 0.73 1.12 -0.34 1.20 2.04 -1.17 -3.05 117.51 118.04 1j4e h ILE 22 Ca 0.20 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1j4e h ILE 22 Cb -0.08 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 1j4e h ILE 22 CO -0.04 0.18 0.01 1.33 0.00 0.00 0.00 178.15 179.63 1j4e n VAL 23 N -4.59 2.42 -1.05 1.67 0.24 -1.11 -4.22 118.33 111.69 1j4e n VAL 23 Ca 0.10 -1.86 -0.35 0.00 -2.04 0.00 0.00 64.34 60.18 1j4e n VAL 23 Cb 0.09 -0.27 0.07 0.00 -1.47 0.00 0.00 33.84 32.26 1j4e n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j4e n ALA 24 N -0.37 -3.01 -1.57 2.33 0.00 -0.28 -4.63 120.51 112.98 1j4e n ALA 24 Ca 0.24 -0.45 -0.58 0.00 0.00 0.00 0.00 53.44 52.66 1j4e n ALA 24 Cb 0.98 -1.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 1j4e n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1j4e n PRO 25 N -0.01 0.46 -0.59 0.00 -0.02 -1.26 -0.84 135.00 132.74 1j4e n PRO 25 Ca 0.06 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1j4e n PRO 25 Cb 0.52 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1j4e n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j4e n GLY 26 N 2.29 1.45 3.88 -1.23 0.00 -1.26 -5.01 105.19 105.31 1j4e n GLY 26 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1j4e n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4e s LYS 27 N -0.10 3.27 0.06 1.61 1.02 -0.02 -4.51 119.74 121.07 1j4e s LYS 27 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1j4e s LYS 27 Cb 0.00 -2.92 -0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1j4e s LYS 27 CO 0.00 0.57 0.07 0.41 -0.92 0.00 0.00 175.35 175.48 1j4e n GLY 28 N 0.06 3.36 3.46 -3.33 0.00 -0.49 -4.64 105.19 103.60 1j4e n GLY 28 Ca -0.07 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 1j4e n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4e s ILE 29 N -2.39 2.91 -0.38 -0.61 1.01 0.17 -0.05 121.20 121.87 1j4e s ILE 29 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 1j4e s ILE 29 Cb 0.00 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.33 1j4e s ILE 29 CO 0.05 0.51 0.24 -0.22 0.00 0.00 0.00 174.94 175.52 1j4e s LEU 30 N -0.94 4.80 -1.00 2.97 2.96 -0.02 -2.16 118.68 125.28 1j4e s LEU 30 Ca 0.12 -0.90 -0.17 0.00 -0.22 0.00 0.00 54.13 52.96 1j4e s LEU 30 Cb -0.11 -2.07 0.14 0.00 0.50 0.00 0.00 46.19 44.66 1j4e s LEU 30 CO 0.02 -0.39 1.20 0.00 -1.32 0.00 0.00 176.35 175.86 1j4e s ALA 31 N 1.61 3.56 -0.48 5.97 0.00 0.51 -1.01 121.76 131.91 1j4e s ALA 31 Ca 0.03 -2.94 0.03 0.00 0.00 0.00 0.00 51.96 49.08 1j4e s ALA 31 Cb -0.19 -4.05 0.52 0.00 0.00 0.00 0.00 23.12 19.40 1j4e s ALA 31 CO 0.08 -2.91 1.77 0.00 0.00 0.00 0.00 175.76 174.71 1j4e n ALA 32 N 6.23 5.57 -0.52 0.00 0.00 -0.79 -4.25 120.51 126.75 1j4e n ALA 32 Ca 0.27 -3.31 -0.04 0.00 0.00 0.00 0.00 53.44 50.36 1j4e n ALA 32 Cb 0.47 -1.28 0.24 0.00 0.00 0.00 0.00 19.45 18.89 1j4e n ALA 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j4e n ASP 33 N -0.99 4.20 -4.72 0.00 5.75 -1.03 -4.23 116.55 115.53 1j4e n ASP 33 Ca 0.54 -2.89 -0.43 0.00 -0.01 0.00 0.00 54.79 51.99 1j4e n ASP 33 Cb 1.05 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 40.43 1j4e n ASP 33 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1j4e n GLU 34 N 0.01 2.51 -1.37 0.11 4.71 -1.26 -4.49 120.64 120.87 1j4e n GLU 34 Ca 0.30 0.90 -0.30 0.00 -0.01 0.00 0.00 57.16 58.05 1j4e n GLU 34 Cb 1.13 -2.67 0.22 0.00 -1.01 0.00 0.00 31.44 29.11 1j4e n GLU 34 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1j4e s SER 35 N 0.64 1.59 0.30 1.62 1.04 -1.26 -4.54 113.70 113.08 1j4e s SER 35 Ca 0.69 0.48 -0.00 0.00 0.48 0.00 0.00 55.95 57.60 1j4e s SER 35 Cb -0.55 -0.64 0.49 0.00 0.10 0.00 0.00 66.02 65.42 1j4e s SER 35 CO 0.44 -3.69 1.92 0.74 0.98 0.00 0.00 173.24 173.63 1j4e h THR 36 N -2.29 1.11 -0.25 2.02 2.02 -1.99 -0.23 112.91 113.30 1j4e h THR 36 Ca -0.44 -0.37 -0.15 0.00 0.77 0.00 0.00 66.41 66.22 1j4e h THR 36 Cb 1.27 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1j4e h THR 36 CO 0.34 0.20 -0.43 1.23 0.37 0.00 0.00 175.52 177.23 1j4e h GLY 37 N 1.07 0.80 0.72 2.16 0.00 -1.99 -2.46 103.07 103.36 1j4e h GLY 37 Ca 0.37 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1j4e h GLY 37 CO -0.12 0.82 -0.17 1.76 0.00 0.00 0.00 176.54 178.83 1j4e h SER 38 N 0.46 -0.41 -0.03 0.19 0.02 -1.77 -2.89 113.55 109.12 1j4e h SER 38 Ca 0.02 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1j4e h SER 38 Cb 1.03 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 1j4e h SER 38 CO 0.10 -0.08 0.04 -0.29 -1.14 0.00 0.00 176.83 175.46 1j4e h ILE 39 N -0.77 0.52 -0.50 3.27 6.09 -1.17 -0.89 117.51 124.06 1j4e h ILE 39 Ca -0.05 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.43 1j4e h ILE 39 Cb 0.52 0.97 -0.02 0.00 0.47 0.00 0.00 36.82 38.75 1j4e h ILE 39 CO 0.08 0.00 0.29 0.00 -3.07 0.00 0.00 178.15 175.45 1j4e h ALA 40 N 1.95 0.64 -0.42 0.18 0.00 -1.23 0.34 119.26 120.72 1j4e h ALA 40 Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1j4e h ALA 40 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1j4e h ALA 40 CO -0.00 0.14 0.27 0.87 0.00 0.00 0.00 179.25 180.54 1j4e h LYS 41 N 0.67 0.54 0.30 0.00 1.79 -1.10 -0.55 116.57 118.21 1j4e h LYS 41 Ca 0.18 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1j4e h LYS 41 Cb 0.02 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 1j4e h LYS 41 CO -0.03 0.36 -0.48 0.00 -1.08 0.00 0.00 179.45 178.22 1j4e h ARG 42 N 0.56 -0.80 -0.82 3.15 2.47 -1.13 -1.72 114.38 116.09 1j4e h ARG 42 Ca 0.16 0.05 0.08 0.00 -1.26 0.00 0.00 59.98 59.01 1j4e h ARG 42 Cb -0.05 0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 28.40 1j4e h ARG 42 CO -0.04 -0.53 0.53 -0.07 0.56 0.00 0.00 179.97 180.42 1j4e h LEU 43 N -0.83 0.74 -0.16 3.04 3.38 -0.80 -2.13 115.31 118.54 1j4e h LEU 43 Ca -0.02 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1j4e h LEU 43 Cb 0.78 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1j4e h LEU 43 CO -0.17 0.46 -0.07 -0.61 0.09 0.00 0.00 178.44 178.14 1j4e h GLN 44 N 0.83 -0.05 0.00 1.13 4.15 -0.42 -1.64 115.11 119.11 1j4e h GLN 44 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.79 1j4e h GLN 44 Cb 0.33 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1j4e h GLN 44 CO -0.14 -0.04 0.08 -1.13 -1.93 0.00 0.00 178.83 175.67 1j4e n SER 45 N -5.22 0.00 -1.82 -0.69 3.41 -0.71 -0.59 113.62 108.00 1j4e n SER 45 Ca -0.03 0.20 0.02 0.00 -0.26 0.00 0.00 58.87 58.79 1j4e n SER 45 Cb 0.14 -0.20 0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1j4e n SER 45 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1j4e n ILE 46 N -1.13 0.71 -4.20 -1.33 -5.35 -0.69 -5.02 119.36 102.34 1j4e n ILE 46 Ca 0.00 -1.93 -0.34 0.00 -0.27 0.00 0.00 62.75 60.21 1j4e n ILE 46 Cb 0.08 0.86 -0.06 0.00 -1.74 0.00 0.00 39.64 38.77 1j4e n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j4e n GLY 47 N -0.03 -0.30 3.16 3.28 0.00 0.24 -4.63 105.19 106.90 1j4e n GLY 47 Ca 0.09 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 1j4e n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j4e s THR 48 N -4.13 1.83 0.40 2.61 2.01 -0.75 -4.98 115.64 112.63 1j4e s THR 48 Ca 0.13 -0.87 -0.27 0.00 0.31 0.00 0.00 61.69 60.99 1j4e s THR 48 Cb -0.07 -1.60 -0.10 0.00 0.01 0.00 0.00 72.50 70.73 1j4e s THR 48 CO 0.95 0.51 1.45 -0.70 -0.69 0.00 0.00 174.62 176.14 1j4e s GLU 49 N 0.56 3.98 -1.26 4.92 2.12 -1.26 -4.12 118.70 123.63 1j4e s GLU 49 Ca -0.15 2.49 -0.13 0.00 0.36 0.00 0.00 54.97 57.54 1j4e s GLU 49 Cb -0.17 -2.86 0.15 0.00 0.26 0.00 0.00 34.13 31.51 1j4e s GLU 49 CO 0.05 -0.61 1.65 -1.71 -0.54 0.00 0.00 175.26 174.10 1j4e n ASN 50 N 0.25 5.07 -4.95 -1.70 5.15 -1.26 -4.80 115.26 113.01 1j4e n ASN 50 Ca 0.02 -3.00 -0.19 0.00 -0.60 0.00 0.00 54.58 50.81 1j4e n ASN 50 Cb 0.40 -1.57 -0.00 0.00 -0.53 0.00 0.00 39.78 38.08 1j4e n ASN 50 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1j4e s THR 51 N 1.65 2.79 0.07 -0.44 -4.23 -1.26 -5.01 115.64 109.21 1j4e s THR 51 Ca 0.44 -1.15 -0.17 0.00 -1.18 0.00 0.00 61.69 59.62 1j4e s THR 51 Cb 0.03 -2.94 -0.13 0.00 1.34 0.00 0.00 72.50 70.80 1j4e s THR 51 CO 0.01 0.00 1.35 -0.08 -0.54 0.00 0.00 174.62 175.36 1j4e h GLU 52 N 0.78 0.56 -0.61 3.99 4.81 -1.99 -2.48 114.58 119.64 1j4e h GLU 52 Ca -0.40 -0.34 0.02 0.00 -0.13 0.00 0.00 59.36 58.51 1j4e h GLU 52 Cb 1.28 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 1j4e h GLU 52 CO 0.50 0.94 0.39 1.49 -0.73 0.00 0.00 179.01 181.60 1j4e h GLU 53 N 0.24 0.75 -0.97 1.92 4.57 -1.97 0.30 114.58 119.42 1j4e h GLU 53 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1j4e h GLU 53 Cb 0.89 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.26 1j4e h GLU 53 CO 0.07 0.50 0.61 -0.91 -1.18 0.00 0.00 179.01 178.10 1j4e h ASN 54 N 0.77 1.13 -0.07 1.04 2.35 -1.86 0.22 115.58 119.16 1j4e h ASN 54 Ca 0.24 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1j4e h ASN 54 Cb -0.03 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.06 1j4e h ASN 54 CO -0.08 0.84 0.00 0.03 -1.65 0.00 0.00 177.43 176.57 1j4e h ARG 55 N 1.32 0.12 -0.50 0.81 3.08 -0.83 -1.76 114.38 116.61 1j4e h ARG 55 Ca 0.35 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.41 1j4e h ARG 55 Cb -0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1j4e h ARG 55 CO -0.07 0.38 0.25 -0.09 -1.07 0.00 0.00 179.97 179.37 1j4e h ARG 56 N -0.16 0.47 -0.90 0.04 2.43 0.06 -0.20 114.38 116.12 1j4e h ARG 56 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1j4e h ARG 56 Cb 0.33 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1j4e h ARG 56 CO 0.00 0.31 0.57 0.35 -1.51 0.00 0.00 179.97 179.70 1j4e h PHE 57 N 0.49 1.17 -0.21 2.20 3.57 -0.53 0.16 116.94 123.78 1j4e h PHE 57 Ca 0.22 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1j4e h PHE 57 Cb 0.14 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1j4e h PHE 57 CO -0.11 0.76 -0.02 -0.92 -2.23 0.00 0.00 178.31 175.79 1j4e h TYR 58 N 1.24 0.43 -0.61 0.41 3.20 -0.58 0.16 116.97 121.22 1j4e h TYR 58 Ca 0.33 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 1j4e h TYR 58 Cb -0.09 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1j4e h TYR 58 CO -0.00 0.60 0.18 0.00 -1.64 0.00 0.00 178.16 177.30 1j4e h ARG 59 N 0.13 0.92 -0.12 1.82 -0.00 -0.81 -2.27 114.38 114.05 1j4e h ARG 59 Ca 0.06 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.98 59.36 1j4e h ARG 59 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.27 1j4e h ARG 59 CO 0.02 0.80 0.08 0.37 0.00 0.00 0.00 179.97 181.23 1j4e h GLN 60 N 0.89 0.17 -0.84 0.04 4.15 -0.44 0.49 115.11 119.57 1j4e h GLN 60 Ca 0.20 -0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.81 1j4e h GLN 60 Cb 0.27 -0.04 -0.12 0.00 0.21 0.00 0.00 27.48 27.80 1j4e h GLN 60 CO -0.01 0.14 0.29 1.25 -1.93 0.00 0.00 178.83 178.57 1j4e h LEU 61 N 0.14 0.16 0.19 -2.39 6.46 -0.13 -0.43 115.31 119.31 1j4e h LEU 61 Ca 0.04 0.16 -0.26 0.00 -0.12 0.00 0.00 57.88 57.71 1j4e h LEU 61 Cb 0.02 0.18 0.03 0.00 -0.73 0.00 0.00 40.66 40.16 1j4e h LEU 61 CO -0.01 -0.04 -1.13 -0.07 -0.62 0.00 0.00 178.44 176.57 1j4e h LEU 62 N 0.32 0.63 -1.20 2.25 3.38 -1.15 -3.32 115.31 116.22 1j4e h LEU 62 Ca 0.51 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1j4e h LEU 62 Cb 0.94 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1j4e h LEU 62 CO -0.55 1.55 0.00 -0.07 0.09 0.00 0.00 178.44 179.46 1j4e h LEU 63 N -0.14 0.00 -3.17 1.67 3.38 -0.34 -3.18 115.31 113.52 1j4e h LEU 63 Ca -0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1j4e h LEU 63 Cb 1.