#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz h LEU 3 N 0.00 -0.13 0.00 3.14 6.46 -2.06 0.13 115.31 122.85 3huz h LEU 3 Ca 0.00 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 3huz h LEU 3 Cb 0.00 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 3huz h LEU 3 CO 0.00 -0.22 0.00 -1.20 -0.62 0.00 0.00 178.44 176.40 3huz n SER 4 N -5.30 0.00 -0.05 1.25 7.64 -1.26 -1.93 113.62 113.97 3huz n SER 4 Ca 0.22 0.92 0.24 0.00 1.01 0.00 0.00 58.87 61.27 3huz n SER 4 Cb 0.71 -0.42 0.64 0.00 -1.01 0.00 0.00 64.21 64.13 3huz n SER 4 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3huz h GLU 5 N 0.00 0.00 0.56 1.43 5.08 -1.51 -2.15 114.58 117.99 3huz h GLU 5 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3huz h GLU 5 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3huz h GLU 5 CO 0.00 0.00 -0.27 0.28 -1.00 0.00 0.00 179.01 178.02 3huz h VAL 6 N 0.00 0.00 -0.84 3.13 2.07 -0.13 2.62 116.25 123.10 3huz h VAL 6 Ca 0.33 -0.06 0.19 0.00 0.82 0.00 0.00 66.70 67.98 3huz h VAL 6 Cb 1.84 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 3huz h VAL 6 CO -0.00 0.00 0.57 0.08 0.02 0.00 0.00 177.57 178.23 3huz h ARG 7 N -0.81 0.32 0.71 1.57 0.11 -1.22 0.23 114.38 115.29 3huz h ARG 7 Ca -0.08 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 3huz h ARG 7 Cb 0.57 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.59 3huz h ARG 7 CO 0.13 0.21 -0.34 0.87 0.10 0.00 0.00 179.97 180.94 3huz h LYS 8 N 0.33 -0.92 -0.80 0.08 1.79 -0.97 0.77 116.57 116.86 3huz h LYS 8 Ca 0.43 0.06 0.17 0.00 -2.18 0.00 0.00 60.65 59.13 3huz h LYS 8 Cb 1.15 0.21 -0.15 0.00 -1.58 0.00 0.00 32.23 31.86 3huz h LYS 8 CO -0.13 -0.61 -0.17 1.04 -1.08 0.00 0.00 179.45 178.50 3huz n GLN 9 N -4.68 -0.07 0.13 3.15 6.02 0.88 -0.34 117.38 122.46 3huz n GLN 9 Ca -0.12 1.23 -0.06 0.00 -0.01 0.00 0.00 57.00 58.05 3huz n GLN 9 Cb 0.38 -1.86 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 3huz n GLN 9 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3huz h LEU 10 N 0.00 -0.31 -0.79 1.08 3.38 -0.87 -1.49 115.31 116.32 3huz h LEU 10 Ca 0.39 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.57 3huz h LEU 10 Cb 0.63 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.32 3huz h LEU 10 CO -0.81 -0.06 -0.05 1.21 0.09 0.00 0.00 178.44 178.83 3huz n GLU 11 N -3.87 -0.06 -0.03 1.13 2.13 0.27 0.68 120.64 120.88 3huz n GLU 11 Ca -0.04 1.19 -0.14 0.00 0.66 0.00 0.00 57.16 58.83 3huz n GLU 11 Cb 0.14 -1.86 -0.11 0.00 0.27 0.00 0.00 31.44 29.89 3huz n GLU 11 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3huz h GLU 12 N 0.00 0.10 -0.37 5.31 4.81 -0.78 -3.30 114.58 120.36 3huz h GLU 12 Ca 0.45 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.67 3huz h GLU 12 Cb 0.86 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.17 3huz h GLU 12 CO -0.76 0.74 -0.28 0.00 -0.73 0.00 0.00 179.01 177.98 3huz h ALA 13 N 0.36 -0.11 -0.44 2.92 0.00 0.14 -2.69 119.26 119.43 3huz h ALA 13 Ca -0.01 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3huz h ALA 13 Cb 0.76 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 3huz h ALA 13 CO 0.02 -0.68 -0.09 0.54 0.00 0.00 0.00 179.25 179.03 3huz n ARG 14 N -5.41 -0.04 -2.99 0.00 5.12 0.15 0.07 116.66 113.56 3huz n ARG 14 Ca 0.01 0.69 -0.38 