#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hy6 h ALA 2 N 0.00 0.79 0.07 3.04 0.00 -2.05 -0.85 119.26 120.25 3hy6 h ALA 2 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3hy6 h ALA 2 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hy6 h ALA 2 CO 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 179.25 179.76 3hy6 h ALA 3 N 0.98 -0.23 -0.83 0.00 0.00 -2.03 -2.10 119.26 115.06 3hy6 h ALA 3 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hy6 h ALA 3 Cb 0.79 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3hy6 h ALA 3 CO 0.07 -0.66 0.47 0.00 0.00 0.00 0.00 179.25 179.13 3hy6 h ALA 4 N 0.60 1.27 -0.23 0.00 0.00 -1.98 -1.87 119.26 117.06 3hy6 h ALA 4 Ca 0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3hy6 h ALA 4 Cb 0.31 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hy6 h ALA 4 CO -0.09 0.60 -0.22 0.00 0.00 0.00 0.00 179.25 179.53 3hy6 h ALA 5 N 1.37 1.19 -0.04 0.00 0.00 -0.98 -0.54 119.26 120.25 3hy6 h ALA 5 Ca 0.29 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hy6 h ALA 5 Cb -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hy6 h ALA 5 CO -0.05 0.52 0.02 0.28 0.00 0.00 0.00 179.25 180.02 3hy6 h VAL 6 N 0.38 1.13 -0.75 0.00 2.07 -1.03 -2.57 116.25 115.49 3hy6 h VAL 6 Ca 0.06 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3hy6 h VAL 6 Cb 0.61 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3hy6 h VAL 6 CO 0.04 0.10 0.49 0.28 0.02 0.00 0.00 177.57 178.51 3hy6 h SER 7 N -0.09 0.82 -0.25 0.57 0.02 -0.84 -1.05 113.55 112.72 3hy6 h SER 7 Ca 0.01 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3hy6 h SER 7 Cb 0.15 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3hy6 h SER 7 CO -0.00 0.58 0.04 -1.28 -1.14 0.00 0.00 176.83 175.03 3hy6 h SER 8 N 0.96 0.40 -0.85 3.07 0.87 -1.07 -0.02 113.55 116.92 3hy6 h SER 8 Ca 0.29 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3hy6 h SER 8 Cb -0.03 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 3hy6 h SER 8 CO -0.07 0.56 0.51 0.00 -0.53 0.00 0.00 176.83 177.30 3hy6 h ALA 9 N 0.86 1.08 -0.28 6.23 0.00 -1.12 0.50 119.26 126.53 3hy6 h ALA 9 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hy6 h ALA 9 Cb 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hy6 h ALA 9 CO 0.00 0.54 0.04 0.87 0.00 0.00 0.00 179.25 180.71 3hy6 h LYS 10 N 1.16 0.46 -0.47 0.00 1.57 -1.03 -0.93 116.57 117.32 3hy6 h LYS 10 Ca 0.30 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3hy6 h LYS 10 Cb -0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3hy6 h LYS 10 CO -0.06 0.58 0.31 -0.09 -0.57 0.00 0.00 179.45 179.62 3hy6 h ARG 11 N 0.28 0.62 -0.75 3.15 2.43 -0.78 -0.20 114.38 119.13 3hy6 h ARG 11 Ca 0.08 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3hy6 h ARG 11 Cb 0.34 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3hy6 h ARG 11 CO 0.01 0.41 0.30 0.77 -1.51 0.00 0.00 179.97 179.95 3hy6 h SER 12 N 0.64 1.04 -0.29 -3.80 0.02 -0.77 -2.45 113.55 107.95 3hy6 h SER 12 Ca 0.18 -0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3hy6 h SER 12 Cb -0.07 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 3hy6 h SER 12 CO -0.04 0.93 -0.38 0.25 -1.14 0.00 0.00 176.83 176.45 3hy6 h LEU 13 N 1.08 0.88 -0.57 5.07 5.85 -0.93 -2.32 115.31 124.38 3hy6 h LEU 13 Ca 0.25 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3hy6 h LEU 13 Cb 0.21 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3hy6 h LEU 13 CO -0.02 1.16 0.28 0.03 -0.34 0.00 0.00 178.44 179.55 3hy6 h ARG 14 N 0.68 0.51 -0.53 1.25 3.08 -0.76 0.36 114.38 118.97 3hy6 h ARG 14 Ca 0.06 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3hy6 h ARG 14 Cb 0.94 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 3hy6 h ARG 14 CO 0.09 0.34 0.16 0.78 -1.07 0.00 0.00 179.97 180.27 3hy6 h GLY 15 N 0.53 0.89 0.94 0.04 0.00 -1.37 0.43 103.07 104.53 3hy6 h GLY 15 Ca 0.26 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3hy6 h GLY 15 CO -0.20 0.50 0.16 -2.09 0.00 0.00 0.00 176.54 174.91 3hy6 h GLU 16 N 0.73 0.58 -0.49 4.80 4.81 -1.11 -2.02 114.58 121.89 3hy6 h GLU 16 Ca 0.17 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 3hy6 h GLU 16 Cb 0.28 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3hy6 h GLU 16 CO -0.00 0.55 0.07 -0.07 -0.73 0.00 0.00 179.01 178.82 3hy6 h LEU 17 N 0.49 0.78 -1.24 1.64 3.38 -0.04 -2.96 115.31 117.35 3hy6 h LEU 17 Ca 0.13 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3hy6 h LEU 17 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hy6 h LEU 17 CO -0.01 0.85 -0.09 0.11 0.09 0.00 0.00 178.44 179.39 3hy6 h LYS 18 N 0.69 0.41 0.00 1.13 1.57 -0.05 -1.99 116.57 118.33 3hy6 h LYS 18 Ca 0.15 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hy6 h LYS 18 Cb 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3hy6 h LYS 18 CO 0.01 0.51 -0.00 1.96 -0.57 0.00 0.00 179.45 181.36 3hy6 h GLN 19 N 0.38 -0.00 -0.69 3.15 1.08 -1.31 0.23 115.11 117.95 3hy6 h GLN 19 Ca 0.08 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.36 3hy6 h GLN 19 Cb 0.40 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.77 3hy6 h GLN 19 CO 0.02 0.11 0.35 0.00 -0.95 0.00 0.00 178.83 178.36 3hy6 h ARG 20 N -0.12 0.60 -0.15 1.46 3.08 -1.35 -1.52 114.38 116.38 3hy6 h ARG 20 Ca -0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3hy6 h ARG 20 Cb 0.11 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3hy6 h ARG 20 CO 0.00 0.40 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.11 3hy6 h LEU 21 N 0.62 0.36 -1.94 3.04 3.38 -1.22 -2.77 115.31 116.78 3hy6 h LEU 21 Ca 0.33 -0.45 0.12 0.00 0.09 0.00 0.00 57.88 57.96 3hy6 h LEU 21 Cb 0.32 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3hy6 h LEU 21 CO -0.25 0.74 0.31 0.03 0.09 0.00 0.00 178.44 179.37 3hy6 h ARG 22 N -0.01 0.07 -0.01 1.13 3.08 -0.77 -2.61 114.38 115.26 3hy6 h ARG 22 Ca 0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hy6 h ARG 22 Cb 0.63 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3hy6 h ARG 22 CO 0.03 0.05 -0.00 0.00 -1.07 0.00 0.00 179.97 178.97 3hy6 n ALA 23 N -2.60 2.64 -2.01 0.04 0.00 -0.59 -4.86 120.51 113.14 3hy6 n ALA 23 Ca 0.07 -0.31 -0.39 0.00 0.00 0.00 0.00 53.44 52.81 3hy6 n ALA 23 Cb 0.47 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 3hy6 n ALA 23 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3hy6 s MET 24 N -2.02 4.52 0.59 0.00 1.00 -0.99 -5.06 119.30 117.35 3hy6 s MET 24 Ca 0.43 1.11 -0.17 0.00 0.00 0.00 0.00 55.69 57.05 3hy6 s MET 24 Cb 0.21 -3.22 -0.03 0.00 0.00 0.00 0.00 34.83 31.79 3hy6 s MET 24 CO 0.36 0.56 1.11 -1.54 0.00 0.00 0.00 175.02 175.51 3hy6 s SER 25 N -1.20 5.48 0.45 3.03 1.04 -1.26 -4.93 113.70 116.31 3hy6 s SER 25 Ca 0.36 2.08 0.12 0.00 0.48 0.00 0.00 55.95 58.98 3hy6 s SER 25 Cb -0.22 -2.57 1.01 0.00 0.10 0.00 0.00 66.02 64.34 3hy6 s SER 25 CO 0.25 -1.38 2.05 0.00 0.98 0.00 0.00 173.24 175.15 3hy6 h ALA 26 N 0.68 1.77 0.00 5.32 0.00 -1.98 -2.20 119.26 122.85 3hy6 h ALA 26 Ca -0.48 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 3hy6 h ALA 26 Cb 1.