#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhu h HIS 5 N 0.00 1.03 0.33 1.96 3.86 -2.03 -1.71 115.15 118.58 1jhu h HIS 5 Ca 0.00 -0.33 -0.01 0.00 -1.16 0.00 0.00 60.37 58.87 1jhu h HIS 5 Cb 0.00 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1jhu h HIS 5 CO 0.00 1.14 -0.25 0.00 0.86 0.00 0.00 177.93 179.68 1jhu h ALA 6 N 0.80 -0.57 -0.27 2.45 0.00 -2.05 0.22 119.26 119.84 1jhu h ALA 6 Ca 0.04 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1jhu h ALA 6 Cb 1.04 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 1jhu h ALA 6 CO 0.10 -0.84 -0.37 1.25 0.00 0.00 0.00 179.25 179.39 1jhu h LEU 7 N -0.58 -1.24 -1.55 0.00 5.85 -1.96 0.66 115.31 116.49 1jhu h LEU 7 Ca -0.02 0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1jhu h LEU 7 Cb 0.50 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1jhu h LEU 7 CO -0.01 -0.27 0.46 -0.07 -0.34 0.00 0.00 178.44 178.21 1jhu h LEU 8 N -0.26 0.44 -0.85 2.25 3.38 -1.12 -2.12 115.31 117.03 1jhu h LEU 8 Ca 0.05 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1jhu h LEU 8 Cb 0.39 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1jhu h LEU 8 CO -0.40 0.26 -0.13 -0.09 0.09 0.00 0.00 178.44 178.17 1jhu h ARG 9 N 0.49 0.71 -0.17 1.13 2.43 0.14 -3.22 114.38 115.88 1jhu h ARG 9 Ca 0.32 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1jhu h ARG 9 Cb 0.60 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1jhu h ARG 9 CO -0.10 0.81 0.00 -0.25 -1.51 0.00 0.00 179.97 178.92 1jhu n ASP 10 N -4.16 1.46 -4.70 -3.80 10.43 0.02 -4.91 116.55 110.90 1jhu n ASP 10 Ca 0.01 -1.73 -0.42 0.00 2.57 0.00 0.00 54.79 55.22 1jhu n ASP 10 Cb 0.37 -0.11 -0.03 0.00 1.84 0.00 0.00 41.12 43.19 1jhu n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1jhu s ILE 11 N -1.78 3.00 0.48 0.53 1.01 -1.20 -4.89 121.20 118.35 1jhu s ILE 11 Ca 0.29 0.56 -0.19 0.00 0.00 0.00 0.00 60.65 61.32 1jhu s ILE 11 Cb 0.16 -3.36 -0.09 0.00 0.01 0.00 0.00 42.46 39.17 1jhu s ILE 11 CO 0.23 0.02 0.98 -2.16 0.00 0.00 0.00 174.94 174.01 1jhu s PRO 12 N 2.06 3.99 0.54 2.79 0.04 -1.26 -5.03 135.00 138.14 1jhu s PRO 12 Ca 0.71 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1jhu s PRO 12 Cb -0.40 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 1jhu s PRO 12 CO 0.31 -0.24 0.94 0.00 0.04 0.00 0.00 177.00 178.06 1jhu s ALA 13 N -2.35 3.18 0.56 8.56 0.00 -1.26 -4.99 121.76 125.46 1jhu s ALA 13 Ca 0.62 -0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.27 1jhu s ALA 13 Cb -0.11 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 1jhu s ALA 13 CO 0.23 -0.44 1.13 -2.14 0.00 0.00 0.00 175.76 174.54 1jhu s PRO 14 N -4.68 3.27 -0.90 0.00 0.02 -1.26 -4.80 135.00 126.66 1jhu s PRO 14 Ca 0.54 1.58 -0.23 0.00 0.02 0.00 0.00 61.00 62.91 1jhu s PRO 14 Cb -0.11 -2.00 0.06 0.00 0.02 0.00 0.00 34.50 32.48 1jhu s PRO 14 CO 0.44 -0.91 1.29 0.34 -0.33 0.00 0.00 177.00 177.83 1jhu s ASP 15 N -1.89 6.41 0.43 2.53 3.68 0.89 -4.89 116.67 123.83 1jhu s ASP 15 Ca 0.72 -1.28 0.12 0.00 2.13 0.00 0.00 52.55 54.24 1jhu s ASP 15 Cb -0.23 -2.52 0.99 0.00 -1.45 0.00 0.00 42.92 39.70 1jhu s ASP 15 CO 0.29 -1.49 2.01 0.00 0.13 0.00 0.00 175.17 176.11 1jhu h ALA 16 N 9.64 1.93 -0.12 3.66 0.00 -1.92 -2.17 119.26 130.27 1jhu h ALA 16 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jhu h ALA 16 Cb 1.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jhu h ALA 16 CO 1.30 -0.03 0.02 1.49 0.00 0.00 0.00 179.25 182.04 1jhu h GLU 17 N 0.44 0.20 -0.86 0.00 4.22 -1.98 -1.42 114.58 115.18 1jhu h GLU 17 Ca 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.62 1jhu h GLU 17 Cb 0.36 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1jhu h GLU 17 CO -0.06 0.39 0.55 0.00 -2.18 0.00 0.00 179.01 177.71 1jhu h ALA 18 N 0.79 1.09 -0.43 2.92 0.00 -1.75 -2.36 119.26 119.52 1jhu h ALA 18 Ca 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1jhu h ALA 18 Cb 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1jhu h ALA 18 CO 0.00 0.53 0.02 0.52 0.00 0.00 0.00 179.25 180.32 1jhu h MET 19 N 1.18 0.68 -0.25 0.00 2.86 -1.23 -0.15 114.93 118.01 1jhu h MET 19 Ca 0.31 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1jhu h MET 19 Cb -0.10 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1jhu h MET 19 CO -0.06 0.69 -0.01 0.00 1.06 0.00 0.00 176.91 178.58 1jhu h ALA 20 N 1.38 0.34 -0.88 6.32 0.00 -0.93 -0.89 119.26 124.61 1jhu h ALA 20 Ca 0.14 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1jhu h ALA 20 Cb 0.37 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1jhu h ALA 20 CO 0.01 0.10 0.57 0.00 0.00 0.00 0.00 179.25 179.92 1jhu h ARG 21 N 0.23 1.06 0.20 0.00 3.08 -1.18 -1.70 114.38 116.06 1jhu h ARG 21 Ca 0.07 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1jhu h ARG 21 Cb 0.44 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1jhu h ARG 21 CO 0.02 0.70 -0.10 1.15 -1.07 0.00 0.00 179.97 180.67 1jhu h THR 22 N 1.09 0.81 -0.35 2.04 2.02 -0.72 -2.00 112.91 115.80 1jhu h THR 22 Ca 0.36 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.56 1jhu h THR 22 Cb 0.04 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1jhu h THR 22 CO -0.13 0.01 0.03 -0.61 0.37 0.00 0.00 175.52 175.19 1jhu h GLN 23 N -0.28 0.13 -0.87 6.66 5.75 -0.80 -0.51 115.11 125.19 1jhu h GLN 23 Ca -0.03 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1jhu h GLN 23 Cb 0.22 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.69 1jhu h GLN 23 CO 0.04 0.09 0.57 1.96 -2.65 0.00 0.00 178.83 178.84 1jhu h GLN 24 N 0.13 1.09 -0.38 1.69 7.50 -1.26 -0.27 115.11 123.62 1jhu h GLN 24 Ca 0.17 -0.07 -0.06 0.00 0.50 0.00 0.00 58.65 59.20 1jhu h GLN 24 Cb 0.22 -0.25 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 1jhu h GLN 24 CO -0.26 0.72 0.01 1.25 -1.50 0.00 0.00 178.83 179.05 1jhu h HIS 25 N 1.13 0.73 -0.96 2.96 -0.00 -0.53 -2.78 115.15 115.69 1jhu h HIS 25 Ca 0.33 -0.12 0.04 0.00 -0.00 0.00 0.00 60.37 60.62 1jhu h HIS 25 Cb -0.06 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.10 1jhu h HIS 25 CO -0.02 0.75 0.62 0.82 -0.00 0.00 0.00 177.93 180.11 1jhu h ILE 26 N 0.50 1.14 0.00 6.26 2.04 -0.83 -2.32 117.51 124.30 1jhu h ILE 26 Ca 0.11 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1jhu h ILE 26 Cb 0.45 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1jhu h ILE 26 CO 0.02 0.22 -0.16 0.44 0.00 0.00 0.00 178.15 178.67 1jhu h ASP 27 N 1.19 0.00 -0.03 1.72 3.45 -0.78 -2.56 116.42 119.42 1jhu h ASP 27 Ca 0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.85 1jhu h ASP 27 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1jhu h ASP 27 CO -0.14 0.16 0.00 0.61 -1.57 0.00 0.00 179.24 178.30 1jhu n GLY 28 N -0.97 -0.10 3.73 2.75 0.00 -0.88 -4.77 105.19 104.96 1jhu n GLY 28 Ca -0.02 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1jhu n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhu s LEU 29 N -1.95 2.56 -0.48 0.99 1.02 -0.97 -0.84 118.68 119.02 1jhu s LEU 29 Ca 0.38 1.65 -0.19 0.00 0.02 0.00 0.00 54.13 56.00 1jhu s LEU 29 Cb 0.21 -4.17 -0.18 0.00 0.02 0.00 0.00 46.19 42.07 1jhu s LEU 29 CO 0.33 -2.45 1.74 -0.11 0.02 0.00 0.00 176.35 175.88 1jhu n LEU 30 N -3.78 2.84 -3.62 1.79 7.94 0.08 -4.13 117.00 118.12 1jhu n LEU 30 Ca 0.08 -2.25 -0.04 0.00 -1.11 0.00 0.00 56.01 52.69 1jhu n LEU 30 Cb 0.54 -0.86 -0.01 0.00 0.53 0.00 0.00 43.42 43.62 1jhu n LEU 30 CO 0.54 -0.76 0.87 -1.59 -1.11 0.00 0.00 177.39 175.35 1jhu s LYS 31 N 5.26 0.68 0.21 1.96 -2.85 -1.26 -5.00 119.74 118.75 1jhu s LYS 31 Ca 0.49 -0.33 -0.30 0.00 -1.00 0.00 0.00 55.97 54.84 1jhu s LYS 31 Cb 0.12 0.27 -0.09 0.00 -2.06 0.00 0.00 37.83 36.07 1jhu s LYS 31 CO 0.14 -0.31 1.27 -2.14 0.10 0.00 0.00 175.35 174.41 1jhu s PRO 32 N -2.81 4.43 0.20 1.78 0.02 -1.26 -4.90 135.00 132.46 1jhu s PRO 32 Ca 0.10 2.01 -0.32 0.00 0.02 0.00 0.00 61.00 62.81 1jhu s PRO 32 Cb 0.00 -3.19 -0.14 0.00 0.02 0.00 0.00 34.50 31.19 1jhu s PRO 32 CO -0.04 -0.17 1.38 -2.30 -0.33 0.00 0.00 177.00 175.54 1jhu n PRO 33 N 2.32 1.81 -0.83 5.54 -0.02 -1.26 -1.13 135.00 141.43 1jhu n PRO 33 Ca 0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1jhu n PRO 33 Cb 0.43 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1jhu n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jhu n GLY 34 N 2.35 0.79 0.29 -1.23 0.00 -1.26 -4.89 105.19 101.24 1jhu n GLY 34 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.32 1jhu n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jhu h SER 35 N 0.00 0.00 -0.38 1.61 4.64 -1.50 -2.11 113.55 115.81 1jhu h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jhu h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jhu h SER 35 CO 0.00 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 1jhu n LEU 36 N -3.47 2.13 0.00 5.97 4.77 -1.26 -5.00 117.00 120.13 1jhu n LEU 36 Ca -0.02 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 1jhu n LEU 36 Cb 0.17 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1jhu n LEU 36 CO 0.26 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1jhu n GLY 37 N 1.15 2.50 0.24 -0.72 0.00 -0.80 -1.86 105.19 105.71 1jhu n GLY 37 Ca 0.14 0.32 0.17 0.00 0.00 0.00 0.00 46.02 46.64 1jhu n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jhu h ARG 38 N 0.00 0.00 -0.24 1.61 3.08 -1.94 -2.14 114.38 114.75 1jhu h ARG 38 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1jhu h ARG 38 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1jhu h ARG 38 CO 0.00 0.00 -0.46 1.25 -1.07 0.00 0.00 179.97 179.69 1jhu h LEU 39 N 0.00 0.67 -0.16 3.04 5.85 -1.80 0.47 115.31 123.37 1jhu h LEU 39 Ca 0.00 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 1jhu h LEU 39 Cb 0.26 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1jhu h LEU 39 CO 0.00 1.03 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.60 1jhu h GLU 40 N 0.49 0.43 -0.64 1.25 5.08 -1.46 -2.19 114.58 117.54 1jhu h GLU 40 Ca 0.03 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1jhu h GLU 40 Cb 0.99 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1jhu h GLU 40 CO 0.09 0.82 0.41 1.15 -1.00 0.00 0.00 179.01 180.48 1jhu h THR 41 N 0.07 1.17 -0.18 1.13 2.02 -1.46 -1.72 112.91 113.94 1jhu h THR 41 Ca 0.02 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1jhu h THR 41 Cb 0.76 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1jhu h THR 41 CO 0.05 0.17 0.11 0.25 0.37 0.00 0.00 175.52 176.47 1jhu h LEU 42 N 0.87 0.21 -0.59 2.58 5.85 -0.87 -1.40 115.31 121.96 1jhu h LEU 42 Ca 0.23 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.02 1jhu h LEU 42 Cb -0.07 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 1jhu h LEU 42 CO -0.05 0.17 0.20 0.00 -0.34 0.00 0.00 178.44 178.43 1jhu h ALA 43 N 1.04 0.75 -0.39 1.25 0.00 -1.02 0.41 119.26 121.31 1jhu h ALA 43 Ca 0.06 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1jhu h ALA 43 Cb -0.00 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1jhu h ALA 43 CO -0.01 -0.22 -0.17 0.28 0.00 0.00 0.00 179.25 179.13 1jhu h VAL 44 N 0.37 1.26 -0.17 0.00 2.07 -1.12 -1.33 116.25 117.34 1jhu h VAL 44 Ca 0.30 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1jhu h VAL 44 Cb 0.39 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1jhu h VAL 44 CO -0.32 0.42 0.11 -0.61 0.02 0.00 0.00 177.57 177.19 1jhu h GLN 45 N 0.66 0.22 -0.91 1.57 4.15 -0.24 -2.18 115.11 118.39 1jhu h GLN 45 Ca 0.10 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1jhu h GLN 45 Cb 0.66 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.25 1jhu h GLN 45 CO 0.05 0.16 0.52 -0.07 -1.93 0.00 0.00 178.83 177.55 1jhu h LEU 46 N 0.22 1.12 -2.18 -2.39 3.38 -0.73 -2.22 115.31 112.50 1jhu h LEU 46 Ca 0.06 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1jhu h LEU 46 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1jhu h LEU 46 CO -0.01 