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 1j4e h LEU 63 CO 0.20 0.00 -0.01 0.35 0.09 0.00 0.00 178.44 179.07 1j4e n THR 64 N -2.67 2.16 -1.00 0.22 -2.24 -0.22 -4.71 114.28 105.81 1j4e n THR 64 Ca 0.01 -2.08 -0.33 0.00 -2.27 0.00 0.00 64.05 59.38 1j4e n THR 64 Cb 0.25 -0.25 0.13 0.00 -2.10 0.00 0.00 70.33 68.36 1j4e n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j4e n ALA 65 N -0.88 -0.41 -0.69 6.98 0.00 -1.21 -4.91 120.51 119.38 1j4e n ALA 65 Ca 0.20 -0.39 -0.32 0.00 0.00 0.00 0.00 53.44 52.93 1j4e n ALA 65 Cb 0.81 -2.19 0.16 0.00 0.00 0.00 0.00 19.45 18.23 1j4e n ALA 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j4e n ASP 66 N -3.24 -2.14 0.00 0.00 5.68 -1.26 -4.82 116.55 110.77 1j4e n ASP 66 Ca 0.13 0.04 0.04 0.00 -0.50 0.00 0.00 54.79 54.49 1j4e n ASP 66 Cb 0.51 -1.08 0.21 0.00 -1.14 0.00 0.00 41.12 39.62 1j4e n ASP 66 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1j4e n ASP 67 N -1.95 0.00 0.25 -1.12 8.00 -1.26 -2.83 116.55 117.64 1j4e n ASP 67 Ca 0.03 -0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.55 1j4e n ASP 67 Cb 0.58 -0.11 0.63 0.00 -0.02 0.00 0.00 41.12 42.21 1j4e n ASP 67 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1j4e h ARG 68 N 0.00 0.00 0.00 -1.24 3.08 -2.00 -1.82 114.38 112.40 1j4e h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j4e h ARG 68 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1j4e h ARG 68 CO 0.00 0.17 0.00 -0.24 -1.07 0.00 0.00 179.97 178.83 1j4e h VAL 69 N 0.00 0.00 -0.17 2.04 3.04 -1.85 -3.38 116.25 115.93 1j4e h VAL 69 Ca -0.00 -0.50 0.05 0.00 -1.01 0.00 0.00 66.70 65.24 1j4e h VAL 69 Cb 0.44 1.49 -0.07 0.00 -2.01 0.00 0.00 31.29 31.14 1j4e h VAL 69 CO 0.02 0.00 -0.37 0.78 -1.01 0.00 0.00 177.57 176.99 1j4e h ASN 70 N 0.00 -1.16 0.46 3.17 4.21 -1.55 -1.29 115.58 119.43 1j4e h ASN 70 Ca 0.00 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1j4e h ASN 70 Cb 0.74 0.49 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 1j4e h ASN 70 CO 0.00 -0.39 0.00 -0.81 -1.29 0.00 0.00 177.43 174.94 1j4e n PRO 71 N -5.42 0.03 0.00 0.81 -0.04 -1.26 -2.78 135.00 126.34 1j4e n PRO 71 Ca -0.03 0.31 0.01 0.00 -0.04 0.00 0.00 63.50 63.75 1j4e n PRO 71 Cb 0.34 -1.57 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 1j4e n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j4e n ALA 72 N -1.55 2.05 -3.36 0.55 0.00 -0.58 -4.25 120.51 113.36 1j4e n ALA 72 Ca 0.03 -0.67 -0.45 0.00 0.00 0.00 0.00 53.44 52.35 1j4e n ALA 72 Cb 0.16 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 1j4e n ALA 72 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j4e s ILE 73 N -2.98 4.93 -0.37 0.00 -1.09 -0.64 -1.40 121.20 119.65 1j4e s ILE 73 Ca -0.05 -1.57 0.22 0.00 -2.23 0.00 0.00 60.65 57.02 1j4e s ILE 73 Cb 0.09 -4.18 0.26 0.00 -1.58 0.00 0.00 42.46 37.05 1j4e s ILE 73 CO 0.83 -0.84 1.52 1.23 -1.23 0.00 0.00 174.94 176.46 1j4e h GLY 74 N 8.77 0.00 -3.43 6.18 0.00 -0.63 -3.38 103.07 110.57 1j4e h GLY 74 Ca -0.28 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.22 1j4e h GLY 74 CO 0.99 0.00 0.61 -0.32 0.00 0.00 0.00 176.54 177.82 1j4e s GLY 75 N -4.27 -0.39 -0.04 4.60 0.00 -1.03 -1.65 107.32 104.53 1j4e s GLY 75 Ca 0.06 1.16 -0.01 0.00 0.00 0.00 0.00 44.72 45.93 1j4e s GLY 75 CO 0.69 0.38 0.08 0.54 0.00 0.00 0.00 173.10 174.80 1j4e s VAL 76 N -2.87 -0.06 -0.05 1.40 0.11 -0.79 -0.84 120.40 117.30 1j4e s VAL 76 Ca 0.07 0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 59.13 1j4e s VAL 76 Cb -0.01 -0.15 -0.05 0.00 -1.53 0.00 0.00 36.38 34.64 1j4e s VAL 76 CO -0.07 0.09 0.61 -0.63 -3.33 0.00 0.00 175.10 171.77 1j4e s ILE 77 N 1.21 5.00 0.23 7.04 1.01 -0.18 -0.79 121.20 134.72 1j4e s ILE 77 Ca -0.08 1.27 0.11 0.00 0.00 0.00 0.00 60.65 61.95 1j4e s ILE 77 Cb -0.12 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 1j4e s ILE 77 CO -0.04 0.34 -0.17 -0.76 0.00 0.00 0.00 174.94 174.31 1j4e s LEU 78 N 0.30 2.68 0.33 2.97 1.43 0.16 -1.89 118.68 124.66 1j4e s LEU 78 Ca 0.32 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 1j4e s LEU 78 Cb -0.18 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1j4e s LEU 78 CO 0.16 0.08 0.62 0.12 0.23 0.00 0.00 176.35 177.56 1j4e s PHE 79 N -2.03 3.48 0.21 0.29 5.36 -1.26 -1.72 117.98 122.31 1j4e s PHE 79 Ca 0.26 0.72 -0.21 0.00 -0.96 0.00 0.00 56.93 56.74 1j4e s PHE 79 Cb -0.07 -2.18 0.15 0.00 -0.34 0.00 0.00 43.02 40.58 1j4e s PHE 79 CO 0.14 0.07 1.56 1.25 -1.46 0.00 0.00 175.22 176.78 1j4e h HIS 80 N 1.41 -1.23 -0.04 10.12 6.17 -1.93 -2.25 115.15 127.41 1j4e h HIS 80 Ca -0.48 0.10 0.02 0.00 0.71 0.00 0.00 60.37 60.73 1j4e h HIS 80 Cb 1.19 0.66 -0.06 0.00 2.52 0.00 0.00 27.41 31.73 1j4e h HIS 80 CO 0.58 -0.40 -0.54 1.49 0.71 0.00 0.00 177.93 179.77 1j4e h GLU 81 N -0.05 -0.63 -0.76 5.26 4.81 -1.98 -2.59 114.58 118.64 1j4e h GLU 81 Ca 0.28 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.70 1j4e h GLU 81 Cb 0.56 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.98 1j4e h GLU 81 CO -0.91 -0.42 0.30 1.15 -0.73 0.00 0.00 179.01 178.40 1j4e h THR 82 N -0.65 0.64 -0.18 0.32 2.02 -1.82 -0.47 112.91 112.76 1j4e h THR 82 Ca 0.02 -0.15 0.05 0.00 0.77 0.00 0.00 66.41 67.10 1j4e h THR 82 Cb 0.71 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1j4e h THR 82 CO -0.38 0.08 0.41 0.25 0.37 0.00 0.00 175.52 176.25 1j4e h LEU 83 N 0.43 0.00 -3.07 2.58 5.85 -1.02 0.12 115.31 120.20 1j4e h LEU 83 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1j4e h LEU 83 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1j4e h LEU 83 CO -0.42 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.46 1j4e n TYR 84 N -3.22 0.56 -3.08 1.25 4.01 -0.20 -4.51 117.16 111.97 1j4e n TYR 84 Ca 0.02 -0.71 -0.19 0.00 -0.16 0.00 0.00 57.90 56.86 1j4e n TYR 84 Cb 0.51 -0.16 0.01 0.00 -0.31 0.00 0.00 39.34 39.39 1j4e n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1j4e s GLN 85 N -1.97 2.88 0.10 -0.72 -0.21 0.42 -4.98 119.66 115.18 1j4e s GLN 85 Ca 0.30 -1.04 0.05 0.00 0.02 0.00 0.00 55.36 54.69 1j4e s GLN 85 Cb 0.22 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 1j4e s GLN 85 CO 0.10 -0.25 -0.14 0.15 -2.12 0.00 0.00 175.29 173.03 1j4e s LYS 86 N -4.38 0.92 0.72 2.91 1.02 -1.26 -1.37 119.74 118.30 1j4e s LYS 86 Ca 0.52 -1.10 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 1j4e s LYS 86 Cb -0.10 -0.86 0.03 0.00 -0.52 0.00 0.00 37.83 36.38 1j4e s LYS 86 CO 0.34 0.18 1.11 0.00 -0.92 0.00 0.00 175.35 176.05 1j4e s ALA 87 N -1.71 2.83 0.38 5.17 0.00 -0.26 -4.88 121.76 123.29 1j4e s ALA 87 Ca 0.03 -0.38 0.16 0.00 0.00 0.00 0.00 51.96 51.77 1j4e s ALA 87 Cb -0.07 -3.02 1.03 0.00 0.00 0.00 0.00 23.12 21.05 1j4e s ALA 87 CO 0.02 -1.24 1.78 -0.44 0.00 0.00 0.00 175.76 175.88 1j4e h ASP 88 N -0.73 0.51 0.00 0.00 3.32 -1.98 0.40 116.42 117.94 1j4e h ASP 88 Ca -0.45 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1j4e h ASP 88 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1j4e h ASP 88 CO 0.64 0.12 0.00 -0.90 -1.72 0.00 0.00 179.24 177.38 1j4e n ASP 89 N -4.66 0.00 0.00 6.45 5.68 -1.26 -4.85 116.55 117.91 1j4e n ASP 89 Ca 0.25 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1j4e n ASP 89 Cb 0.80 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 1j4e n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j4e n GLY 90 N 0.26 2.86 3.75 6.12 0.00 0.14 -5.02 105.19 113.30 1j4e n GLY 90 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1j4e n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4e s ARG 91 N -0.28 4.31 0.26 1.61 0.52 -1.26 -4.67 118.95 119.44 1j4e s ARG 91 Ca 0.00 2.23 -0.30 0.00 -0.52 0.00 0.00 55.73 57.15 1j4e s ARG 91 Cb 0.00 -3.12 -0.10 0.00 0.52 0.00 0.00 34.95 32.25 1j4e s ARG 91 CO 0.00 -0.34 1.40 -2.14 0.02 0.00 0.00 175.30 174.25 1j4e s PRO 92 N -0.64 4.29 0.29 3.54 0.02 -1.26 -1.10 135.00 140.13 1j4e s PRO 92 Ca 0.56 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.85 1j4e s PRO 92 Cb -0.40 -3.11 0.68 0.00 0.02 0.00 0.00 34.50 31.69 1j4e s PRO 92 CO 0.44 -0.36 1.61 0.74 -0.33 0.00 0.00 177.00 179.10 1j4e h PHE 93 N 4.73 0.07 -0.72 6.54 0.04 -1.49 0.62 116.94 126.72 1j4e h PHE 93 Ca -0.46 0.06 0.18 0.00 2.80 0.00 0.00 57.97 60.54 1j4e h PHE 93 Cb 1.22 0.12 -0.04 0.00 2.20 0.00 0.00 35.95 39.45 1j4e h PHE 93 CO 0.59 -0.33 0.50 -1.35 -0.60 0.00 0.00 178.31 177.12 1j4e h PRO 94 N 0.08 0.18 -0.18 1.51 0.11 -1.85 -0.23 132.00 131.63 1j4e h PRO 94 Ca 0.55 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.52 1j4e h PRO 94 Cb 1.10 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1j4e h PRO 94 CO -0.79 0.12 -0.38 0.37 -0.21 0.00 0.00 178.00 177.10 1j4e h GLN 95 N 0.19 0.57 0.18 1.05 4.15 -0.11 -0.92 115.11 120.23 1j4e h GLN 95 Ca 0.35 -0.38 0.01 0.00 0.77 0.00 0.00 58.65 59.40 1j4e h GLN 95 Cb 1.10 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 1j4e h GLN 95 CO -0.06 0.99 -0.22 0.28 -1.93 0.00 0.00 178.83 177.89 1j4e h VAL 96 N 0.23 0.52 -0.52 2.39 2.07 -0.76 0.26 116.25 120.45 1j4e h VAL 96 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1j4e h VAL 96 Cb 0.99 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1j4e h VAL 96 CO 0.08 0.00 0.18 0.40 0.02 0.00 0.00 177.57 178.26 1j4e h ILE 97 N -0.45 0.82 -0.04 4.57 2.04 -1.25 -1.90 117.51 121.30 1j4e h ILE 97 Ca 0.01 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1j4e h ILE 97 Cb 0.43 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1j4e h ILE 97 CO -0.08 0.07 -0.40 0.50 0.00 0.00 0.00 178.15 178.24 1j4e h LYS 98 N 0.36 0.07 0.00 2.37 3.64 -0.72 -2.19 116.57 120.11 1j4e h LYS 98 Ca 0.25 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1j4e h LYS 98 Cb 0.28 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1j4e h LYS 98 CO -0.26 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 178.05 1j4e h SER 99 N 0.06 0.00 -0.54 4.20 4.64 0.30 -2.74 113.55 119.47 1j4e h SER 99 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j4e h SER 99 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1j4e h SER 99 CO 0.06 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 1j4e n LYS 100 N -2.73 2.45 -0.45 4.77 5.02 -0.97 -4.94 118.16 121.31 1j4e n LYS 100 Ca 0.03 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.09 1j4e n LYS 100 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1j4e n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j4e n GLY 101 N 1.50 0.74 3.70 0.72 0.00 -1.03 -4.69 105.19 106.12 1j4e n GLY 101 Ca 0.21 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1j4e n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j4e s GLY 102 N -2.29 1.62 0.10 -0.02 0.00 -0.84 -4.81 107.32 101.08 1j4e s GLY 102 Ca 0.00 -1.49 -0.13 0.00 0.00 0.00 0.00 44.72 43.10 1j4e s GLY 102 CO 0.00 -1.54 0.47 0.14 0.00 0.00 0.00 173.10 172.18 1j4e s VAL 103 N -2.07 4.97 -0.10 1.40 1.01 -0.66 -3.80 120.40 