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3hy6 h ALA 26 CO 0.56 0.19 -0.75 1.05 0.00 0.00 0.00 179.25 180.29 3hy6 h GLU 27 N 0.22 0.00 -0.08 0.00 4.11 -1.99 -2.67 114.58 114.17 3hy6 h GLU 27 Ca 0.05 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.28 3hy6 h GLU 27 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3hy6 h GLU 27 CO -0.00 0.40 -0.79 1.49 0.07 0.00 0.00 179.01 180.18 3hy6 h GLU 28 N 0.00 0.50 -0.22 1.06 4.57 -1.88 -2.36 114.58 116.25 3hy6 h GLU 28 Ca -0.05 -0.43 -0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3hy6 h GLU 28 Cb 1.40 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 30.08 3hy6 h GLU 28 CO 0.05 1.07 0.13 0.00 -1.18 0.00 0.00 179.01 179.08 3hy6 h ARG 29 N 0.33 0.30 -0.00 1.92 3.08 -1.39 -2.45 114.38 116.17 3hy6 h ARG 29 Ca -0.05 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3hy6 h ARG 29 Cb 1.39 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 3hy6 h ARG 29 CO 0.14 0.26 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.16 3hy6 h LEU 30 N 0.27 0.00 0.15 3.04 3.38 -1.51 -2.09 115.31 118.55 3hy6 h LEU 30 Ca 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hy6 h LEU 30 Cb 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hy6 h LEU 30 CO -0.01 0.07 -0.07 -0.09 0.09 0.00 0.00 178.44 178.43 3hy6 h ARG 31 N 0.00 -0.19 0.00 1.13 2.43 -1.09 -2.01 114.38 114.65 3hy6 h ARG 31 Ca 0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3hy6 h ARG 31 Cb 0.12 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3hy6 h ARG 31 CO 0.01 0.26 -0.16 1.96 -1.51 0.00 0.00 179.97 180.52 3hy6 h GLN 32 N -0.77 0.00 -0.38 0.20 4.20 -1.45 -1.82 115.11 115.09 3hy6 h GLN 32 Ca -0.02 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 3hy6 h GLN 32 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3hy6 h GLN 32 CO 0.03 0.16 -0.22 0.77 -0.67 0.00 0.00 178.83 178.90 3hy6 h SER 33 N 0.00 0.86 -0.42 1.46 0.02 -1.34 -0.28 113.55 113.85 3hy6 h SER 33 Ca -0.00 -0.42 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 3hy6 h SER 33 Cb 0.35 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3hy6 h SER 33 CO 0.02 1.09 0.00 0.03 -1.14 0.00 0.00 176.83 176.84 3hy6 h ARG 34 N 0.62 0.81 -0.45 3.45 3.08 -0.94 0.12 114.38 121.07 3hy6 h ARG 34 Ca 0.08 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3hy6 h ARG 34 Cb 0.79 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3hy6 h ARG 34 CO 0.06 0.82 0.02 0.28 -1.07 0.00 0.00 179.97 180.08 3hy6 h VAL 35 N 0.76 1.26 -0.40 2.04 2.07 -1.09 -2.72 116.25 118.16 3hy6 h VAL 35 Ca 0.15 -1.02 -0.15 0.00 0.82 0.00 0.00 66.70 66.50 3hy6 h VAL 35 Cb 0.45 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3hy6 h VAL 35 CO 0.02 0.35 -0.33 -0.07 0.02 0.00 0.00 177.57 177.57 3hy6 h LEU 36 N 0.64 0.99 -0.24 2.57 4.07 -0.94 -2.27 115.31 120.13 3hy6 h LEU 36 Ca 0.13 -0.45 0.06 0.00 0.08 0.00 0.00 57.88 57.71 3hy6 h LEU 36 Cb 0.47 -0.28 -0.07 0.00 1.08 0.00 0.00 40.66 41.87 3hy6 h LEU 36 CO 0.02 1.23 -0.20 0.28 -1.08 0.00 0.00 178.44 178.68 3hy6 h SER 37 N 0.76 -0.66 -0.83 -0.43 0.02 -0.95 0.25 113.55 111.72 3hy6 h SER 37 Ca 0.07 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3hy6 h SER 37 Cb 0.92 0.32 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 3hy6 h SER 37 CO 0.09 -0.24 0.45 1.56 -1.14 0.00 0.00 176.83 177.54 3hy6 h GLN 38 N -0.20 1.16 -0.57 3.45 1.08 -1.49 -0.92 115.11 117.62 3hy6 h GLN 38 Ca 0.14 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3hy6 h GLN 38 Cb 0.41 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 3hy6 h GLN 38 CO -0.36 0.86 0.28 0.87 -0.95 0.00 0.00 178.83 179.53 3hy6 h LYS 39 N 1.15 0.80 -0.18 1.46 1.57 -0.85 -2.51 116.57 118.01 3hy6 h LYS 39 Ca 0.29 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.82 3hy6 h LYS 39 Cb 0.04 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3hy6 h LYS 39 CO -0.05 0.61 -0.51 0.28 -0.57 0.00 0.00 179.45 179.22 3hy6 h VAL 40 N 0.80 1.32 -0.04 0.50 2.07 0.06 -2.80 116.25 118.16 3hy6 h VAL 40 Ca 0.20 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 3hy6 h VAL 40 Cb 0.07 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3hy6 h VAL 40 CO -0.03 0.54 -0.20 0.40 0.02 0.00 0.00 177.57 178.31 3hy6 h ILE 41 N 0.34 1.17 0.00 4.57 1.08 -1.06 -0.70 117.51 122.90 3hy6 h ILE 41 Ca -0.01 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3hy6 h ILE 41 Cb 1.13 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 3hy6 h ILE 41 CO 0.11 0.23 -0.12 0.00 -0.69 0.00 0.00 178.15 177.68 3hy6 n ALA 42 N -2.50 2.61 -2.39 1.87 0.00 -0.96 -4.75 120.51 114.40 3hy6 n ALA 42 Ca -0.02 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 3hy6 n ALA 42 Cb 0.28 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 3hy6 n ALA 42 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hy6 s HIS 43 N -3.00 3.61 0.25 0.00 5.04 -0.27 -4.95 115.29 115.97 3hy6 s HIS 43 Ca 0.13 1.59 -0.01 0.00 -1.54 0.00 0.00 55.06 55.22 3hy6 s HIS 43 Cb 0.19 -3.23 0.30 0.00 0.04 0.00 0.00 32.58 29.88 3hy6 s HIS 43 CO 0.57 -0.46 1.70 0.66 -2.34 0.00 0.00 174.74 174.87 3hy6 h SER 44 N 6.15 0.68 0.16 9.88 4.64 -1.91 -1.34 113.55 131.81 3hy6 h SER 44 Ca -0.42 -0.22 -0.13 0.00 -0.47 0.00 0.00 61.79 60.55 3hy6 h SER 44 Cb 1.21 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3hy6 h SER 44 CO 0.75 0.86 -0.47 -0.33 -0.87 0.00 0.00 176.83 176.77 3hy6 h GLU 45 N 0.61 0.37 -0.10 4.77 4.39 -1.94 -2.38 114.58 120.29 3hy6 h GLU 45 Ca 0.10 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3hy6 h GLU 45 Cb 0.63 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3hy6 h GLU 45 CO 0.04 0.76 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.72 3hy6 h TYR 46 N 0.30 0.21 -0.39 4.33 3.20 -1.80 -2.37 116.97 120.45 3hy6 h TYR 46 Ca 0.02 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 3hy6 h TYR 46 Cb 0.94 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 3hy6 h TYR 46 CO 0.03 0.49 0.18 1.96 -1.64 0.00 0.00 178.16 179.18 3hy6 h GLN 47 N -0.13 0.54 0.00 1.82 1.08 -1.21 -2.72 115.11 114.49 3hy6 h GLN 47 Ca 0.03 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 3hy6 h GLN 47 Cb 0.42 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 3hy6 h GLN 47 CO 0.01 0.43 -0.48 0.87 -0.95 0.00 0.00 178.83 178.71 3hy6 h LYS 48 N 0.54 0.00 -6.72 1.46 1.57 -1.46 -3.46 116.57 108.51 3hy6 h LYS 48 Ca 0.14 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.40 3hy6 h LYS 48 Cb 0.