0.88 0.15 0.00 0.09 0.00 0.00 178.44 179.54 1jhu h ALA 47 N 1.28 1.91 -0.00 1.53 0.00 -0.64 -0.65 119.26 122.69 1jhu h ALA 47 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1jhu h ALA 47 Cb -0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jhu h ALA 47 CO -0.06 -0.23 -0.03 0.41 0.00 0.00 0.00 179.25 179.35 1jhu n GLY 48 N -1.46 -1.46 3.61 0.00 0.00 -0.84 -4.27 105.19 100.78 1jhu n GLY 48 Ca 0.01 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1jhu n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jhu s MET 49 N -2.95 3.82 0.42 1.61 1.00 -0.25 -0.08 119.30 122.87 1jhu s MET 49 Ca 0.16 0.69 0.17 0.00 0.00 0.00 0.00 55.69 56.71 1jhu s MET 49 Cb 0.19 -3.85 1.07 0.00 0.00 0.00 0.00 34.83 32.23 1jhu s MET 49 CO 0.53 -1.22 1.87 -1.35 0.00 0.00 0.00 175.02 174.86 1jhu h PRO 50 N 8.86 0.41 0.00 2.03 0.11 -1.86 0.82 132.00 142.37 1jhu h PRO 50 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1jhu h PRO 50 Cb 1.06 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1jhu h PRO 50 CO 1.09 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 179.56 1jhu n GLY 51 N -1.52 -0.85 0.76 -0.55 0.00 0.19 -2.73 105.19 100.50 1jhu n GLY 51 Ca 0.18 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1jhu n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jhu n LEU 52 N -1.17 2.46 -3.17 0.99 4.77 0.28 -4.97 117.00 116.19 1jhu n LEU 52 Ca 0.12 -0.83 -0.20 0.00 -0.03 0.00 0.00 56.01 55.08 1jhu n LEU 52 Cb 0.13 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1jhu n LEU 52 CO 0.14 0.42 0.20 0.59 -1.33 0.00 0.00 177.39 177.41 1jhu n ASN 53 N 0.83 -5.23 -0.98 -1.43 3.02 -1.11 -3.56 115.26 106.81 1jhu n ASN 53 Ca 0.14 -0.48 -0.13 0.00 -0.03 0.00 0.00 54.58 54.09 1jhu n ASN 53 Cb 0.52 -4.44 -0.05 0.00 -0.61 0.00 0.00 39.78 35.19 1jhu n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jhu n GLY 54 N -1.71 1.34 3.35 7.41 0.00 -1.26 -4.99 105.19 109.33 1jhu n GLY 54 Ca -0.03 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 1jhu n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jhu s THR 55 N -2.40 0.04 -0.13 2.61 -1.32 -1.23 -4.91 115.64 108.30 1jhu s THR 55 Ca 0.00 -0.37 -0.29 0.00 -1.21 0.00 0.00 61.69 59.82 1jhu s THR 55 Cb 0.00 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 70.05 1jhu s THR 55 CO 0.00 -0.20 1.39 -2.16 -2.21 0.00 0.00 174.62 171.44 1jhu s PRO 56 N -2.19 4.21 0.07 7.08 0.04 -1.26 -4.53 135.00 138.41 1jhu s PRO 56 Ca -0.07 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.66 1jhu s PRO 56 Cb -0.01 -3.84 0.02 0.00 0.04 0.00 0.00 34.50 30.71 1jhu s PRO 56 CO -0.00 -0.76 0.30 1.14 0.04 0.00 0.00 177.00 177.72 1jhu s GLN 57 N 3.69 0.87 -0.06 4.56 -2.07 -1.26 -4.80 119.66 120.59 1jhu s GLN 57 Ca 0.61 -0.63 -0.01 0.00 -1.82 0.00 0.00 55.36 53.50 1jhu s GLN 57 Cb -0.25 0.37 0.03 0.00 -1.09 0.00 0.00 33.01 32.07 1jhu s GLN 57 CO 0.19 -0.29 0.02 0.08 -1.32 0.00 0.00 175.29 173.97 1jhu s VAL 58 N -3.06 0.21 0.00 3.63 1.01 -1.26 -4.98 120.40 115.95 1jhu s VAL 58 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1jhu s VAL 58 Cb 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1jhu s VAL 58 CO -0.07 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1jhu n GLY 59 N 5.09 0.38 3.88 4.51 0.00 -1.26 -5.04 105.19 112.75 1jhu n GLY 59 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1jhu n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jhu s GLU 60 N 1.96 3.74 -0.01 1.61 0.41 -0.53 -4.82 118.70 121.06 1jhu s GLU 60 Ca 0.00 0.33 0.08 0.00 -0.41 0.00 0.00 54.97 54.98 1jhu s GLU 60 Cb 0.00 -2.47 -0.02 0.00 -1.78 0.00 0.00 34.13 29.86 1jhu s GLU 60 CO 0.00 0.04 -0.26 0.15 -0.49 0.00 0.00 175.26 174.71 1jhu s LYS 61 N -3.74 2.02 0.01 1.61 3.01 -1.26 -0.56 119.74 120.83 1jhu s LYS 61 Ca 0.49 -0.94 -0.01 0.00 -1.01 0.00 0.00 55.97 54.50 1jhu s LYS 61 Cb -0.10 -2.00 -0.01 0.00 -1.01 0.00 0.00 37.83 34.71 1jhu s LYS 61 CO 0.31 0.54 -0.00 0.00 0.51 0.00 0.00 175.35 176.71 1jhu s ALA 62 N -0.63 0.02 -0.23 5.17 0.00 -0.77 -0.96 121.76 124.37 1jhu s ALA 62 Ca 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1jhu s ALA 62 Cb -0.10 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1jhu s ALA 62 CO -0.00 -0.09 -0.09 0.08 0.00 0.00 0.00 175.76 175.65 1jhu s VAL 63 N -0.75 2.75 -0.30 0.00 1.01 0.47 -0.65 120.40 122.92 1jhu s VAL 63 Ca -0.08 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1jhu s VAL 63 Cb -0.05 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1jhu s VAL 63 CO -0.00 0.32 0.30 -0.76 0.00 0.00 0.00 175.10 174.96 1jhu s LEU 64 N 1.34 4.21 -0.34 3.92 1.02 0.26 -0.22 118.68 128.87 1jhu s LEU 64 Ca 0.02 -0.03 -0.09 0.00 0.02 0.00 0.00 54.13 54.05 1jhu s LEU 64 Cb -0.15 -2.28 0.02 0.00 0.02 0.00 0.00 46.19 43.80 1jhu s LEU 64 CO -0.06 -0.20 0.14 -0.69 0.02 0.00 0.00 176.35 175.56 1jhu s VAL 65 N 1.93 4.26 -0.35 -1.59 1.01 0.55 -0.91 120.40 125.30 1jhu s VAL 65 Ca 0.11 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 1jhu s VAL 65 Cb -0.16 -3.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1jhu s VAL 65 CO 0.11 -0.10 0.55 -0.04 0.00 0.00 0.00 175.10 175.62 1jhu s MET 66 N 1.52 3.63 -0.06 2.72 1.00 -0.66 -0.07 119.30 127.37 1jhu s MET 66 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 55.69 55.62 1jhu s MET 66 Cb -0.18 -3.81 -0.03 0.00 0.00 0.00 0.00 34.83 30.80 1jhu s MET 66 CO 0.05 -0.68 -0.07 0.00 0.00 0.00 0.00 175.02 174.32 1jhu s ALA 68 N -0.83 -2.01 0.28 0.00 0.00 -0.62 -0.96 121.76 117.61 1jhu s ALA 68 Ca 0.13 1.56 0.06 0.00 0.00 0.00 0.00 51.96 53.71 1jhu s ALA 68 Cb -0.11 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1jhu s ALA 68 CO 0.02 -0.48 0.39 -0.51 0.00 0.00 0.00 175.76 175.18 1jhu s ASP 69 N -1.78 6.12 -0.03 0.00 1.11 -0.37 -4.05 116.67 117.68 1jhu s ASP 69 Ca 0.06 -0.05 0.03 0.00 0.18 0.00 0.00 52.55 52.76 1jhu s ASP 69 Cb -0.01 -1.59 0.00 0.00 1.07 0.00 0.00 42.92 42.39 1jhu s ASP 69 CO -0.04 -0.20 -0.10 -1.00 1.18 0.00 0.00 175.17 175.00 1jhu s HIS 70 N -2.07 1.04 0.40 4.23 3.76 -1.26 -1.59 115.29 119.81 1jhu s HIS 70 Ca 0.38 -0.26 0.12 0.00 -0.15 0.00 0.00 55.06 55.15 1jhu s HIS 70 Cb -0.09 -0.73 0.82 0.00 1.11 0.00 0.00 32.58 33.69 1jhu s HIS 70 CO 0.29 -0.11 1.90 0.78 -0.85 0.00 0.00 174.74 176.76 1jhu h GLY 71 N 6.36 0.07 1.86 -2.22 0.00 -1.51 -2.40 103.07 105.24 1jhu h GLY 71 Ca -0.33 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1jhu h GLY 71 CO 0.49 0.04 0.04 1.55 0.00 0.00 0.00 176.54 178.66 1jhu n VAL 72 N -4.22 1.74 -0.23 4.60 3.14 -1.26 -1.38 118.33 120.72 1jhu n VAL 72 Ca -0.02 0.53 0.05 0.00 -2.96 0.00 0.00 64.34 61.95 1jhu n VAL 72 Cb 0.32 -1.53 0.31 0.00 -1.06 0.00 0.00 33.84 31.88 1jhu n VAL 72 CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 1jhu h TRP 73 N 0.00 0.87 0.00 1.45 7.01 -1.75 -1.37 115.95 122.16 1jhu h TRP 73 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1jhu h TRP 73 Cb 0.07 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 1jhu h TRP 73 CO 0.00 0.46 0.00 -0.44 -2.79 0.00 0.00 178.44 175.67 1jhu h ASP 74 N 0.86 0.00 -0.02 2.65 3.45 -1.47 -2.02 116.42 119.87 1jhu h ASP 74 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 1jhu h ASP 74 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1jhu h ASP 74 CO -0.12 0.00 0.00 -0.62 -1.57 0.00 0.00 179.24 176.93 1jhu n GLU 75 N -2.58 1.15 -2.09 3.56 -0.58 -0.52 -4.91 120.64 114.67 1jhu n GLU 75 Ca -0.02 -0.22 -0.09 0.00 -0.42 0.00 0.00 57.16 56.42 1jhu n GLU 75 Cb 0.06 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.53 1jhu n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jhu n GLY 76 N 0.94 0.10 0.33 0.62 0.00 -0.76 -4.93 105.19 101.48 1jhu n GLY 76 Ca 0.18 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.80 1jhu n GLY 76 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jhu n VAL 77 N -3.91 0.00 -3.72 1.61 0.24 -1.26 -4.86 118.33 106.43 1jhu n VAL 77 Ca -0.10 -0.17 -0.16 0.00 -2.04 0.00 0.00 64.34 61.87 1jhu n VAL 77 Cb 0.55 0.30 -0.16 0.00 -1.47 0.00 0.00 33.84 33.06 1jhu n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jhu s ALA 78 N -2.17 -0.04 -0.67 2.33 0.00 -1.26 -4.93 121.76 115.03 1jhu s ALA 78 Ca 0.35 0.44 0.26 0.00 0.00 0.00 0.00 51.96 53.01 1jhu s ALA 78 Cb 0.21 -0.50 0.86 0.00 0.00 0.00 0.00 23.12 23.69 1jhu s ALA 78 CO 0.40 -0.29 1.76 1.33 0.00 0.00 0.00 175.76 178.96 1jhu n VAL 79 N 4.64 0.65 -2.45 0.00 0.24 -1.26 -4.79 118.33 115.35 1jhu n VAL 79 Ca -0.18 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.56 1jhu n VAL 79 Cb 0.50 -0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 32.10 1jhu n VAL 79 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1jhu s SER 80 N -4.44 7.16 0.35 -1.34 0.01 -1.26 -4.97 113.70 109.21 1jhu s SER 80 Ca 0.09 2.09 -0.28 0.00 1.31 0.00 0.00 55.95 59.16 1jhu s SER 80 Cb 0.12 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.64 1jhu s SER 80 CO 0.54 -0.34 1.43 -2.84 0.41 0.00 0.00 173.24 172.44 1jhu s PRO 81 N 0.15 4.20 0.46 12.44 0.02 -1.26 -4.85 135.00 146.16 1jhu s PRO 81 Ca 0.53 2.44 0.21 0.00 0.02 0.00 0.00 61.00 64.20 1jhu s PRO 81 Cb -0.30 -3.01 1.19 0.00 0.02 0.00 0.00 34.50 32.40 1jhu s PRO 81 CO 0.33 -0.41 1.89 -0.22 -0.33 0.00 0.00 177.00 178.26 1jhu h LYS 82 N 3.28 0.28 0.00 5.54 3.64 -1.93 -0.85 116.57 126.52 1jhu h LYS 82 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1jhu h LYS 82 Cb 1.23 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1jhu h LYS 82 CO 0.66 0.18 0.00 0.97 -2.27 0.00 0.00 179.45 178.99 1jhu h ILE 83 N 0.28 0.00 -0.69 2.00 2.10 -1.96 -2.98 117.51 116.26 1jhu h ILE 83 Ca 0.42 -0.32 0.11 0.00 1.08 0.00 0.00 64.86 66.15 1jhu h ILE 83 Cb 1.21 1.19 -0.04 0.00 -1.09 0.00 0.00 36.82 38.08 1jhu h ILE 83 CO -0.12 0.00 0.46 0.58 -1.08 0.00 0.00 178.15 177.99 1jhu h VAL 84 N 0.00 0.89 -0.19 2.19 2.07 -1.50 -0.41 116.25 119.30 1jhu h VAL 84 Ca 0.00 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1jhu h VAL 84 Cb 0.37 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1jhu h VAL 84 CO 0.00 0.09 -0.06 0.74 0.02 0.00 0.00 177.57 178.36 1jhu h THR 85 N 0.51 0.77 -0.55 2.57 2.02 -1.73 0.14 112.91 116.65 1jhu h THR 85 Ca 0.32 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.40 1jhu h THR 85 Cb 0.57 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1jhu h THR 85 CO -0.10 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.74 1jhu h ALA 86 N 1.15 0.74 0.25 6.16 0.00 -1.54 -1.49 119.26 124.53 1jhu h ALA 86 Ca 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1jhu h ALA 86 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jhu h ALA 86 CO -0.21 0.61 -0.12 0.82 0.00 0.00 0.00 179.25 180.35 1jhu h ILE 87 N 0.88 0.75 -0.25 0.00 2.04 -0.65 -2.23 117.51 118.05 1jhu h ILE 87 Ca 0.15 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 1jhu h ILE 87 Cb 0.60 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1jhu h ILE 87 CO 0.04 0.00 -0.04 1.56 0.00 0.00 0.00 178.15 179.71 1jhu h GLN 88 N -0.33 0.39 -0.53 2.37 1.08 -0.74 -0.81 115.11 116.54 1jhu h GLN 88 Ca -0.03 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 1jhu h GLN 88 Cb 0.26 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1jhu h GLN 88 CO 0.05 0.45 0.24 0.00 -0.95 0.00 0.00 178.83 178.63 1jhu h ALA 89 N 1.59 0.69 -0.39 3.87 0.00 -1.04 0.86 119.26 124.84 1jhu h ALA 89 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1jhu h ALA 89 Cb 0.32 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1jhu h ALA 89 CO 0.01 0.27 0.20 0.00 0.00 0.00 0.00 179.25 179.73 1jhu h ALA 90 N 1.08 0.50 -0.57 0.00 0.00 -0.80 -1.93 119.26 117.53 1jhu h ALA 90 Ca 0.18 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1jhu h ALA 90 Cb 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1jhu h ALA 90 CO -0.02 0.03 0.39 -0.91 0.00 0.00 0.00 179.25 178.74 