121.15 1j4e s VAL 103 Ca 0.30 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.77 1j4e s VAL 103 Cb -0.08 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1j4e s VAL 103 CO 0.21 0.32 0.57 -0.69 0.00 0.00 0.00 175.10 175.50 1j4e s VAL 104 N -1.38 5.13 0.11 2.92 1.01 -1.26 -1.88 120.40 125.05 1j4e s VAL 104 Ca 0.34 1.15 0.09 0.00 0.00 0.00 0.00 61.98 63.56 1j4e s VAL 104 Cb -0.15 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1j4e s VAL 104 CO 0.18 0.30 -0.20 -0.83 0.00 0.00 0.00 175.10 174.54 1j4e s GLY 105 N 0.68 1.65 -0.05 4.51 0.00 0.03 -0.87 107.32 113.27 1j4e s GLY 105 Ca 0.31 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.68 1j4e s GLY 105 CO 0.13 -1.34 -0.09 -1.50 0.00 0.00 0.00 173.10 170.30 1j4e s ILE 106 N -1.10 0.89 -0.01 0.90 1.10 -0.33 0.35 121.20 122.99 1j4e s ILE 106 Ca 0.17 -0.34 -0.30 0.00 -0.51 0.00 0.00 60.65 59.67 1j4e s ILE 106 Cb -0.10 -0.84 -0.03 0.00 0.15 0.00 0.00 42.46 41.64 1j4e s ILE 106 CO 0.09 0.30 0.99 -0.75 -2.11 0.00 0.00 174.94 173.46 1j4e s LYS 107 N 0.73 4.54 0.00 3.50 2.20 -0.70 -2.20 119.74 127.80 1j4e s LYS 107 Ca -0.13 1.43 0.06 0.00 -0.36 0.00 0.00 55.97 56.98 1j4e s LYS 107 Cb -0.15 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1j4e s LYS 107 CO 0.02 -0.09 0.36 1.33 -0.36 0.00 0.00 175.35 176.61 1j4e n VAL 108 N 3.98 0.00 -2.63 4.02 0.24 -0.95 -4.62 118.33 118.37 1j4e n VAL 108 Ca 0.06 -0.38 -0.34 0.00 -2.04 0.00 0.00 64.34 61.64 1j4e n VAL 108 Cb 0.51 1.03 -0.05 0.00 -1.47 0.00 0.00 33.84 33.86 1j4e n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1j4e s ASP 109 N -1.39 6.58 -0.53 -1.34 1.47 -1.25 -4.82 116.67 115.40 1j4e s ASP 109 Ca 0.04 1.87 0.02 0.00 1.18 0.00 0.00 52.55 55.65 1j4e s ASP 109 Cb 0.05 -2.56 0.45 0.00 -0.34 0.00 0.00 42.92 40.52 1j4e s ASP 109 CO 0.22 -0.61 1.67 0.29 0.68 0.00 0.00 175.17 177.43 1j4e n LYS 110 N -0.75 3.08 0.00 2.11 5.02 0.57 -4.97 118.16 123.23 1j4e n LYS 110 Ca 0.08 -3.70 0.00 0.00 -2.02 0.00 0.00 58.31 52.67 1j4e n LYS 110 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1j4e n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j4e n GLY 111 N -0.80 -1.75 3.89 0.72 0.00 -1.26 -4.67 105.19 101.32 1j4e n GLY 111 Ca 0.54 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1j4e n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j4e s VAL 112 N -1.74 4.90 0.04 1.61 -7.23 -1.26 -1.75 120.40 114.97 1j4e s VAL 112 Ca 0.00 0.32 0.03 0.00 -1.81 0.00 0.00 61.98 60.52 1j4e s VAL 112 Cb 0.00 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 1j4e s VAL 112 CO 0.00 -0.48 -0.09 0.68 -0.31 0.00 0.00 175.10 174.90 1j4e s VAL 113 N -2.30 0.63 0.36 1.32 -7.23 0.62 -4.89 120.40 108.92 1j4e s VAL 113 Ca 0.48 -1.05 -0.27 0.00 -1.81 0.00 0.00 61.98 59.32 1j4e s VAL 113 Cb -0.10 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 36.08 1j4e s VAL 113 CO 0.32 -0.32 1.25 -2.16 -0.31 0.00 0.00 175.10 173.89 1j4e s PRO 114 N -1.49 4.20 -0.45 4.82 0.04 -1.26 -1.46 135.00 139.40 1j4e s PRO 114 Ca -0.08 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 1j4e s PRO 114 Cb -0.09 -2.90 0.07 0.00 0.04 0.00 0.00 34.50 31.62 1j4e s PRO 114 CO 0.01 -0.27 0.35 -1.17 0.04 0.00 0.00 177.00 175.96 1j4e s LEU 115 N -2.11 5.45 0.51 -3.56 2.96 -0.63 -4.83 118.68 116.47 1j4e s LEU 115 Ca 0.53 -1.32 -0.21 0.00 -0.22 0.00 0.00 54.13 52.91 1j4e s LEU 115 Cb -0.36 -2.14 -0.08 0.00 0.50 0.00 0.00 46.19 44.11 1j4e s LEU 115 CO 0.47 -0.60 0.98 0.00 -1.32 0.00 0.00 176.35 175.88 1j4e n ALA 116 N 5.13 0.20 -0.97 5.97 0.00 -1.26 -2.49 120.51 127.09 1j4e n ALA 116 Ca -0.12 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j4e n ALA 116 Cb 0.44 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1j4e n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j4e n GLY 117 N 1.23 0.82 3.70 0.00 0.00 -1.26 -5.01 105.19 104.67 1j4e n GLY 117 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1j4e n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j4e s THR 118 N -3.36 2.75 -1.39 2.61 -4.23 -1.04 -5.03 115.64 105.95 1j4e s THR 118 Ca 0.00 -1.79 -0.13 0.00 -1.18 0.00 0.00 61.69 58.59 1j4e s THR 118 Cb 0.00 -2.92 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1j4e s THR 118 CO 0.00 -0.15 2.05 -3.20 -0.54 0.00 0.00 174.62 172.78 1j4e n ASN 119 N -1.10 4.34 -1.31 3.99 5.15 -1.26 -4.37 115.26 120.70 1j4e n ASN 119 Ca -0.03 -2.92 -0.12 0.00 -0.60 0.00 0.00 54.58 50.91 1j4e n ASN 119 Cb 0.62 -1.63 -0.01 0.00 -0.53 0.00 0.00 39.78 38.23 1j4e n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j4e n GLY 120 N 3.98 0.04 3.95 8.20 0.00 -1.26 -5.02 105.19 115.07 1j4e n GLY 120 Ca 0.48 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1j4e n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j4e s GLU 121 N -4.41 3.05 0.21 1.61 2.02 -1.26 -4.99 118.70 114.93 1j4e s GLU 121 Ca 0.00 -0.41 -0.00 0.00 0.02 0.00 0.00 54.97 54.57 1j4e s GLU 121 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1j4e s GLU 121 CO 0.00 -0.33 0.11 0.95 0.02 0.00 0.00 175.26 176.02 1j4e s THR 122 N -2.62 0.16 0.35 3.63 -4.23 -1.26 -1.60 115.64 110.07 1j4e s THR 122 Ca 0.49 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.06 1j4e s THR 122 Cb -0.10 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1j4e s THR 122 CO 0.39 -0.04 0.21 0.28 -0.54 0.00 0.00 174.62 174.92 1j4e s THR 123 N -4.04 0.23 0.08 3.99 -1.32 -0.53 -4.76 115.64 109.29 1j4e s THR 123 Ca 0.37 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.91 1j4e s THR 123 Cb 0.07 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.59 1j4e s THR 123 CO 0.12 0.00 -0.14 0.28 -2.21 0.00 0.00 174.62 172.66 1j4e s THR 124 N -3.42 1.15 0.43 5.08 -1.32 -1.26 -0.28 115.64 116.02 1j4e s THR 124 Ca 0.34 -1.37 0.07 0.00 -1.21 0.00 0.00 61.69 59.53 1j4e s THR 124 Cb 0.03 -1.14 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 1j4e s THR 124 CO 0.21 -0.25 0.35 0.00 -2.21 0.00 0.00 174.62 172.73 1j4e s GLN 125 N -1.87 2.46 0.00 7.08 -2.07 -0.72 -4.91 119.66 119.64 1j4e s GLN 125 Ca -0.00 -1.62 0.00 0.00 -1.82 0.00 0.00 55.36 51.92 1j4e s GLN 125 Cb -0.09 -2.30 0.00 0.00 -1.09 0.00 0.00 33.01 29.53 1j4e s GLN 125 CO 0.02 -0.22 0.00 0.41 -1.32 0.00 0.00 175.29 174.18 1j4e n GLY 126 N -1.52 -0.61 0.13 2.60 0.00 -1.26 -0.32 105.19 104.21 1j4e n GLY 126 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1j4e n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j4e h LEU 127 N 0.00 0.00 -9.41 0.99 3.38 -1.90 -3.40 115.31 104.96 1j4e h LEU 127 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1j4e h LEU 127 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 1j4e h LEU 127 CO 0.00 0.63 1.07 0.47 0.09 0.00 0.00 178.44 180.70 1j4e n ASP 128 N -3.68 3.70 -1.60 -0.43 8.00 -1.26 -1.47 116.55 119.81 1j4e n ASP 128 Ca -0.01 0.99 -0.20 0.00 0.71 0.00 0.00 54.79 56.28 1j4e n ASP 128 Cb 0.65 -1.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.19 1j4e n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j4e n GLY 129 N 4.18 1.93 0.31 0.44 0.00 -1.26 -4.85 105.19 105.93 1j4e n GLY 129 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 1j4e n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j4e h LEU 130 N 0.00 0.67 0.19 0.99 5.85 -1.48 -2.29 115.31 119.23 1j4e h LEU 130 Ca -0.42 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1j4e h LEU 130 Cb 1.34 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1j4e h LEU 130 CO 0.61 0.60 -0.09 -1.28 -0.34 0.00 0.00 178.44 177.95 1j4e h SER 131 N 0.73 -0.22 0.20 1.25 0.87 -1.89 0.78 113.55 115.27 1j4e h SER 131 Ca 0.18 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1j4e h SER 131 Cb 0.14 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1j4e h SER 131 CO -0.02 -0.09 -0.17 1.05 -0.53 0.00 0.00 176.83 177.07 1j4e h GLU 132 N -0.32 0.00 -0.31 2.24 9.09 -1.94 -1.27 114.58 122.06 1j4e h GLU 132 Ca -0.03 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.29 1j4e h GLU 132 Cb 0.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 1j4e h GLU 132 CO 0.04 0.17 -0.18 0.00 0.05 0.00 0.00 179.01 179.09 1j4e h ARG 133 N 0.00 0.67 -0.49 1.06 3.08 -0.81 -2.24 114.38 115.65 1j4e h ARG 133 Ca -0.00 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.65 1j4e h ARG 133 Cb 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1j4e h ARG 133 CO 0.02 0.90 -0.05 0.00 -1.07 0.00 0.00 179.97 179.77 1j4e h ALA 135 N 0.91 1.28 -0.22 0.00 0.00 -1.18 0.27 119.26 120.33 1j4e h ALA 135 Ca 0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1j4e h ALA 135 Cb 0.59 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1j4e h ALA 135 CO 0.04 0.36 -0.28 0.37 0.00 0.00 0.00 179.25 179.73 1j4e h GLN 136 N 1.07 0.57 -0.33 0.00 5.75 -1.11 -2.58 115.11 118.49 1j4e h GLN 136 Ca 0.40 -0.33 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 1j4e h GLN 136 Cb 0.17 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1j4e h GLN 136 CO -0.17 0.92 0.02 1.88 -2.65 0.00 0.00 178.83 178.83 1j4e h TYR 137 N 0.26 0.51 0.15 3.99 0.05 -0.37 -1.31 116.97 120.24 1j4e h TYR 137 Ca 0.03 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1j4e h TYR 137 Cb 0.85 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1j4e h TYR 137 CO 0.08 0.50 -0.07 -0.22 -1.05 0.00 0.00 178.16 177.40 1j4e h LYS 138 N 0.48 -0.19 -0.62 4.88 1.63 -0.40 -1.26 116.57 121.10 1j4e h LYS 138 Ca 0.11 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.99 1j4e h LYS 138 Cb 0.29 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 1j4e h LYS 138 CO 0.01 -0.04 0.41 0.87 -3.45 0.00 0.00 179.45 177.24 1j4e h LYS 139 N -0.30 0.53 -0.80 1.90 1.57 -1.03 -2.25 116.57 116.19 1j4e h LYS 139 Ca -0.02 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1j4e h LYS 139 Cb 0.24 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1j4e h LYS 139 CO 0.03 0.35 0.03 -0.25 -0.57 0.00 0.00 179.45 179.04 1j4e n ASP 140 N -4.48 3.47 0.00 0.86 8.00 -0.54 -4.92 116.55 118.95 1j4e n ASP 140 Ca 0.09 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 53.08 1j4e n ASP 140 Cb 0.28 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1j4e n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j4e n GLY 141 N 0.27 2.98 3.77 0.44 0.00 -0.84 -4.92 105.19 106.88 1j4e n GLY 141 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1j4e n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4e s ALA 142 N -2.67 3.24 0.00 4.61 0.00 -0.51 -4.38 121.76 122.05 1j4e s ALA 142 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1j4e s ALA 142 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1j4e s ALA 142 CO 0.00 -0.06 0.04 -0.25 0.00 0.00 0.00 175.76 175.49 1j4e n ASP 143 N 0.62 0.09 -3.82 0.00 8.00 -0.05 -4.17 116.55 117.22 1j4e n ASP 143 Ca 0.02 -0.45 -0.10 0.00 0.71 0.00 0.00 54.79 54.97 1j4e n ASP 143 Cb 0.48 0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 42.17 1j4e n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1j4e s PHE 144 N -0.67 0.04 0.38 1.24 -0.12 -1.17 -1.19 117.98 116.49 1j4e s PHE 144 Ca 0.00 -0.31 0.04 0.00 -0.05 0.00 0.00 56.93 56.61 1j4e s PHE 144 Cb 0.00 0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 1j4e s PHE 144 CO 0.00 -0.49 0.09 