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.41 3hy6 h LYS 48 CO -0.02 0.33 0.54 -1.54 -0.57 0.00 0.00 179.45 178.19 3hy6 s SER 49 N -6.27 7.11 -0.17 0.86 1.04 -0.90 -4.95 113.70 110.42 3hy6 s SER 49 Ca 0.04 2.28 0.10 0.00 0.48 0.00 0.00 55.95 58.84 3hy6 s SER 49 Cb 0.07 -2.62 -0.18 0.00 0.10 0.00 0.00 66.02 63.40 3hy6 s SER 49 CO 0.73 -0.32 -0.03 0.29 0.98 0.00 0.00 173.24 174.90 3hy6 n LYS 50 N 2.02 1.08 -4.08 4.02 5.02 -1.26 -4.94 118.16 120.03 3hy6 n LYS 50 Ca 0.02 0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 56.02 3hy6 n LYS 50 Cb 0.44 -1.41 -0.15 0.00 -0.02 0.00 0.00 35.03 33.89 3hy6 n LYS 50 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hy6 s ARG 51 N -2.40 2.85 -0.02 1.97 0.52 -1.26 -0.44 118.95 120.17 3hy6 s ARG 51 Ca -0.15 -0.94 0.05 0.00 -0.52 0.00 0.00 55.73 54.18 3hy6 s ARG 51 Cb 0.06 -2.71 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 3hy6 s ARG 51 CO 0.59 -0.30 -0.18 -1.50 0.02 0.00 0.00 175.30 173.93 3hy6 s ILE 52 N 1.27 1.41 -0.22 1.52 2.07 0.63 -1.32 121.20 126.56 3hy6 s ILE 52 Ca 0.02 -0.76 -0.06 0.00 -1.41 0.00 0.00 60.65 58.43 3hy6 s ILE 52 Cb -0.15 -1.18 -0.03 0.00 0.13 0.00 0.00 42.46 41.24 3hy6 s ILE 52 CO -0.10 0.40 0.03 -0.55 -1.91 0.00 0.00 174.94 172.81 3hy6 s SER 53 N -0.40 4.99 0.05 4.50 0.15 -0.41 0.05 113.70 122.63 3hy6 s SER 53 Ca 0.06 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.57 3hy6 s SER 53 Cb -0.07 -1.87 -0.02 0.00 -1.71 0.00 0.00 66.02 62.35 3hy6 s SER 53 CO -0.01 0.03 -0.13 -0.51 1.20 0.00 0.00 173.24 173.83 3hy6 s ILE 54 N 1.21 1.02 0.31 6.45 2.07 -0.63 -1.08 121.20 130.54 3hy6 s ILE 54 Ca 0.04 -1.06 -0.08 0.00 -1.41 0.00 0.00 60.65 58.13 3hy6 s ILE 54 Cb -0.14 -0.95 -0.06 0.00 0.13 0.00 0.00 42.46 41.43 3hy6 s ILE 54 CO 0.02 -0.10 0.63 0.72 -1.91 0.00 0.00 174.94 174.30 3hy6 s PHE 55 N -1.00 3.45 -0.20 3.50 -0.12 -1.26 -4.25 117.98 118.11 3hy6 s PHE 55 Ca -0.01 0.86 -0.16 0.00 -0.05 0.00 0.00 56.93 57.57 3hy6 s PHE 55 Cb -0.08 -2.27 -0.04 0.00 -0.63 0.00 0.00 43.02 40.00 3hy6 s PHE 55 CO 0.01 0.11 0.42 -0.51 -0.05 0.00 0.00 175.22 175.20 3hy6 s LEU 56 N -3.42 4.16 0.12 -1.99 1.43 -1.26 -4.75 118.68 112.97 3hy6 s LEU 56 Ca 0.48 0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 53.82 3hy6 s LEU 56 Cb -0.11 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 43.50 3hy6 s LEU 56 CO 0.27 -0.09 1.19 -0.44 0.23 0.00 0.00 176.35 177.52 3hy6 s SER 57 N 1.04 7.09 0.80 2.29 0.01 -1.26 -4.98 113.70 118.69 3hy6 s SER 57 Ca 0.20 2.11 -0.10 0.00 1.31 0.00 0.00 55.95 59.47 3hy6 s SER 57 Cb -0.15 -2.59 0.10 0.00 0.21 0.00 0.00 66.02 63.59 3hy6 s SER 57 CO 0.08 -0.41 1.14 -0.04 0.41 0.00 0.00 173.24 174.42 3hy6 s MET 58 N 0.43 1.72 0.55 12.44 -1.94 -1.26 -4.97 119.30 126.27 3hy6 s MET 58 Ca 0.56 -0.24 0.33 0.00 -1.71 0.00 0.00 55.69 54.63 3hy6 s MET 58 Cb -0.31 -2.04 1.42 0.00 2.01 0.00 0.00 34.83 35.92 3hy6 s MET 58 CO 0.32 -1.64 2.01 1.96 -0.01 0.00 0.00 175.02 177.66 3hy6 h GLN 59 N -0.98 0.00 -0.52 2.03 1.08 -1.96 -1.85 115.11 112.90 3hy6 h GLN 59 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 3hy6 h GLN 59 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 3hy6 h GLN 59 CO 0.55 0.03 0.00 -0.40 -0.95 0.00 0.00 178.83 178.07 3hy6 n ASP 60 N -3.15 5.37 -4.31 1.46 5.75 -1.26 -4.97 116.55 115.44 3hy6 n ASP 60 Ca 0.00 -2.94 -0.27 0.00 -0.01 0.00 0.00 54.79 51.57 3hy6 n ASP 60 Cb 0.29 -0.66 -0.14 0.00 -1.03 0.00 0.00 41.12 39.59 3hy6 n ASP 60 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3hy6 s GLU 61 N -2.76 1.40 -0.01 0.11 2.02 -0.70 -5.03 118.70 113.74 3hy6 s GLU 61 Ca 0.52 -1.14 -0.39 0.00 0.02 0.00 0.00 54.97 53.98 3hy6 s GLU 61 Cb 0.40 -1.67 -0.19 0.00 0.10 0.00 0.00 34.13 32.77 3hy6 s GLU 61 CO 0.15 0.41 1.19 -0.89 0.02 0.00 0.00 175.26 176.14 3hy6 n ILE 62 N 1.40 0.01 -2.50 -1.63 2.08 -1.26 -4.72 119.36 112.73 3hy6 n ILE 62 Ca -0.18 -0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.71 3hy6 n ILE 62 Cb 0.53 -0.29 -0.03 0.00 -0.75 0.00 0.00 39.64 39.10 3hy6 n ILE 62 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3hy6 s GLU 63 N 0.37 4.35 0.00 0.38 2.56 -1.26 -4.74 118.70 120.37 3hy6 s GLU 63 Ca 0.90 1.62 0.24 0.00 0.00 0.00 0.00 54.97 57.73 3hy6 s GLU 63 Cb -1.18 -3.57 0.25 0.00 2.00 0.00 0.00 34.13 31.63 3hy6 s GLU 63 CO 0.55 -0.45 1.29 0.25 -0.56 0.00 0.00 175.26 176.35 3hy6 n THR 64 N 4.68 0.00 -0.20 -1.70 -2.24 -1.26 -4.63 114.28 108.93 3hy6 n THR 64 Ca 0.11 -0.47 0.01 0.00 -2.27 0.00 0.00 64.05 61.43 3hy6 n THR 64 Cb 0.46 1.41 0.10 0.00 -2.10 0.00 0.00 70.33 70.20 3hy6 n THR 64 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3hy6 h GLU 65 N 4.42 0.13 -0.18 -0.78 4.81 -1.92 -0.38 114.58 120.69 3hy6 h GLU 65 Ca 0.00 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 3hy6 h GLU 65 Cb 0.95 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3hy6 h GLU 65 CO 0.00 0.09 -0.46 1.49 -0.73 0.00 0.00 179.01 179.40 3hy6 h GLU 66 N 0.14 0.46 -0.04 1.92 4.81 -1.97 -2.31 114.58 117.59 3hy6 h GLU 66 Ca 0.32 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3hy6 h GLU 66 Cb 0.51 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 3hy6 h GLU 66 CO -0.50 0.83 0.02 0.82 -0.73 0.00 0.00 179.01 179.45 3hy6 h ILE 67 N 0.37 1.01 -0.74 2.32 2.04 -1.61 -2.20 117.51 118.69 3hy6 h ILE 67 Ca 0.02 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 65.97 3hy6 h ILE 67 Cb 0.95 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 3hy6 h ILE 67 CO 0.08 0.01 0.37 0.40 0.00 0.00 0.00 178.15 179.01 3hy6 h ILE 68 N 0.05 0.83 -0.38 -0.67 2.04 -0.93 0.20 117.51 118.64 3hy6 h ILE 68 Ca 0.02 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3hy6 h ILE 68 Cb -0.00 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3hy6 h ILE 68 CO -0.01 0.11 0.25 0.11 0.00 0.00 0.00 178.15 178.62 3hy6 h LYS 69 N 0.61 0.50 -0.49 2.37 1.57 -1.30 -2.69 116.57 117.15 3hy6 h LYS 69 Ca 0.37 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 3hy6 h LYS 69 Cb 0.42 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3hy6 h LYS 69 CO -0.29 0.33 0.27 0.22 -0.57 0.00 0.00 179.45 179.42 3hy6 h ASP 70 N 0.52 0.61 -0.64 0.86 3.58 -0.63 -2.05 116.42 118.67 3hy6 h ASP 70 Ca 0.14 -0.09 0.13 0.00 0.42 0.00 0.00 57.03 57.63 3hy6 h ASP 70 Cb -0.06 -0.16 -0.12 0.00 1.72 0.00 0.00 39.33 40.71 3hy6 h ASP 70 CO -0.03 0.53 -0.13 0.40 -2.88 0.00 0.00 179.24 177.13 3hy6 h ILE 71 N 0.66 0.37 0.00 2.25 2.04 -0.44 -1.30 117.51 121.08 3hy6 h ILE 71 Ca 0.17 -0.01 -0.15 0.00 1.00 0.00 0.00 64.86 65.87 3hy6 h ILE 71 Cb 0.04 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3hy6 h ILE 71 CO -0.03 0.00 -0.73 -0.26 0.00 0.00 0.00 178.15 177.14 3hy6 h PHE 72 N 0.02 0.00 0.00 1.37 0.04 -1.25 -1.65 116.94 115.47 3hy6 h PHE 72 Ca 0.32 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.02 3hy6 h PHE 72 Cb 0.49 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 3hy6 h PHE 72 CO -0.49 0.73 -0.34 1.96 -0.60 0.00 0.00 178.31 179.56 3hy6 h GLN 73 N 0.00 0.00 -0.64 1.51 4.20 -0.63 -2.68 115.11 116.88 3hy6 h GLN 73 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hy6 h GLN 73 Cb 1.