1jhu h ASN 91 N 0.49 0.31 -0.42 0.00 2.35 -0.51 0.20 115.58 118.00 1jhu h ASN 91 Ca 0.13 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1jhu h ASN 91 Cb 0.07 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1jhu h ASN 91 CO -0.02 0.19 0.28 0.24 -1.65 0.00 0.00 177.43 176.47 1jhu h MET 92 N 0.35 0.43 0.00 0.81 2.86 -0.02 0.88 114.93 120.23 1jhu h MET 92 Ca 0.26 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1jhu h MET 92 Cb 0.58 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1jhu h MET 92 CO -0.07 0.28 0.00 0.25 1.06 0.00 0.00 176.91 178.44 1jhu n THR 93 N -4.48 0.73 0.87 2.22 -2.24 0.71 -3.13 114.28 108.96 1jhu n THR 93 Ca 0.05 0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.96 1jhu n THR 93 Cb 0.17 -0.94 0.04 0.00 -2.10 0.00 0.00 70.33 67.50 1jhu n THR 93 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1jhu n ARG 94 N -2.24 1.67 -1.13 -0.78 1.85 0.27 -4.98 116.66 111.32 1jhu n ARG 94 Ca 0.03 -1.34 -0.05 0.00 -1.00 0.00 0.00 57.85 55.50 1jhu n ARG 94 Cb 0.31 -1.39 -0.02 0.00 -1.05 0.00 0.00 32.46 30.30 1jhu n ARG 94 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jhu n GLY 95 N 1.24 0.73 0.26 2.89 0.00 -1.02 -4.93 105.19 104.35 1jhu n GLY 95 Ca 0.10 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.50 1jhu n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jhu n THR 96 N -2.84 0.00 -1.94 2.61 -2.24 -1.23 -4.39 114.28 104.25 1jhu n THR 96 Ca -0.05 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1jhu n THR 96 Cb 0.16 0.88 0.07 0.00 -2.10 0.00 0.00 70.33 69.34 1jhu n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jhu s THR 97 N -2.68 2.70 0.13 4.28 -4.23 -1.26 -4.87 115.64 109.71 1jhu s THR 97 Ca 0.16 0.17 -0.22 0.00 -1.18 0.00 0.00 61.69 60.62 1jhu s THR 97 Cb 0.18 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 1jhu s THR 97 CO 0.65 -0.27 1.68 1.23 -0.54 0.00 0.00 174.62 177.36 1jhu h GLY 98 N -0.82 -0.06 1.40 3.99 0.00 -1.97 -0.70 103.07 104.90 1jhu h GLY 98 Ca -0.45 0.16 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1jhu h GLY 98 CO 0.64 -0.14 0.09 -0.24 0.00 0.00 0.00 176.54 176.90 1jhu h VAL 99 N -0.17 1.22 -0.21 4.60 3.04 -1.87 -2.22 116.25 120.64 1jhu h VAL 99 Ca 0.08 -0.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1jhu h VAL 99 Cb 0.29 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 1jhu h VAL 99 CO -0.21 0.30 0.13 0.00 -1.01 0.00 0.00 177.57 176.78 1jhu h VAL 101 N 0.27 1.18 -0.16 0.00 2.07 -0.94 -0.81 116.25 117.86 1jhu h VAL 101 Ca 0.08 -0.44 -0.18 0.00 0.82 0.00 0.00 66.70 66.98 1jhu h VAL 101 Cb -0.01 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1jhu h VAL 101 CO -0.02 0.19 -0.64 -0.07 0.02 0.00 0.00 177.57 177.05 1jhu h LEU 102 N 0.74 0.66 -0.50 2.57 3.38 -1.30 -2.40 115.31 118.46 1jhu h LEU 102 Ca 0.19 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1jhu h LEU 102 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1jhu h LEU 102 CO -0.03 1.13 0.01 0.00 0.09 0.00 0.00 178.44 179.64 1jhu h ALA 103 N 0.87 0.68 -0.57 1.53 0.00 -0.46 -1.21 119.26 120.11 1jhu h ALA 103 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1jhu h ALA 103 Cb 1.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1jhu h ALA 103 CO 0.12 0.48 0.32 0.00 0.00 0.00 0.00 179.25 180.17 1jhu h ALA 104 N 0.94 1.50 -0.33 0.00 0.00 -1.12 0.21 119.26 120.46 1jhu h ALA 104 Ca 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1jhu h ALA 104 Cb 0.51 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jhu h ALA 104 CO 0.02 0.42 -0.05 0.37 0.00 0.00 0.00 179.25 180.02 1jhu h GLN 105 N 0.78 0.53 -0.01 0.00 5.75 -0.88 -2.46 115.11 118.82 1jhu h GLN 105 Ca 0.20 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1jhu h GLN 105 Cb 0.00 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1jhu h GLN 105 CO -0.04 0.60 -0.12 0.00 -2.65 0.00 0.00 178.83 176.62 1jhu n ALA 106 N -2.48 2.82 -1.79 3.38 0.00 -0.10 -4.95 120.51 117.39 1jhu n ALA 106 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 53.44 52.95 1jhu n ALA 106 Cb 0.28 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 1jhu n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jhu n GLY 107 N 1.26 0.41 3.84 0.00 0.00 0.53 -4.92 105.19 106.30 1jhu n GLY 107 Ca 0.16 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1jhu n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhu s ALA 108 N -2.35 3.69 -0.11 4.61 0.00 -0.25 -4.57 121.76 122.78 1jhu s ALA 108 Ca 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 1jhu s ALA 108 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1jhu s ALA 108 CO 0.00 0.55 0.09 0.15 0.00 0.00 0.00 175.76 176.55 1jhu s LYS 109 N -3.05 3.30 -0.20 0.00 1.02 -0.13 -4.22 119.74 116.46 1jhu s LYS 109 Ca 0.32 -0.23 -0.14 0.00 0.02 0.00 0.00 55.97 55.94 1jhu s LYS 109 Cb -0.11 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1jhu s LYS 109 CO 0.25 0.74 0.33 0.08 -0.92 0.00 0.00 175.35 175.83 1jhu s VAL 110 N -0.95 5.25 -0.29 3.17 1.01 -1.26 -0.40 120.40 126.93 1jhu s VAL 110 Ca 0.14 0.58 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 1jhu s VAL 110 Cb -0.12 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1jhu s VAL 110 CO 0.03 0.30 0.03 -1.00 0.00 0.00 0.00 175.10 174.47 1jhu s HIS 111 N 1.06 3.16 -0.22 5.22 3.76 0.70 -4.94 115.29 124.02 1jhu s HIS 111 Ca 0.16 -1.33 -0.16 0.00 -0.15 0.00 0.00 55.06 53.58 1jhu s HIS 111 Cb -0.14 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 1jhu s HIS 111 CO 0.06 -0.67 0.43 0.08 -0.85 0.00 0.00 174.74 173.79 1jhu s VAL 112 N 1.40 5.16 -0.13 -0.90 1.01 -1.26 -0.33 120.40 125.35 1jhu s VAL 112 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1jhu s VAL 112 Cb -0.18 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1jhu s VAL 112 CO 0.00 0.19 -0.16 -0.63 0.00 0.00 0.00 175.10 174.51 1jhu s ILE 113 N 1.67 1.59 -0.41 2.22 1.01 0.89 -0.86 121.20 127.32 1jhu s ILE 113 Ca 0.19 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 1jhu s ILE 113 Cb -0.15 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1jhu s ILE 113 CO 0.09 0.46 0.59 -0.62 0.00 0.00 0.00 174.94 175.45 1jhu s ASP 114 N 1.18 6.32 0.00 3.58 3.68 0.34 -0.21 116.67 131.56 1jhu s ASP 114 Ca -0.02 -0.26 0.17 0.00 2.13 0.00 0.00 52.55 54.58 1jhu s ASP 114 Cb -0.14 -2.30 -0.00 0.00 -1.45 0.00 0.00 42.92 39.03 1jhu s ASP 114 CO -0.05 -0.66 0.89 1.33 0.13 0.00 0.00 175.17 176.80 1jhu n VAL 115 N 5.67 0.00 0.00 1.11 0.24 -0.13 -0.65 118.33 124.57 1jhu n VAL 115 Ca -0.03 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1jhu n VAL 115 Cb 0.48 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 1jhu n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhu n GLY 116 N 1.18 0.00 3.75 7.63 0.00 -1.07 -1.01 105.19 115.68 1jhu n GLY 116 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1jhu n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jhu s ILE 117 N 0.00 3.42 -1.27 -0.61 1.01 -1.26 -1.24 121.20 121.26 1jhu s ILE 117 Ca 0.00 1.28 -0.12 0.00 0.00 0.00 0.00 60.65 61.81 1jhu s ILE 117 Cb 0.00 -3.81 0.15 0.00 0.01 0.00 0.00 42.46 38.81 1jhu s ILE 117 CO 0.00 0.24 1.72 -0.67 0.00 0.00 0.00 174.94 176.23 1jhu n ASP 118 N 1.95 5.04 -3.62 3.58 4.64 -1.26 -4.23 116.55 122.65 1jhu n ASP 118 Ca 0.02 -3.02 -0.03 0.00 -1.38 0.00 0.00 54.79 50.39 1jhu n ASP 118 Cb 0.44 -1.55 -0.00 0.00 -1.04 0.00 0.00 41.12 38.97 1jhu n ASP 118 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jhu s ALA 119 N 1.37 -1.72 0.75 -1.67 0.00 -1.26 -4.98 121.76 114.25 1jhu s ALA 119 Ca 0.43 0.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.31 1jhu s ALA 119 Cb 0.05 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.86 1jhu s ALA 119 CO 0.00 -1.05 1.15 -1.21 0.00 0.00 0.00 175.76 174.65 1jhu s GLU 120 N -2.81 2.12 0.54 0.00 2.02 -1.26 -4.92 118.70 114.40 1jhu s GLU 120 Ca 0.16 1.54 -0.22 0.00 0.02 0.00 0.00 54.97 56.47 1jhu s GLU 120 Cb -0.01 -1.85 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 1jhu s GLU 120 CO 0.02 -1.80 1.36 -2.30 0.02 0.00 0.00 175.26 172.57 1jhu n PRO 121 N -3.03 1.72 -3.76 0.39 -0.02 -1.26 -4.98 135.00 124.07 1jhu n PRO 121 Ca 0.12 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 1jhu n PRO 121 Cb 0.51 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 1jhu n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jhu s ILE 122 N -1.28 4.27 0.37 4.25 1.01 -1.26 -5.07 121.20 123.49 1jhu s ILE 122 Ca 0.71 -0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.86 1jhu s ILE 122 Cb -0.42 -3.01 -0.11 0.00 0.01 0.00 0.00 42.46 38.94 1jhu s ILE 122 CO 0.50 0.32 1.44 -2.84 0.00 0.00 0.00 174.94 174.36 1jhu s PRO 123 N 1.60 4.13 0.00 2.79 0.02 -1.26 -1.82 135.00 140.46 1jhu s PRO 123 Ca 0.06 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1jhu s PRO 123 Cb -0.15 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1jhu s PRO 123 CO 0.03 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 1jhu n GLY 124 N 0.54 3.34 3.79 0.52 0.00 -1.26 -5.03 105.19 107.09 1jhu n GLY 124 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1jhu n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhu s VAL 125 N -2.62 4.93 0.09 1.61 1.01 -0.76 -4.92 120.40 119.75 1jhu s VAL 125 Ca 0.00 1.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.76 1jhu s VAL 125 Cb 0.00 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 1jhu s VAL 125 CO 0.00 0.49 1.64 -0.69 0.00 0.00 0.00 175.10 176.53 1jhu s VAL 126 N -0.57 2.95 -0.41 2.92 1.01 -0.04 -4.86 120.40 121.40 1jhu s VAL 126 Ca 0.28 0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 1jhu s VAL 126 Cb -0.18 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1jhu s VAL 126 CO 0.16 0.01 0.52 0.21 0.00 0.00 0.00 175.10 175.99 1jhu s ASN 127 N 2.16 6.26 -0.06 3.32 3.84 -1.26 -0.50 114.94 128.69 1jhu s ASN 127 Ca 0.73 -0.43 0.24 0.00 0.21 0.00 0.00 52.86 53.60 1jhu s ASN 127 Cb -0.41 -2.26 0.44 0.00 -0.55 0.00 0.00 41.25 38.47 1jhu s ASN 127 CO 0.32 -0.63 1.17 0.23 -2.79 0.00 0.00 177.10 175.40 1jhu n MET 128 N 5.86 0.45 -1.73 0.43 2.81 0.18 -4.97 117.12 120.13 1jhu n MET 128 Ca -0.05 -2.36 -0.42 0.00 -1.81 0.00 0.00 57.70 53.06 1jhu n MET 128 Cb 0.48 -0.41 -0.03 0.00 -0.71 0.00 0.00 33.22 32.55 1jhu n MET 128 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1jhu s ARG 129 N -0.87 4.14 -0.15 0.03 1.70 -0.39 -4.37 118.95 119.03 1jhu s ARG 129 Ca 0.34 2.59 -0.25 0.00 -0.47 0.00 0.00 55.73 57.93 1jhu s ARG 129 Cb 0.38 -3.37 -0.24 0.00 -0.57 0.00 0.00 34.95 31.14 1jhu s ARG 129 CO -0.14 -0.80 0.58 0.28 -1.08 0.00 0.00 175.30 174.15 1jhu h VAL 130 N 4.32 1.43 -3.31 4.99 2.07 -1.36 -3.47 116.25 120.92 1jhu h VAL 130 Ca -0.45 -2.31 -0.02 0.00 0.82 0.00 0.00 66.70 64.75 1jhu h VAL 130 Cb 1.21 2.95 -0.06 0.00 -1.52 0.00 0.00 31.29 33.88 1jhu h VAL 130 CO 0.95 0.53 0.09 0.00 0.02 0.00 0.00 177.57 179.16 1jhu s ALA 131 N -2.30 -0.64 -1.28 1.67 0.00 -1.26 -5.06 121.76 112.89 1jhu s ALA 131 Ca -0.22 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 1jhu s ALA 131 Cb 0.01 0.92 0.10 0.00 0.00 0.00 0.00 23.12 24.14 1jhu s ALA 131 CO 0.67 -0.95 1.66 0.54 0.00 0.00 0.00 175.76 177.69 1jhu n ARG 132 N -0.45 3.24 0.00 0.00 1.74 -1.26 -4.16 116.66 115.77 1jhu n ARG 132 Ca -0.04 -3.43 0.00 0.00 -0.77 0.00 0.00 57.85 53.62 1jhu n ARG 132 Cb 0.60 -3.37 0.00 0.00 -1.02 0.00 0.00 32.46 28.67 1jhu n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jhu n GLY 133 N 5.02 -2.23 3.94 -0.13 0.00 -0.45 -4.64 105.19 106.70 1jhu n GLY 133 Ca 0.46 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 1jhu n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhu s GLY 135 N -4.57 2.18 -0.49 0.00 0.00 0.35 -1.86 107.32 102.93 1jhu s GLY 135 Ca 0.62 0.56 -0.28 0.00 0.00 0.00 0.00 44.72 45.62 1jhu s GLY 135 CO 0.45 0.91 