0.00 -0.05 0.00 0.00 175.22 174.77 1j4e s ALA 145 N -3.01 2.77 -0.07 1.99 0.00 0.33 -1.19 121.76 122.58 1j4e s ALA 145 Ca -0.02 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 1j4e s ALA 145 Cb 0.01 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.82 1j4e s ALA 145 CO -0.06 -0.30 0.16 0.21 0.00 0.00 0.00 175.76 175.77 1j4e s LYS 146 N -3.80 0.15 -0.07 0.00 2.36 -0.94 -1.38 119.74 116.05 1j4e s LYS 146 Ca 0.28 0.31 -0.02 0.00 -2.55 0.00 0.00 55.97 54.00 1j4e s LYS 146 Cb 0.05 -0.04 0.03 0.00 -1.05 0.00 0.00 37.83 36.82 1j4e s LYS 146 CO 0.14 -0.09 0.02 -0.46 1.55 0.00 0.00 175.35 176.51 1j4e s TRP 147 N 0.65 0.51 -0.19 4.03 -0.11 -1.22 -2.23 118.94 120.37 1j4e s TRP 147 Ca -0.05 -0.10 -0.09 0.00 1.22 0.00 0.00 56.10 57.08 1j4e s TRP 147 Cb -0.06 -0.73 -0.05 0.00 -1.50 0.00 0.00 33.47 31.13 1j4e s TRP 147 CO -0.03 -0.32 0.12 0.50 -4.62 0.00 0.00 176.95 172.60 1j4e s ARG 148 N 2.02 4.11 0.03 5.86 3.52 -1.26 -3.06 118.95 130.17 1j4e s ARG 148 Ca 0.05 -0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.47 1j4e s ARG 148 Cb -0.13 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 1j4e s ARG 148 CO -0.05 0.33 -0.12 0.00 -0.81 0.00 0.00 175.30 174.65 1j4e s VAL 150 N -0.98 1.53 0.07 0.00 1.01 -1.26 -2.13 120.40 118.63 1j4e s VAL 150 Ca 0.16 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1j4e s VAL 150 Cb -0.11 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1j4e s VAL 150 CO 0.07 0.44 -0.21 -0.76 0.00 0.00 0.00 175.10 174.64 1j4e s LEU 151 N 0.66 2.22 -0.04 3.92 2.01 -0.52 -4.43 118.68 122.51 1j4e s LEU 151 Ca -0.14 -0.60 0.04 0.00 0.01 0.00 0.00 54.13 53.45 1j4e s LEU 151 Cb -0.16 -0.97 -0.00 0.00 0.01 0.00 0.00 46.19 45.06 1j4e s LEU 151 CO 0.04 0.13 -0.17 -1.59 1.01 0.00 0.00 176.35 175.76 1j4e s LYS 152 N -1.48 1.81 -0.06 1.70 -2.85 -1.26 -0.94 119.74 116.65 1j4e s LYS 152 Ca 0.08 -0.62 -0.27 0.00 -1.00 0.00 0.00 55.97 54.15 1j4e s LYS 152 Cb -0.09 -1.57 -0.03 0.00 -2.06 0.00 0.00 37.83 34.08 1j4e s LYS 152 CO 0.03 0.25 0.87 0.42 0.10 0.00 0.00 175.35 177.02 1j4e s ILE 153 N 0.02 4.91 0.00 3.79 1.01 -1.26 -3.21 121.20 126.47 1j4e s ILE 153 Ca -0.04 1.80 0.00 0.00 0.00 0.00 0.00 60.65 62.41 1j4e s ILE 153 Cb -0.12 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1j4e s ILE 153 CO 0.02 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1j4e n GLY 154 N 3.08 2.61 0.45 6.18 0.00 -0.71 -4.72 105.19 112.08 1j4e n GLY 154 Ca 0.04 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 1j4e n GLY 154 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1j4e h GLU 155 N 0.00 -0.60 -0.13 1.61 -0.00 -2.01 -3.22 114.58 110.22 1j4e h GLU 155 Ca 0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 59.36 59.35 1j4e h GLU 155 Cb 0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 28.75 28.86 1j4e h GLU 155 CO 0.00 -0.40 -0.19 0.72 -0.00 0.00 0.00 179.01 179.14 1j4e n HIS 156 N -5.46 0.41 -4.17 2.06 8.25 -1.26 -5.02 115.22 110.04 1j4e n HIS 156 Ca -0.06 -1.31 -0.17 0.00 -0.26 0.00 0.00 57.72 55.91 1j4e n HIS 156 Cb 0.39 -0.30 -0.12 0.00 1.12 0.00 0.00 29.99 31.08 1j4e n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1j4e s THR 157 N -3.09 0.92 0.24 1.59 -4.23 -1.22 -3.52 115.64 106.33 1j4e s THR 157 Ca 0.39 -1.15 -0.30 0.00 -1.18 0.00 0.00 61.69 59.45 1j4e s THR 157 Cb 0.35 -0.90 -0.09 0.00 1.34 0.00 0.00 72.50 73.20 1j4e s THR 157 CO -0.00 -0.22 1.18 -2.84 -0.54 0.00 0.00 174.62 172.20 1j4e s PRO 158 N -1.54 4.52 0.73 3.99 0.02 -1.20 -1.74 135.00 139.79 1j4e s PRO 158 Ca -0.04 1.91 -0.12 0.00 0.02 0.00 0.00 61.00 62.78 1j4e s PRO 158 Cb -0.09 -3.20 0.03 0.00 0.02 0.00 0.00 34.50 31.26 1j4e s PRO 158 CO 0.01 -0.00 1.11 -1.54 -0.33 0.00 0.00 177.00 176.25 1j4e s SER 159 N -0.31 5.22 0.19 2.53 1.04 -1.23 -4.85 113.70 116.30 1j4e s SER 159 Ca 0.49 1.11 -0.12 0.00 0.48 0.00 0.00 55.95 57.92 1j4e s SER 159 Cb -0.34 -1.87 0.18 0.00 0.10 0.00 0.00 66.02 64.10 1j4e s SER 159 CO 0.41 -1.48 1.78 0.00 0.98 0.00 0.00 173.24 174.93 1j4e h ALA 160 N -0.76 0.72 -0.17 5.32 0.00 -1.99 -1.26 119.26 121.12 1j4e h ALA 160 Ca -0.45 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1j4e h ALA 160 Cb 1.26 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1j4e h ALA 160 CO 0.63 -0.08 -0.07 1.25 0.00 0.00 0.00 179.25 180.98 1j4e h LEU 161 N 0.53 -0.25 -0.37 0.00 6.46 -1.99 0.98 115.31 120.67 1j4e h LEU 161 Ca 0.25 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.13 1j4e h LEU 161 Cb 0.18 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.21 1j4e h LEU 161 CO -0.19 -0.10 0.07 0.00 -0.62 0.00 0.00 178.44 177.60 1j4e h ALA 162 N 1.11 0.39 -0.33 1.25 0.00 -1.78 0.96 119.26 120.86 1j4e h ALA 162 Ca 0.09 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1j4e h ALA 162 Cb 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1j4e h ALA 162 CO -0.21 -0.33 0.13 0.82 0.00 0.00 0.00 179.25 179.66 1j4e h ILE 163 N 0.19 1.19 0.85 0.00 2.04 -0.81 -1.98 117.51 118.99 1j4e h ILE 163 Ca 0.18 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1j4e h ILE 163 Cb 0.20 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1j4e h ILE 163 CO -0.23 0.20 -0.41 -0.03 0.00 0.00 0.00 178.15 177.68 1j4e h MET 164 N 0.39 -1.10 -0.78 2.37 4.05 -0.27 -2.51 114.93 117.08 1j4e h MET 164 Ca 0.11 0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.62 1j4e h MET 164 Cb 0.19 0.25 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 1j4e h MET 164 CO -0.01 -0.73 0.51 1.49 0.23 0.00 0.00 176.91 178.41 1j4e h GLU 165 N -1.19 1.00 -0.03 0.39 4.57 -0.87 -1.20 114.58 117.26 1j4e h GLU 165 Ca -0.12 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 57.83 1j4e h GLU 165 Cb 0.88 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1j4e h GLU 165 CO 0.19 0.66 -0.74 -0.91 -1.18 0.00 0.00 179.01 177.04 1j4e h ASN 166 N 1.03 0.24 0.07 1.04 -0.26 -1.40 -1.56 115.58 114.75 1j4e h ASN 166 Ca 0.29 -0.17 -0.18 0.00 -0.56 0.00 0.00 56.30 55.69 1j4e h ASN 166 Cb -0.09 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.09 1j4e h ASN 166 CO -0.07 0.89 -0.64 0.00 -1.06 0.00 0.00 177.43 176.56 1j4e h ALA 167 N 1.10 0.61 -0.21 -0.83 0.00 -1.16 -2.33 119.26 116.44 1j4e h ALA 167 Ca -0.02 -0.55 -0.17 0.00 0.00 0.00 0.00 54.91 54.16 1j4e h ALA 167 Cb 1.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j4e h ALA 167 CO 0.11 0.71 -0.56 -0.97 0.00 0.00 0.00 179.25 178.55 1j4e h ASN 168 N 0.40 0.71 0.47 0.00 -1.24 -1.13 -2.56 115.58 112.23 1j4e h ASN 168 Ca -0.01 -0.38 -0.17 0.00 0.71 0.00 0.00 56.30 56.44 1j4e h ASN 168 Cb 1.20 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 40.03 1j4e h ASN 168 CO 0.12 1.12 -0.74 1.62 -1.29 0.00 0.00 177.43 178.26 1j4e h VAL 169 N 0.49 1.44 -0.29 2.57 3.04 -1.27 -2.12 116.25 120.11 1j4e h VAL 169 Ca 0.01 -2.30 -0.06 0.00 -1.01 0.00 0.00 66.70 63.34 1j4e h VAL 169 Cb 1.12 2.23 -0.02 0.00 -2.01 0.00 0.00 31.29 32.62 1j4e h VAL 169 CO 0.11 0.67 -0.06 -0.07 -1.01 0.00 0.00 177.57 177.21 1j4e h LEU 170 N 0.14 0.43 -0.17 3.16 3.38 -1.33 -1.59 115.31 119.33 1j4e h LEU 170 Ca -0.02 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1j4e h LEU 170 Cb 1.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1j4e h LEU 170 CO 0.11 0.55 -0.16 0.00 0.09 0.00 0.00 178.44 179.03 1j4e h ALA 171 N 1.51 0.24 -0.31 1.53 0.00 -1.13 -0.82 119.26 120.28 1j4e h ALA 171 Ca 0.09 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1j4e h ALA 171 Cb 0.39 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1j4e h ALA 171 CO 0.02 0.14 0.06 0.00 0.00 0.00 0.00 179.25 179.47 1j4e h ARG 172 N 0.05 0.17 -0.28 0.00 2.47 -1.12 0.71 114.38 116.37 1j4e h ARG 172 Ca 0.03 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 1j4e h ARG 172 Cb 0.69 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.92 1j4e h ARG 172 CO 0.04 0.11 -0.04 -0.92 0.56 0.00 0.00 179.97 179.72 1j4e h TYR 173 N 0.18 -0.10 -0.54 3.04 3.20 -1.19 -0.67 116.97 120.88 1j4e h TYR 173 Ca 0.14 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1j4e h TYR 173 Cb 0.15 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1j4e h TYR 173 CO -0.17 -0.09 0.30 0.00 -1.64 0.00 0.00 178.16 176.55 1j4e h ALA 174 N 1.27 0.69 0.16 1.82 0.00 -0.55 -1.77 119.26 120.88 1j4e h ALA 174 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j4e h ALA 174 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1j4e h ALA 174 CO -0.27 0.22 -0.18 1.03 0.00 0.00 0.00 179.25 180.05 1j4e h SER 175 N 0.73 -0.49 -0.66 0.00 0.87 -0.30 -1.64 113.55 112.06 1j4e h SER 175 Ca 0.19 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1j4e h SER 175 Cb 0.05 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1j4e h SER 175 CO -0.03 -0.27 0.44 0.40 -0.53 0.00 0.00 176.83 176.84 1j4e h ILE 176 N -0.38 1.12 0.81 2.23 2.04 -1.00 -2.61 117.51 119.72 1j4e h ILE 176 Ca 0.01 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1j4e h ILE 176 Cb 0.37 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1j4e h ILE 176 CO -0.06 0.15 -0.39 0.00 0.00 0.00 0.00 178.15 177.85 1j4e h GLN 178 N -1.24 0.00 0.00 0.00 4.20 -1.18 0.46 115.11 117.36 1j4e h GLN 178 Ca -0.11 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1j4e h GLN 178 Cb 0.83 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1j4e h GLN 178 CO 0.18 0.00 -0.30 1.96 -0.67 0.00 0.00 178.83 180.01 1j4e h GLN 179 N 0.00 0.00 -0.36 1.46 1.08 -1.27 -3.01 115.11 113.01 1j4e h GLN 179 Ca 0.06 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 1j4e h GLN 179 Cb 0.73 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.11 1j4e h GLN 179 CO -0.00 0.30 0.03 0.09 -0.95 0.00 0.00 178.83 178.29 1j4e n ASN 180 N -3.51 3.63 -1.56 1.46 3.02 0.16 -4.95 115.26 113.51 1j4e n ASN 180 Ca -0.00 -3.26 -0.14 0.00 -0.03 0.00 0.00 54.58 51.15 1j4e n ASN 180 Cb 0.45 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.01 1j4e n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4e n GLY 181 N -0.64 -0.19 3.30 7.41 0.00 -1.12 -4.77 105.19 109.18 1j4e n GLY 181 Ca 0.28 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1j4e n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4e s ILE 182 N -2.69 2.92 -0.11 -0.61 -1.09 -0.99 -4.85 121.20 113.78 1j4e s ILE 182 Ca 0.01 -0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 57.45 1j4e s ILE 182 Cb -0.00 -2.25 -0.03 0.00 -1.58 0.00 0.00 42.46 38.60 1j4e s ILE 182 CO 0.01 0.50 1.29 -0.69 -1.23 0.00 0.00 174.94 174.81 1j4e s VAL 183 N 0.85 4.17 -0.07 2.92 1.01 -0.33 -2.88 120.40 126.06 1j4e s VAL 183 Ca -0.04 1.46 -0.21 0.00 0.00 0.00 0.00 61.98 63.19 1j4e s VAL 183 Cb -0.15 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1j4e s VAL 183 CO 0.00 -0.08 0.61 -2.16 0.00 0.00 0.00 175.10 173.47 1j4e s PRO 184 N 3.07 4.39 -0.39 2.72 0.04 -1.25 -0.51 135.00 143.07 1j4e s PRO 184 Ca 0.57 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.17 1j4e s PRO 184 Cb -0.24 -3.43 0.01 0.00 0.04 0.00 0.00 34.50 30.88 1j4e s PRO 184 CO 0.19 0.14 0.36 0.42 0.04 0.00 0.00 177.00 178.15 1j4e s ILE 185 N 0.59 5.17 -0.29 0.56 1.01 -0.48 -2.39 121.20 125.37 1j4e s ILE 185 Ca 0.33 -0.28 -0.24 0.00 0.00 0.00 0.00 60.65 60.46 1j4e s ILE 185 Cb -0.17 