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.20 3hy6 h GLN 73 CO 0.09 0.34 0.00 0.54 -0.67 0.00 0.00 178.83 179.13 3hy6 n ARG 74 N -4.05 3.07 -3.18 1.46 1.74 -0.57 -4.96 116.66 110.17 3hy6 n ARG 74 Ca -0.02 -2.39 -0.23 0.00 -0.77 0.00 0.00 57.85 54.44 3hy6 n ARG 74 Cb 0.39 -1.71 0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3hy6 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hy6 n GLY 75 N 1.17 -0.52 3.86 -0.13 0.00 -1.01 -4.99 105.19 103.58 3hy6 n GLY 75 Ca 0.22 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 3hy6 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hy6 s LYS 76 N -5.86 3.93 -0.26 1.61 1.02 -0.63 -5.03 119.74 114.52 3hy6 s LYS 76 Ca 0.36 0.61 -0.24 0.00 0.02 0.00 0.00 55.97 56.73 3hy6 s LYS 76 Cb -0.17 -2.41 -0.00 0.00 -0.52 0.00 0.00 37.83 34.72 3hy6 s LYS 76 CO 0.45 0.09 0.81 0.42 -0.92 0.00 0.00 175.35 176.20 3hy6 s ILE 77 N -2.11 4.83 -0.20 2.17 -1.09 0.41 -4.68 121.20 120.52 3hy6 s ILE 77 Ca 0.53 1.45 -0.08 0.00 -2.23 0.00 0.00 60.65 60.33 3hy6 s ILE 77 Cb -0.10 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 3hy6 s ILE 77 CO 0.22 -0.12 0.07 0.00 -1.23 0.00 0.00 174.94 173.88 3hy6 s PHE 79 N 0.67 2.18 0.20 0.00 0.08 0.11 -1.82 117.98 119.40 3hy6 s PHE 79 Ca 0.04 -0.41 0.10 0.00 0.12 0.00 0.00 56.93 56.77 3hy6 s PHE 79 Cb -0.13 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 3hy6 s PHE 79 CO 0.02 0.00 -0.19 0.96 -0.10 0.00 0.00 175.22 175.91 3hy6 s ILE 80 N -0.63 2.02 0.35 0.64 -4.36 0.17 -1.61 121.20 117.78 3hy6 s ILE 80 Ca 0.10 -2.09 -0.29 0.00 -0.26 0.00 0.00 60.65 58.11 3hy6 s ILE 80 Cb -0.09 -2.02 -0.11 0.00 1.25 0.00 0.00 42.46 41.49 3hy6 s ILE 80 CO -0.00 -0.35 1.51 -2.84 0.24 0.00 0.00 174.94 173.49 3hy6 s PRO 81 N -3.07 4.13 -0.27 0.37 0.02 -1.26 0.01 135.00 134.93 3hy6 s PRO 81 Ca 0.21 2.55 0.01 0.00 0.02 0.00 0.00 61.00 63.78 3hy6 s PRO 81 Cb -0.05 -2.99 0.08 0.00 0.02 0.00 0.00 34.50 31.55 3hy6 s PRO 81 CO 0.09 -0.54 0.00 0.50 -0.33 0.00 0.00 177.00 176.72 3hy6 s ARG 82 N -1.56 1.33 0.12 5.54 3.52 0.13 -4.82 118.95 123.21 3hy6 s ARG 82 Ca 0.56 -1.12 -0.23 0.00 -0.13 0.00 0.00 55.73 54.81 3hy6 s ARG 82 Cb -0.46 -2.53 -0.07 0.00 -1.56 0.00 0.00 34.95 30.33 3hy6 s ARG 82 CO 0.58 -0.75 0.71 0.71 -0.81 0.00 0.00 175.30 175.74 3hy6 s TYR 83 N 1.39 3.86 -0.60 5.12 2.02 -1.26 -2.15 117.35 125.73 3hy6 s TYR 83 Ca 0.01 1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 58.09 3hy6 s TYR 83 Cb -0.18 -2.69 0.15 0.00 -0.40 0.00 0.00 41.96 38.84 3hy6 s TYR 83 CO -0.11 0.51 0.51 1.03 -1.57 0.00 0.00 175.55 175.92 3hy6 s ARG 84 N -1.01 2.91 0.48 -0.62 1.81 0.17 -4.97 118.95 117.73 3hy6 s ARG 84 Ca 0.34 -2.03 0.33 0.00 -1.72 0.00 0.00 55.73 52.64 3hy6 s ARG 84 Cb -0.22 -4.13 1.68 0.00 -0.45 0.00 0.00 34.95 31.84 3hy6 s ARG 84 CO 0.23 -1.25 1.99 0.74 -0.68 0.00 0.00 175.30 176.33 3hy6 h PHE 85 N 8.21 0.00 -0.37 -0.53 0.04 -1.96 -2.13 116.94 120.19 3hy6 h PHE 85 Ca -0.13 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.70 3hy6 h PHE 85 Cb 1.06 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.15 3hy6 h PHE 85 CO 0.78 0.00 0.04 1.96 -0.60 0.00 0.00 178.31 180.49 3hy6 h GLN 86 N 0.00 0.15 0.00 1.51 7.50 -1.94 -3.46 115.11 118.86 3hy6 h GLN 86 Ca 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 3hy6 h GLN 86 Cb 0.10 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.60 3hy6 h GLN 86 CO 0.00 0.10 0.00 -1.13 -1.50 0.00 0.00 178.83 176.30 3hy6 n SER 87 N -5.13 1.81 -1.84 1.46 3.41 -0.80 -5.02 113.62 107.51 3hy6 n SER 87 Ca 0.02 -0.59 -0.15 0.00 -0.26 0.00 0.00 58.87 57.88 3hy6 n SER 87 Cb 0.18 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.17 3hy6 n SER 87 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hy6 n ASN 88 N -0.70 5.99 -4.65 4.04 6.94 -1.26 -4.80 115.26 120.82 3hy6 n ASN 88 Ca 0.00 -3.01 -0.35 0.00 -0.02 0.00 0.00 54.58 51.21 3hy6 n ASN 88 Cb 0.00 -1.00 -0.09 0.00 -2.36 0.00 0.00 39.78 36.33 3hy6 n ASN 88 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3hy6 s HIS 89 N -1.74 3.27 0.01 -2.53 2.46 -1.26 -4.45 115.29 111.06 3hy6 s HIS 89 Ca 0.30 0.11 -0.02 0.00 0.47 0.00 0.00 55.06 55.92 3hy6 s HIS 89 Cb 0.23 -2.07 -0.01 0.00 -0.13 0.00 0.00 32.58 30.60 3hy6 s HIS 89 CO 0.00 0.20 0.02 0.00 -2.47 0.00 0.00 174.74 172.49 3hy6 s MET 90 N 0.26 0.33 0.40 2.88 0.23 -1.26 -0.66 119.30 121.49 3hy6 s MET 90 Ca 0.04 -0.51 0.07 0.00 -1.03 0.00 0.00 55.69 54.27 3hy6 s MET 90 Cb -0.12 0.13 -0.07 0.00 -1.53 0.00 0.00 34.83 33.24 3hy6 s MET 90 CO 0.00 -0.06 0.08 -0.51 -2.03 0.00 0.00 175.02 172.50 3hy6 s ASP 91 N -1.33 4.12 -0.22 -1.18 1.01 -0.91 -4.91 116.67 113.25 3hy6 s ASP 91 Ca -0.14 -1.21 -0.04 0.00 0.71 0.00 0.00 52.55 51.86 3hy6 s ASP 91 Cb -0.09 -0.44 -0.01 0.00 1.01 0.00 0.00 42.92 43.39 3hy6 s ASP 91 CO -0.00 -0.46 -0.03 -0.04 0.21 0.00 0.00 175.17 174.85 3hy6 s MET 92 N -3.79 3.41 -0.05 8.23 -1.94 -1.26 -0.69 119.30 123.22 3hy6 s MET 92 Ca 0.37 -0.60 0.04 0.00 -1.71 0.00 0.00 55.69 53.79 3hy6 s MET 92 Cb 0.06 -3.06 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 3hy6 s MET 92 CO 0.20 -0.20 -0.14 0.14 -0.01 0.00 0.00 175.02 175.01 3hy6 s VAL 93 N 1.50 3.07 0.03 -6.03 -7.23 0.10 -0.47 120.40 111.37 3hy6 s VAL 93 Ca 0.06 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 3hy6 s VAL 93 Cb -0.14 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 3hy6 s VAL 93 CO -0.02 0.59 1.24 -0.60 -0.31 0.00 0.00 175.10 176.00 3hy6 s ARG 94 N -0.74 4.38 0.12 4.82 3.52 -0.27 -0.65 118.95 130.13 3hy6 s ARG 94 Ca 0.11 1.79 0.06 0.00 -0.13 0.00 0.00 55.73 57.57 3hy6 s ARG 94 Cb -0.11 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 3hy6 s ARG 94 CO 0.01 -0.36 0.00 0.96 -0.81 0.00 0.00 175.30 175.10 3hy6 s ILE 95 N 1.53 3.90 -1.38 4.11 -4.36 -0.75 -4.77 121.20 119.47 3hy6 s ILE 95 Ca 0.59 -1.16 0.14 0.00 -0.26 0.00 0.00 60.65 59.97 3hy6 s ILE 95 Cb -0.29 -2.90 0.02 0.00 1.25 0.00 0.00 42.46 40.54 3hy6 s ILE 95 CO 0.27 0.03 0.81 -0.62 0.24 0.00 0.00 174.94 175.67 3hy6 n GLU 96 N 0.30 1.66 -3.51 0.37 -0.58 -1.26 -4.44 120.64 113.18 3hy6 n GLU 96 Ca -0.10 -0.86 -0.08 0.00 -0.42 0.00 0.00 57.16 55.69 3hy6 n GLU 96 Cb 0.53 -1.22 -0.02 0.00 -0.57 0.00 0.00 31.44 30.16 3hy6 n GLU 96 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hy6 s SER 97 N -1.60 -0.35 0.45 1.62 1.04 -1.26 -5.02 113.70 108.58 3hy6 s SER 97 Ca 0.13 0.02 0.18 0.00 0.48 0.00 0.00 55.95 56.76 3hy6 s SER 97 Cb 0.11 0.37 1.08 0.00 0.10 0.00 0.00 66.02 67.68 3hy6 s SER 97 CO 0.31 -0.58 1.98 -0.65 0.98 0.00 0.00 173.24 175.28 3hy6 h PRO 98 N 2.03 0.00 0.00 4.02 0.11 -1.95 -3.06 132.00 133.15 3hy6 h PRO 98 Ca -0.21 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.83 3hy6 h PRO 98 