1.65 0.21 0.00 0.00 0.00 173.10 176.32 1jhu s ASN 136 N -2.54 5.85 0.51 1.64 3.84 -1.26 -4.03 114.94 118.94 1jhu s ASN 136 Ca 0.67 0.66 0.34 0.00 0.21 0.00 0.00 52.86 54.75 1jhu s ASN 136 Cb -0.21 -2.53 1.79 0.00 -0.55 0.00 0.00 41.25 39.75 1jhu s ASN 136 CO 0.41 -1.86 2.04 0.16 -2.79 0.00 0.00 177.10 175.06 1jhu h ILE 137 N 6.66 0.00 0.00 -5.21 3.07 -1.83 -2.42 117.51 117.78 1jhu h ILE 137 Ca -0.29 -0.07 -0.02 0.00 1.55 0.00 0.00 64.86 66.04 1jhu h ILE 137 Cb 1.14 0.86 -0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1jhu h ILE 137 CO 1.14 0.00 -0.11 0.00 -1.05 0.00 0.00 178.15 178.13 1jhu h ALA 138 N 2.02 1.60 0.00 0.16 0.00 -1.89 -3.21 119.26 117.93 1jhu h ALA 138 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jhu h ALA 138 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jhu h ALA 138 CO 0.00 0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.72 1jhu n VAL 139 N -4.08 0.30 -2.28 0.00 0.24 -0.94 -4.36 118.33 107.20 1jhu n VAL 139 Ca -0.02 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1jhu n VAL 139 Cb 0.19 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 1jhu n VAL 139 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhu n GLY 140 N -0.15 -1.21 3.81 7.63 0.00 -1.02 -5.04 105.19 109.22 1jhu n GLY 140 Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1jhu n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jhu s PRO 141 N -0.50 3.36 0.19 1.61 0.04 -1.26 -3.70 135.00 134.74 1jhu s PRO 141 Ca 0.00 1.10 -0.05 0.00 0.04 0.00 0.00 61.00 62.09 1jhu s PRO 141 Cb 0.00 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.62 1jhu s PRO 141 CO 0.00 -0.76 1.56 0.00 0.04 0.00 0.00 177.00 177.84 1jhu h ALA 142 N 0.29 0.77 -2.52 8.56 0.00 -0.48 -3.38 119.26 122.49 1jhu h ALA 142 Ca -0.46 -0.43 0.11 0.00 0.00 0.00 0.00 54.91 54.13 1jhu h ALA 142 Cb 1.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1jhu h ALA 142 CO 0.58 0.65 0.47 0.00 0.00 0.00 0.00 179.25 180.96 1jhu n MET 143 N -4.06 0.65 -2.81 0.00 0.00 -0.49 -0.49 117.12 109.92 1jhu n MET 143 Ca -0.01 -1.42 -0.30 0.00 0.00 0.00 0.00 57.70 55.97 1jhu n MET 143 Cb 0.51 1.89 -0.02 0.00 0.00 0.00 0.00 33.22 35.59 1jhu n MET 143 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1jhu s SER 144 N -3.09 6.45 0.24 3.17 1.04 -1.26 -4.53 113.70 115.71 1jhu s SER 144 Ca 0.19 1.07 -0.06 0.00 0.48 0.00 0.00 55.95 57.63 1jhu s SER 144 Cb -0.03 -2.30 0.30 0.00 0.10 0.00 0.00 66.02 64.09 1jhu s SER 144 CO 0.06 -0.44 1.87 -0.09 0.98 0.00 0.00 173.24 175.62 1jhu h ARG 145 N 1.01 1.03 -0.37 4.02 2.43 -1.93 -1.60 114.38 118.97 1jhu h ARG 145 Ca -0.47 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1jhu h ARG 145 Cb 1.19 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1jhu h ARG 145 CO 0.63 0.68 0.18 -0.07 -1.51 0.00 0.00 179.97 179.88 1jhu h LEU 146 N 1.06 0.25 -1.07 3.80 4.07 -1.99 -1.03 115.31 120.41 1jhu h LEU 146 Ca 0.36 0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.41 1jhu h LEU 146 Cb 0.07 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 41.72 1jhu h LEU 146 CO -0.14 0.19 0.63 1.56 -1.08 0.00 0.00 178.44 179.60 1jhu h GLN 147 N 0.36 1.09 -0.19 1.13 4.20 -1.74 -0.99 115.11 118.97 1jhu h GLN 147 Ca 0.16 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1jhu h GLN 147 Cb 0.07 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1jhu h GLN 147 CO -0.11 0.72 -0.03 0.00 -0.67 0.00 0.00 178.83 178.74 1jhu h ALA 148 N 1.48 0.26 -0.27 3.87 0.00 -0.63 -2.15 119.26 121.81 1jhu h ALA 148 Ca 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jhu h ALA 148 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jhu h ALA 148 CO -0.16 0.01 0.17 0.93 0.00 0.00 0.00 179.25 180.20 1jhu h GLU 149 N 0.09 0.35 -0.65 0.00 5.08 -0.72 -0.98 114.58 117.74 1jhu h GLU 149 Ca 0.05 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1jhu h GLU 149 Cb 0.45 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1jhu h GLU 149 CO 0.01 0.23 0.43 0.00 -1.00 0.00 0.00 179.01 178.69 1jhu h ALA 150 N 1.11 0.83 -0.59 3.43 0.00 -1.20 -0.58 119.26 122.26 1jhu h ALA 150 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jhu h ALA 150 Cb -0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1jhu h ALA 150 CO -0.03 0.25 0.20 1.25 0.00 0.00 0.00 179.25 180.93 1jhu h LEU 151 N 0.88 0.85 -0.15 0.00 5.85 -1.14 -0.82 115.31 120.79 1jhu h LEU 151 Ca 0.24 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1jhu h LEU 151 Cb -0.10 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.66 1jhu h LEU 151 CO -0.05 0.82 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.61 1jhu h LEU 152 N 0.83 -0.58 -0.05 2.25 3.38 -0.70 0.57 115.31 121.02 1jhu h LEU 152 Ca 0.19 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.29 1jhu h LEU 152 Cb 0.26 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1jhu h LEU 152 CO -0.01 -0.24 -0.09 -0.07 0.09 0.00 0.00 178.44 178.12 1jhu h LEU 153 N -0.23 -0.28 -0.38 1.67 4.07 -0.86 -0.59 115.31 118.70 1jhu h LEU 153 Ca 0.10 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1jhu h LEU 153 Cb 0.38 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 1jhu h LEU 153 CO -0.28 -0.13 0.20 -0.08 -1.08 0.00 0.00 178.44 177.07 1jhu h GLU 154 N -0.14 0.54 -0.37 1.13 4.81 -0.89 -1.31 114.58 118.35 1jhu h GLU 154 Ca 0.05 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1jhu h GLU 154 Cb 0.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1jhu h GLU 154 CO -0.13 0.45 -0.00 0.28 -0.73 0.00 0.00 179.01 178.88 1jhu h VAL 155 N 0.49 1.26 -0.51 0.32 2.07 -0.79 -2.03 116.25 117.06 1jhu h VAL 155 Ca 0.13 -0.99 0.10 0.00 0.82 0.00 0.00 66.70 66.77 1jhu h VAL 155 Cb 0.07 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 1jhu h VAL 155 CO -0.02 0.33 -0.03 0.28 0.02 0.00 0.00 177.57 178.15 1jhu h SER 156 N 0.47 -0.29 -0.21 0.57 0.02 -0.99 0.04 113.55 113.17 1jhu h SER 156 Ca 0.10 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1jhu h SER 156 Cb 0.46 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1jhu h SER 156 CO 0.02 -0.10 0.05 0.03 -1.14 0.00 0.00 176.83 175.68 1jhu h ARG 157 N 0.08 0.33 -0.95 3.45 3.08 -1.16 -2.37 114.38 116.85 1jhu h ARG 157 Ca 0.26 -0.08 0.13 0.00 0.07 0.00 0.00 59.98 60.35 1jhu h ARG 157 Cb 0.39 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.31 1jhu h ARG 157 CO -0.45 0.46 0.57 -0.92 -1.07 0.00 0.00 179.97 178.56 1jhu h TYR 158 N 0.14 1.03 -0.05 3.04 3.20 -0.58 -0.14 116.97 123.62 1jhu h TYR 158 Ca 0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1jhu h TYR 158 Cb 0.28 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1jhu h TYR 158 CO 0.01 0.37 0.02 1.15 -1.64 0.00 0.00 178.16 178.07 1jhu h THR 159 N 0.88 1.15 -0.69 1.81 2.02 -0.80 -2.62 112.91 114.66 1jhu h THR 159 Ca 0.48 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 1jhu h THR 159 Cb 0.53 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 1jhu h THR 159 CO -0.29 0.12 0.28 0.00 0.37 0.00 0.00 175.52 176.01 1jhu h ASP 161 N 1.00 0.45 -0.70 0.00 2.03 -0.90 -1.26 116.42 117.04 1jhu h ASP 161 Ca 0.23 0.03 0.08 0.00 -0.73 0.00 0.00 57.03 56.65 1jhu h ASP 161 Cb 0.18 -0.06 -0.04 0.00 -0.83 0.00 0.00 39.33 38.58 1jhu h ASP 161 CO -0.02 0.30 0.46 -0.07 -1.03 0.00 0.00 179.24 178.88 1jhu h LEU 162 N 0.58 0.58 -1.35 0.15 3.38 -1.12 0.73 115.31 118.26 1jhu h LEU 162 Ca 0.26 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.37 1jhu h LEU 162 Cb 0.16 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1jhu h LEU 162 CO -0.17 0.36 0.55 0.00 0.09 0.00 0.00 178.44 179.26 1jhu h ALA 163 N 1.63 1.85 0.00 1.53 0.00 -1.14 0.18 119.26 123.31 1jhu h ALA 163 Ca 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1jhu h ALA 163 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jhu h ALA 163 CO -0.11 -0.05 -0.09 1.96 0.00 0.00 0.00 179.25 180.96 1jhu h GLN 164 N 0.67 0.00 -0.67 0.00 4.20 -0.66 -2.67 115.11 115.98 1jhu h GLN 164 Ca 0.41 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.10 1jhu h GLN 164 Cb 0.64 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1jhu h GLN 164 CO -0.17 0.09 0.03 0.54 -0.67 0.00 0.00 178.83 178.65 1jhu n ARG 165 N -3.50 4.18 -0.11 1.46 5.12 0.62 -4.90 116.66 119.53 1jhu n ARG 165 Ca -0.02 -2.64 0.00 0.00 -1.93 0.00 0.00 57.85 53.26 1jhu n ARG 165 Cb 0.23 -2.14 0.00 0.00 -1.16 0.00 0.00 32.46 29.39 1jhu n ARG 165 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jhu n GLY 166 N 0.46 0.68 3.72 -0.13 0.00 -1.01 -4.99 105.19 103.92 1jhu n GLY 166 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1jhu n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhu s VAL 167 N -2.35 3.89 0.00 1.61 1.01 -1.13 -1.45 120.40 121.98 1jhu s VAL 167 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1jhu s VAL 167 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1jhu s VAL 167 CO 0.00 0.12 0.00 0.35 0.00 0.00 0.00 175.10 175.57 1jhu n THR 168 N 3.76 0.00 -3.73 3.92 -2.24 0.27 -4.34 114.28 111.91 1jhu n THR 168 Ca 0.09 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 61.21 1jhu n THR 168 Cb 0.46 0.96 -0.18 0.00 -2.10 0.00 0.00 70.33 69.47 1jhu n THR 168 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jhu s LEU 169 N -2.02 0.44 0.18 3.22 2.96 -1.11 -4.19 118.68 118.17 1jhu s LEU 169 Ca 0.00 0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1jhu s LEU 169 Cb 0.00 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.44 1jhu s LEU 169 CO 0.00 -0.21 0.14 -0.36 -1.32 0.00 0.00 176.35 174.60 1jhu s PHE 170 N 1.90 3.12 -0.01 5.38 0.40 -0.69 -1.85 117.98 126.23 1jhu s PHE 170 Ca 0.02 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.34 1jhu s PHE 170 Cb -0.12 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 1jhu s PHE 170 CO -0.03 0.52 -0.10 0.20 0.70 0.00 0.00 175.22 176.50 1jhu s GLY 171 N -3.24 0.52 -0.04 4.36 0.00 0.18 -0.45 107.32 108.65 1jhu s GLY 171 Ca 0.31 -0.44 0.07 0.00 0.00 0.00 0.00 44.72 44.65 1jhu s GLY 171 CO 0.23 -0.35 -0.24 0.54 0.00 0.00 0.00 173.10 173.29 1jhu s VAL 172 N -0.20 2.20 0.31 1.40 0.11 -1.01 -0.57 120.40 122.64 1jhu s VAL 172 Ca 0.03 -1.04 -0.10 0.00 -2.93 0.00 0.00 61.98 57.94 1jhu s VAL 172 Cb -0.05 -1.79 0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1jhu s VAL 172 CO -0.00 0.58 0.56 -0.83 -3.33 0.00 0.00 175.10 172.07 1jhu s GLY 173 N -0.49 0.78 0.22 6.54 0.00 -0.08 -4.14 107.32 110.15 1jhu s GLY 173 Ca 0.06 -1.03 -0.07 0.00 0.00 0.00 0.00 44.72 43.68 1jhu s GLY 173 CO 0.01 -0.65 0.30 -1.83 0.00 0.00 0.00 173.10 170.93 1jhu s GLU 174 N -3.32 1.38 -0.27 2.90 4.04 -1.26 -1.66 118.70 120.50 1jhu s GLU 174 Ca 0.23 -1.45 -0.03 0.00 0.04 0.00 0.00 54.97 53.76 1jhu s GLU 174 Cb -0.02 0.37 0.16 0.00 0.02 0.00 0.00 34.13 34.66 1jhu s GLU 174 CO 0.13 -0.52 0.52 -1.17 -1.84 0.00 0.00 175.26 172.39 1jhu s LEU 175 N -3.09 -1.06 -0.30 1.83 2.96 -0.75 -1.67 118.68 116.59 1jhu s LEU 175 Ca 0.31 0.77 -0.14 0.00 -0.22 0.00 0.00 54.13 54.84 1jhu s LEU 175 Cb 0.03 1.79 0.18 0.00 0.50 0.00 0.00 46.19 48.69 1jhu s LEU 175 CO 0.11 -0.27 1.07 -0.83 -1.32 0.00 0.00 176.35 175.11 1jhu s GLY 176 N 2.75 -0.25 0.23 7.98 0.00 -1.26 -1.59 107.32 115.18 1jhu s GLY 176 Ca 0.13 2.92 -0.32 0.00 0.00 0.00 0.00 44.72 47.46 1jhu s GLY 176 CO -0.18 3.66 1.66 1.03 0.00 0.00 0.00 173.10 179.26 1jhu n MET 177 N 5.29 2.65 -0.81 2.90 2.81 -1.26 -1.75 117.12 126.95 1jhu n MET 177 Ca -0.07 0.95 0.00 0.00 -1.81 0.00 0.00 57.70 56.77 1jhu n MET 177 Cb 0.54 -2.76 0.00 0.00 -0.71 0.00 0.00 33.22 30.28 1jhu n MET 177 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jhu n ALA 178 N 3.26 0.00 0.31 3.04 0.00 -1.26 -4.32 120.51 121.54 1jhu n ALA 178 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.72 1jhu n ALA 178 Cb 0.35 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.45 1jhu n ALA 178 