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 1j4e s ILE 185 CO 0.15 -0.25 0.81 -0.69 0.00 0.00 0.00 174.94 174.97 1j4e s VAL 186 N 1.95 4.79 -0.42 2.92 1.01 -0.29 -3.43 120.40 126.93 1j4e s VAL 186 Ca 0.10 1.32 0.03 0.00 0.00 0.00 0.00 61.98 63.42 1j4e s VAL 186 Cb -0.17 -4.15 0.11 0.00 0.00 0.00 0.00 36.38 32.17 1j4e s VAL 186 CO 0.12 -0.21 0.16 -0.70 0.00 0.00 0.00 175.10 174.47 1j4e s GLU 187 N 2.96 1.76 -1.05 2.72 2.12 -1.17 -0.09 118.70 125.95 1j4e s GLU 187 Ca 0.34 -2.15 -0.04 0.00 0.36 0.00 0.00 54.97 53.48 1j4e s GLU 187 Cb -0.14 -3.32 0.30 0.00 0.26 0.00 0.00 34.13 31.23 1j4e s GLU 187 CO 0.11 -1.02 1.39 -0.35 -0.54 0.00 0.00 175.26 174.85 1j4e n PRO 188 N 3.88 4.24 -2.11 4.30 -0.04 -1.24 -1.27 135.00 142.75 1j4e n PRO 188 Ca 0.04 -4.56 -0.42 0.00 -0.04 0.00 0.00 63.50 58.52 1j4e n PRO 188 Cb 0.39 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.32 1j4e n PRO 188 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1j4e s GLU 189 N -2.65 4.29 -0.44 0.54 2.12 -0.91 -4.63 118.70 117.03 1j4e s GLU 189 Ca 0.32 2.14 -0.09 0.00 0.36 0.00 0.00 54.97 57.69 1j4e s GLU 189 Cb 0.04 -3.27 0.09 0.00 0.26 0.00 0.00 34.13 31.25 1j4e s GLU 189 CO 0.08 -0.50 0.29 0.42 -0.54 0.00 0.00 175.26 175.01 1j4e s ILE 190 N 1.30 4.24 0.27 -3.70 1.01 -1.26 -1.43 121.20 121.62 1j4e s ILE 190 Ca 0.66 -1.53 -0.27 0.00 0.00 0.00 0.00 60.65 59.51 1j4e s ILE 190 Cb -0.38 -3.66 -0.15 0.00 0.01 0.00 0.00 42.46 38.28 1j4e s ILE 190 CO 0.30 -0.60 0.73 0.18 0.00 0.00 0.00 174.94 175.54 1j4e n LEU 191 N 4.92 0.19 0.00 2.97 4.32 -0.12 -4.86 117.00 124.42 1j4e n LEU 191 Ca -0.09 1.12 0.14 0.00 -0.02 0.00 0.00 56.01 57.15 1j4e n LEU 191 Cb 0.42 -1.12 0.63 0.00 -1.62 0.00 0.00 43.42 41.74 1j4e n LEU 191 CO 0.41 -2.31 0.97 -0.81 -1.22 0.00 0.00 177.39 174.42 1j4e n PRO 192 N 0.83 0.05 -1.62 3.23 -0.04 -1.26 -4.41 135.00 131.79 1j4e n PRO 192 Ca 0.13 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.19 1j4e n PRO 192 Cb 0.30 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.28 1j4e n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1j4e n ASP 193 N -1.47 1.24 0.00 3.54 8.00 -1.26 -1.55 116.55 125.05 1j4e n ASP 193 Ca 0.08 1.00 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1j4e n ASP 193 Cb 0.33 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 1j4e n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j4e n GLY 194 N 1.18 0.12 0.09 0.44 0.00 -1.26 -4.53 105.19 101.24 1j4e n GLY 194 Ca 0.10 -2.30 0.08 0.00 0.00 0.00 0.00 46.02 43.90 1j4e n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j4e n ASP 195 N 0.00 2.36 -4.74 1.61 5.75 -1.26 -1.82 116.55 118.44 1j4e n ASP 195 Ca 0.00 -2.91 -0.33 0.00 -0.01 0.00 0.00 54.79 51.54 1j4e n ASP 195 Cb 0.00 -0.37 0.08 0.00 -1.03 0.00 0.00 41.12 39.81 1j4e n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1j4e s HIS 196 N -2.57 2.33 0.34 2.11 -3.43 -1.26 -4.29 115.29 108.52 1j4e s HIS 196 Ca 0.27 1.59 0.01 0.00 -0.80 0.00 0.00 55.06 56.14 1j4e s HIS 196 Cb 0.24 -3.26 0.07 0.00 -1.43 0.00 0.00 32.58 28.20 1j4e s HIS 196 CO 0.03 -2.10 0.46 -0.40 -2.00 0.00 0.00 174.74 170.73 1j4e n ASP 197 N -2.90 0.73 0.31 7.38 5.68 -1.26 -0.32 116.55 126.17 1j4e n ASP 197 Ca 0.11 -1.59 -0.18 0.00 -0.50 0.00 0.00 54.79 52.62 1j4e n ASP 197 Cb 0.52 -0.29 -0.10 0.00 -1.14 0.00 0.00 41.12 40.11 1j4e n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1j4e h LEU 198 N 0.00 -1.39 -0.78 -2.12 6.46 -1.93 -2.50 115.31 113.06 1j4e h LEU 198 Ca -0.15 0.11 0.16 0.00 -0.12 0.00 0.00 57.88 57.87 1j4e h LEU 198 Cb 0.59 0.45 -0.15 0.00 -0.73 0.00 0.00 40.66 40.83 1j4e h LEU 198 CO 0.18 -0.68 -0.19 0.11 -0.62 0.00 0.00 178.44 177.23 1j4e h LYS 199 N -1.04 0.00 -0.53 1.25 6.56 -1.95 0.47 116.57 121.33 1j4e h LYS 199 Ca -0.07 -0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.59 1j4e h LYS 199 Cb 0.89 -0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.50 1j4e h LYS 199 CO -0.05 0.00 0.23 -0.09 -2.06 0.00 0.00 179.45 177.48 1j4e h ARG 200 N 0.00 0.42 -0.45 3.15 9.65 -1.89 0.11 114.38 125.36 1j4e h ARG 200 Ca 0.37 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.18 1j4e h ARG 200 Cb 0.57 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1j4e h ARG 200 CO -0.80 0.28 0.11 0.00 2.80 0.00 0.00 179.97 182.36 1j4e h GLN 202 N 0.60 0.42 0.27 0.00 4.15 -0.33 0.44 115.11 120.67 1j4e h GLN 202 Ca 0.14 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1j4e h GLN 202 Cb 0.32 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1j4e h GLN 202 CO 0.00 0.41 -0.13 -0.92 -1.93 0.00 0.00 178.83 176.26 1j4e h TYR 203 N 0.42 -0.34 -0.81 3.99 3.20 -0.34 -2.00 116.97 121.09 1j4e h TYR 203 Ca 0.10 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1j4e h TYR 203 Cb 0.18 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1j4e h TYR 203 CO 0.01 0.01 0.44 0.28 -1.64 0.00 0.00 178.16 177.26 1j4e h VAL 204 N -0.78 1.24 -0.88 1.81 2.07 -1.07 -1.95 116.25 116.68 1j4e h VAL 204 Ca -0.04 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1j4e h VAL 204 Cb 0.51 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1j4e h VAL 204 CO 0.06 0.27 0.54 0.74 0.02 0.00 0.00 177.57 179.21 1j4e h THR 205 N 1.13 1.24 -0.40 2.57 2.02 -0.93 0.15 112.91 118.68 1j4e h THR 205 Ca 0.29 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 1j4e h THR 205 Cb 0.04 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 1j4e h THR 205 CO -0.04 0.25 0.14 -0.33 0.37 0.00 0.00 175.52 175.90 1j4e h GLU 206 N 1.21 0.62 -0.13 6.66 5.08 -0.85 0.19 114.58 127.36 1j4e h GLU 206 Ca 0.32 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1j4e h GLU 206 Cb -0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1j4e h GLU 206 CO -0.06 0.60 0.05 0.87 -1.00 0.00 0.00 179.01 179.47 1j4e h LYS 207 N 0.50 0.20 0.19 2.33 1.79 -0.92 -0.95 116.57 119.71 1j4e h LYS 207 Ca 0.13 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1j4e h LYS 207 Cb 0.24 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1j4e h LYS 207 CO -0.01 0.32 -0.09 0.28 -1.08 0.00 0.00 179.45 178.87 1j4e h VAL 208 N 0.05 0.82 -0.71 0.50 2.07 -0.91 -1.40 116.25 116.67 1j4e h VAL 208 Ca 0.04 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1j4e h VAL 208 Cb 0.19 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1j4e h VAL 208 CO -0.00 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 177.98 1j4e h LEU 209 N -0.25 0.70 -0.57 2.57 4.07 -0.91 0.35 115.31 121.26 1j4e h LEU 209 Ca -0.03 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.82 1j4e h LEU 209 Cb 0.20 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1j4e h LEU 209 CO 0.04 0.47 -0.08 0.00 -1.08 0.00 0.00 178.44 177.79 1j4e h ALA 210 N 1.60 0.78 -0.04 1.53 0.00 -0.80 -2.44 119.26 119.89 1j4e h ALA 210 Ca 0.29 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1j4e h ALA 210 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1j4e h ALA 210 CO -0.09 0.68 -0.36 0.00 0.00 0.00 0.00 179.25 179.48 1j4e h ALA 211 N 0.95 1.33 0.64 0.00 0.00 -0.14 -2.70 119.26 119.35 1j4e h ALA 211 Ca 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1j4e h ALA 211 Cb 0.65 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1j4e h ALA 211 CO 0.04 0.48 -0.31 0.28 0.00 0.00 0.00 179.25 179.75 1j4e h VAL 212 N 0.06 0.19 0.00 0.00 2.07 -0.53 -2.79 116.25 115.26 1j4e h VAL 212 Ca 0.01 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1j4e h VAL 212 Cb 0.67 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1j4e h VAL 212 CO 0.05 0.02 -0.09 1.88 0.02 0.00 0.00 177.57 179.45 1j4e h TYR 213 N -1.11 0.00 -0.24 1.57 0.05 -1.45 0.11 116.97 115.90 1j4e h TYR 213 Ca -0.09 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.51 1j4e h TYR 213 Cb 0.70 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.44 1j4e h TYR 213 CO 0.00 0.09 -0.58 -0.22 -1.05 0.00 0.00 178.16 176.40 1j4e h LYS 214 N 0.00 0.76 -0.00 4.88 1.63 -1.50 -1.81 116.57 120.53 1j4e h LYS 214 Ca -0.00 -0.50 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1j4e h LYS 214 Cb 0.35 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1j4e h LYS 214 CO 0.01 1.12 0.00 0.00 -3.45 0.00 0.00 179.45 177.14 1j4e h ALA 215 N 0.77 0.01 -0.71 5.00 0.00 -0.97 -0.12 119.26 123.24 1j4e h ALA 215 Ca 0.00 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.98 1j4e h ALA 215 Cb 1.17 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1j4e h ALA 215 CO 0.12 -0.39 0.49 -0.07 0.00 0.00 0.00 179.25 179.41 1j4e h LEU 216 N -0.20 0.19 -0.01 0.00 4.07 -0.95 -0.61 115.31 117.80 1j4e h LEU 216 Ca 0.00 0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.82 1j4e h LEU 216 Cb 0.21 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 41.94 1j4e h LEU 216 CO -0.00 0.09 -0.58 -1.28 -1.08 0.00 0.00 178.44 175.59 1j4e h SER 217 N 0.19 0.52 -0.07 -0.43 0.87 -0.69 0.11 113.55 114.06 1j4e h SER 217 Ca 0.35 -0.75 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 1j4e h SER 217 Cb 1.08 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1j4e h SER 217 CO -0.06 1.21 -0.01 0.44 -0.53 0.00 0.00 176.83 177.87 1j4e h ASP 218 N -0.11 0.21 -0.36 6.23 3.32 0.41 -1.43 116.42 124.69 1j4e h ASP 218 Ca -0.07 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1j4e h ASP 218 Cb 1.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1j4e h ASP 218 CO 0.11 0.26 0.00 1.41 -1.72 0.00 0.00 179.24 179.31 1j4e n HIS 219 N -4.39 0.88 -3.11 4.55 8.25 -0.45 -4.93 115.22 116.02 1j4e n HIS 219 Ca -0.01 -0.34 -0.21 0.00 -0.26 0.00 0.00 57.72 56.90 1j4e n HIS 219 Cb 0.18 -0.18 0.01 0.00 1.12 0.00 0.00 29.99 31.11 1j4e n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1j4e n HIS 220 N 0.50 -1.79 -2.93 4.41 8.25 -0.54 -4.86 115.22 118.27 1j4e n HIS 220 Ca 0.15 0.42 -0.38 0.00 -0.26 0.00 0.00 57.72 57.64 1j4e n HIS 220 Cb 0.58 -3.47 -0.06 0.00 1.12 0.00 0.00 29.99 28.16 1j4e n HIS 220 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1j4e s ILE 221 N -2.98 4.34 -0.69 1.59 -5.25 0.02 -4.86 121.20 113.37 1j4e s ILE 221 Ca 0.31 1.68 -0.26 0.00 -0.99 0.00 0.00 60.65 61.38 1j4e s ILE 221 Cb -0.15 -4.06 0.04 0.00 2.95 0.00 0.00 42.46 41.24 1j4e s ILE 221 CO 0.38 0.33 1.20 -0.47 -1.79 0.00 0.00 174.94 174.59 1j4e s TYR 222 N -1.38 2.43 0.38 1.37 5.04 -1.26 -4.79 117.35 119.14 1j4e s TYR 222 Ca 0.42 -0.02 0.07 0.00 -2.44 0.00 0.00 57.07 55.10 1j4e s TYR 222 Cb -0.21 -4.53 0.78 0.00 0.35 0.00 0.00 41.96 38.36 1j4e s TYR 222 CO 0.25 -1.88 1.98 -0.07 -1.34 0.00 0.00 175.55 174.49 1j4e h LEU 223 N 12.46 0.61 -2.12 6.97 4.07 -1.94 -1.82 115.31 133.53 1j4e h LEU 223 Ca -0.27 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1j4e h LEU 223 Cb 1.06 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1j4e h LEU 223 CO 1.24 0.40 0.00 -0.33 -1.08 0.00 0.00 178.44 178.67 1j4e h GLU 224 N 0.70 0.00 -0.83 1.13 3.07 -1.92 -1.98 114.58 114.75 1j4e h GLU 224 Ca 0.27 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.64 1j4e h GLU 224 Cb 0.20 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 27.84 1j4e h GLU 224 CO -0.08 0.00 0.42 0.41 -1.40 0.00 0.00 179.01 178.36 1j4e n GLY 225 N -0.50 5.17 3.25 -3.84 0.00 -0.68 -4.32 105.19 104.26 1j4e n GLY 225 