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3hy6 h PRO 98 CO 0.30 0.21 -0.34 0.93 -0.21 0.00 0.00 178.00 178.89 3hy6 h GLU 99 N 0.00 0.00 -0.24 1.05 3.07 -2.01 -3.07 114.58 113.38 3hy6 h GLU 99 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3hy6 h GLU 99 Cb 0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 3hy6 h GLU 99 CO 0.03 0.34 -0.06 1.49 -1.40 0.00 0.00 179.01 179.41 3hy6 h GLU 100 N 0.00 0.38 -0.74 2.33 4.81 -1.93 -2.55 114.58 116.87 3hy6 h GLU 100 Ca -0.00 -0.08 0.13 0.00 -0.13 0.00 0.00 59.36 59.27 3hy6 h GLU 100 Cb 1.12 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 3hy6 h GLU 100 CO 0.04 0.46 0.49 0.82 -0.73 0.00 0.00 179.01 180.09 3hy6 h ILE 101 N 0.36 0.84 0.00 2.32 2.04 -1.67 -1.93 117.51 119.47 3hy6 h ILE 101 Ca 0.08 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3hy6 h ILE 101 Cb 0.34 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3hy6 h ILE 101 CO 0.02 0.09 -0.03 0.28 0.00 0.00 0.00 178.15 178.50 3hy6 h SER 102 N 0.50 0.00 0.00 1.72 0.02 -1.61 -3.08 113.55 111.10 3hy6 h SER 102 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3hy6 h SER 102 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3hy6 h SER 102 CO -0.12 0.03 -1.34 0.18 -1.14 0.00 0.00 176.83 174.44 3hy6 n LEU 103 N -3.15 0.63 -4.74 5.07 4.77 -0.74 -4.99 117.00 113.85 3hy6 n LEU 103 Ca 0.00 -0.32 -0.37 0.00 -0.03 0.00 0.00 56.01 55.29 3hy6 n LEU 103 Cb 0.31 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 3hy6 n LEU 103 CO 0.28 0.16 0.90 -0.76 -1.33 0.00 0.00 177.39 176.64 3hy6 s LEU 104 N -3.52 3.68 0.78 2.23 1.43 -1.16 -5.02 118.68 117.11 3hy6 s LEU 104 Ca 0.02 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 3hy6 s LEU 104 Cb 0.15 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 41.91 3hy6 s LEU 104 CO 0.87 -1.73 1.08 -2.16 0.23 0.00 0.00 176.35 174.64 3hy6 s PRO 105 N -3.23 2.21 0.18 1.29 0.04 -1.26 -4.82 135.00 129.42 3hy6 s PRO 105 Ca 0.78 0.99 0.09 0.00 0.04 0.00 0.00 61.00 62.90 3hy6 s PRO 105 Cb -0.36 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3hy6 s PRO 105 CO 0.39 -1.63 -0.11 0.15 0.04 0.00 0.00 177.00 175.84 3hy6 s LYS 106 N -4.97 1.99 0.56 4.56 1.02 -1.26 -1.90 119.74 119.74 3hy6 s LYS 106 Ca 0.61 -1.31 -0.05 0.00 0.02 0.00 0.00 55.97 55.24 3hy6 s LYS 106 Cb -0.16 -2.12 0.12 0.00 -0.52 0.00 0.00 37.83 35.15 3hy6 s LYS 106 CO 0.56 0.43 0.77 0.25 -0.92 0.00 0.00 175.35 176.43 3hy6 n THR 107 N 0.04 0.00 0.51 2.17 -2.24 -0.71 -4.90 114.28 109.15 3hy6 n THR 107 Ca -0.11 -0.84 0.07 0.00 -2.27 0.00 0.00 64.05 60.89 3hy6 n THR 107 Cb 0.56 -1.36 0.31 0.00 -2.10 0.00 0.00 70.33 67.73 3hy6 n THR 107 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hy6 n SER 108 N -3.25 0.00 -0.88 3.42 3.41 -1.26 -0.85 113.62 114.21 3hy6 n SER 108 Ca 0.11 0.45 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 3hy6 n SER 108 Cb 0.39 -0.47 0.28 0.00 -0.26 0.00 0.00 64.21 64.14 3hy6 n SER 108 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3hy6 n TRP 109 N -1.47 0.41 -3.31 7.33 7.02 -1.26 -4.94 117.44 121.22 3hy6 n TRP 109 Ca 0.04 -0.21 -0.24 0.00 -1.02 0.00 0.00 57.50 56.08 3hy6 n TRP 109 Cb 0.16 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.10 3hy6 n TRP 109 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3hy6 n ASN 110 N 0.95 -6.12 -4.27 -0.99 3.02 -0.03 -5.01 115.26 102.81 3hy6 n ASN 110 Ca 0.18 -0.42 -0.32 0.00 -0.03 0.00 0.00 54.58 53.99 3hy6 n ASN 110 Cb 0.47 -4.88 -0.16 0.00 -0.61 0.00 0.00 39.78 34.59 3hy6 n ASN 110 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hy6 s ILE 111 N -3.24 2.21 0.39 2.41 -1.09 -1.26 -4.88 121.20 115.74 3hy6 s ILE 111 Ca 0.44 -0.99 -0.27 0.00 -2.23 0.00 0.00 60.65 57.60 3hy6 s ILE 111 Cb -0.20 -1.83 -0.10 0.00 -1.58 0.00 0.00 42.46 38.76 3hy6 s ILE 111 CO 0.55 0.56 1.37 -2.84 -1.23 0.00 0.00 174.94 173.35 3hy6 s PRO 112 N 0.03 4.04 -0.21 2.79 0.02 -1.26 -1.74 135.00 138.67 3hy6 s PRO 112 Ca -0.09 2.32 -0.27 0.00 0.02 0.00 0.00 61.00 62.98 3hy6 s PRO 112 Cb -0.15 -2.86 0.11 0.00 0.02 0.00 0.00 34.50 31.61 3hy6 s PRO 112 CO 0.06 -0.49 0.91 1.14 -0.33 0.00 0.00 177.00 178.29 3hy6 s GLN 113 N -2.14 0.67 0.34 5.54 -2.07 -0.80 -4.92 119.66 116.29 3hy6 s GLN 113 Ca 0.55 0.49 -0.28 0.00 -1.82 0.00 0.00 55.36 54.31 3hy6 s GLN 113 Cb -0.42 0.32 -0.12 0.00 -1.09 0.00 0.00 33.01 31.70 3hy6 s GLN 113 CO 0.55 -0.14 1.22 -2.30 -1.32 0.00 0.00 175.29 173.29 3hy6 n PRO 114 N 1.69 1.91 -1.06 9.60 -0.02 -1.26 -4.03 135.00 141.84 3hy6 n PRO 114 Ca -0.13 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 61.73 3hy6 n PRO 114 Cb 0.56 -2.22 0.21 0.00 -0.02 0.00 0.00 33.50 32.03 3hy6 n PRO 114 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hy6 s GLY 115 N -0.40 1.56 0.27 -1.23 0.00 -1.26 -4.91 107.32 101.35 3hy6 s GLY 115 Ca 0.57 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.72 3hy6 s GLY 115 CO 0.61 0.18 1.89 0.83 0.00 0.00 0.00 173.10 176.61 3hy6 h GLU 116 N -2.25 1.12 -0.10 2.90 5.08 -2.02 -2.13 114.58 117.18 3hy6 h GLU 116 Ca -0.52 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 3hy6 h GLU 116 Cb 1.32 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3hy6 h GLU 116 CO 0.49 0.74 0.00 0.41 -1.00 0.00 0.00 179.01 179.66 3hy6 n GLY 117 N -1.37 0.20 3.49 -3.84 0.00 -1.26 -4.81 105.19 97.60 3hy6 n GLY 117 Ca 0.15 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 3hy6 n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hy6 s ASP 118 N -1.76 6.24 -0.27 1.61 -1.08 -0.80 -4.98 116.67 115.62 3hy6 s ASP 118 Ca 0.35 -0.68 -0.29 0.00 -0.52 0.00 0.00 52.55 51.40 3hy6 s ASP 118 Cb 0.19 -2.44 -0.01 0.00 -1.46 0.00 0.00 42.92 39.20 3hy6 s ASP 118 CO 0.30 -1.40 1.39 -0.69 0.52 0.00 0.00 175.17 175.29 3hy6 s VAL 119 N 4.20 4.01 0.12 1.11 1.01 -1.26 -4.80 120.40 124.79 3hy6 s VAL 119 Ca 0.27 1.14 0.10 0.00 0.00 0.00 0.00 61.98 63.49 3hy6 s VAL 119 Cb -0.14 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3hy6 s VAL 119 CO 0.14 -0.41 -0.23 -0.13 0.00 0.00 0.00 175.10 174.47 3hy6 s ARG 120 N 4.29 1.58 -0.02 2.72 1.81 -1.26 -5.10 118.95 122.97 3hy6 s ARG 120 Ca 0.61 -1.27 -0.30 0.00 -1.72 0.00 0.00 55.73 53.05 3hy6 s ARG 120 Cb -0.19 -2.00 -0.06 0.00 -0.45 0.00 0.00 34.95 32.25 3hy6 s ARG 120 CO 0.25 0.46 1.52 -2.00 -0.68 0.00 0.00 175.30 174.85 3hy6 s GLU 121 N -2.10 4.23 -0.10 3.54 2.12 -1.26 -4.92 118.70 120.20 3hy6 s GLU 121 Ca 0.16 2.07 -0.12 0.00 0.36 0.00 0.00 54.97 57.44 3hy6 s GLU 121 Cb -0.10 -3.74 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 3hy6 s GLU 121 CO 0.08 -0.71 0.28 -1.21 -0.54 0.00 0.00 175.26 173.16 3hy6 s GLU 122 N 3.12 3.93 0.30 4.30 2.02 -1.26 -1.12 118.70 129.99 3hy6 s GLU 122 Ca 0.68 0.12 0.05 0.00 0.02 0.00 0.00 54.97 55.84 3hy6 s GLU 122 Cb -0.32 -3.30 0.76 0.00 0.10 0.00 0.00 34.13 31.37 3hy6 s GLU 122 CO 0.27 0.53 1.71 0.00 0.02 0.00 0.00 175.26 177.79 3hy6 h ALA 123 N 5.61 1.53 -0.00 5.21 0.00 -1.12 -0.96 119.26 129.52 3hy6 h ALA 123 Ca -0.48 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hy6 h ALA 123 Cb 1.