0.00 -1.93 0.00 0.00 57.85 56.23 3huz n ARG 14 Cb 0.32 -1.03 -0.01 0.00 -1.16 0.00 0.00 32.46 30.58 3huz n ARG 14 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3huz n LYS 15 N -4.69 4.26 0.00 5.56 2.85 -1.01 -4.69 118.16 120.44 3huz n LYS 15 Ca 0.08 -4.64 0.03 0.00 -1.05 0.00 0.00 58.31 52.73 3huz n LYS 15 Cb 0.24 -2.43 -0.00 0.00 -0.65 0.00 0.00 35.03 32.18 3huz n LYS 15 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3huz n LEU 16 N 0.76 0.83 -0.33 -5.58 -0.00 0.11 -5.05 117.00 107.74 3huz n LEU 16 Ca 0.32 -0.73 0.00 0.00 -0.00 0.00 0.00 56.01 55.60 3huz n LEU 16 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 3huz n LEU 16 CO 0.59 0.18 -0.10 -0.24 -0.00 0.00 0.00 177.39 177.82 3huz n SER 17 N -0.45 -1.94 0.19 1.96 2.88 -1.26 -2.64 113.62 112.35 3huz n SER 17 Ca 0.02 0.36 -0.07 0.00 -1.33 0.00 0.00 58.87 57.85 3huz n SER 17 Cb 0.12 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.30 3huz n SER 17 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3huz h PRO 18 N 0.11 -0.46 -0.42 -1.46 0.13 -1.98 -0.53 132.00 127.39 3huz h PRO 18 Ca 0.00 0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.24 3huz h PRO 18 Cb 0.15 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 31.32 3huz h PRO 18 CO 0.00 -0.31 0.02 0.28 -0.23 0.00 0.00 178.00 177.76 3huz h VAL 19 N -0.52 0.70 0.29 1.56 2.07 -2.02 -2.79 116.25 115.54 3huz h VAL 19 Ca -0.05 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3huz h VAL 19 Cb 0.37 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3huz h VAL 19 CO 0.08 0.02 -0.14 -0.08 0.02 0.00 0.00 177.57 177.47 3huz h GLU 20 N 0.13 -0.38 0.00 1.57 4.57 -1.74 -3.26 114.58 115.47 3huz h GLU 20 Ca 0.21 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3huz h GLU 20 Cb 0.29 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3huz h GLU 20 CO -0.33 -0.21 0.00 -0.11 -1.18 0.00 0.00 179.01 177.18 3huz n LEU 21 N -5.23 0.00 -0.31 1.64 0.00 -0.21 -2.49 117.00 110.40 3huz n LEU 21 Ca -0.10 0.73 0.01 0.00 0.00 0.00 0.00 56.01 56.65 3huz n LEU 21 Cb 0.19 -0.23 0.07 0.00 0.00 0.00 0.00 43.42 43.45 3huz n LEU 21 CO 0.35 -0.23 0.64 1.05 0.00 0.00 0.00 177.39 179.20 3huz h GLU 22 N 0.00 -0.03 -0.79 1.96 4.11 -1.67 0.15 114.58 118.30 3huz h GLU 22 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.57 3huz h GLU 22 Cb 0.00 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.12 3huz h GLU 22 CO 0.00 -0.02 -0.25 1.63 0.07 0.00 0.00 179.01 180.44 3huz n LYS 23 N -5.51 -0.12 -0.09 1.06 5.02 -1.04 0.14 118.16 117.61 3huz n LYS 23 Ca 0.11 1.23 -0.10 0.00 -2.02 0.00 0.00 58.31 57.52 3huz n LYS 23 Cb 0.41 -1.83 -0.07 0.00 -0.02 0.00 0.00 35.03 33.53 3huz n LYS 23 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3huz h LEU 24 N 0.00 -1.32 -0.68 -0.35 5.85 -0.66 -2.63 115.31 115.53 3huz h LEU 24 Ca 0.33 0.17 0.06 0.00 0.84 0.00 0.00 57.88 59.28 3huz h LEU 24 Cb 0.53 0.54 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 3huz h LEU 24 CO -0.80 -0.29 -0.40 0.52 -0.34 0.00 0.00 178.44 177.13 3huz n VAL 25 N -4.59 -0.46 -0.30 1.05 0.31 0.37 -0.40 118.33 114.31 3huz n VAL 25 Ca -0.03 1.83 -0.02 0.00 -0.01 0.00 0.00 64.34 66.11 3huz n VAL 25 Cb 0.24 -2.27 0.03 0.00 -0.91 0.00 0.00 33.84 30.93 3huz n VAL 25 