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1jhu h ASN 179 N 0.00 0.00 0.86 0.00 7.08 -1.73 -2.65 115.58 119.13 1jhu h ASN 179 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1jhu h ASN 179 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1jhu h ASN 179 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 1jhu n THR 180 N -2.53 0.72 0.07 6.14 -2.24 -1.26 -2.48 114.28 112.70 1jhu n THR 180 Ca 0.00 0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1jhu n THR 180 Cb 0.18 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.43 1jhu n THR 180 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1jhu h THR 181 N 0.00 0.54 -0.40 4.28 2.02 -1.85 -1.65 112.91 115.86 1jhu h THR 181 Ca 0.00 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1jhu h THR 181 Cb 0.43 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1jhu h THR 181 CO 0.00 0.15 0.18 1.55 0.37 0.00 0.00 175.52 177.77 1jhu h PRO 182 N -0.97 0.55 -0.21 6.66 0.13 -1.74 -1.31 132.00 135.11 1jhu h PRO 182 Ca -0.03 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1jhu h PRO 182 Cb 0.45 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 1jhu h PRO 182 CO 0.05 0.44 0.08 0.00 -0.23 0.00 0.00 178.00 178.33 1jhu h ALA 183 N 1.65 0.24 -0.84 -0.56 0.00 -1.54 -0.55 119.26 117.65 1jhu h ALA 183 Ca 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1jhu h ALA 183 Cb 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1jhu h ALA 183 CO -0.02 -0.34 0.40 0.00 0.00 0.00 0.00 179.25 179.29 1jhu h ALA 184 N 1.12 1.08 -0.28 0.00 0.00 -0.66 -1.68 119.26 118.84 1jhu h ALA 184 Ca 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jhu h ALA 184 Cb 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1jhu h ALA 184 CO -0.08 0.65 0.14 0.00 0.00 0.00 0.00 179.25 179.95 1jhu h ALA 185 N 1.22 0.33 -0.23 0.00 0.00 -0.73 0.22 119.26 120.06 1jhu h ALA 185 Ca 0.29 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1jhu h ALA 185 Cb 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1jhu h ALA 185 CO -0.04 -0.25 0.05 0.52 0.00 0.00 0.00 179.25 179.53 1jhu h MET 186 N 0.29 0.14 -0.14 0.00 2.86 -0.89 -1.61 114.93 115.59 1jhu h MET 186 Ca 0.11 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1jhu h MET 186 Cb 0.03 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1jhu h MET 186 CO -0.08 0.09 -0.06 0.28 1.06 0.00 0.00 176.91 178.21 1jhu h VAL 187 N 0.15 0.81 -0.24 -2.22 2.07 -0.94 0.12 116.25 116.00 1jhu h VAL 187 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1jhu h VAL 187 Cb 0.09 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1jhu h VAL 187 CO -0.13 0.00 -0.14 -1.28 0.02 0.00 0.00 177.57 176.04 1jhu h SER 188 N -0.04 -0.47 0.44 0.57 0.87 -0.74 0.10 113.55 114.29 1jhu h SER 188 Ca 0.07 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1jhu h SER 188 Cb 0.15 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1jhu h SER 188 CO -0.16 -0.18 -0.32 0.58 -0.53 0.00 0.00 176.83 176.22 1jhu h VAL 189 N -0.12 0.35 -0.46 2.23 2.07 -0.81 0.56 116.25 120.05 1jhu h VAL 189 Ca 0.13 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 1jhu h VAL 189 Cb 0.32 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1jhu h VAL 189 CO -0.32 0.00 0.02 -0.26 0.02 0.00 0.00 177.57 177.03 1jhu h PHE 190 N -0.74 0.79 -0.01 1.57 0.04 -0.63 -3.14 116.94 114.82 1jhu h PHE 190 Ca -0.04 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1jhu h PHE 190 Cb 0.63 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1jhu h PHE 190 CO -0.13 0.72 -0.56 0.25 -0.60 0.00 0.00 178.31 178.00 1jhu n THR 191 N -4.24 0.00 -1.96 -1.55 -2.24 0.35 -4.94 114.28 99.70 1jhu n THR 191 Ca 0.03 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1jhu n THR 191 Cb 0.28 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 1jhu n THR 191 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jhu n GLY 192 N 1.43 0.38 3.88 3.38 0.00 0.19 -4.99 105.19 109.46 1jhu n GLY 192 Ca 0.08 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1jhu n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jhu s SER 193 N -2.54 6.56 0.45 1.61 0.01 -0.68 -5.02 113.70 114.09 1jhu s SER 193 Ca 0.00 0.86 -0.22 0.00 1.31 0.00 0.00 55.95 57.91 1jhu s SER 193 Cb 0.00 -2.20 -0.09 0.00 0.21 0.00 0.00 66.02 63.94 1jhu s SER 193 CO 0.00 -0.13 1.02 -0.62 0.41 0.00 0.00 173.24 173.93 1jhu s ASP 194 N -2.65 6.59 0.25 2.44 2.15 -1.26 -4.54 116.67 119.66 1jhu s ASP 194 Ca 0.46 1.91 -0.04 0.00 0.43 0.00 0.00 52.55 55.31 1jhu s ASP 194 Cb -0.11 -2.56 0.50 0.00 -0.30 0.00 0.00 42.92 40.45 1jhu s ASP 194 CO 0.24 -0.61 1.66 0.00 -0.17 0.00 0.00 175.17 176.30 1jhu h ALA 195 N 1.93 0.96 -0.56 3.66 0.00 -1.94 -1.48 119.26 121.82 1jhu h ALA 195 Ca -0.49 0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.69 1jhu h ALA 195 Cb 1.21 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1jhu h ALA 195 CO 0.60 -0.39 0.37 1.57 0.00 0.00 0.00 179.25 181.41 1jhu h LYS 196 N 0.21 0.45 0.00 0.00 -0.00 -1.92 -0.96 116.57 114.34 1jhu h LYS 196 Ca 0.44 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 61.06 1jhu h LYS 196 Cb 0.79 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.92 1jhu h LYS 196 CO -0.58 0.30 0.00 1.05 -0.00 0.00 0.00 179.45 180.22 1jhu h GLU 197 N 0.47 0.00 0.00 0.07 -0.00 -1.65 -3.32 114.58 110.15 1jhu h GLU 197 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.61 1jhu h GLU 197 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.12 1jhu h GLU 197 CO -0.07 0.00 0.00 1.33 -0.00 0.00 0.00 179.01 180.27 1jhu n VAL 198 N -2.84 0.00 -2.91 -1.06 0.24 -0.82 -4.29 118.33 106.65 1jhu n VAL 198 Ca 0.02 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 1jhu n VAL 198 Cb 0.37 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 33.73 1jhu n VAL 198 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jhu s VAL 199 N -0.35 4.87 0.31 3.34 1.01 -0.43 -3.64 120.40 125.51 1jhu s VAL 199 Ca 0.00 1.55 0.02 0.00 0.00 0.00 0.00 61.98 63.55 1jhu s VAL 199 Cb 0.00 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1jhu s VAL 199 CO 0.00 -0.01 0.17 0.61 0.00 0.00 0.00 175.10 175.87 1jhu n GLY 200 N 3.64 3.13 0.10 4.51 0.00 -1.26 -4.82 105.19 110.49 1jhu n GLY 200 Ca 0.04 -2.26 0.12 0.00 0.00 0.00 0.00 46.02 43.92 1jhu n GLY 200 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jhu n ILE 201 N -1.10 0.69 -0.97 -0.61 5.41 -1.26 -4.95 119.36 116.56 1jhu n ILE 201 Ca -0.04 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1jhu n ILE 201 Cb 0.36 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 1jhu n ILE 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jhu n GLY 202 N 0.59 3.09 3.08 7.39 0.00 -1.26 0.39 105.19 118.46 1jhu n GLY 202 Ca 0.04 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1jhu n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhu n ALA 203 N 9.80 4.84 -3.31 4.61 0.00 -1.26 -4.49 120.51 130.69 1jhu n ALA 203 Ca 0.00 -4.30 -0.18 0.00 0.00 0.00 0.00 53.44 48.97 1jhu n ALA 203 Cb 0.00 -3.00 0.06 0.00 0.00 0.00 0.00 19.45 16.51 1jhu n ALA 203 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jhu n ASN 204 N 4.46 -4.94 -4.74 0.00 3.02 -1.16 -4.72 115.26 107.19 1jhu n ASN 204 Ca 0.39 -0.42 -0.41 0.00 -0.03 0.00 0.00 54.58 54.10 1jhu n ASN 204 Cb 0.38 -3.98 -0.03 0.00 -0.61 0.00 0.00 39.78 35.55 1jhu n ASN 204 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jhu s LEU 205 N -5.76 4.43 0.47 3.41 2.96 0.16 -4.90 118.68 119.45 1jhu s LEU 205 Ca 0.39 2.35 -0.24 0.00 -0.22 0.00 0.00 54.13 56.41 1jhu s LEU 205 Cb -0.17 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.83 1jhu s LEU 205 CO 0.56 -0.47 1.34 -2.84 -1.32 0.00 0.00 176.35 173.62 1jhu s PRO 206 N -0.19 3.61 0.40 0.98 0.02 -1.26 -4.84 135.00 133.73 1jhu s PRO 206 Ca 0.55 2.22 0.17 0.00 0.02 0.00 0.00 61.00 63.97 1jhu s PRO 206 Cb -0.35 -2.54 1.06 0.00 0.02 0.00 0.00 34.50 32.69 1jhu s PRO 206 CO 0.38 -0.81 1.82 -1.00 -0.33 0.00 0.00 177.00 177.06 1jhu h PRO 207 N 2.14 0.42 0.41 5.54 0.13 -1.99 -1.81 132.00 136.84 1jhu h PRO 207 Ca -0.50 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1jhu h PRO 207 Cb 1.27 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1jhu h PRO 207 CO 0.60 0.28 -0.33 0.66 -0.23 0.00 0.00 178.00 178.98 1jhu h SER 208 N 0.43 -0.88 0.00 1.44 4.64 -2.03 -2.98 113.55 114.17 1jhu h SER 208 Ca 0.53 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1jhu h SER 208 Cb 1.29 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1jhu h SER 208 CO -0.24 -0.49 0.14 0.03 -0.87 0.00 0.00 176.83 175.41 1jhu h ARG 209 N -0.74 0.00 -0.22 4.77 3.08 -1.70 -3.27 114.38 116.30 1jhu h ARG 209 Ca -0.04 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.07 1jhu h ARG 209 Cb 0.65 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 1jhu h ARG 209 CO -0.02 0.00 -0.21 0.82 -1.07 0.00 0.00 179.97 179.50 1jhu h ILE 210 N 0.00 0.46 -0.82 2.04 1.08 -1.50 -2.45 117.51 116.32 1jhu h ILE 210 Ca 0.00 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.67 1jhu h ILE 210 Cb 0.28 0.46 -0.13 0.00 -3.07 0.00 0.00 36.82 34.36 1jhu h ILE 210 CO 0.00 0.00 0.20 0.44 -0.69 0.00 0.00 178.15 178.10 1jhu h ASP 211 N -0.21 -0.01 -0.67 1.72 3.45 -1.80 0.33 116.42 119.22 1jhu h ASP 211 Ca 0.13 0.18 -0.05 0.00 0.43 0.00 0.00 57.03 57.71 1jhu h ASP 211 Cb 0.41 0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 39.39 1jhu h ASP 211 CO -0.35 -0.10 0.22 -1.13 -1.57 0.00 0.00 179.24 176.31 1jhu h ASN 212 N 0.24 0.98 -0.84 6.45 -1.24 -1.71 -1.15 115.58 118.31 1jhu h ASN 212 Ca 0.49 -0.17 -0.02 0.00 0.71 0.00 0.00 56.30 57.31 1jhu h ASN 212 Cb 0.92 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.67 1jhu h ASN 212 CO -0.60 0.91 0.45 0.50 -1.29 0.00 0.00 177.43 177.41 1jhu h LYS 213 N 1.02 1.18 -0.53 6.67 3.64 -0.11 -1.18 116.57 127.25 1jhu h LYS 213 Ca 0.22 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1jhu h LYS 213 Cb 0.28 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1jhu h LYS 213 CO -0.01 0.88 0.23 0.28 -2.27 0.00 0.00 179.45 178.56 1jhu h VAL 214 N 1.18 1.21 -0.61 2.00 2.07 -0.43 -2.33 116.25 119.33 1jhu h VAL 214 Ca 0.29 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1jhu h VAL 214 Cb 0.05 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1jhu h VAL 214 CO -0.05 0.24 0.38 0.44 0.02 0.00 0.00 177.57 178.61 1jhu h ASP 215 N 0.72 0.72 -0.63 0.57 3.32 -0.85 -1.65 116.42 118.62 1jhu h ASP 215 Ca 0.18 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1jhu h ASP 215 Cb 0.16 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1jhu h ASP 215 CO -0.02 0.54 0.37 0.58 -1.72 0.00 0.00 179.24 179.00 1jhu h VAL 216 N 0.82 1.04 -0.28 -1.35 2.07 -1.00 0.32 116.25 117.88 1jhu h VAL 216 Ca 0.22 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1jhu h VAL 216 Cb -0.06 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1jhu h VAL 216 CO -0.04 0.13 0.16 0.58 0.02 0.00 0.00 177.57 178.42 1jhu h VAL 217 N 0.72 1.11 -0.53 2.57 2.07 -1.05 -0.08 116.25 121.06 1jhu h VAL 217 Ca 0.26 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1jhu h VAL 217 Cb 0.08 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1jhu h VAL 217 CO -0.13 0.11 0.34 0.03 0.02 0.00 0.00 177.57 177.94 1jhu h ARG 218 N 0.34 0.66 -0.66 1.57 3.08 -0.85 -2.25 114.38 116.27 1jhu h ARG 218 Ca 0.10 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1jhu h ARG 218 Cb 0.04 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1jhu h ARG 218 CO -0.02 0.43 0.44 0.00 -1.07 0.00 0.00 179.97 179.75 1jhu h ARG 219 N 0.67 0.87 -0.92 0.04 3.08 -0.60 0.67 114.38 118.19 1jhu h ARG 219 Ca 0.21 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.27 1jhu h ARG 219 Cb -0.03 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 29.76 1jhu h ARG 219 CO -0.07 0.57 0.58 0.00 -1.07 