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hy6 h ALA 123 CO 0.66 -0.30 -0.01 1.28 0.00 0.00 0.00 179.25 180.88 3hy6 n LEU 124 N -4.99 0.05 -0.41 0.00 4.77 -1.26 -0.20 117.00 114.97 3hy6 n LEU 124 Ca 0.23 0.21 0.11 0.00 -0.03 0.00 0.00 56.01 56.53 3hy6 n LEU 124 Cb 0.67 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3hy6 n LEU 124 CO 0.14 0.01 0.27 -1.54 -1.33 0.00 0.00 177.39 174.94 3hy6 n SER 125 N -1.21 1.83 -0.27 -1.43 3.41 -0.37 -4.42 113.62 111.17 3hy6 n SER 125 Ca 0.16 -1.41 0.05 0.00 -0.26 0.00 0.00 58.87 57.41 3hy6 n SER 125 Cb 0.23 0.54 0.07 0.00 -0.26 0.00 0.00 64.21 64.78 3hy6 n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hy6 n THR 126 N -0.27 0.94 0.00 6.66 -2.24 -1.14 -4.99 114.28 113.23 3hy6 n THR 126 Ca 0.09 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 3hy6 n THR 126 Cb 0.44 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3hy6 n THR 126 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hy6 n GLY 127 N -0.71 1.08 7.00 3.38 0.00 -1.16 -5.06 105.19 109.71 3hy6 n GLY 127 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3hy6 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hy6 n GLY 128 N 0.00 -1.21 3.11 -0.02 0.00 0.72 -4.95 105.19 102.84 3hy6 n GLY 128 Ca 0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 3hy6 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hy6 s LEU 129 N 0.00 2.07 -0.00 0.99 1.43 -1.26 -4.75 118.68 117.15 3hy6 s LEU 129 Ca 0.00 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 3hy6 s LEU 129 Cb 0.00 -0.66 -0.33 0.00 0.03 0.00 0.00 46.19 45.23 3hy6 s LEU 129 CO 0.00 0.12 0.85 0.44 0.23 0.00 0.00 176.35 178.00 3hy6 h ASP 130 N 5.56 0.72 -3.56 2.29 3.32 -1.57 -3.36 116.42 119.82 3hy6 h ASP 130 Ca -0.35 -0.90 -0.24 0.00 0.02 0.00 0.00 57.03 55.57 3hy6 h ASP 130 Cb 1.17 -0.23 -0.30 0.00 0.22 0.00 0.00 39.33 40.18 3hy6 h ASP 130 CO 0.47 1.73 -0.62 -0.22 -1.72 0.00 0.00 179.24 178.88 3hy6 s LEU 131 N -7.43 1.07 -0.20 1.55 2.96 -1.13 -0.30 118.68 115.20 3hy6 s LEU 131 Ca -0.12 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3hy6 s LEU 131 Cb 0.05 0.29 0.04 0.00 0.50 0.00 0.00 46.19 47.06 3hy6 s LEU 131 CO 0.90 -0.11 -0.15 -0.63 -1.32 0.00 0.00 176.35 175.05 3hy6 s ILE 132 N 0.78 1.95 -0.04 6.68 1.01 0.72 -1.29 121.20 131.03 3hy6 s ILE 132 Ca -0.06 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 3hy6 s ILE 132 Cb -0.08 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 3hy6 s ILE 132 CO -0.03 0.29 1.37 -0.36 0.00 0.00 0.00 174.94 176.20 3hy6 s PHE 133 N 1.28 2.84 -0.27 3.97 0.08 -0.25 -0.76 117.98 124.87 3hy6 s PHE 133 Ca -0.00 0.86 -0.09 0.00 0.12 0.00 0.00 56.93 57.82 3hy6 s PHE 133 Cb -0.16 -3.62 -0.03 0.00 -0.57 0.00 0.00 43.02 38.64 3hy6 s PHE 133 CO -0.09 -2.26 0.12 -1.64 -0.10 0.00 0.00 175.22 171.24 3hy6 s MET 134 N 2.64 3.66 0.80 0.44 -1.94 0.26 -4.45 119.30 120.72 3hy6 s MET 134 Ca 0.62 -0.49 -0.09 0.00 -1.71 0.00 0.00 55.69 54.02 3hy6 s MET 134 Cb -0.29 -3.47 0.12 0.00 2.01 0.00 0.00 34.83 33.20 3hy6 s MET 134 CO 0.24 -0.24 1.12 -1.25 -0.01 0.00 0.00 175.02 174.89 3hy6 s PRO 135 N 1.65 1.54 0.00 2.03 0.04 -1.26 -2.92 135.00 136.09 3hy6 s PRO 135 Ca 0.06 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.62 3hy6 s PRO 135 Cb -0.16 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3hy6 s PRO 135 CO 0.06 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 175.81 3hy6 n GLY 136 N -3.21 1.83 0.14 0.56 0.00 -1.26 -4.92 105.19 98.33 3hy6 n GLY 136 Ca 0.12 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 3hy6 n GLY 136 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hy6 h LEU 137 N 0.00 0.79 -7.58 0.99 3.38 -0.85 -3.48 115.31 108.56 3hy6 h LEU 137 Ca 0.00 -0.85 -0.10 0.00 0.09 0.00 0.00 57.88 57.02 3hy6 h LEU 137 Cb 0.00 -0.26 -0.18 0.00 0.09 0.00 0.00 40.66 40.32 3hy6 h LEU 137 CO 0.00 1.66 -0.28 -0.83 0.09 0.00 0.00 178.44 179.08 3hy6 s GLY 138 N -4.62 -0.10 0.01 0.83 0.00 -0.88 -4.73 107.32 97.83 3hy6 s GLY 138 Ca -0.08 0.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.67 3hy6 s GLY 138 CO 0.94 -0.17 -0.01 -1.36 0.00 0.00 0.00 173.10 172.50 3hy6 s PHE 139 N -2.20 0.18 0.54 1.90 0.08 -0.80 0.73 117.98 118.41 3hy6 s PHE 139 Ca -0.07 -0.37 0.08 0.00 0.12 0.00 0.00 56.93 56.68 3hy6 s PHE 139 Cb -0.02 -0.13 0.06 0.00 -0.57 0.00 0.00 43.02 42.35 3hy6 s PHE 139 CO -0.01 -0.14 0.61 0.16 -0.10 0.00 0.00 175.22 175.73 3hy6 s ASP 140 N -1.07 4.97 0.00 1.36 1.47 -0.92 -0.47 116.67 122.01 3hy6 s ASP 140 Ca -0.12 -0.95 0.31 0.00 1.18 0.00 0.00 52.55 52.97 3hy6 s ASP 140 Cb -0.07 0.20 1.76 0.00 -0.34 0.00 0.00 42.92 44.47 3hy6 s ASP 140 CO -0.01 -1.16 2.15 0.29 0.68 0.00 0.00 175.17 177.12 3hy6 n LYS 141 N -1.99 1.10 0.00 2.11 5.02 -1.26 -2.25 118.16 120.89 3hy6 n LYS 141 Ca 0.08 -0.14 0.13 0.00 -2.02 0.00 0.00 58.31 56.36 3hy6 n LYS 141 Cb 0.62 -1.49 0.45 0.00 -0.02 0.00 0.00 35.03 34.59 3hy6 n LYS 141 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hy6 n HIS 142 N -0.82 0.00 -0.78 2.13 8.25 -1.26 -4.95 115.22 117.79 3hy6 n HIS 142 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3hy6 n HIS 142 Cb 0.15 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3hy6 n HIS 142 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hy6 n GLY 143 N 1.25 0.82 3.77 -1.41 0.00 -0.95 -4.86 105.19 103.80 3hy6 n GLY 143 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3hy6 n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hy6 s ASN 144 N -2.74 6.41 0.00 1.61 -0.87 -1.26 -0.59 114.94 117.51 3hy6 s ASN 144 Ca 0.00 2.71 0.07 0.00 -1.57 0.00 0.00 52.86 54.08 3hy6 s ASN 144 Cb 0.00 -2.64 -0.02 0.00 -0.02 0.00 0.00 41.25 38.57 3hy6 s ASN 144 CO 0.00 -0.78 -0.23 -0.60 -2.57 0.00 0.00 177.10 172.91 3hy6 s ARG 145 N -2.12 1.79 -0.30 -0.60 3.52 -1.26 -2.18 118.95 117.80 3hy6 s ARG 145 Ca 0.55 -0.88 -0.02 0.00 -0.13 0.00 0.00 55.73 55.24 3hy6 s ARG 145 Cb -0.39 -1.79 0.05 0.00 -1.56 0.00 0.00 34.95 31.25 3hy6 s ARG 145 CO 0.52 0.48 0.00 -1.17 -0.81 0.00 0.00 175.30 174.32 3hy6 s LEU 146 N -0.74 3.85 0.00 -0.88 2.96 0.22 -4.92 118.68 119.18 3hy6 s LEU 146 Ca 0.09 -1.21 0.00 0.00 -0.22 0.00 0.00 54.13 52.79 3hy6 s LEU 146 Cb -0.09 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3hy6 s LEU 146 CO -0.00 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 3hy6 n GLY 147 N 4.64 -0.09 0.36 7.98 0.00 -1.26 -0.26 105.19 116.56 3hy6 n GLY 147 Ca -0.13 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.28 3hy6 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hy6 n ARG 148 N -0.08 1.19 0.00 1.61 1.74 -1.26 -4.47 116.66 115.39 3hy6 n ARG 148 Ca 0.00 -0.73 0.00 0.00 -0.77 0.00 0.00 57.85 56.35 3hy6 n ARG 148 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 3hy6 n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hy6 n GLY 149 N 1.29 1.58 0.09 -0.13 0.00 -1.26 -4.98 105.19 101.78 3hy6 n GLY 149 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 3hy6 n GLY 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hy6 n LYS 150 N -0.22 0.62 -1.78 1.61 4.76 -1.26 -4.97 118.16 116.91 3hy6 n LYS 150 Ca 0.00 0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 3hy6 n LYS 150 Cb 0.00 -1.76 -0.04 0.00 -1.84 0.00 0.00 35.03 31.39 3hy6 n LYS 150 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hy6 n GLY 151 N 1.21 0.76 0.22 0.72 0.00 -1.26 -4.67 105.19 102.17 3hy6 n GLY 151 Ca -0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 3hy6 n GLY 151 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hy6 h TYR 152 N 0.00 -0.48 -0.41 1.61 -1.99 -1.94 -1.81 116.97 111.95 3hy6 h TYR 152 Ca -0.31 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.30 3hy6 h TYR 152 Cb 1.07 0.21 -0.01 0.00 2.00 0.00 0.00 36.73 40.00 3hy6 h TYR 152 CO 0.39 -0.26 -0.27 1.88 -0.00 0.00 0.00 178.16 179.91 3hy6 h TYR 153 N -0.29 1.00 -0.08 4.88 -1.99 -1.92 -0.38 116.97 118.19 3hy6 h TYR 153 Ca 0.06 -0.25 0.03 0.00 2.00 0.00 0.00 58.73 60.57 3hy6 h TYR 153 Cb 0.37 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 38.83 3hy6 h TYR 153 CO -0.24 1.03 -0.12 -0.44 -0.00 0.00 0.00 178.16 178.39 3hy6 h ASP 154 N 0.74 -0.38 -0.58 3.88 3.32 -1.93 -0.96 116.42 120.51 3hy6 h ASP 154 Ca 0.09 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3hy6 h ASP 154 Cb 0.82 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 3hy6 h ASP 154 CO 0.07 -0.17 0.31 0.00 -1.72 0.00 0.00 179.24 177.73 3hy6 h ALA 155 N 0.87 0.74 -0.26 3.45 0.00 -1.16 -2.52 119.26 120.39 3hy6 h ALA 155 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hy6 h ALA 155 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hy6 h ALA 155 CO -0.18 0.28 0.11 -0.92 0.00 0.00 0.00 179.25 178.53 3hy6 h TYR 156 N 0.78 0.39 -0.99 0.00 3.20 -0.99 -2.39 116.97 116.97 3hy6 h TYR 156 Ca 0.20 -0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.19 3hy6 h TYR 156 Cb 0.07 -0.12 -0.09 0.00 1.54 0.00 0.00 36.73 38.13 3hy6 h TYR 156 CO -0.01 0.39 0.61 -0.07 -1.64 0.00 0.00 178.16 177.45 3hy6 h LEU 157 N 0.27 0.86 -0.76 2.82 3.38 -1.04 -1.12 115.31 119.72 3hy6 h LEU 157 Ca 0.09 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3hy6 h LEU 157 Cb 0.16 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3hy6 h LEU 157 CO -0.01 0.41 0.35 0.11 0.09 0.00 0.00 178.44 179.40 3hy6 h LYS 158 N 0.91 1.10 -0.93 1.13 1.57 -1.23 -2.83 116.57 116.28 3hy6 h LYS 158 Ca 0.52 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 59.16 3hy6 h LYS 158 Cb 0.61 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 3hy6 h LYS 158 CO -0.30 0.86 0.61 0.00 -0.57 0.00 0.00 179.45 180.05 3hy6 h ARG 159 N 1.07 1.15 -0.10 3.15 3.08 -0.73 -2.23 114.38 119.77 3hy6 h ARG 159 Ca 0.26 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 3hy6 h ARG 159 Cb 0.14 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3hy6 h ARG 159 CO -0.03 0.76 -0.11 0.00 -1.07 0.00 0.00 179.97 179.52 3hy6 n LEU 161 N -4.33 5.21 -3.45 0.00 4.32 -0.84 -3.22 117.00 114.70 3hy6 n LEU 161 Ca -0.01 -3.09 -0.13 0.00 -0.02 0.00 0.00 56.01 52.76 3hy6 n LEU 161 Cb 0.23 -1.30 -0.03 0.00 -1.62 0.00 0.00 43.42 40.70 3hy6 n LEU 161 CO 0.37 1.52 0.39 -1.10 -1.22 0.00 0.00 177.39 177.35 3hy6 s GLN 162 N 1.40 1.24 0.00 3.23 -0.21 -0.65 -4.94 119.66 119.73 3hy6 s GLN 162 Ca 0.61 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.60 3hy6 s GLN 162 Cb 0.27 0.57 0.00 0.00 1.00 0.00 0.00 33.01 34.85 3hy6 s GLN 162 CO -0.01 -0.52 0.00 0.72 -2.12 0.00 0.00 175.29 173.36 3hy6 n HIS 163 N -0.20 0.00 -3.86 0.91 8.25 -1.26 -4.91 115.22 114.15 3hy6 n HIS 163 Ca -0.17 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.93 3hy6 n HIS 163 Cb 0.64 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.64 3hy6 n HIS 163 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3hy6 s GLN 164 N 0.00 3.85 0.05 -0.41 -0.21 -1.20 -4.93 119.66 116.82 3hy6 s GLN 164 Ca 0.00 -0.39 -0.26 0.00 0.02 0.00 0.00 55.36 54.73 3hy6 s GLN 164 Cb 0.00 -3.32 -0.17 0.00 1.00 0.00 0.00 33.01 30.52 3hy6 s GLN 164 CO 0.00 0.04 1.53 0.93 -2.12 0.00 0.00 175.29 175.67 3hy6 h GLU 165 N 7.51 -0.27 -5.02 2.91 3.07 -1.91 -3.42 114.58 117.45 3hy6 h GLU 165 Ca -0.37 0.02 -0.64 0.00 -0.50 0.00 0.00 59.36 57.87 3hy6 h GLU 165 Cb 1.17 0.06 -0.21 0.00 -0.84 0.00 0.00 28.75 28.93 3hy6 h GLU 165 CO 0.63 -0.07 -0.62 0.14 -1.40 0.00 0.00 179.01 177.70 3hy6 s VAL 166 N -5.54 4.38 0.82 3.13 -7.23 -1.26 -5.09 120.40 109.61 3hy6 s VAL 166 Ca -0.15 -0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 59.75 3hy6 s VAL 166 Cb 0.04 -3.03 0.09 0.00 0.56 0.00 0.00 36.38 34.04 3hy6 s VAL 166 CO 0.63 0.36 1.16 -1.59 -0.31 0.00 0.00 175.10 175.35 3hy6 s LYS 167 N 1.35 1.66 0.59 4.82 -2.85 -1.26 -4.97 119.74 119.07 3hy6 s LYS 167 Ca 0.05 1.56 -0.18 0.00 -1.00 0.00 0.00 55.97 56.40 3hy6 s LYS 167 Cb -0.15 -1.80 -0.04 0.00 -2.06 0.00 0.00 37.83 33.79 3hy6 s LYS 167 CO 0.03 -2.16 1.11 -2.14 0.10 0.00 0.00 175.35 172.30 3hy6 s PRO 168 N -4.42 3.17 0.08 1.78 0.02 -1.26 -4.97 135.00 129.40 3hy6 s PRO 168 Ca 0.69 1.49 -0.30 0.00 0.02 0.00 0.00 61.00 62.89 3hy6 s PRO 168 Cb -0.24 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.24 3hy6 s PRO 168 CO 0.53 -0.97 1.01 -0.47 -0.33 0.00 0.00 177.00 176.76 3hy6 s TYR 169 N -2.04 3.71 -0.26 6.54 5.04 0.58 -4.90 117.35 126.02 3hy6 s TYR 169 Ca 0.70 1.70 -0.04 0.00 -2.44 0.00 0.00 57.07 56.99 3hy6 s TYR 169 Cb -0.22 -3.13 0.02 0.00 0.35 0.00 0.00 41.96 38.98 3hy6 s TYR 169 CO 0.33 -0.09 -0.01 0.95 -1.34 0.00 0.00 175.55 175.39 3hy6 s THR 170 N 0.35 3.34 -0.29 4.34 -4.23 -1.26 -0.20 115.64 117.69 3hy6 s THR 170 Ca 0.50 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 60.18 3hy6 s THR 170 Cb -0.24 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 70.97 3hy6 s THR 170 CO 0.30 0.18 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.29 3hy6 s LEU 171 N 1.41 3.79 0.17 4.79 2.96 0.06 -2.31 118.68 129.55 3hy6 s LEU 171 Ca 0.02 -1.44 -0.23 0.00 -0.22 0.00 0.00 54.13 52.26 3hy6 s LEU 171 Cb -0.17 -1.63 -0.08 0.00 0.50 0.00 0.00 46.19 44.82 3hy6 s LEU 171 CO -0.02 -0.24 0.73 0.00 -1.32 0.00 0.00 176.35 175.50 3hy6 s ALA 172 N 1.14 3.46 -0.25 5.97 0.00 -0.39 -0.58 121.76 131.11 3hy6 s ALA 172 Ca -0.05 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 3hy6 s ALA 172 Cb -0.20 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.07 3hy6 s ALA 172 CO -0.04 0.32 -0.03 -0.51 0.00 0.00 0.00 175.76 175.51 3hy6 s LEU 173 N -1.39 3.23 -0.03 0.00 1.43 -1.15 -0.91 118.68 119.87 3hy6 s LEU 173 Ca 