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3huz h ARG 26 N 0.00 -0.07 -0.31 5.55 3.08 -1.13 0.78 114.38 122.28 3huz h ARG 26 Ca 0.11 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.23 3huz h ARG 26 Cb 0.28 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.27 3huz h ARG 26 CO -0.64 -0.04 -0.21 1.49 -1.07 0.00 0.00 179.97 179.50 3huz h GLU 27 N -0.07 -0.17 -0.43 0.04 4.57 -0.60 0.92 114.58 118.84 3huz h GLU 27 Ca 0.31 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.58 3huz h GLU 27 Cb 0.58 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.13 3huz h GLU 27 CO -0.85 -0.11 -0.09 0.87 -1.18 0.00 0.00 179.01 177.65 3huz h LYS 28 N -0.17 0.01 -0.50 1.92 1.79 0.13 0.35 116.57 120.09 3huz h LYS 28 Ca 0.16 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.57 3huz h LYS 28 Cb 0.43 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 3huz h LYS 28 CO -0.42 0.01 0.07 0.87 -1.08 0.00 0.00 179.45 178.90 3huz h LYS 29 N 0.01 0.79 -0.22 3.15 1.79 0.16 -0.41 116.57 121.84 3huz h LYS 29 Ca 0.21 -0.18 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3huz h LYS 29 Cb 0.31 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 3huz h LYS 29 CO -0.43 0.75 0.11 -0.09 -1.08 0.00 0.00 179.45 178.71 3huz h ARG 30 N 0.76 0.23 -0.57 3.15 2.43 0.29 0.48 114.38 121.15 3huz h ARG 30 Ca 0.16 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.44 3huz h ARG 30 Cb 0.35 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3huz h ARG 30 CO 0.01 0.15 0.39 0.93 -1.51 0.00 0.00 179.97 179.94 3huz h GLU 31 N 0.24 0.21 -0.08 0.20 5.08 0.42 0.11 114.58 120.76 3huz h GLU 31 Ca 0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3huz h GLU 31 Cb 0.02 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3huz h GLU 31 CO -0.06 0.14 0.03 1.25 -1.00 0.00 0.00 179.01 179.36 3huz h LEU 32 N 0.22 0.12 0.87 1.33 6.46 0.15 0.74 115.31 125.20 3huz h LEU 32 Ca 0.27 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 3huz h LEU 32 Cb 0.77 -0.03 0.01 0.00 -0.73 0.00 0.00 40.66 40.67 3huz h LEU 32 CO -0.05 0.30 -0.42 -0.03 -0.62 0.00 0.00 178.44 177.62 3huz h MET 33 N -0.06 -1.12 -0.94 1.25 4.05 0.99 0.42 114.93 119.51 3huz h MET 33 Ca 0.03 0.08 0.23 0.00 -0.28 0.00 0.00 59.70 59.75 3huz h MET 33 Cb 0.22 0.26 -0.12 0.00 -0.80 0.00 0.00 31.60 31.15 3huz h MET 33 CO -0.00 -0.74 0.49 1.49 0.23 0.00 0.00 176.91 178.38 3huz h GLU 34 N -1.26 0.49 -0.40 0.39 4.57 -1.27 0.16 114.58 117.27 3huz h GLU 34 Ca -0.12 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.00 3huz h GLU 34 Cb 0.90 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 3huz h GLU 34 CO 0.20 0.32 0.13 -0.07 -1.18 0.00 0.00 179.01 178.41 3huz h LEU 35 N 0.50 0.57 0.07 1.64 3.38 -0.23 -2.34 115.31 118.90 3huz h LEU 35 Ca 0.59 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3huz h LEU 35 Cb 1.