0.00 0.00 179.97 179.98 1jhu h ALA 220 N 1.24 1.27 0.02 0.04 0.00 -0.67 0.60 119.26 121.77 1jhu h ALA 220 Ca 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1jhu h ALA 220 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1jhu h ALA 220 CO -0.06 0.34 -0.01 0.82 0.00 0.00 0.00 179.25 180.34 1jhu h ILE 221 N 1.05 1.33 -0.14 0.00 2.04 -0.89 -2.05 117.51 118.84 1jhu h ILE 221 Ca 0.40 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 65.18 1jhu h ILE 221 Cb 0.18 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1jhu h ILE 221 CO -0.18 0.28 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 1jhu h ALA 222 N 0.44 0.12 -0.35 1.87 0.00 -0.57 0.36 119.26 121.13 1jhu h ALA 222 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jhu h ALA 222 Cb 0.48 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1jhu h ALA 222 CO 0.01 -0.46 0.14 0.82 0.00 0.00 0.00 179.25 179.76 1jhu h ILE 223 N 0.04 1.19 0.00 0.00 2.04 -0.96 -3.28 117.51 116.54 1jhu h ILE 223 Ca 0.07 -0.59 -0.19 0.00 1.00 0.00 0.00 64.86 65.14 1jhu h ILE 223 Cb 0.08 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1jhu h ILE 223 CO -0.12 0.21 -1.32 0.78 0.00 0.00 0.00 178.15 177.70 1jhu h ASN 224 N 0.42 0.00 -6.11 1.72 2.35 -1.25 -3.49 115.58 109.22 1jhu h ASN 224 Ca 0.12 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.45 1jhu h ASN 224 Cb 0.19 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.63 1jhu h ASN 224 CO -0.01 0.71 -0.87 0.00 -1.65 0.00 0.00 177.43 175.61 1jhu n GLN 225 N -3.01 -3.39 -2.00 0.81 1.13 0.13 -4.89 117.38 106.16 1jhu n GLN 225 Ca -0.09 0.57 -0.35 0.00 -1.94 0.00 0.00 57.00 55.20 1jhu n GLN 225 Cb 0.89 -4.87 0.03 0.00 0.11 0.00 0.00 30.24 26.40 1jhu n GLN 225 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1jhu s PRO 226 N -5.89 3.01 -0.36 -1.09 0.04 -1.26 -4.97 135.00 124.48 1jhu s PRO 226 Ca 0.18 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 1jhu s PRO 226 Cb -0.05 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1jhu s PRO 226 CO 0.83 -1.13 0.38 1.21 0.04 0.00 0.00 177.00 178.33 1jhu s ASN 227 N -1.96 6.18 0.62 6.66 2.47 -1.26 -4.94 114.94 122.71 1jhu s ASN 227 Ca 0.73 -0.34 0.35 0.00 0.42 0.00 0.00 52.86 54.02 1jhu s ASN 227 Cb -0.25 -2.20 2.06 0.00 -1.45 0.00 0.00 41.25 39.40 1jhu s ASN 227 CO 0.34 -0.40 2.30 -0.65 -3.72 0.00 0.00 177.10 174.97 1jhu h PRO 228 N 8.52 0.00 0.00 0.43 0.11 -1.93 0.10 132.00 139.23 1jhu h PRO 228 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1jhu h PRO 228 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jhu h PRO 228 CO 0.72 0.00 -0.13 0.54 -0.21 0.00 0.00 178.00 178.91 1jhu n ARG 229 N -3.56 0.12 -3.88 1.05 3.00 -1.26 -4.51 116.66 107.61 1jhu n ARG 229 Ca -0.03 0.08 -0.33 0.00 -0.01 0.00 0.00 57.85 57.56 1jhu n ARG 229 Cb 0.08 -1.62 -0.13 0.00 0.00 0.00 0.00 32.46 30.79 1jhu n ARG 229 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1jhu s ASP 230 N -3.63 4.88 0.39 0.55 -1.08 0.36 -4.94 116.67 113.19 1jhu s ASP 230 Ca 0.12 -2.45 0.09 0.00 -0.52 0.00 0.00 52.55 49.78 1jhu s ASP 230 Cb 0.16 -1.73 0.84 0.00 -1.46 0.00 0.00 42.92 40.74 1jhu s ASP 230 CO 0.59 -0.39 1.97 1.23 0.52 0.00 0.00 175.17 179.09 1jhu h GLY 231 N 7.36 0.83 1.36 2.66 0.00 -1.79 0.31 103.07 113.80 1jhu h GLY 231 Ca -0.07 -0.26 -0.18 0.00 0.00 0.00 0.00 47.33 46.83 1jhu h GLY 231 CO 0.64 0.18 -0.60 -2.22 0.00 0.00 0.00 176.54 174.54 1jhu h ILE 232 N 0.63 1.31 -0.62 2.60 2.04 -1.92 -1.27 117.51 120.28 1jhu h ILE 232 Ca 0.30 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 1jhu h ILE 232 Cb 0.36 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 1jhu h ILE 232 CO -0.10 0.58 0.33 -0.78 0.00 0.00 0.00 178.15 178.18 1jhu h ASP 233 N 0.50 0.79 -0.16 1.72 1.82 -1.32 -1.14 116.42 118.64 1jhu h ASP 233 Ca -0.00 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1jhu h ASP 233 Cb 1.17 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 1jhu h ASP 233 CO 0.12 0.67 0.01 0.58 -1.61 0.00 0.00 179.24 179.01 1jhu h VAL 234 N 0.85 1.24 -0.41 2.25 2.07 -0.93 -2.40 116.25 118.91 1jhu h VAL 234 Ca 0.22 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1jhu h VAL 234 Cb 0.06 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1jhu h VAL 234 CO -0.03 0.23 0.20 -0.07 0.02 0.00 0.00 177.57 177.91 1jhu h LEU 235 N 0.03 0.28 -1.06 2.57 3.38 -1.06 -1.34 115.31 118.11 1jhu h LEU 235 Ca 0.05 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1jhu h LEU 235 Cb 0.34 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1jhu h LEU 235 CO 0.01 0.20 -0.30 0.77 0.09 0.00 0.00 178.44 179.21 1jhu h SER 236 N 0.40 0.30 0.00 -0.43 4.64 -1.16 -1.02 113.55 116.29 1jhu h SER 236 Ca 0.18 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1jhu h SER 236 Cb 0.09 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1jhu h SER 236 CO -0.13 0.59 -0.01 0.11 -0.87 0.00 0.00 176.83 176.53 1jhu h LYS 237 N 0.26 0.00 -0.12 4.77 1.57 -1.19 -1.12 116.57 120.74 1jhu h LYS 237 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1jhu h LYS 237 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1jhu h LYS 237 CO 0.05 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.26 1jhu n VAL 238 N -4.42 1.72 -0.02 0.50 0.24 -0.53 -1.36 118.33 114.47 1jhu n VAL 238 Ca -0.00 -1.75 0.00 0.00 -2.04 0.00 0.00 64.34 60.55 1jhu n VAL 238 Cb 0.00 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 1jhu n VAL 238 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhu n GLY 239 N -0.74 1.67 3.69 7.63 0.00 -0.39 -4.55 105.19 112.51 1jhu n GLY 239 Ca 0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 1jhu n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jhu s GLY 240 N 0.00 -0.30 0.20 -0.02 0.00 -1.24 -4.78 107.32 101.18 1jhu s GLY 240 Ca 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 44.72 44.98 1jhu s GLY 240 CO 0.00 0.09 1.85 0.74 0.00 0.00 0.00 173.10 175.77 1jhu h PHE 241 N 2.00 0.91 -0.61 1.90 0.05 -1.89 0.42 116.94 119.72 1jhu h PHE 241 Ca -0.24 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.53 1jhu h PHE 241 Cb 1.23 -0.30 -0.03 0.00 2.00 0.00 0.00 35.95 38.85 1jhu h PHE 241 CO 0.35 0.60 0.28 0.38 -0.18 0.00 0.00 178.31 179.75 1jhu h ASP 242 N 0.96 0.81 -0.53 2.17 -0.00 -1.86 0.92 116.42 118.88 1jhu h ASP 242 Ca 0.25 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.03 57.12 1jhu h ASP 242 Cb -0.06 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.04 1jhu h ASP 242 CO -0.05 0.72 0.24 -0.07 -0.00 0.00 0.00 179.24 180.09 1jhu h LEU 243 N 0.84 0.70 -0.10 0.15 -0.00 -1.83 -1.47 115.31 113.60 1jhu h LEU 243 Ca 0.21 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1jhu h LEU 243 Cb 0.14 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.62 1jhu h LEU 243 CO -0.02 0.64 0.05 0.58 -0.00 0.00 0.00 178.44 179.69 1jhu h VAL 244 N 0.70 1.10 -0.92 1.22 2.07 -0.62 -2.61 116.25 117.19 1jhu h VAL 244 Ca 0.18 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1jhu h VAL 244 Cb 0.14 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1jhu h VAL 244 CO -0.02 0.09 0.60 1.23 0.02 0.00 0.00 177.57 179.49 1jhu h GLY 245 N 0.05 1.35 0.99 2.17 0.00 -0.52 -1.70 103.07 105.41 1jhu h GLY 245 Ca 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1jhu h GLY 245 CO -0.00 0.35 0.24 -0.33 0.00 0.00 0.00 176.54 176.79 1jhu h MET 246 N 1.11 0.88 -0.93 4.80 2.07 -1.15 -1.38 114.93 120.33 1jhu h MET 246 Ca 0.38 -0.16 0.02 0.00 -2.07 0.00 0.00 59.70 57.88 1jhu h MET 246 Cb 0.11 -0.14 -0.05 0.00 -1.87 0.00 0.00 31.60 29.65 1jhu h MET 246 CO -0.13 0.75 0.61 1.15 1.07 0.00 0.00 176.91 180.36 1jhu h THR 247 N 0.81 1.20 -0.65 2.22 2.02 -1.07 -2.26 112.91 115.18 1jhu h THR 247 Ca 0.20 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1jhu h THR 247 Cb 0.20 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 1jhu h THR 247 CO -0.02 0.22 0.38 1.23 0.37 0.00 0.00 175.52 177.70 1jhu h GLY 248 N 1.22 0.95 0.88 2.16 0.00 -0.63 0.20 103.07 107.84 1jhu h GLY 248 Ca 0.35 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1jhu h GLY 248 CO -0.10 0.38 0.01 -2.08 0.00 0.00 0.00 176.54 174.76 1jhu h VAL 249 N 0.90 1.25 -0.86 4.60 2.07 -0.81 -0.72 116.25 122.68 1jhu h VAL 249 Ca 0.23 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1jhu h VAL 249 Cb -0.01 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1jhu h VAL 249 CO -0.04 0.29 0.51 0.24 0.02 0.00 0.00 177.57 178.59 1jhu h MET 250 N 0.29 1.17 -0.48 1.57 2.86 -0.85 0.71 114.93 120.21 1jhu h MET 250 Ca 0.08 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1jhu h MET 250 Cb 0.41 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1jhu h MET 250 CO 0.01 0.83 -0.05 -0.07 1.06 0.00 0.00 176.91 178.69 1jhu h LEU 251 N 1.18 0.88 -0.32 1.22 3.38 -0.79 -2.29 115.31 118.56 1jhu h LEU 251 Ca 0.31 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1jhu h LEU 251 Cb -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1jhu h LEU 251 CO -0.06 1.00 -0.14 1.23 0.09 0.00 0.00 178.44 180.57 1jhu h GLY 252 N 0.73 0.72 1.00 0.83 0.00 -0.83 -1.47 103.07 104.05 1jhu h GLY 252 Ca 0.13 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1jhu h GLY 252 CO 0.04 0.58 0.36 0.00 0.00 0.00 0.00 176.54 177.51 1jhu h ALA 253 N 0.78 0.74 -0.49 3.60 0.00 -0.85 -0.60 119.26 122.43 1jhu h ALA 253 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jhu h ALA 253 Cb 0.66 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1jhu h ALA 253 CO 0.04 0.21 0.24 0.00 0.00 0.00 0.00 179.25 179.74 1jhu h ALA 254 N 1.19 0.63 -0.67 0.00 0.00 -1.33 0.34 119.26 119.41 1jhu h ALA 254 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1jhu h ALA 254 Cb -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1jhu h ALA 254 CO -0.04 0.19 0.34 -0.09 0.00 0.00 0.00 179.25 179.65 1jhu h ARG 255 N 0.65 0.93 -0.00 0.00 9.65 -1.04 0.24 114.38 124.81 1jhu h ARG 255 Ca 0.17 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1jhu h ARG 255 Cb 0.12 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1jhu h ARG 255 CO -0.02 0.70 0.00 0.00 2.80 0.00 0.00 179.97 183.45 1jhu n GLY 257 N 0.98 -0.24 3.45 0.00 0.00 0.07 -3.98 105.19 105.48 1jhu n GLY 257 Ca 0.23 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1jhu n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhu s LEU 258 N -4.81 2.56 0.34 0.99 1.43 0.11 -0.63 118.68 118.66 1jhu s LEU 258 Ca 0.13 -1.00 -0.26 0.00 -1.03 0.00 0.00 54.13 51.97 1jhu s LEU 258 Cb -0.06 -1.09 -0.10 0.00 0.03 0.00 0.00 46.19 44.97 1jhu s LEU 258 CO 0.16 0.05 0.95 -2.16 0.23 0.00 0.00 176.35 175.58 1jhu s PRO 259 N -3.35 4.53 -0.10 1.29 0.04 -1.26 -3.96 135.00 132.18 1jhu s PRO 259 Ca 0.28 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.66 1jhu s PRO 259 Cb -0.05 -2.74 0.02 0.00 0.04 0.00 0.00 34.50 31.76 1jhu s PRO 259 CO 0.14 0.23 -0.13 0.08 0.04 0.00 0.00 177.00 177.36 1jhu s VAL 260 N -1.65 1.31 -0.20 -0.36 1.01 -0.69 -1.70 120.40 118.11 1jhu s VAL 260 Ca 0.51 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 1jhu s VAL 260 Cb -0.18 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1jhu s VAL 260 CO 0.23 0.40 0.55 -0.76 0.00 0.00 0.00 175.10 175.53 1jhu s LEU 261 N 1.08 4.14 0.90 3.92 1.43 0.40 -0.88 118.68 129.67 1jhu s LEU 261 Ca -0.06 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 53.64 1jhu s LEU 261 Cb -0.15 -2.76 0.13 0.00 0.03 0.00 0.00 46.19 43.44 1jhu s LEU 261 CO -0.02 -0.21 1.11 -0.76 0.23 0.00 0.00 176.35 176.70 1jhu s LEU 262 N 1.72 2.14 0.00 1.79 1.02 0.17 -2.41 118.68 123.11 1jhu s LEU 262 Ca 0.25 1.23 0.00 0.00 0.02 0.00 0.00 54.13 55.64 1jhu s LEU 262 Cb -0.16 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.43 1jhu s LEU 262 CO 0.10 -2.55 0.00 -0.67 0.02 0.00 0.00 176.35 173.25 1jhu n ASP 263 N -3.80 0.00 0.00 2.29 2.03 -1.26 -3.82 