#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oj6 n PRO 4 N 0.00 2.27 -1.45 2.89 -0.02 -1.26 -4.79 135.00 132.65 1oj6 n PRO 4 Ca 0.00 0.82 -0.51 0.00 -2.02 0.00 0.00 63.50 61.80 1oj6 n PRO 4 Cb 0.00 -2.64 -0.07 0.00 -0.02 0.00 0.00 33.50 30.77 1oj6 n PRO 4 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1oj6 n GLU 5 N 4.89 1.08 -0.19 -0.52 4.07 -1.26 -4.82 120.64 123.89 1oj6 n GLU 5 Ca 0.19 0.29 0.01 0.00 -0.06 0.00 0.00 57.16 57.59 1oj6 n GLU 5 Cb 0.30 -2.46 0.10 0.00 -0.06 0.00 0.00 31.44 29.32 1oj6 n GLU 5 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1oj6 h PRO 6 N 12.36 0.19 -0.33 5.31 0.11 -1.92 -2.50 132.00 145.22 1oj6 h PRO 6 Ca -0.27 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1oj6 h PRO 6 Cb 1.32 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1oj6 h PRO 6 CO 1.02 0.12 0.03 1.49 -0.21 0.00 0.00 178.00 180.45 1oj6 h GLU 7 N 0.19 0.49 -0.49 1.05 4.57 -1.98 0.24 114.58 118.65 1oj6 h GLU 7 Ca 0.31 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.27 1oj6 h GLU 7 Cb 0.48 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1oj6 h GLU 7 CO -0.44 0.49 -0.20 -0.07 -1.18 0.00 0.00 179.01 177.60 1oj6 h LEU 8 N 0.47 1.01 0.09 1.64 3.38 -1.85 -0.86 115.31 119.20 1oj6 h LEU 8 Ca 0.11 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1oj6 h LEU 8 Cb 0.26 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1oj6 h LEU 8 CO 0.00 1.17 -0.04 0.40 0.09 0.00 0.00 178.44 180.06 1oj6 h ILE 9 N 0.85 1.11 -0.25 1.22 1.08 -0.97 -2.68 117.51 117.87 1oj6 h ILE 9 Ca 0.11 -0.80 -0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1oj6 h ILE 9 Cb 0.78 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 36.13 1oj6 h ILE 9 CO 0.06 0.19 0.15 0.03 -0.69 0.00 0.00 178.15 177.90 1oj6 h ARG 10 N -0.50 0.34 -0.13 2.37 3.08 -0.53 0.03 114.38 119.04 1oj6 h ARG 10 Ca -0.01 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 1oj6 h ARG 10 Cb 0.41 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1oj6 h ARG 10 CO 0.02 0.28 -0.42 -0.56 -1.07 0.00 0.00 179.97 178.22 1oj6 h GLN 11 N 0.31 0.29 -0.05 0.04 3.07 -1.24 -2.24 115.11 115.30 1oj6 h GLN 11 Ca 0.09 -0.14 -0.23 0.00 0.09 0.00 0.00 58.65 58.46 1oj6 h GLN 11 Cb 0.02 -0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.59 1oj6 h GLN 11 CO -0.02 0.66 -0.91 0.66 0.09 0.00 0.00 178.83 179.31 1oj6 h SER 12 N 0.24 0.76 -0.22 0.06 4.64 -1.33 -3.20 113.55 114.50 1oj6 h SER 12 Ca 0.02 -0.56 -0.05 0.00 -0.47 0.00 0.00 61.79 60.73 1oj6 h SER 12 Cb 0.84 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1oj6 h SER 12 CO 0.07 1.36 0.01 -0.25 -0.87 0.00 0.00 176.83 177.14 1oj6 h TRP 13 N 0.37 0.52 0.00 4.77 -0.00 -0.81 -2.65 115.95 118.15 1oj6 h TRP 13 Ca -0.08 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.89 58.76 1oj6 h TRP 13 Cb 1.54 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 30.55 1oj6 h TRP 13 CO 0.08 0.51 -0.00 0.07 -0.00 0.00 0.00 178.44 179.09 1oj6 h ARG 14 N 0.48 0.00 -0.18 2.65 0.11 -1.40 0.20 114.38 116.24 1oj6 h ARG 14 Ca 0.11 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.05 1oj6 h ARG 14 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1oj6 h ARG 14 CO 0.01 0.00 -0.41 0.00 0.10 0.00 0.00 179.97 179.67 1oj6 h ALA 15 N 2.00 0.29 0.03 0.08 0.00 -1.60 -3.21 119.26 116.85 1oj6 h ALA 15 Ca -0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 1oj6 h ALA 15 Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1oj6 h ALA 15 CO 0.00 0.40 -1.66 -0.39 0.00 0.00 0.00 179.25 177.60 1oj6 h VAL 16 N 0.26 0.93 0.00 0.00 -1.51 -1.25 -3.35 116.25 111.33 1oj6 h VAL 16 Ca -0.00 -2.73 0.00 0.00 -1.23 0.00 0.00 66.70 62.74 1oj6 h VAL 16 Cb 1.01 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.69 1oj6 h VAL 16 CO 0.09 0.63 0.00 0.77 -1.23 0.00 0.00 177.57 177.83 1oj6 h SER 17 N 0.02 0.00 0.55 4.19 4.64 -0.81 -2.29 113.55 119.86 1oj6 h SER 17 Ca -0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 1oj6 h SER 17 Cb 1.