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3huz h LEU 35 CO -0.49 0.62 -0.05 0.03 0.09 0.00 0.00 178.44 178.64 3huz h ARG 36 N 0.49 -0.12 -0.99 1.13 3.08 0.24 -2.67 114.38 115.54 3huz h ARG 36 Ca 0.13 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.39 3huz h ARG 36 Cb 0.25 0.03 -0.19 0.00 0.08 0.00 0.00 29.97 30.14 3huz h ARG 36 CO -0.01 -0.08 -0.24 0.74 -1.07 0.00 0.00 179.97 179.32 3huz h PHE 37 N -0.13 -0.51 -0.06 3.04 -1.00 -0.53 0.35 116.94 118.10 3huz h PHE 37 Ca -0.00 0.09 0.04 0.00 2.81 0.00 0.00 57.97 60.91 3huz h PHE 37 Cb 0.12 0.38 -0.06 0.00 3.61 0.00 0.00 35.95 40.00 3huz h PHE 37 CO -0.09 -0.43 -0.36 1.96 -1.61 0.00 0.00 178.31 177.78 3huz h GLN 38 N 0.00 -0.47 -0.21 1.51 1.08 -1.07 -2.27 115.11 113.68 3huz h GLN 38 Ca 0.48 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.76 3huz h GLN 38 Cb 0.74 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 28.23 3huz h GLN 38 CO -1.02 -0.31 -0.10 0.00 -0.95 0.00 0.00 178.83 176.46 3huz h ALA 39 N 0.20 0.08 -1.22 3.87 0.00 -0.36 -2.26 119.26 119.58 3huz h ALA 39 Ca 0.07 0.08 0.36 0.00 0.00 0.00 0.00 54.91 55.42 3huz h ALA 39 Cb 0.60 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 3huz h ALA 39 CO -0.33 -0.52 0.81 0.66 0.00 0.00 0.00 179.25 179.87 3huz h SER 40 N -0.07 0.27 -0.99 0.00 4.64 -0.35 1.56 113.55 118.61 3huz h SER 40 Ca 0.11 0.08 -0.54 0.00 -0.47 0.00 0.00 61.79 60.98 3huz h SER 40 Cb 0.24 0.05 -0.31 0.00 -0.31 0.00 0.00 62.40 62.08 3huz h SER 40 CO -0.26 -0.03 0.68 2.30 -0.87 0.00 0.00 176.83 178.65 3huz n ILE 41 N -4.54 3.26 0.00 0.95 -5.35 -0.85 -4.99 119.36 107.85 3huz n ILE 41 Ca 0.31 -2.07 0.00 0.00 -0.27 0.00 0.00 62.75 60.72 3huz n ILE 41 Cb 1.20 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 3huz n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3huz n GLY 42 N -1.12 0.48 3.19 3.28 0.00 0.53 -4.25 105.19 107.31 3huz n GLY 42 Ca 0.60 0.35 -0.09 0.00 0.00 0.00 0.00 46.02 46.89 3huz n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3huz n GLN 43 N 0.00 0.02 0.00 1.61 7.27 -1.26 -2.81 117.38 122.21 3huz n GLN 43 Ca 0.00 -0.51 0.00 0.00 0.07 0.00 0.00 57.00 56.56 3huz n GLN 43 Cb 0.00 -1.85 0.00 0.00 2.41 0.00 0.00 30.24 30.80 3huz n GLN 43 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3huz n LEU 44 N 8.38 0.00 -4.96 1.69 -0.00 -1.26 -5.01 117.00 115.84 3huz n LEU 44 Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.91 3huz n LEU 44 Cb 0.43 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.87 3huz n LEU 44 CO 0.55 0.00 0.17 -0.55 -0.00 0.00 0.00 177.39 177.55 3huz s SER 45 N -0.80 4.75 -0.39 1.96 0.15 -1.12 -4.77 113.70 113.48 3huz s SER 45 Ca 0.00 -1.16 0.03 0.00 0.70 0.00 0.00 55.95 55.52 3huz s SER 45 Cb 0.00 0.49 0.16 0.00 -1.71 0.00 0.00 66.02 64.96 3huz s SER 45 CO 0.00 -1.25 0.36 -1.10 1.20 0.00 0.00 173.24 172.45 3huz s GLN 46 N -4.44 0.72 0.00 5.44 -1.52 -1.26 -4.95 119.66 113.65 3huz s GLN 46 Ca 0.43 -1.29 0.00 0.00 -1.95 0.00 0.00 55.36 52.55 3huz s GLN 46 Cb -0.03 -0.96 0.00 0.00 -0.22 0.00 0.00 33.01 31.80 3huz s GLN 46 CO 0.27 -1.26 0.00 0.09 -0.25 0.00 0.00 175.29 174.14 3huz n ASN 47 N 3.74 0.00 -0.26 5.90 4.13 -1.26 -0.92 115.26 126.59 3huz n ASN 47 Ca 0.16 0.00 0.20 0.00 1.68 0.00 0.00 54.58 56.62 3huz n ASN 47 Cb 0.45 0.00 0.31 0.00 -1.54 0.00 0.00 39.78 38.99 3huz n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3huz n HIS 48 N 0.00 0.00 -0.18 3.10 1.44 -1.26 0.13 115.22 118.45 3huz n HIS 48 Ca 0.00 0.00 0.28 0.00 -2.01 0.00 0.00 57.72 55.99 3huz n HIS 48 Cb 0.00 -0.18 0.71 0.00 0.12 0.00 0.00 29.99 30.64 3huz n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3huz h LYS 49 N 0.00 0.02 0.00 -1.40 1.79 -1.46 -0.24 116.57 115.29 