116.55 112.00 1jhu n ASP 263 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1jhu n ASP 263 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1jhu n ASP 263 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jhu n GLY 264 N 5.00 4.17 0.33 0.27 0.00 -1.26 -4.32 105.19 109.38 1jhu n GLY 264 Ca 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.09 1jhu n GLY 264 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jhu h PHE 265 N 0.00 -0.78 -0.67 1.61 3.04 -1.95 0.12 116.94 118.32 1jhu h PHE 265 Ca 0.00 0.07 0.07 0.00 3.98 0.00 0.00 57.97 62.09 1jhu h PHE 265 Cb 0.00 0.44 -0.06 0.00 2.56 0.00 0.00 35.95 38.89 1jhu h PHE 265 CO 0.00 -0.36 0.36 -0.07 -2.02 0.00 0.00 178.31 176.21 1jhu h LEU 266 N -0.11 0.51 -0.99 0.59 -0.00 -1.96 -1.77 115.31 111.59 1jhu h LEU 266 Ca 0.27 0.04 -0.09 0.00 -0.00 0.00 0.00 57.88 58.10 1jhu h LEU 266 Cb 0.55 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 1jhu h LEU 266 CO -0.72 0.32 -0.25 0.77 -0.00 0.00 0.00 178.44 178.56 1jhu h SER 267 N 0.65 0.44 -0.79 -0.43 4.64 -1.22 -2.50 113.55 114.33 1jhu h SER 267 Ca 0.31 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1jhu h SER 267 Cb 0.24 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 1jhu h SER 267 CO -0.21 0.68 0.33 1.88 -0.87 0.00 0.00 176.83 178.65 1jhu h TYR 268 N 0.39 1.19 -0.45 4.77 0.99 -0.09 0.12 116.97 123.89 1jhu h TYR 268 Ca 0.06 -0.08 0.01 0.00 2.00 0.00 0.00 58.73 60.72 1jhu h TYR 268 Cb 0.64 -0.36 -0.02 0.00 1.00 0.00 0.00 36.73 37.99 1jhu h TYR 268 CO 0.02 0.89 0.29 0.77 -0.00 0.00 0.00 178.16 180.12 1jhu h SER 269 N 1.15 0.49 -0.35 3.88 0.02 -0.96 -0.29 113.55 117.48 1jhu h SER 269 Ca 0.27 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1jhu h SER 269 Cb 0.19 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1jhu h SER 269 CO -0.03 0.35 -0.03 0.00 -1.14 0.00 0.00 176.83 175.99 1jhu h ALA 270 N 1.17 1.12 -0.48 3.77 0.00 -1.24 -2.50 119.26 121.12 1jhu h ALA 270 Ca 0.17 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1jhu h ALA 270 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jhu h ALA 270 CO -0.05 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 179.70 1jhu h ALA 271 N 1.28 0.99 -0.42 0.00 0.00 -0.35 -0.89 119.26 119.87 1jhu h ALA 271 Ca 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jhu h ALA 271 Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jhu h ALA 271 CO 0.02 0.61 0.25 -0.07 0.00 0.00 0.00 179.25 180.06 1jhu h LEU 272 N 0.76 0.52 -0.42 0.00 3.38 -0.69 -1.30 115.31 117.56 1jhu h LEU 272 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jhu h LEU 272 Cb 0.55 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1jhu h LEU 272 CO 0.03 0.43 0.27 0.00 0.09 0.00 0.00 178.44 179.26 1jhu h ALA 273 N 1.11 0.53 -0.79 1.53 0.00 -1.21 -0.91 119.26 119.52 1jhu h ALA 273 Ca 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jhu h ALA 273 Cb 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1jhu h ALA 273 CO -0.03 -0.00 0.48 0.00 0.00 0.00 0.00 179.25 179.70 1jhu h ALA 274 N 1.14 1.00 0.00 0.00 0.00 -0.85 -0.05 119.26 120.50 1jhu h ALA 274 Ca 0.15 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1jhu h ALA 274 Cb -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1jhu h ALA 274 CO -0.03 0.46 -0.36 0.00 0.00 0.00 0.00 179.25 179.32 1jhu h GLN 276 N 0.00 0.76 -0.14 0.00 5.75 -0.34 -2.78 115.11 118.36 1jhu h GLN 276 Ca -0.00 -0.56 -0.20 0.00 -0.15 0.00 0.00 58.65 57.74 1jhu h GLN 276 Cb 0.86 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.50 1jhu h GLN 276 CO 0.05 1.18 -0.71 0.82 -2.65 0.00 0.00 178.83 177.51 1jhu h ILE 277 N 0.48 1.32 -1.56 2.39 2.04 -0.75 -3.43 117.51 118.01 1jhu h ILE 277 Ca -0.02 -2.00 -0.13 0.00 1.00 0.00 0.00 64.86 63.71 1jhu h ILE 277 Cb 1.25 1.98 -0.27 0.00 -0.74 0.00 0.00 36.82 39.04 1jhu h ILE 277 CO 0.13 0.62 -0.49 0.00 0.00 0.00 0.00 178.15 178.42 1jhu s ALA 278 N -3.75 -1.47 0.54 1.87 0.00 0.83 -5.01 121.76 114.77 1jhu s ALA 278 Ca -0.08 0.56 0.30 0.00 0.00 0.00 0.00 51.96 52.74 1jhu s ALA 278 Cb 0.10 -2.12 1.76 0.00 0.00 0.00 0.00 23.12 22.86 1jhu s ALA 278 CO 0.87 -1.68 2.21 -1.35 0.00 0.00 0.00 175.76 175.81 1jhu h PRO 279 N 8.13 0.00 0.00 0.00 0.11 -1.69 -1.32 132.00 137.22 1jhu h PRO 279 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1jhu h PRO 279 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jhu h PRO 279 CO 0.24 0.04 0.03 0.00 -0.21 0.00 0.00 178.00 178.10 1jhu n ALA 280 N -2.29 0.99 0.07 -0.75 0.00 -1.26 -1.76 120.51 115.50 1jhu n ALA 280 Ca -0.03 0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 1jhu n ALA 280 Cb 0.13 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 18.44 1jhu n ALA 280 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jhu h VAL 281 N 0.00 1.40 -0.99 0.00 2.07 -1.54 -3.38 116.25 113.80 1jhu h VAL 281 Ca 0.00 -2.11 0.13 0.00 0.82 0.00 0.00 66.70 65.53 1jhu h VAL 281 Cb 0.07 2.09 -0.14 0.00 -1.52 0.00 0.00 31.29 31.79 1jhu h VAL 281 CO 0.00 0.63 -0.47 -1.14 0.02 0.00 0.00 177.57 176.60 1jhu n ARG 282 N -3.83 -0.32 0.10 1.57 3.00 -0.72 -0.77 116.66 115.68 1jhu n ARG 282 Ca -0.03 1.51 0.07 0.00 -0.00 0.00 0.00 57.85 59.40 1jhu n ARG 282 Cb 0.67 -2.24 0.35 0.00 0.00 0.00 0.00 32.46 31.24 1jhu n ARG 282 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1jhu n PRO 283 N -5.37 0.08 0.07 -0.14 -0.05 -1.26 -1.67 135.00 126.66 1jhu n PRO 283 Ca 0.07 0.58 0.12 0.00 -0.05 0.00 0.00 63.50 64.21 1jhu n PRO 283 Cb 0.34 -1.77 0.06 0.00 -0.05 0.00 0.00 33.50 32.08 1jhu n PRO 283 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1jhu n TYR 284 N -1.94 0.65 -2.78 0.54 4.01 0.05 -4.92 117.16 112.76 1jhu n TYR 284 Ca -0.01 0.19 -0.39 0.00 -0.16 0.00 0.00 57.90 57.53 1jhu n TYR 284 Cb 0.02 -0.73 -0.06 0.00 -0.31 0.00 0.00 39.34 38.26 1jhu n TYR 284 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jhu s LEU 285 N -4.62 4.54 -0.08 7.72 1.43 -0.67 -1.70 118.68 125.29 1jhu s LEU 285 Ca 0.03 1.88 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 1jhu s LEU 285 Cb 0.12 -3.73 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1jhu s LEU 285 CO 0.77 0.08 -0.01 -0.63 0.23 0.00 0.00 176.35 176.80 1jhu s ILE 286 N -1.33 0.45 0.85 -0.59 1.01 -0.06 -4.93 121.20 116.60 1jhu s ILE 286 Ca 0.44 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 61.04 1jhu s ILE 286 Cb -0.23 -0.60 0.10 0.00 0.01 0.00 0.00 42.46 41.74 1jhu s ILE 286 CO 0.29 0.27 1.10 -2.16 0.00 0.00 0.00 174.94 174.43 1jhu s PRO 287 N 1.94 1.60 0.00 2.79 0.04 -1.26 -0.66 135.00 139.45 1jhu s PRO 287 Ca 0.05 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1jhu s PRO 287 Cb -0.12 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1jhu s PRO 287 CO -0.06 -2.07 0.00 -1.13 0.04 0.00 0.00 177.00 173.78 1jhu n SER 288 N -3.80 0.00 -4.59 6.66 3.41 -1.25 -4.63 113.62 109.41 1jhu n SER 288 Ca 0.08 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.42 1jhu n SER 288 Cb 0.54 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 1jhu n SER 288 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1jhu s HIS 289 N -0.06 2.45 -0.63 7.33 -3.43 -1.26 -1.74 115.29 117.95 1jhu s HIS 289 Ca 0.00 -0.67 -0.16 0.00 -0.80 0.00 0.00 55.06 53.44 1jhu s HIS 289 Cb 0.00 -1.67 0.15 0.00 -1.43 0.00 0.00 32.58 29.63 1jhu s HIS 289 CO 0.00 0.43 0.61 0.12 -2.00 0.00 0.00 174.74 173.90 1jhu s PHE 290 N -2.74 3.36 0.45 0.38 2.19 0.62 -4.81 117.98 117.42 1jhu s PHE 290 Ca 0.35 -1.44 -0.24 0.00 0.33 0.00 0.00 56.93 55.92 1jhu s PHE 290 Cb 0.09 -3.84 -0.09 0.00 -1.31 0.00 0.00 43.02 37.87 1jhu s PHE 290 CO 0.17 -1.05 1.22 0.45 1.83 0.00 0.00 175.22 177.84 1jhu n SER 291 N 5.06 2.24 -0.07 6.13 2.88 -1.26 -4.30 113.62 124.29 1jhu n SER 291 Ca -0.05 1.06 0.04 0.00 -1.33 0.00 0.00 58.87 58.59 1jhu n SER 291 Cb 0.42 -1.48 0.21 0.00 -0.75 0.00 0.00 64.21 62.61 1jhu n SER 291 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jhu n ALA 292 N -0.44 2.53 -1.98 -1.46 0.00 -0.29 -4.75 120.51 114.13 1jhu n ALA 292 Ca 0.08 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 1jhu n ALA 292 Cb 0.41 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1jhu n ALA 292 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jhu s GLU 293 N -1.96 4.57 0.28 0.00 2.56 -1.26 -4.94 118.70 117.96 1jhu s GLU 293 Ca 0.12 1.79 -0.02 0.00 0.00 0.00 0.00 54.97 56.87 1jhu s GLU 293 Cb 0.06 -3.24 0.60 0.00 2.00 0.00 0.00 34.13 33.55 1jhu s GLU 293 CO 0.09 0.06 1.62 -0.22 -0.56 0.00 0.00 175.26 176.25 1jhu h LYS 294 N 4.78 0.10 0.00 4.30 3.64 -1.88 -0.67 116.57 126.84 1jhu h LYS 294 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1jhu h LYS 294 Cb 1.21 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1jhu h LYS 294 CO 0.71 0.06 0.00 0.41 -2.27 0.00 0.00 179.45 178.37 1jhu n GLY 295 N -1.44 -0.85 0.29 5.01 0.00 -1.24 -4.31 105.19 102.66 1jhu n GLY 295 Ca 0.18 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1jhu n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhu h ALA 296 N 3.64 -0.35 -0.83 4.61 0.00 -1.41 -2.02 119.26 122.91 1jhu h ALA 296 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1jhu h ALA 296 Cb 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1jhu h ALA 296 CO 0.00 -0.76 0.45 0.07 0.00 0.00 0.00 179.25 179.01 1jhu h ARG 297 N -0.39 0.70 -0.07 0.00 0.11 -1.81 0.46 114.38 113.37 1jhu h ARG 297 Ca 0.07 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.09 1jhu h ARG 297 Cb 0.49 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 1jhu h ARG 297 CO -0.25 0.46 -0.04 0.82 0.10 0.00 0.00 179.97 181.06 1jhu h ILE 298 N 0.72 1.34 -0.85 0.08 2.04 -1.82 -1.46 117.51 117.55 1jhu h ILE 298 Ca 0.42 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1jhu h ILE 298 Cb 0.47 1.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.41 1jhu h ILE 298 CO -0.29 0.30 0.53 0.00 0.00 0.00 0.00 178.15 178.69 1jhu h ALA 299 N 0.61 1.16 -0.30 1.87 0.00 -0.99 -1.89 119.26 119.71 1jhu h ALA 299 Ca 0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1jhu h ALA 299 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jhu h ALA 299 CO 0.01 0.29 -0.25 -0.07 0.00 0.00 0.00 179.25 179.23 1jhu h LEU 300 N 0.98 0.60 -0.72 0.00 3.38 -0.86 -2.73 115.31 115.96 1jhu h LEU 300 Ca 0.37 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1jhu h LEU 300 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1jhu h LEU 300 CO -0.16 0.84 0.06 0.00 0.09 0.00 0.00 178.44 179.26 1jhu h ALA 301 N 1.21 0.93 0.00 1.53 0.00 -0.75 0.19 119.26 122.37 1jhu h ALA 301 Ca 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1jhu h ALA 301 Cb 0.71 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jhu h ALA 301 CO 0.05 0.65 -0.21 0.45 0.00 0.00 0.00 179.25 180.19 1jhu h HIS 302 N 0.97 0.00 -0.02 0.00 3.86 -1.15 -1.31 115.15 117.50 1jhu h HIS 302 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1jhu h HIS 302 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1jhu h HIS 302 CO 0.03 0.21 -0.19 1.28 0.86 0.00 0.00 177.93 180.12 1jhu n LEU 303 N -3.65 1.72 -3.78 2.43 4.77 -0.90 -4.94 117.00 112.64 1jhu n LEU 303 Ca -0.01 -0.57 -0.23 0.00 -0.03 0.00 0.00 56.01 55.17 1jhu n LEU 303 Cb 0.34 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1jhu n LEU 303 CO 0.33 0.30 -0.08 -1.20 -1.33 0.00 0.00 177.39 175.42 1jhu n SER 304 N 0.06 -1.47 -4.31 -1.43 7.64 -0.12 -4.97 113.62 109.02 1jhu n SER 304 Ca 0.14 -0.85 -0.28 0.00 1.01 0.00 0.00 58.87 58.88 1jhu n SER 304 Cb 0.42 -3.82 -0.14 0.00 -1.01 0.00 0.00 64.21 59.65 1jhu n SER 304 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1jhu s MET 305 N -6.18 1.61 -0.30 1.43 1.00 -0.23 -5.03 119.30 111.60 1jhu s MET 305 Ca 0.10 -1.06 0.02 0.00 0.00 0.00 0.00 55.69 54.75 1jhu s MET 305 Cb -0.05 -1.78 0.09 0.00 0.00 0.00 0.00 34.83 33.09 1jhu s MET 305 