Ca -0.01 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 1j4e n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j4e s THR 226 N -3.85 0.44 0.04 2.61 -4.23 -0.74 -3.90 115.64 106.01 1j4e s THR 226 Ca 0.56 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1j4e s THR 226 Cb 0.47 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 1j4e s THR 226 CO 0.04 -0.19 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.13 1j4e s LEU 227 N -3.22 2.35 -0.14 4.79 1.02 -1.01 -3.67 118.68 118.81 1j4e s LEU 227 Ca 0.32 -0.72 0.02 0.00 0.02 0.00 0.00 54.13 53.78 1j4e s LEU 227 Cb 0.07 0.05 0.01 0.00 0.02 0.00 0.00 46.19 46.34 1j4e s LEU 227 CO 0.09 -0.38 -0.20 -0.22 0.02 0.00 0.00 176.35 175.66 1j4e s LEU 228 N -2.10 2.01 -0.77 1.79 2.96 -0.72 -1.14 118.68 120.71 1j4e s LEU 228 Ca -0.05 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 1j4e s LEU 228 Cb -0.03 -1.36 0.19 0.00 0.50 0.00 0.00 46.19 45.49 1j4e s LEU 228 CO -0.04 0.05 0.63 -0.75 -1.32 0.00 0.00 176.35 174.93 1j4e s LYS 229 N 0.94 3.00 0.50 1.98 2.20 0.87 -0.61 119.74 128.62 1j4e s LYS 229 Ca -0.05 -2.90 0.08 0.00 -0.36 0.00 0.00 55.97 52.74 1j4e s LYS 229 Cb -0.15 -3.90 0.05 0.00 -1.51 0.00 0.00 37.83 32.32 1j4e s LYS 229 CO -0.04 -1.23 0.69 -1.25 -0.36 0.00 0.00 175.35 173.17 1j4e s PRO 230 N -0.68 2.55 0.36 4.03 0.04 -1.26 -3.64 135.00 136.40 1j4e s PRO 230 Ca 0.22 -1.35 -0.10 0.00 0.04 0.00 0.00 61.00 59.81 1j4e s PRO 230 Cb -0.13 -2.68 -0.07 0.00 0.04 0.00 0.00 34.50 31.67 1j4e s PRO 230 CO -0.08 -0.59 0.72 0.54 0.04 0.00 0.00 177.00 177.63 1j4e s ASN 231 N -4.50 6.55 0.64 6.66 4.22 -1.26 -1.97 114.94 125.29 1j4e s ASN 231 Ca 0.58 1.08 -0.11 0.00 -2.14 0.00 0.00 52.86 52.27 1j4e s ASN 231 Cb -0.08 -2.30 -0.03 0.00 1.28 0.00 0.00 41.25 40.12 1j4e s ASN 231 CO 0.36 -0.32 1.04 -0.04 -2.04 0.00 0.00 177.10 176.11 1j4e s MET 232 N -3.61 3.42 -0.38 3.55 -1.94 -1.26 -4.94 119.30 114.14 1j4e s MET 232 Ca 0.50 0.71 -0.25 0.00 -1.71 0.00 0.00 55.69 54.94 1j4e s MET 232 Cb -0.10 -2.06 0.01 0.00 2.01 0.00 0.00 34.83 34.69 1j4e s MET 232 CO 0.28 -0.69 0.87 0.08 -0.01 0.00 0.00 175.02 175.56 1j4e s VAL 233 N -3.21 4.63 0.08 -6.03 1.01 -1.26 -5.00 120.40 110.62 1j4e s VAL 233 Ca 0.56 1.03 -0.04 0.00 0.00 0.00 0.00 61.98 63.53 1j4e s VAL 233 Cb -0.11 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1j4e s VAL 233 CO 0.54 -0.53 0.08 0.42 0.00 0.00 0.00 175.10 175.60 1j4e s THR 234 N 3.37 0.17 0.80 3.92 -4.23 -1.26 -4.58 115.64 113.82 1j4e s THR 234 Ca 0.36 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1j4e s THR 234 Cb -0.12 -1.56 0.07 0.00 1.34 0.00 0.00 72.50 72.22 1j4e s THR 234 CO 0.19 -0.76 1.09 -2.16 -0.54 0.00 0.00 174.62 172.44 1j4e s PRO 235 N -3.92 2.08 0.66 3.99 0.04 -1.26 -4.67 135.00 131.90 1j4e s PRO 235 Ca 0.10 1.03 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 1j4e s PRO 235 Cb 0.07 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 1j4e s PRO 235 CO -0.08 -1.73 1.24 0.20 0.04 0.00 0.00 177.00 176.68 1j4e s GLY 236 N -3.48 2.68 0.46 0.56 0.00 0.56 -4.87 107.32 103.23 1j4e s GLY 236 Ca 0.61 1.06 0.23 0.00 0.00 0.00 0.00 44.72 46.62 1j4e s GLY 236 CO 0.56 1.47 1.87 0.45 0.00 0.00 0.00 173.10 177.45 1j4e h HIS 237 N 0.40 0.33 -0.57 1.90 3.86 -1.21 0.87 115.15 120.73 1j4e h HIS 237 Ca -0.50 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1j4e h HIS 237 Cb 1.31 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1j4e h HIS 237 CO 0.45 0.08 0.00 0.00 0.86 0.00 0.00 177.93 179.32 1j4e n ALA 238 N -2.59 3.30 -1.84 2.45 0.00 -0.75 -4.99 120.51 116.09 1j4e n ALA 238 Ca 0.18 -1.78 -0.41 0.00 0.00 0.00 0.00 53.44 51.44 1j4e n ALA 238 Cb 0.78 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 1j4e n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j4e s ALA 239 N -2.23 3.54 -0.04 0.00 0.00 0.30 -4.63 121.76 118.70 1j4e s ALA 239 Ca 0.50 1.26 -0.24 0.00 0.00 0.00 0.00 51.96 53.48 1j4e s ALA 239 Cb 0.35 -3.50 -0.18 0.00 0.00 0.00 0.00 23.12 19.78 1j4e s ALA 239 CO 0.20 -0.66 1.06 1.15 0.00 0.00 0.00 175.76 177.51 1j4e h THR 240 N 3.29 1.12 -3.88 0.00 2.02 -1.89 -3.46 112.91 110.11 1j4e h THR 240 Ca -0.47 -1.17 -0.54 0.00 0.77 0.00 0.00 66.41 65.00 1j4e h THR 240 Cb 1.22 1.83 0.20 0.00 -1.74 0.00 0.00 68.15 69.65 1j4e h THR 240 CO 0.71 0.27 -0.02 1.67 0.37 0.00 0.00 175.52 178.52 1j4e n GLN 241 N -4.89 -0.06 -4.71 6.66 7.27 -1.26 -5.03 117.38 115.36 1j4e n GLN 241 Ca -0.08 0.05 -0.29 0.00 0.07 0.00 0.00 57.00 56.74 1j4e n GLN 241 Cb 0.28 -2.20 -0.14 0.00 2.41 0.00 0.00 30.24 30.59 1j4e n GLN 241 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1j4e s LYS 242 N -3.92 1.61 0.06 3.69 3.01 -1.26 -5.06 119.74 117.88 1j4e s LYS 242 Ca 0.67 -1.17 0.03 0.00 -1.01 0.00 0.00 55.97 54.49 1j4e s LYS 242 Cb -0.27 -1.88 -0.03 0.00 -1.01 0.00 0.00 37.83 34.64 1j4e s LYS 242 CO 0.57 0.47 -0.09 0.71 0.51 0.00 0.00 175.35 177.53 1j4e s TYR 243 N -0.89 0.83 0.62 3.18 1.51 -1.26 -5.14 117.35 116.20 1j4e s TYR 243 Ca 0.12 -0.60 -0.08 0.00 -1.01 0.00 0.00 57.07 55.50 1j4e s TYR 243 Cb -0.10 -0.48 0.01 0.00 -0.11 0.00 0.00 41.96 41.27 1j4e s TYR 243 CO 0.03 -0.07 0.96 -1.54 -1.11 0.00 0.00 175.55 173.83 1j4e s SER 244 N -2.00 5.62 0.28 2.29 1.04 -1.26 -4.94 113.70 114.74 1j4e s SER 244 Ca -0.03 0.89 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 1j4e s SER 244 Cb -0.06 -1.85 0.41 0.00 0.10 0.00 0.00 66.02 64.62 1j4e s SER 244 CO -0.00 -1.11 1.88 0.45 0.98 0.00 0.00 173.24 175.44 1j4e h HIS 245 N -0.30 0.94 -0.77 5.02 3.86 -1.99 -2.03 115.15 119.88 1j4e h HIS 245 Ca -0.45 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1j4e h HIS 245 Cb 1.25 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 29.39 1j4e h HIS 245 CO 0.50 0.70 0.50 0.93 0.86 0.00 0.00 177.93 181.42 1j4e h GLU 246 N 0.94 1.02 -0.22 2.45 3.07 -1.94 0.49 114.58 120.39 1j4e h GLU 246 Ca 0.23 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1j4e h GLU 246 Cb 0.13 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1j4e h GLU 246 CO -0.03 0.69 0.08 0.93 -1.40 0.00 0.00 179.01 179.28 1j4e h GLU 247 N 1.04 0.33 0.00 2.33 5.08 -1.76 0.82 114.58 122.42 1j4e h GLU 247 Ca 0.28 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1j4e h GLU 247 Cb -0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1j4e h GLU 247 CO -0.06 0.40 -0.26 -0.84 -1.00 0.00 0.00 179.01 177.26 1j4e h ILE 248 N 0.19 0.61 -0.13 3.13 -0.00 -1.21 0.18 117.51 120.29 1j4e h ILE 248 Ca 0.07 -1.23 -0.19 0.00 -0.00 0.00 0.00 64.86 63.51 1j4e h ILE 248 Cb 0.20 1.82 0.00 0.00 -0.00 0.00 0.00 36.82 38.84 1j4e h ILE 248 CO -0.00 0.25 -0.71 0.00 -0.00 0.00 0.00 178.15 177.69 1j4e h ALA 249 N 1.74 0.52 -0.15 0.16 0.00 -0.51 -1.03 119.26 119.99 1j4e h ALA 249 Ca -0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 1j4e h ALA 249 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1j4e h ALA 249 CO 0.03 0.72 -0.28 1.98 0.00 0.00 0.00 179.25 181.71 1j4e h MET 250 N 0.41 0.45 -0.46 0.00 1.85 -0.35 -1.32 114.93 115.51 1j4e h MET 250 Ca -0.03 -0.28 -0.05 0.00 -0.61 0.00 0.00 59.70 58.73 1j4e h MET 250 Cb 1.29 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.34 1j4e h MET 250 CO 0.13 0.89 0.08 0.00 -0.40 0.00 0.00 176.91 177.61 1j4e h ALA 251 N 0.56 1.29 0.10 0.39 0.00 -0.98 -0.79 119.26 119.84 1j4e h ALA 251 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1j4e h ALA 251 Cb 0.87 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1j4e h ALA 251 CO 0.06 0.49 -0.05 1.15 0.00 0.00 0.00 179.25 180.91 1j4e h THR 252 N 0.68 1.13 -0.15 0.00 2.02 -1.11 -1.73 112.91 113.74 1j4e h THR 252 Ca 0.15 -1.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.18 1j4e h THR 252 Cb 0.30 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1j4e h THR 252 CO 0.00 0.25 -0.22 0.58 0.37 0.00 0.00 175.52 176.51 1j4e h VAL 253 N -0.65 1.23 0.09 3.16 2.07 -1.18 -2.28 116.25 118.69 1j4e h VAL 253 Ca -0.01 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1j4e h VAL 253 Cb 0.52 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1j4e h VAL 253 CO 0.02 0.32 -0.04 0.74 0.02 0.00 0.00 177.57 178.63 1j4e h THR 254 N 0.25 1.08 -0.93 2.57 2.02 -1.16 -0.29 112.91 116.45 1j4e h THR 254 Ca 0.04 -0.66 0.13 0.00 0.77 0.00 0.00 66.41 66.69 1j4e h THR 254 Cb 0.53 1.51 -0.07 0.00 -1.74 0.00 0.00 68.15 68.37 1j4e h THR 254 CO 0.04 0.16 0.59 0.00 0.37 0.00 0.00 175.52 176.68 1j4e h ALA 255 N 0.44 1.70 -0.13 6.16 0.00 -1.13 -1.69 119.26 124.60 1j4e h ALA 255 Ca -0.01 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1j4e h ALA 255 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1j4e h ALA 255 CO 0.02 0.07 -0.72 -0.07 0.00 0.00 0.00 179.25 178.54 1j4e h LEU 256 N 0.82 0.72 -2.47 0.00 3.38 -1.25 -3.19 115.31 113.32 1j4e h LEU 256 Ca 0.46 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j4e h LEU 256 Cb 0.60 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1j4e h LEU 256 CO -0.22 1.23 0.00 0.03 0.09 0.00 0.00 178.44 179.57 1j4e h ARG 257 N 0.43 0.00 -0.28 1.13 3.08 -0.09 -1.40 114.38 117.25 1j4e h ARG 257 Ca -0.03 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1j4e h ARG 257 Cb 1.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.33 1j4e h ARG 257 CO 0.14 0.00 -0.02 2.89 -1.07 0.00 0.00 179.97 181.91 1j4e n ARG 258 N -3.06 2.43 0.00 0.04 1.85 -1.11 -4.68 116.66 112.13 1j4e n ARG 258 Ca -0.02 -2.93 0.00 0.00 -1.00 0.00 0.00 57.85 53.90 1j4e n ARG 258 Cb 0.14 -1.81 0.00 0.00 -1.05 0.00 0.00 32.46 29.74 1j4e n ARG 258 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1j4e n THR 259 N -0.79 0.00 -3.07 8.89 -2.24 -1.06 -4.96 114.28 111.04 1j4e n THR 259 Ca 0.25 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.60 1j4e n THR 259 Cb 0.93 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 1j4e n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1j4e s VAL 260 N -1.00 4.75 0.36 2.28 1.01 -0.55 -4.77 120.40 122.48 1j4e s VAL 260 Ca 0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 1j4e s VAL 260 Cb 0.00 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 31.91 1j4e s VAL 260 CO 0.00 -0.86 1.18 -2.65 0.00 0.00 0.00 175.10 172.77 1j4e n PRO 261 N 6.50 1.80 0.14 2.72 -0.02 -1.26 -4.83 135.00 140.05 1j4e n PRO 261 Ca -0.04 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 1j4e n PRO 261 Cb 0.46 -2.20 0.47 0.00 -0.02 0.00 0.00 33.50 32.22 1j4e n PRO 261 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1j4e n PRO 262 N 0.41 0.11 0.26 0.52 -0.04 -1.26 -1.80 135.00 133.20 1j4e n PRO 262 Ca 0.07 0.60 0.15 0.00 -0.04 0.00 0.00 63.50 64.28 1j4e n PRO 262 Cb 0.37 -1.91 0.56 0.00 -0.04 0.00 0.00 33.50 32.47 1j4e n PRO 262 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j4e h ALA 263 N 1.88 1.00 -2.23 0.55 0.00 -1.91 -3.43 119.26 115.12 1j4e h ALA 263 Ca 0.00 -0.05 -0.55 0.00 0.00 0.00 0.00 54.91 54.31 1j4e h ALA 263 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j4e h ALA 263 CO 0.00 0.07 1.18 0.08 0.00 0.00 0.00 179.25 180.58 1j4e s VAL 264 N -3.59 3.37 0.41 0.00 1.01 -0.74 -3.44 120.40 117.41 1j4e s VAL 264 Ca 0.02 0.43 0.14 0.00 0.00 0.00 0.00 61.98 62.57 1j4e s VAL 264 Cb 0.09 -3.31 0.35 0.00 0.00 0.00 0.00 