3huz h LYS 49 Ca 0.35 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3huz h LYS 49 Cb 1.42 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.06 3huz h LYS 49 CO -0.00 0.02 -0.47 -0.89 -1.08 0.00 0.00 179.45 177.03 3huz n ILE 50 N -4.28 1.32 -0.29 1.86 5.41 0.35 -2.89 119.36 120.83 3huz n ILE 50 Ca 0.19 0.24 0.06 0.00 1.00 0.00 0.00 62.75 64.23 3huz n ILE 50 Cb 0.95 -2.33 0.20 0.00 -0.71 0.00 0.00 39.64 37.75 3huz n ILE 50 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 3huz h ARG 51 N -0.93 0.67 -0.59 0.38 0.11 -1.69 0.40 114.38 112.72 3huz h ARG 51 Ca 0.00 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 59.99 3huz h ARG 51 Cb 0.47 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.37 3huz h ARG 51 CO 0.00 0.44 0.16 0.22 0.10 0.00 0.00 179.97 180.89 3huz h ASP 52 N 0.69 0.88 -0.34 0.08 3.58 -1.23 -1.14 116.42 118.94 3huz h ASP 52 Ca 0.44 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 3huz h ASP 52 Cb 0.55 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 3huz h ASP 52 CO -0.32 0.87 0.17 0.25 -2.88 0.00 0.00 179.24 177.33 3huz h LEU 53 N 0.85 0.48 -0.02 2.28 6.46 -0.78 -2.50 115.31 122.07 3huz h LEU 53 Ca 0.19 -0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 3huz h LEU 53 Cb 0.32 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 3huz h LEU 53 CO -0.00 0.43 -0.04 0.11 -0.62 0.00 0.00 178.44 178.32 3huz h LYS 54 N 0.54 -0.06 -0.05 1.25 1.57 0.91 -2.78 116.57 117.95 3huz h LYS 54 Ca 0.13 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3huz h LYS 54 Cb 0.09 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3huz h LYS 54 CO -0.02 -0.04 -0.04 0.00 -0.57 0.00 0.00 179.45 178.78 3huz h ARG 55 N -0.06 -0.05 -0.91 3.15 -0.00 -0.99 -2.15 114.38 113.37 3huz h ARG 55 Ca 0.03 0.00 0.25 0.00 -0.50 0.00 0.00 59.98 59.76 3huz h ARG 55 Cb 0.10 0.01 -0.16 0.00 0.00 0.00 0.00 29.97 29.92 3huz h ARG 55 CO -0.06 -0.03 0.13 1.96 0.00 0.00 0.00 179.97 181.96 3huz h GLN 56 N -0.05 0.10 0.00 0.04 4.20 -1.33 0.23 115.11 118.30 3huz h GLN 56 Ca 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3huz h GLN 56 Cb 0.11 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3huz h GLN 56 CO -0.09 0.07 0.00 -0.89 -0.67 0.00 0.00 178.83 177.25 3huz n ILE 57 N -5.35 0.00 0.00 2.54 2.08 -0.83 -2.59 119.36 115.20 3huz n ILE 57 Ca 0.22 1.24 0.00 0.00 0.56 0.00 0.00 62.75 64.77 3huz n ILE 57 Cb 0.71 -2.03 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 3huz n ILE 57 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3huz n ALA 58 N -1.53 0.00 -0.27 -1.39 0.00 0.02 0.11 120.51 117.45 3huz n ALA 58 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3huz n ALA 58 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 3huz n ALA 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3huz n ARG 59 N -1.49 -0.22 -0.31 0.00 1.74 -0.90 0.25 116.66 115.74 3huz n ARG 59 Ca 0.00 1.04 0.11 0.00 -0.77 0.00 0.00 57.85 58.23 3huz n ARG 59 Cb 0.00 -1.54 0.28 0.00 -1.02 0.00 0.00 32.46 30.18 3huz n ARG 59 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3huz h LEU 60 N 0.00 0.46 0.15 0.55 3.38 0.11 0.83 115.31 120.79 3huz h LEU 60 Ca 0.18 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3huz h LEU 60 Cb 0.35 