CO 0.83 0.46 0.04 -1.83 0.00 0.00 0.00 175.02 174.51 1jhu s GLU 306 N -1.27 1.29 0.80 2.03 1.03 -1.26 -4.62 118.70 116.71 1jhu s GLU 306 Ca 0.10 -1.39 -0.13 0.00 0.03 0.00 0.00 54.97 53.58 1jhu s GLU 306 Cb -0.10 -2.66 0.08 0.00 -0.80 0.00 0.00 34.13 30.66 1jhu s GLU 306 CO 0.02 -0.86 1.18 -2.14 -1.33 0.00 0.00 175.26 172.13 1jhu s PRO 307 N 1.25 1.71 0.04 -4.83 0.02 -1.26 -4.91 135.00 127.02 1jhu s PRO 307 Ca 0.06 1.65 -0.05 0.00 0.02 0.00 0.00 61.00 62.68 1jhu s PRO 307 Cb -0.18 -1.79 -0.29 0.00 0.02 0.00 0.00 34.50 32.25 1jhu s PRO 307 CO -0.13 -2.14 1.00 1.88 -0.33 0.00 0.00 177.00 177.28 1jhu h TYR 308 N -0.95 0.54 -3.26 6.54 0.05 -1.60 -3.47 116.97 114.82 1jhu h TYR 308 Ca -0.46 -0.40 -0.62 0.00 0.05 0.00 0.00 58.73 57.31 1jhu h TYR 308 Cb 1.28 -0.02 -0.15 0.00 1.01 0.00 0.00 36.73 38.85 1jhu h TYR 308 CO 0.49 1.36 -0.55 -0.51 -1.05 0.00 0.00 178.16 177.90 1jhu s LEU 309 N -7.14 3.89 -0.66 3.88 2.01 -0.71 -5.02 118.68 114.93 1jhu s LEU 309 Ca -0.07 0.12 -0.00 0.00 0.01 0.00 0.00 54.13 54.19 1jhu s LEU 309 Cb 0.07 -1.98 0.17 0.00 0.01 0.00 0.00 46.19 44.45 1jhu s LEU 309 CO 0.88 0.19 0.47 -1.00 1.01 0.00 0.00 176.35 177.89 1jhu s HIS 310 N 0.28 3.45 -0.80 0.29 3.76 -1.26 -0.27 115.29 120.74 1jhu s HIS 310 Ca 0.04 -2.97 0.06 0.00 -0.15 0.00 0.00 55.06 52.05 1jhu s HIS 310 Cb -0.12 -3.05 0.05 0.00 1.11 0.00 0.00 32.58 30.57 1jhu s HIS 310 CO -0.00 -0.76 0.71 -1.33 -0.85 0.00 0.00 174.74 172.51 1jhu n MET 311 N 2.98 -0.08 -2.81 1.40 2.81 -1.26 -4.98 117.12 115.18 1jhu n MET 311 Ca 0.11 -0.89 -0.21 0.00 -1.81 0.00 0.00 57.70 54.90 1jhu n MET 311 Cb 0.36 -1.12 0.01 0.00 -0.71 0.00 0.00 33.22 31.76 1jhu n MET 311 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jhu n ALA 312 N 0.36 -0.86 -1.94 3.04 0.00 -1.26 -4.96 120.51 114.89 1jhu n ALA 312 Ca 0.04 0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 1jhu n ALA 312 Cb 0.16 -3.09 -0.06 0.00 0.00 0.00 0.00 19.45 16.46 1jhu n ALA 312 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jhu s MET 313 N -5.47 4.12 -0.05 0.00 -1.94 -1.26 -4.58 119.30 110.12 1jhu s MET 313 Ca 0.19 0.94 0.04 0.00 -1.71 0.00 0.00 55.69 55.15 1jhu s MET 313 Cb -0.09 -2.26 0.09 0.00 2.01 0.00 0.00 34.83 34.58 1jhu s MET 313 CO 0.24 0.01 1.09 2.89 -0.01 0.00 0.00 175.02 179.23 1jhu n ARG 314 N -0.66 0.20 0.07 2.03 1.85 -1.26 -1.14 116.66 117.75 1jhu n ARG 314 Ca 0.06 -1.14 -0.22 0.00 -1.00 0.00 0.00 57.85 55.55 1jhu n ARG 314 Cb 0.54 0.42 -0.15 0.00 -1.05 0.00 0.00 32.46 32.22 1jhu n ARG 314 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1jhu h LEU 315 N 0.24 0.55 0.00 2.89 5.85 -1.98 -3.47 115.31 119.40 1jhu h LEU 315 Ca -0.52 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.28 1jhu h LEU 315 Cb 1.43 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1jhu h LEU 315 CO -0.24 1.55 0.00 0.61 -0.34 0.00 0.00 178.44 180.02 1jhu n GLY 316 N 1.71 -0.38 3.70 3.75 0.00 -1.26 -4.96 105.19 107.75 1jhu n GLY 316 Ca -0.18 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1jhu n GLY 316 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jhu n GLU 317 N 0.00 0.00 -0.44 1.61 1.02 -0.67 -1.79 120.64 120.38 1jhu n GLU 317 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jhu n GLU 317 Cb 0.00 -3.54 0.00 0.00 -0.02 0.00 0.00 31.44 27.88 1jhu n GLU 317 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jhu n GLY 318 N -2.00 0.77 0.36 0.62 0.00 -1.26 -4.36 105.19 99.31 1jhu n GLY 318 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 1jhu n GLY 318 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jhu h SER 319 N 0.00 1.10 -0.46 1.61 4.64 -1.69 -2.32 113.55 116.43 1jhu h SER 319 Ca 0.00 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.14 1jhu h SER 319 Cb 0.00 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 1jhu h SER 319 CO 0.00 0.84 -0.14 1.23 -0.87 0.00 0.00 176.83 177.90 1jhu h GLY 320 N 1.26 0.98 0.76 -0.77 0.00 -1.91 -2.11 103.07 101.28 1jhu h GLY 320 Ca 0.33 -0.83 0.03 0.00 0.00 0.00 0.00 47.33 46.86 1jhu h GLY 320 CO -0.06 0.76 0.17 0.00 0.00 0.00 0.00 176.54 177.40 1jhu h ALA 321 N 0.87 0.46 -0.84 3.60 0.00 -1.61 -1.59 119.26 120.15 1jhu h ALA 321 Ca 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jhu h ALA 321 Cb 0.69 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1jhu h ALA 321 CO 0.05 -0.21 0.40 0.00 0.00 0.00 0.00 179.25 179.49 1jhu h ALA 322 N 1.22 1.08 -0.28 0.00 0.00 -1.30 -2.43 119.26 117.55 1jhu h ALA 322 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1jhu h ALA 322 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1jhu h ALA 322 CO -0.14 0.64 0.03 1.25 0.00 0.00 0.00 179.25 181.04 1jhu h LEU 323 N 1.19 0.38 -0.00 0.00 5.85 -0.94 -2.82 115.31 118.97 1jhu h LEU 323 Ca 0.29 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1jhu h LEU 323 Cb 0.12 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1jhu h LEU 323 CO -0.04 0.42 -0.27 0.00 -0.34 0.00 0.00 178.44 178.22 1jhu n ALA 324 N -2.48 2.98 -0.32 1.25 0.00 -0.64 -4.19 120.51 117.12 1jhu n ALA 324 Ca 0.01 -0.23 0.07 0.00 0.00 0.00 0.00 53.44 53.29 1jhu n ALA 324 Cb 0.20 -1.28 0.23 0.00 0.00 0.00 0.00 19.45 18.60 1jhu n ALA 324 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1jhu h MET 325 N 0.00 0.72 0.00 0.00 2.86 -1.25 0.46 114.93 117.71 1jhu h MET 325 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1jhu h MET 325 Cb 0.50 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1jhu h MET 325 CO 0.00 0.47 -0.06 -1.35 1.06 0.00 0.00 176.91 177.03 1jhu h PRO 326 N 0.74 0.00 -0.49 -0.22 0.11 -1.78 -1.21 132.00 129.15 1jhu h PRO 326 Ca 0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.52 1jhu h PRO 326 Cb 0.62 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1jhu h PRO 326 CO -0.33 0.06 0.02 0.82 -0.21 0.00 0.00 178.00 178.36 1jhu h ILE 327 N 0.00 1.26 -0.14 4.15 2.04 -1.17 0.15 117.51 123.80 1jhu h ILE 327 Ca -0.00 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1jhu h ILE 327 Cb 0.13 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1jhu h ILE 327 CO 0.01 0.36 0.09 0.58 0.00 0.00 0.00 178.15 179.19 1jhu h VAL 328 N 0.71 1.06 -0.52 1.67 2.07 -1.05 -1.34 116.25 118.85 1jhu h VAL 328 Ca 0.14 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1jhu h VAL 328 Cb 0.48 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1jhu h VAL 328 CO 0.02 0.05 0.32 -0.33 0.02 0.00 0.00 177.57 177.66 1jhu h GLU 329 N 0.18 0.70 -0.53 1.57 5.08 -1.18 -2.30 114.58 118.10 1jhu h GLU 329 Ca 0.05 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1jhu h GLU 329 Cb 0.01 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1jhu h GLU 329 CO -0.01 0.48 0.30 0.00 -1.00 0.00 0.00 179.01 178.78 1jhu h ALA 330 N 1.64 0.68 -0.15 3.43 0.00 0.38 -1.28 119.26 123.97 1jhu h ALA 330 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jhu h ALA 330 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jhu h ALA 330 CO -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.21 1jhu h ALA 331 N 1.26 1.75 -0.08 0.00 0.00 -0.77 -0.38 119.26 121.03 1jhu h ALA 331 Ca 0.22 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1jhu h ALA 331 Cb 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jhu h ALA 331 CO -0.12 0.20 -0.44 0.00 0.00 0.00 0.00 179.25 178.88 1jhu h ALA 333 N 0.44 0.88 0.26 0.00 0.00 -0.87 0.48 119.26 120.45 1jhu h ALA 333 Ca -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jhu h ALA 333 Cb 1.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1jhu h ALA 333 CO 0.09 0.29 -0.22 1.98 0.00 0.00 0.00 179.25 181.40 1jhu h MET 334 N 0.93 -0.47 -0.73 0.00 1.85 -1.09 0.64 114.93 116.05 1jhu h MET 334 Ca 0.26 0.03 0.11 0.00 -0.61 0.00 0.00 59.70 59.49 1jhu h MET 334 Cb -0.09 0.11 -0.08 0.00 0.43 0.00 0.00 31.60 31.97 1jhu h MET 334 CO -0.06 -0.32 0.35 0.35 -0.40 0.00 0.00 176.91 176.84 1jhu h PHE 335 N -0.49 0.62 0.03 1.39 3.57 -0.91 -2.75 116.94 118.40 1jhu h PHE 335 Ca -0.01 0.03 -0.33 0.00 3.53 0.00 0.00 57.97 61.19 1jhu h PHE 335 Cb 0.44 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1jhu h PHE 335 CO -0.13 0.19 -1.91 0.72 -2.23 0.00 0.00 178.31 174.94 1jhu n HIS 336 N -4.89 0.89 0.83 0.41 8.25 0.12 -4.59 115.22 116.24 1jhu n HIS 336 Ca 0.12 0.27 0.08 0.00 -0.26 0.00 0.00 57.72 57.94 1jhu n HIS 336 Cb 0.32 -1.15 -0.08 0.00 1.12 0.00 0.00 29.99 30.20 1jhu n HIS 336 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jhu n ASN 337 N -3.14 1.04 -4.80 0.41 5.03 0.22 -4.97 115.26 109.05 1jhu n ASN 337 Ca -0.24 -1.02 -0.33 0.00 0.87 0.00 0.00 54.58 53.85 1jhu n ASN 337 Cb 1.06 0.89 -0.01 0.00 -1.02 0.00 0.00 39.78 40.69 1jhu n ASN 337 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1jhu s MET 338 N -2.54 3.55 1.00 3.52 -1.94 -1.04 -5.05 119.30 116.80 1jhu s MET 338 Ca 0.09 1.31 -0.17 0.00 -1.71 0.00 0.00 55.69 55.21 1jhu s MET 338 Cb 0.14 -2.06 0.23 0.00 2.01 0.00 0.00 34.83 35.15 1jhu s MET 338 CO 0.67 -0.63 1.32 0.41 -0.01 0.00 0.00 175.02 176.78 1jhu n GLY 339 N -0.54 -1.60 3.44 -0.03 0.00 -1.26 -4.88 105.19 100.32 1jhu n GLY 339 Ca 0.09 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1jhu n GLY 339 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jhu s GLU 340 N -5.89 2.05 0.17 1.61 2.02 -1.26 -0.74 118.70 116.66 1jhu s GLU 340 Ca 0.75 -0.99 -0.20 0.00 0.02 0.00 0.00 54.97 54.56 1jhu s GLU 340 Cb -0.02 -2.16 0.09 0.00 0.10 0.00 0.00 34.13 32.13 1jhu s GLU 340 CO 0.53 0.54 1.63 -0.07 0.02 0.00 0.00 175.26 177.91 1jhu h LEU 341 N 4.62 -0.75 -1.72 1.80 3.38 -1.14 -1.64 115.31 119.86 1jhu h LEU 341 Ca -0.47 0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.76 1jhu h LEU 341 Cb 1.15 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1jhu h LEU 341 CO 0.47 -0.25 0.37 0.00 0.09 0.00 0.00 178.44 179.12 1jhu h ALA 342 N 1.06 2.10 0.00 1.53 0.00 -1.79 0.11 119.26 122.27 1jhu h ALA 342 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jhu h ALA 342 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jhu h ALA 342 CO -0.48 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 178.54 1jhu h ALA 343 N 1.72 1.00 -0.39 0.00 0.00 -1.67 -2.20 119.26 117.73 1jhu h ALA 343 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jhu h ALA 343 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jhu h ALA 343 CO -0.06 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.62 1jhu n SER 344 N -2.79 3.04 -1.79 0.00 7.64 0.28 -4.94 113.62 115.06 1jhu n SER 344 Ca 0.01 -1.97 -0.20 0.00 1.01 0.00 0.00 58.87 57.72 1jhu n SER 344 Cb 0.28 -0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 1jhu n SER 344 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jhu n ASN 345 N 0.71 -5.55 -4.68 6.43 5.03 -0.83 -4.93 115.26 111.44 1jhu n ASN 345 Ca 0.13 0.34 -0.41 0.00 0.87 0.00 0.00 54.58 55.51 1jhu n ASN 345 Cb 0.45 -4.75 -0.04 0.00 -1.02 0.00 0.00 39.78 34.42 1jhu n ASN 345 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jhu s ILE 346 N -2.83 4.89 -0.18 2.41 1.01 -0.57 -4.99 121.20 120.94 1jhu s ILE 346 Ca 0.00 1.65 0.01 0.00 0.00 0.00 0.00 60.65 62.32 1jhu s ILE 346 Cb 0.00 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.35 1jhu s ILE 346 CO 0.00 0.05 -0.18 -0.69 0.00 0.00 0.00 174.94 174.12 1jhu s VAL 347 N 1.95 1.99 0.04 2.92 1.01 -1.26 -4.31 120.40 122.74 1jhu s VAL 347 Ca 0.39 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1jhu s VAL 347 Cb -0.17 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1jhu s VAL 347 CO 0.14 0.47 -0.03 -0.76 0.00 0.00 0.00 175.10 174.92 1jhu s LEU 348 N 1.31 3.33 0.00 3.92 1.43 -1.26 -5.22 118.68 122.18 1jhu s LEU 348 Ca 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1jhu s LEU 348 Cb -0.14 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1jhu s LEU 348 CO -0.12 0.24 0.38 -2.65 0.23 0.00 0.00 176.35 174.43