36.38 33.50 1j4e s VAL 264 CO 0.58 -0.08 1.91 0.74 0.00 0.00 0.00 175.10 178.26 1j4e h THR 265 N 5.84 0.81 -1.50 3.92 2.02 -1.67 -3.45 112.91 118.89 1j4e h THR 265 Ca -0.42 -0.17 0.25 0.00 0.77 0.00 0.00 66.41 66.85 1j4e h THR 265 Cb 1.20 0.28 -0.18 0.00 -1.74 0.00 0.00 68.15 67.71 1j4e h THR 265 CO 0.96 0.09 0.80 -0.83 0.37 0.00 0.00 175.52 176.91 1j4e s GLY 266 N -3.77 -0.30 -0.19 2.16 0.00 -1.26 -3.51 107.32 100.45 1j4e s GLY 266 Ca -0.08 1.53 -0.01 0.00 0.00 0.00 0.00 44.72 46.15 1j4e s GLY 266 CO 0.77 0.50 -0.12 0.14 0.00 0.00 0.00 173.10 174.40 1j4e s VAL 267 N -2.44 2.78 -0.53 1.40 1.01 0.41 -1.75 120.40 121.27 1j4e s VAL 267 Ca 0.10 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1j4e s VAL 267 Cb -0.01 -2.22 0.14 0.00 0.00 0.00 0.00 36.38 34.29 1j4e s VAL 267 CO -0.05 0.48 0.36 0.42 0.00 0.00 0.00 175.10 176.31 1j4e s THR 268 N 1.30 3.75 0.27 3.92 -4.23 0.22 -1.11 115.64 119.76 1j4e s THR 268 Ca 0.04 -2.41 -0.30 0.00 -1.18 0.00 0.00 61.69 57.84 1j4e s THR 268 Cb -0.14 -3.48 -0.11 0.00 1.34 0.00 0.00 72.50 70.11 1j4e s THR 268 CO -0.06 -0.80 1.58 -0.36 -0.54 0.00 0.00 174.62 174.43 1j4e s PHE 269 N 0.62 2.82 0.09 3.99 0.08 -0.50 -4.07 117.98 121.01 1j4e s PHE 269 Ca 0.12 0.78 -0.17 0.00 0.12 0.00 0.00 56.93 57.78 1j4e s PHE 269 Cb -0.22 -4.03 -0.07 0.00 -0.57 0.00 0.00 43.02 38.14 1j4e s PHE 269 CO -0.04 -3.50 0.54 -0.48 -0.10 0.00 0.00 175.22 171.65 1j4e s LEU 270 N -0.29 4.46 0.24 -0.37 0.05 -0.83 -1.77 118.68 120.17 1j4e s LEU 270 Ca 0.64 1.16 0.25 0.00 0.05 0.00 0.00 54.13 56.22 1j4e s LEU 270 Cb -0.47 -2.98 0.50 0.00 -2.05 0.00 0.00 46.19 41.19 1j4e s LEU 270 CO 0.45 0.22 1.55 0.77 -0.55 0.00 0.00 176.35 178.79 1j4e h SER 271 N 4.22 0.00 -4.76 1.48 4.64 -1.90 -3.39 113.55 113.85 1j4e h SER 271 Ca -0.50 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 60.72 1j4e h SER 271 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1j4e h SER 271 CO 0.64 0.03 -0.12 0.61 -0.87 0.00 0.00 176.83 177.12 1j4e n GLY 272 N 1.25 -0.11 0.60 -0.77 0.00 -1.26 -0.93 105.19 103.97 1j4e n GLY 272 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1j4e n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4e n GLY 273 N -0.52 3.25 3.74 -0.02 0.00 -1.26 -4.81 105.19 105.57 1j4e n GLY 273 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1j4e n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j4e s GLN 274 N -0.56 2.34 0.78 1.61 -0.21 -0.11 -5.01 119.66 118.51 1j4e s GLN 274 Ca 0.00 1.55 -0.12 0.00 0.02 0.00 0.00 55.36 56.81 1j4e s GLN 274 Cb 0.00 -1.88 0.06 0.00 1.00 0.00 0.00 33.01 32.19 1j4e s GLN 274 CO 0.00 -1.63 1.11 -1.54 -2.12 0.00 0.00 175.29 171.10 1j4e s SER 275 N -2.40 4.69 0.16 5.90 1.04 -1.26 -4.70 113.70 117.13 1j4e s SER 275 Ca 0.70 1.18 -0.16 0.00 0.48 0.00 0.00 55.95 58.14 1j4e s SER 275 Cb -0.24 -1.90 0.08 0.00 0.10 0.00 0.00 66.02 64.06 1j4e s SER 275 CO 0.45 -1.83 1.74 -0.33 0.98 0.00 0.00 173.24 174.25 1j4e h GLU 276 N -0.99 0.22 -0.56 4.02 5.08 -1.88 -0.45 114.58 120.03 1j4e h GLU 276 Ca -0.47 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 1j4e h GLU 276 Cb 1.27 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1j4e h GLU 276 CO 0.61 0.15 0.07 1.49 -1.00 0.00 0.00 179.01 180.33 1j4e h GLU 277 N 0.23 0.93 0.36 2.33 4.57 -1.92 -2.69 114.58 118.39 1j4e h GLU 277 Ca 0.17 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1j4e h GLU 277 Cb 0.18 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1j4e h GLU 277 CO -0.21 0.91 -0.17 1.49 -1.18 0.00 0.00 179.01 179.85 1j4e h GLU 278 N 0.82 -0.47 -0.66 1.92 4.81 -1.81 -0.65 114.58 118.55 1j4e h GLU 278 Ca 0.17 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.54 1j4e h GLU 278 Cb 0.44 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1j4e h GLU 278 CO 0.01 -0.31 0.44 0.00 -0.73 0.00 0.00 179.01 178.43 1j4e h ALA 279 N 0.16 2.04 -0.10 2.92 0.00 -1.10 -0.62 119.26 122.55 1j4e h ALA 279 Ca -0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1j4e h ALA 279 Cb 0.37 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1j4e h ALA 279 CO 0.08 -0.19 -0.45 0.77 0.00 0.00 0.00 179.25 179.46 1j4e h SER 280 N 0.43 0.57 -0.50 0.00 0.02 -1.10 -2.20 113.55 110.77 1j4e h SER 280 Ca 0.31 -0.64 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 1j4e h SER 280 Cb 0.64 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1j4e h SER 280 CO -0.09 1.11 0.16 0.40 -1.14 0.00 0.00 176.83 177.28 1j4e h ILE 281 N 0.07 1.23 -0.30 3.27 2.04 -0.46 -1.86 117.51 121.49 1j4e h ILE 281 Ca -0.03 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1j4e h ILE 281 Cb 1.09 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1j4e h ILE 281 CO 0.09 0.28 0.02 0.78 0.00 0.00 0.00 178.15 179.33 1j4e h ASN 282 N 0.68 0.50 -0.92 1.72 2.35 -1.20 0.10 115.58 118.81 1j4e h ASN 282 Ca 0.16 -0.29 0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1j4e h ASN 282 Cb 0.26 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 1j4e h ASN 282 CO -0.01 0.66 0.60 0.25 -1.65 0.00 0.00 177.43 177.29 1j4e h LEU 283 N 0.32 0.96 -0.48 1.61 6.46 -1.33 0.18 115.31 123.03 1j4e h LEU 283 Ca 0.09 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 1j4e h LEU 283 Cb 0.39 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1j4e h LEU 283 CO 0.01 0.63 0.02 -1.13 -0.62 0.00 0.00 178.44 177.35 1j4e h ASN 284 N 1.10 0.81 -0.67 1.25 -1.24 -0.96 -2.40 115.58 113.47 1j4e h ASN 284 Ca 0.39 -0.30 -0.07 0.00 0.71 0.00 0.00 56.30 57.03 1j4e h ASN 284 Cb 0.13 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 1j4e h ASN 284 CO -0.14 0.91 0.15 0.00 -1.29 0.00 0.00 177.43 177.06 1j4e h ALA 285 N 0.93 0.97 -0.75 1.57 0.00 0.29 -2.66 119.26 119.61 1j4e h ALA 285 Ca 0.14 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1j4e h ALA 285 Cb 0.48 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1j4e h ALA 285 CO 0.02 0.66 0.48 0.82 0.00 0.00 0.00 179.25 181.23 1j4e h ILE 286 N 1.03 1.13 0.00 0.00 2.04 -0.51 -0.57 117.51 120.63 1j4e h ILE 286 Ca 0.21 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1j4e h ILE 286 Cb 0.39 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1j4e h ILE 286 CO 0.01 0.17 0.00 0.59 0.00 0.00 0.00 178.15 178.92 1j4e n ASN 287 N -4.61 0.00 -0.55 1.72 3.02 -0.92 -2.46 115.26 111.46 1j4e n ASN 287 Ca 0.08 -0.18 0.07 0.00 -0.03 0.00 0.00 54.58 54.52 1j4e n ASN 287 Cb 0.07 -0.24 0.06 0.00 -0.61 0.00 0.00 39.78 39.05 1j4e n ASN 287 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j4e n LYS 288 N -1.24 0.91 -1.78 3.52 4.76 -0.34 -4.74 118.16 119.25 1j4e n LYS 288 Ca 0.13 -1.32 -0.42 0.00 -2.87 0.00 0.00 58.31 53.83 1j4e n LYS 288 Cb 0.18 -1.26 -0.03 0.00 -1.84 0.00 0.00 35.03 32.08 1j4e n LYS 288 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j4e s ALA 289 N -1.13 3.80 -0.11 7.82 0.00 -0.52 -4.84 121.76 126.78 1j4e s ALA 289 Ca 0.16 1.43 -0.02 0.00 0.00 0.00 0.00 51.96 53.53 1j4e s ALA 289 Cb 0.11 -3.72 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 1j4e s ALA 289 CO 0.17 -1.08 1.55 -0.35 0.00 0.00 0.00 175.76 176.05 1j4e n PRO 290 N 5.05 0.77 -3.87 0.00 -0.04 -1.26 -4.72 135.00 130.93 1j4e n PRO 290 Ca 0.16 -0.47 -0.10 0.00 -0.04 0.00 0.00 63.50 63.05 1j4e n PRO 290 Cb 0.38 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 31.97 1j4e n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1j4e s LEU 291 N 0.01 1.49 -0.11 1.53 1.43 -1.26 -5.12 118.68 116.65 1j4e s LEU 291 Ca 0.22 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 1j4e s LEU 291 Cb 0.10 0.85 -0.03 0.00 0.03 0.00 0.00 46.19 47.13 1j4e s LEU 291 CO -0.00 -0.53 1.30 -0.22 0.23 0.00 0.00 176.35 177.13 1j4e s LEU 292 N -2.03 4.24 -0.37 1.79 0.20 -1.26 -4.99 118.68 116.26 1j4e s LEU 292 Ca -0.06 1.83 -0.09 0.00 0.69 0.00 0.00 54.13 56.50 1j4e s LEU 292 Cb -0.02 -3.55 0.05 0.00 -0.43 0.00 0.00 46.19 42.24 1j4e s LEU 292 CO -0.03 -0.73 0.18 -0.54 -0.29 0.00 0.00 176.35 174.93 1j4e s LYS 293 N 3.11 2.67 0.00 1.98 3.01 -1.26 -4.97 119.74 124.28 1j4e s LYS 293 Ca 0.58 -1.22 0.31 0.00 -1.01 0.00 0.00 55.97 54.62 1j4e s LYS 293 Cb -0.25 -3.63 1.69 0.00 -1.01 0.00 0.00 37.83 34.63 1j4e s LYS 293 CO 0.19 -0.75 2.11 -0.35 0.51 0.00 0.00 175.35 177.06 1j4e n PRO 294 N 4.89 1.02 -4.22 -1.68 -0.04 -1.26 -4.87 135.00 128.85 1j4e n PRO 294 Ca -0.11 -0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.05 1j4e n PRO 294 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1j4e n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1j4e s TRP 295 N -2.09 1.10 0.34 0.54 0.51 -1.26 -4.93 118.94 113.15 1j4e s TRP 295 Ca 0.43 -0.85 -0.29 0.00 -2.12 0.00 0.00 56.10 53.27 1j4e s TRP 295 Cb 0.22 -0.60 -0.11 0.00 -0.81 0.00 0.00 33.47 32.17 1j4e s TRP 295 CO 0.38 -0.05 1.43 0.00 -0.51 0.00 0.00 176.95 178.20 1j4e s ALA 296 N -3.49 3.56 -0.37 0.98 0.00 -1.23 -4.84 121.76 116.38 1j4e s ALA 296 Ca 0.15 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.59 1j4e s ALA 296 Cb 0.04 -3.56 0.11 0.00 0.00 0.00 0.00 23.12 19.71 1j4e s ALA 296 CO -0.01 -0.88 0.10 -0.51 0.00 0.00 0.00 175.76 174.46 1j4e s LEU 297 N -1.75 4.32 0.00 0.00 1.02 -1.26 -0.44 118.68 120.57 1j4e s LEU 297 Ca 0.53 -2.27 0.00 0.00 0.02 0.00 0.00 54.13 52.41 1j4e s LEU 297 Cb -0.44 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.25 1j4e s LEU 297 CO 0.57 -0.35 0.00 1.07 0.02 0.00 0.00 176.35 177.66 1j4e n THR 298 N 4.09 0.00 -4.40 5.49 5.66 -0.26 -4.64 114.28 120.22 1j4e n THR 298 Ca 0.04 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.77 1j4e n THR 298 Cb 0.40 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.07 1j4e n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1j4e s PHE 299 N 0.04 2.37 -0.41 1.09 -0.71 -1.26 -1.41 117.98 117.68 1j4e s PHE 299 Ca 0.00 -0.33 0.07 0.00 -1.04 0.00 0.00 56.93 55.63 1j4e s PHE 299 Cb 0.00 -1.16 0.22 0.00 -1.21 0.00 0.00 43.02 40.87 1j4e s PHE 299 CO 0.00 0.51 0.53 0.45 -1.34 0.00 0.00 175.22 175.37 1j4e n SER 300 N 0.18 -0.59 -4.87 1.98 2.88 -0.73 0.41 113.62 112.88 1j4e n SER 300 Ca -0.12 -2.69 -0.35 0.00 -1.33 0.00 0.00 58.87 54.38 1j4e n SER 300 Cb 0.56 -0.18 -0.05 0.00 -0.75 0.00 0.00 64.21 63.78 1j4e n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1j4e s TYR 301 N -0.50 3.60 0.00 0.66 2.02 -0.92 -4.37 117.35 117.84 1j4e s TYR 301 Ca 0.34 0.76 0.00 0.00 -0.37 0.00 0.00 57.07 57.80 1j4e s TYR 301 Cb 0.13 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 1j4e s TYR 301 CO -0.15 0.57 0.00 0.41 -1.57 0.00 0.00 175.55 174.81 1j4e n GLY 302 N 1.13 -0.05 0.33 0.71 0.00 -1.26 -0.36 105.19 105.69 1j4e n GLY 302 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1j4e n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1j4e h ARG 303 N 0.00 0.84 0.00 1.61 -0.00 -1.96 -1.81 114.38 113.07 1j4e h ARG 303 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 1j4e h ARG 303 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 29.97 29.80 1j4e h ARG 303 CO 0.00 0.61 0.00 0.00 0.00 0.00 0.00 179.97 180.58 1j4e n ALA 304 N -2.44 1.42 -0.00 0.04 0.00 -1.26 -0.34 120.51 117.92 1j4e n ALA 304 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1j4e n ALA 304 Cb 0.09 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 