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3huz h LEU 60 CO -0.66 0.11 -0.07 -0.07 0.09 0.00 0.00 178.44 177.84 3huz h LEU 61 N 0.52 -0.18 -0.07 1.67 3.38 0.38 0.35 115.31 121.36 3huz h LEU 61 Ca 0.53 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3huz h LEU 61 Cb 0.90 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 3huz h LEU 61 CO -0.45 0.32 -0.42 0.74 0.09 0.00 0.00 178.44 178.72 3huz h THR 62 N -0.74 0.00 -0.37 0.22 2.02 -0.21 1.29 112.91 115.12 3huz h THR 62 Ca -0.02 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.24 3huz h THR 62 Cb 0.52 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.85 3huz h THR 62 CO 0.03 0.00 -0.21 0.58 0.37 0.00 0.00 175.52 176.29 3huz h VAL 63 N -0.48 0.40 -0.70 3.16 2.07 -0.93 0.52 116.25 120.31 3huz h VAL 63 Ca 0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.69 3huz h VAL 63 Cb 0.54 0.40 -0.13 0.00 -1.52 0.00 0.00 31.29 30.59 3huz h VAL 63 CO -0.32 0.00 -0.10 0.25 0.02 0.00 0.00 177.57 177.42 3huz h LEU 64 N -0.15 -0.50 0.30 2.57 7.12 0.13 0.76 115.31 125.53 3huz h LEU 64 Ca 0.18 0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.38 3huz h LEU 64 Cb 0.44 0.38 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 3huz h LEU 64 CO -0.47 -0.20 -0.14 0.78 -0.13 0.00 0.00 178.44 178.28 3huz h ASN 65 N 0.04 -0.34 -0.35 1.25 4.21 0.62 -2.30 115.58 118.72 3huz h ASN 65 Ca 0.35 -0.10 0.10 0.00 1.21 0.00 0.00 56.30 57.87 3huz h ASN 65 Cb 0.57 0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.85 3huz h ASN 65 CO -0.67 -0.10 0.30 1.05 -1.29 0.00 0.00 177.43 176.72 3huz h GLU 66 N -0.56 0.00 -0.04 0.81 4.11 0.20 0.39 114.58 119.48 3huz h GLU 66 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 3huz h GLU 66 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3huz h GLU 66 CO 0.07 0.00 -0.26 0.87 0.07 0.00 0.00 179.01 179.76 3huz h LYS 67 N 0.00 0.08 0.04 1.06 1.79 -0.30 -2.83 116.57 116.41 3huz h LYS 67 Ca 0.16 -0.02 -0.25 0.00 -2.18 0.00 0.00 60.65 58.36 3huz h LYS 67 Cb 0.76 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 3huz h LYS 67 CO -0.00 0.34 -1.23 0.00 -1.08 0.00 0.00 179.45 177.47 3huz h ARG 68 N 0.07 0.09 -1.82 3.15 2.47 -0.01 -3.25 114.38 115.08 3huz h ARG 68 Ca 0.01 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 3huz h ARG 68 Cb 0.50 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3huz h ARG 68 CO 0.04 0.99 0.00 0.54 0.56 0.00 0.00 179.97 182.09 3huz n ARG 69 N -3.36 0.63 0.00 0.04 1.74 -0.87 -3.35 116.66 111.49 3huz n ARG 69 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3huz n ARG 69 Cb 0.99 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 3huz n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3huz n GLN 70 N 1.40 0.00 0.14 5.56 10.64 -1.25 -5.00 117.38 128.86 3huz n GLN 70 Ca 0.00 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.94 3huz n GLN 70 Cb 0.32 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.54 3huz n GLN 70 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 3huz h ASN 71 N 0.00 0.77 0.00 2.61 -0.73 -1.59 -3.53 115.58 113.11 3huz h ASN 71 Ca 0.00 -0.82 0.00 0.00 1.87 0.00 0.00 56.30 57.35 3huz h ASN 71 Cb 0.00 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.34 3huz h ASN 71 CO 0.00 1.65 0.00 0.00 -0.37 0.00 0.00 177.43 178.71