0.37 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3hy6 s LEU 173 Cb -0.21 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 3hy6 s LEU 173 CO 0.23 -0.11 -0.13 0.00 0.23 0.00 0.00 176.35 176.57 3hy6 s ALA 174 N 1.41 1.19 0.67 4.21 0.00 -0.45 -4.64 121.76 124.15 3hy6 s ALA 174 Ca 0.02 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.29 3hy6 s ALA 174 Cb -0.16 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.58 3hy6 s ALA 174 CO -0.03 0.22 1.26 -0.06 0.00 0.00 0.00 175.76 177.15 3hy6 s PHE 175 N 0.03 2.08 0.36 0.00 0.08 -1.26 -4.27 117.98 115.00 3hy6 s PHE 175 Ca -0.02 1.53 0.08 0.00 0.12 0.00 0.00 56.93 58.65 3hy6 s PHE 175 Cb -0.09 -3.60 0.80 0.00 -0.57 0.00 0.00 43.02 39.56 3hy6 s PHE 175 CO 0.01 -2.76 1.92 0.87 -0.10 0.00 0.00 175.22 175.15 3hy6 h LYS 176 N 0.26 0.68 0.00 0.44 1.57 -1.94 -0.83 116.57 116.75 3hy6 h LYS 176 Ca -0.50 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3hy6 h LYS 176 Cb 1.32 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 3hy6 h LYS 176 CO 0.52 0.45 -0.00 0.93 -0.57 0.00 0.00 179.45 180.78 3hy6 h GLU 177 N 0.70 0.00 -0.01 3.15 3.07 -1.99 -2.70 114.58 116.80 3hy6 h GLU 177 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 3hy6 h GLU 177 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3hy6 h GLU 177 CO -0.15 0.00 -0.12 1.04 -1.40 0.00 0.00 179.01 178.38 3hy6 n GLN 178 N -3.67 1.14 -2.81 2.33 6.02 -0.32 -4.85 117.38 115.22 3hy6 n GLN 178 Ca -0.03 -0.61 -0.42 0.00 -0.01 0.00 0.00 57.00 55.93 3hy6 n GLN 178 Cb 0.08 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 3hy6 n GLN 178 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hy6 s ILE 179 N -2.28 4.78 0.28 5.09 -1.09 -1.02 -1.90 121.20 125.06 3hy6 s ILE 179 Ca 0.31 1.74 0.09 0.00 -2.23 0.00 0.00 60.65 60.57 3hy6 s ILE 179 Cb 0.20 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 3hy6 s ILE 179 CO 0.43 -0.10 0.01 0.00 -1.23 0.00 0.00 174.94 174.05 3hy6 h LEU 181 N 1.85 -0.09 -7.22 0.00 6.46 -1.96 -3.38 115.31 110.98 3hy6 h LEU 181 Ca -0.44 -0.48 -0.40 0.00 -0.12 0.00 0.00 57.88 56.44 3hy6 h LEU 181 Cb 1.25 0.02 -0.40 0.00 -0.73 0.00 0.00 40.66 40.81 3hy6 h LEU 181 CO 0.61 0.48 -0.74 -1.58 -0.62 0.00 0.00 178.44 176.58 3hy6 s GLN 182 N -3.71 -0.01 -0.19 1.25 0.74 -1.26 -4.73 119.66 111.75 3hy6 s GLN 182 Ca -0.15 0.20 -0.18 0.00 0.05 0.00 0.00 55.36 55.28 3hy6 s GLN 182 Cb 0.01 -1.01 -0.03 0.00 1.10 0.00 0.00 33.01 33.08 3hy6 s GLN 182 CO 0.59 -0.46 0.50 0.08 -0.55 0.00 0.00 175.29 175.46 3hy6 s VAL 183 N 2.15 5.13 0.13 1.34 1.01 -1.26 -5.03 120.40 123.88 3hy6 s VAL 183 Ca 0.04 0.93 -0.31 0.00 0.00 0.00 0.00 61.98 62.64 3hy6 s VAL 183 Cb -0.13 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 3hy6 s VAL 183 CO -0.05 0.21 1.41 -2.84 0.00 0.00 0.00 175.10 173.82 3hy6 s PRO 184 N 1.43 4.31 0.08 2.72 0.02 -1.26 -4.97 135.00 137.34 3hy6 s PRO 184 Ca 0.24 2.12 0.02 0.00 0.02 0.00 0.00 61.00 63.39 3hy6 s PRO 184 Cb -0.15 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 3hy6 s PRO 184 CO 0.10 -0.44 -0.07 0.14 -0.33 0.00 0.00 177.00 176.39 3hy6 s VAL 185 N 1.00 0.64 0.30 3.83 -7.23 -1.26 -4.87 120.40 112.80 3hy6 s VAL 185 Ca 0.64 -1.68 0.01 0.00 -1.81 0.00 0.00 61.98 59.15 3hy6 s VAL 185 Cb -0.38 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3hy6 s VAL 185 CO 0.31 -0.73 0.12 -0.46 -0.31 0.00 0.00 175.10 174.04 3hy6 n ASN 186 N 0.40 2.36 0.14 4.85 6.94 -1.26 -5.02 115.26 123.67 3hy6 n ASN 186 Ca -0.15 -2.15 0.11 0.00 -0.02 0.00 0.00 54.58 52.37 3hy6 n ASN 186 Cb 0.59 0.08 0.53 0.00 -2.36 0.00 0.00 39.78 38.62 3hy6 n ASN 186 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 3hy6 n GLU 187 N -0.99 0.16 0.10 -3.83 2.13 -1.26 -2.42 120.64 114.53 3hy6 n GLU 187 Ca -0.06 0.53 0.12 0.00 0.66 0.00 0.00 57.16 58.41 3hy6 n GLU 187 Cb 0.36 -1.91 0.03 0.00 0.27 0.00 0.00 31.44 30.20 3hy6 n GLU 187 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 3hy6 h ASN 188 N 0.00 0.00 -3.89 4.31 -1.24 -2.04 -3.48 115.58 109.25 3hy6 h ASN 188 Ca 0.00 -0.04 -0.49 0.00 0.71 0.00 0.00 56.30 56.48 3hy6 h ASN 188 Cb 0.17 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.23 3hy6 h ASN 188 CO 0.00 0.02 0.42 -1.81 -1.29 0.00 0.00 177.43 174.77 3hy6 s ASP 189 N -5.19 7.05 -0.23 1.15 1.01 -1.02 -4.92 116.67 114.53 3hy6 s ASP 189 Ca 0.01 2.09 -0.05 0.00 0.71 0.00 0.00 52.55 55.31 3hy6 s ASP 189 Cb 0.10 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 3hy6 s ASP 189 CO 0.77 -0.28 -0.00 -0.04 0.21 0.00 0.00 175.17 175.83 3hy6 s MET 190 N -2.00 3.50 0.65 8.23 -1.94 -1.26 -4.93 119.30 121.55 3hy6 s MET 190 Ca 0.51 -0.56 -0.17 0.00 -1.71 0.00 0.00 55.69 53.76 3hy6 s MET 190 Cb -0.25 -3.12 -0.00 0.00 2.01 0.00 0.00 34.83 33.46 3hy6 s MET 190 CO 0.32 -0.16 1.18 0.15 -0.01 0.00 0.00 175.02 176.50 3hy6 s LYS 191 N 1.45 2.69 0.15 2.03 1.02 -1.26 -4.52 119.74 121.30 3hy6 s LYS 191 Ca 0.05 1.68 -0.00 0.00 0.02 0.00 0.00 55.97 57.72 3hy6 s LYS 191 Cb -0.15 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 3hy6 s LYS 191 CO -0.00 -1.39 0.32 0.14 -0.92 0.00 0.00 175.35 173.50 3hy6 s VAL 192 N -1.92 5.27 0.29 3.17 -7.23 0.24 -5.01 120.40 115.22 3hy6 s VAL 192 Ca 0.73 -0.42 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 3hy6 s VAL 192 Cb -0.27 -3.71 0.13 0.00 0.56 0.00 0.00 36.38 33.09 3hy6 s VAL 192 CO 0.39 -0.07 1.80 0.44 -0.31 0.00 0.00 175.10 177.35 3hy6 h ASP 193 N 2.33 0.64 -3.67 4.85 3.32 -1.79 -3.41 116.42 118.69 3hy6 h ASP 193 Ca -0.47 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.35 3hy6 h ASP 193 Cb 1.18 -0.17 -0.23 0.00 0.22 0.00 0.00 39.33 40.33 3hy6 h ASP 193 CO 0.70 0.72 -0.11 -0.70 -1.72 0.00 0.00 179.24 178.13 3hy6 s GLU 194 N -4.96 0.60 -0.27 3.56 2.12 -1.03 -4.97 118.70 113.74 3hy6 s GLU 194 Ca -0.09 0.82 -0.07 0.00 0.36 0.00 0.00 54.97 56.00 3hy6 s GLU 194 Cb 0.15 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 3hy6 s GLU 194 CO 0.79 -0.10 0.06 0.14 -0.54 0.00 0.00 175.26 175.61 3hy6 s VAL 195 N 0.68 4.03 0.04 3.70 -7.23 -1.26 -1.27 120.40 119.09 3hy6 s VAL 195 Ca -0.03 -0.48 -0.16 0.00 -1.81 0.00 0.00 61.98 59.50 3hy6 s VAL 195 Cb -0.05 -2.98 -0.06 0.00 0.56 0.00 0.00 36.38 33.85 3hy6 s VAL 195 CO -0.05 0.21 0.47 -0.76 -0.31 0.00 0.00 175.10 174.67 3hy6 s LEU 196 N 1.54 4.48 -0.04 1.32 1.43 -0.09 -4.98 118.68 122.34 3hy6 s LEU 196 Ca 0.04 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.91 3hy6 s LEU 196 Cb -0.16 -2.75 0.11 0.00 0.03 0.00 0.00 46.19 43.42 3hy6 s LEU 196 CO 0.02 0.29 0.95 -0.72 0.23 0.00 0.00 176.35 177.12 3hy6 s TYR 197 N -1.13 -0.31 0.00 0.29 -0.85 -1.26 -1.33 117.35 112.76 3hy6 s TYR 197 Ca 0.27 0.20 0.00 0.00 -0.52 0.00 0.00 57.07 57.02 3hy6 s TYR 197 Cb -0.17 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.70 3hy6 s TYR 197 CO 0.16 -0.48 0.00 0.39 -1.52 0.00 0.00 175.55 174.10