1j4e n ALA 304 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1j4e n LEU 305 N -1.27 0.00 -0.00 0.00 7.94 -0.75 -4.60 117.00 118.32 1j4e n LEU 305 Ca 0.02 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.99 1j4e n LEU 305 Cb 0.04 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.91 1j4e n LEU 305 CO 0.04 0.00 -0.11 0.00 -1.11 0.00 0.00 177.39 176.20 1j4e n GLN 306 N -1.62 2.23 -0.01 1.96 6.02 -0.70 -4.55 117.38 120.70 1j4e n GLN 306 Ca -0.00 -0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 1j4e n GLN 306 Cb 0.12 -1.17 -0.02 0.00 1.02 0.00 0.00 30.24 30.19 1j4e n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j4e h ALA 307 N 1.84 -0.47 -0.61 -1.58 0.00 -0.94 0.95 119.26 118.44 1j4e h ALA 307 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j4e h ALA 307 Cb 0.36 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1j4e h ALA 307 CO 0.00 -0.52 0.34 0.77 0.00 0.00 0.00 179.25 179.84 1j4e h SER 308 N -0.11 0.76 -0.08 0.00 0.02 -1.87 -2.50 113.55 109.77 1j4e h SER 308 Ca 0.01 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1j4e h SER 308 Cb 0.14 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1j4e h SER 308 CO -0.11 0.63 -0.17 0.00 -1.14 0.00 0.00 176.83 176.04 1j4e h ALA 309 N 1.16 -0.14 -0.81 3.77 0.00 -1.73 0.61 119.26 122.11 1j4e h ALA 309 Ca 0.22 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1j4e h ALA 309 Cb 0.03 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1j4e h ALA 309 CO -0.04 -0.64 0.50 1.25 0.00 0.00 0.00 179.25 180.33 1j4e h LEU 310 N -0.24 0.80 -0.61 0.00 5.85 -0.72 0.31 115.31 120.70 1j4e h LEU 310 Ca 0.08 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1j4e h LEU 310 Cb 0.35 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1j4e h LEU 310 CO -0.22 0.52 -0.18 0.50 -0.34 0.00 0.00 178.44 178.73 1j4e h LYS 311 N 0.94 0.92 0.00 1.25 3.64 -0.92 -2.20 116.57 120.20 1j4e h LYS 311 Ca 0.35 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1j4e h LYS 311 Cb 0.12 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1j4e h LYS 311 CO -0.15 1.02 0.00 0.00 -2.27 0.00 0.00 179.45 178.04 1j4e n ALA 312 N -2.50 2.00 0.00 5.00 0.00 0.21 -3.40 120.51 121.82 1j4e n ALA 312 Ca 0.01 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1j4e n ALA 312 Cb 0.43 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 1j4e n ALA 312 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1j4e h TRP 313 N 0.00 0.42 0.00 0.00 7.01 -0.56 -3.39 115.95 119.43 1j4e h TRP 313 Ca 0.00 -0.31 0.00 0.00 2.11 0.00 0.00 58.89 60.69 1j4e h TRP 313 Cb 0.57 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 1j4e h TRP 313 CO 0.00 1.51 0.00 0.41 -2.79 0.00 0.00 178.44 177.57 1j4e n GLY 314 N 1.72 0.00 0.50 2.65 0.00 -0.86 -1.15 105.19 108.04 1j4e n GLY 314 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1j4e n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4e n GLY 315 N -0.20 0.53 3.64 -0.02 0.00 -1.26 -4.80 105.19 103.08 1j4e n GLY 315 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1j4e n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4e s LYS 316 N -0.83 4.16 0.55 1.61 -0.14 -0.30 -4.94 119.74 119.85 1j4e s LYS 316 Ca 0.00 0.80 0.27 0.00 -1.36 0.00 0.00 55.97 55.68 1j4e s LYS 316 Cb 0.00 -3.64 1.45 0.00 -1.68 0.00 0.00 37.83 33.96 1j4e s LYS 316 CO 0.00 -0.46 1.97 0.87 -0.76 0.00 0.00 175.35 176.96 1j4e h LYS 317 N 7.73 0.00 0.00 1.68 1.57 -1.97 0.16 116.57 125.74 1j4e h LYS 317 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1j4e h LYS 317 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1j4e h LYS 317 CO 0.83 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.86 1j4e n GLU 318 N -4.19 0.47 -0.03 3.15 0.00 -1.26 -2.42 120.64 116.35 1j4e n GLU 318 Ca 0.10 0.05 0.09 0.00 0.00 0.00 0.00 57.16 57.39 1j4e n GLU 318 Cb 0.66 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.69 1j4e n GLU 318 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1j4e n ASN 319 N -1.12 2.54 -0.41 -1.84 3.02 0.57 -4.69 115.26 113.33 1j4e n ASN 319 Ca 0.12 -1.75 -0.11 0.00 -0.03 0.00 0.00 54.58 52.82 1j4e n ASN 319 Cb 0.10 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.14 1j4e n ASN 319 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1j4e n LEU 320 N 0.97 -1.03 0.12 3.41 7.94 -1.02 -0.65 117.00 126.75 1j4e n LEU 320 Ca 0.11 1.74 -0.13 0.00 -1.11 0.00 0.00 56.01 56.62 1j4e n LEU 320 Cb 0.44 -0.23 -0.06 0.00 0.53 0.00 0.00 43.42 44.10 1j4e n LEU 320 CO 0.11 -1.42 0.65 0.11 -1.11 0.00 0.00 177.39 175.72 1j4e h LYS 321 N 0.00 -0.54 -1.00 1.96 6.56 -1.86 0.16 116.57 121.85 1j4e h LYS 321 Ca 0.16 0.04 0.07 0.00 -1.06 0.00 0.00 60.65 59.86 1j4e h LYS 321 Cb 0.41 0.12 -0.07 0.00 -0.57 0.00 0.00 32.23 32.12 1j4e h LYS 321 CO -0.92 -0.36 0.64 0.00 -2.06 0.00 0.00 179.45 176.75 1j4e h ALA 322 N 0.07 1.41 -0.20 3.86 0.00 -1.70 -1.22 119.26 121.48 1j4e h ALA 322 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1j4e h ALA 322 Cb 0.59 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1j4e h ALA 322 CO -0.19 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1j4e h ALA 323 N 1.47 0.27 -0.38 0.00 0.00 -0.32 -3.03 119.26 117.27 1j4e h ALA 323 Ca 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1j4e h ALA 323 Cb 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1j4e h ALA 323 CO -0.19 -0.02 0.20 1.96 0.00 0.00 0.00 179.25 181.20 1j4e h GLN 324 N 0.11 0.51 -0.53 0.00 4.20 -0.07 -2.24 115.11 117.09 1j4e h GLN 324 Ca 0.06 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1j4e h GLN 324 Cb 0.39 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1j4e h GLN 324 CO 0.01 0.38 0.13 1.49 -0.67 0.00 0.00 178.83 180.17 1j4e h GLU 325 N 0.52 0.80 -0.26 1.46 4.57 -1.13 -0.59 114.58 119.95 1j4e h GLU 325 Ca 0.13 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1j4e h GLU 325 Cb 0.02 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1j4e h GLU 325 CO -0.02 0.72 0.09 0.93 -1.18 0.00 0.00 179.01 179.55 1j4e h GLU 326 N 0.77 0.40 -0.06 1.92 4.39 -1.29 -0.58 114.58 120.12 1j4e h GLU 326 Ca 0.17 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1j4e h GLU 326 Cb 0.28 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1j4e h GLU 326 CO -0.00 0.46 0.03 -0.92 -1.16 0.00 0.00 179.01 177.42 1j4e h TYR 327 N 0.26 0.09 -0.07 4.33 3.20 -1.36 -1.71 116.97 121.70 1j4e h TYR 327 Ca 0.08 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1j4e h TYR 327 Cb 0.22 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 1j4e h TYR 327 CO 0.00 0.15 0.05 0.28 -1.64 0.00 0.00 178.16 177.00 1j4e h VAL 328 N 0.00 0.88 -0.10 1.81 2.07 -1.01 0.81 116.25 120.71 1j4e h VAL 328 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1j4e h VAL 328 Cb 0.09 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1j4e h VAL 328 CO -0.00 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 178.00 1j4e h LYS 329 N 0.00 0.24 -0.32 1.57 1.63 -0.46 -2.20 116.57 117.03 1j4e h LYS 329 Ca 0.03 -0.12 -0.15 0.00 -0.85 0.00 0.00 60.65 59.57 1j4e h LYS 329 Cb 0.13 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1j4e h LYS 329 CO -0.00 0.63 -0.38 0.00 -3.45 0.00 0.00 179.45 176.25 1j4e h ARG 330 N -0.16 0.82 -0.87 1.90 2.47 -0.51 -1.99 114.38 116.06 1j4e h ARG 330 Ca 0.02 -0.46 0.01 0.00 -1.26 0.00 0.00 59.98 58.29 1j4e h ARG 330 Cb 0.58 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.88 1j4e h ARG 330 CO 0.02 1.09 0.56 0.00 0.56 0.00 0.00 179.97 182.20 1j4e h ALA 331 N 0.72 1.10 -0.44 0.04 0.00 -0.92 0.12 119.26 119.89 1j4e h ALA 331 Ca 0.04 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1j4e h ALA 331 Cb 0.97 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1j4e h ALA 331 CO 0.09 0.52 -0.29 -0.07 0.00 0.00 0.00 179.25 179.50 1j4e h LEU 332 N 1.18 1.01 -0.19 0.00 3.38 -1.35 -0.89 115.31 118.46 1j4e h LEU 332 Ca 0.32 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1j4e h LEU 332 Cb -0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.34 1j4e h LEU 332 CO -0.07 1.22 0.11 0.00 0.09 0.00 0.00 178.44 179.80 1j4e h ALA 333 N 0.84 0.24 -0.01 1.53 0.00 -0.72 -2.34 119.26 118.80 1j4e h ALA 333 Ca 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1j4e h ALA 333 Cb 0.88 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1j4e h ALA 333 CO 0.08 -0.25 -0.43 -0.91 0.00 0.00 0.00 179.25 177.74 1j4e h ASN 334 N 0.23 0.02 -0.72 0.00 2.35 -0.71 -1.29 115.58 115.46 1j4e h ASN 334 Ca 0.07 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1j4e h ASN 334 Cb 0.02 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1j4e h ASN 334 CO -0.01 0.44 0.33 -1.28 -1.65 0.00 0.00 177.43 175.26 1j4e h SER 335 N 0.01 0.97 -0.05 5.81 0.87 -0.84 -0.91 113.55 119.41 1j4e h SER 335 Ca -0.00 -0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.27 1j4e h SER 335 Cb 0.76 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1j4e h SER 335 CO 0.06 0.83 -0.55 -0.07 -0.53 0.00 0.00 176.83 176.57 1j4e h LEU 336 N 1.05 0.71 -1.33 2.23 3.38 -0.89 -3.03 115.31 117.43 1j4e h LEU 336 Ca 0.25 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1j4e h LEU 336 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1j4e h LEU 336 CO -0.03 1.11 -0.15 0.00 0.09 0.00 0.00 178.44 179.46 1j4e h ALA 337 N 0.90 1.44 0.00 1.53 0.00 -0.60 -0.52 119.26 122.02 1j4e h ALA 337 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1j4e h ALA 337 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1j4e h ALA 337 CO 0.11 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1j4e n ALA 338 N -2.49 1.54 0.01 0.00 0.00 -0.41 -1.68 120.51 117.48 1j4e n ALA 338 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1j4e n ALA 338 Cb 0.29 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.56 1j4e n ALA 338 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1j4e n GLN 339 N -1.50 1.07 -1.92 0.00 6.02 -0.39 -4.66 117.38 116.00 1j4e n GLN 339 Ca 0.03 -1.04 -0.14 0.00 -0.01 0.00 0.00 57.00 55.84 1j4e n GLN 339 Cb 0.14 -1.01 -0.03 0.00 1.02 0.00 0.00 30.24 30.36 1j4e n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j4e n GLY 340 N -0.21 0.44 0.56 1.08 0.00 -0.67 -4.90 105.19 101.50 1j4e n GLY 340 Ca 0.01 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1j4e n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j4e n LYS 341 N -2.42 2.46 -2.68 1.61 5.02 -0.34 -4.92 118.16 116.89 1j4e n LYS 341 Ca -0.15 -2.57 -0.43 0.00 -2.02 0.00 0.00 58.31 53.14 1j4e n LYS 341 Cb 0.55 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 1j4e n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1j4e s TYR 342 N -2.47 3.43 -0.48 2.13 5.04 -1.22 -4.86 117.35 118.92 1j4e s TYR 342 Ca 0.34 1.53 0.04 0.00 -2.44 0.00 0.00 57.07 56.53 1j4e s TYR 342 Cb 0.27 -3.22 0.13 0.00 0.35 0.00 0.00 41.96 39.49 1j4e s TYR 342 CO 0.07 -0.34 0.23 0.95 -1.34 0.00 0.00 175.55 175.12 1j4e s THR 343 N 2.56 2.31 -0.94 4.34 -4.23 -1.26 -4.98 115.64 113.43 1j4e s THR 343 Ca 0.46 -3.05 0.00 0.00 -1.18 0.00 0.00 61.69 57.92 1j4e s THR 343 Cb -0.17 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1j4e s THR 343 CO 0.12 -0.79 0.24 -2.65 -0.54 0.00 0.00 174.62 170.99