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.08 1oj6 h SER 17 CO 0.09 0.00 -0.31 0.03 -0.87 0.00 0.00 176.83 175.77 1oj6 h ARG 18 N 0.00 -0.78 -2.99 4.77 3.08 -1.68 -3.34 114.38 113.43 1oj6 h ARG 18 Ca 0.00 0.05 -0.62 0.00 0.07 0.00 0.00 59.98 59.49 1oj6 h ARG 18 Cb 0.25 0.18 -0.42 0.00 0.08 0.00 0.00 29.97 30.06 1oj6 h ARG 18 CO 0.00 -0.52 -0.59 0.43 -1.07 0.00 0.00 179.97 178.22 1oj6 n SER 19 N -5.46 2.97 -0.16 7.04 7.64 -0.87 -4.97 113.62 119.81 1oj6 n SER 19 Ca -0.12 -3.21 -0.04 0.00 1.01 0.00 0.00 58.87 56.52 1oj6 n SER 19 Cb 0.35 -0.75 0.06 0.00 -1.01 0.00 0.00 64.21 62.86 1oj6 n SER 19 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1oj6 h PRO 20 N 5.29 0.41 -0.12 1.43 0.13 -1.67 -2.52 132.00 134.94 1oj6 h PRO 20 Ca 0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1oj6 h PRO 20 Cb 0.75 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1oj6 h PRO 20 CO 0.72 0.27 0.08 1.25 -0.23 0.00 0.00 178.00 180.08 1oj6 h LEU 21 N 0.42 0.14 -0.20 1.56 5.85 -1.93 0.61 115.31 121.76 1oj6 h LEU 21 Ca 0.23 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1oj6 h LEU 21 Cb 0.20 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1oj6 h LEU 21 CO -0.20 0.13 0.12 -0.08 -0.34 0.00 0.00 178.44 178.06 1oj6 h GLU 22 N 0.14 0.26 -0.46 1.25 4.57 -1.93 -1.04 114.58 117.39 1oj6 h GLU 22 Ca 0.04 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.09 1oj6 h GLU 22 Cb 0.01 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1oj6 h GLU 22 CO -0.01 0.20 -0.15 0.45 -1.18 0.00 0.00 179.01 178.32 1oj6 h HIS 23 N 0.25 0.97 -0.94 0.92 3.86 -1.29 -2.74 115.15 116.18 1oj6 h HIS 23 Ca 0.07 -0.20 0.04 0.00 -1.16 0.00 0.00 60.37 59.12 1oj6 h HIS 23 Cb 0.00 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.18 1oj6 h HIS 23 CO -0.06 0.96 0.62 0.78 0.86 0.00 0.00 177.93 181.09 1oj6 h GLY 24 N 0.96 1.37 0.95 2.45 0.00 0.44 -1.40 103.07 107.84 1oj6 h GLY 24 Ca 0.12 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1oj6 h GLY 24 CO 0.05 0.38 0.18 -0.84 0.00 0.00 0.00 176.54 176.31 1oj6 h THR 25 N 1.16 1.17 -0.88 4.70 2.02 -0.90 -0.90 112.91 119.27 1oj6 h THR 25 Ca 0.38 -0.49 0.07 0.00 0.77 0.00 0.00 66.41 67.14 1oj6 h THR 25 Cb 0.06 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 1oj6 h THR 25 CO -0.12 0.18 0.55 0.58 0.37 0.00 0.00 175.52 177.07 1oj6 h VAL 26 N 0.48 1.04 -0.09 3.16 2.07 -1.13 0.90 116.25 122.67 1oj6 h VAL 26 Ca 0.13 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1oj6 h VAL 26 Cb 0.12 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1oj6 h VAL 26 CO -0.02 0.18 0.05 0.25 0.02 0.00 0.00 177.57 178.05 1oj6 h LEU 27 N 0.99 0.12 -1.16 2.57 6.46 -0.81 -2.87 115.31 120.60 1oj6 h LEU 27 Ca 0.39 -0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 57.94 1oj6 h LEU 27 Cb 0.19 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1oj6 h LEU 27 CO -0.18 0.21 -0.42 -0.26 -0.62 0.00 0.00 178.44 177.17 1oj6 h PHE 28 N 0.03 0.00 -0.54 1.25 -1.00 -0.55 -0.26 116.94 115.87 1oj6 h PHE 28 Ca 0.03 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.77 1oj6 h PHE 28 Cb 0.12 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1oj6 h PHE 28 CO -0.03 0.42 0.16 0.00 -1.61 0.00 0.00 178.31 177.25 1oj6 h ALA 29 N 1.58 0.70 -0.21 2.45 0.00 -0.80 -0.58 119.26 122.42 1oj6 h ALA 29 Ca -0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1oj6 h ALA 29 Cb 0.75 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1oj6 h ALA 29 CO 0.05 0.37 -0.56 -0.09 0.00 0.00 0.00 179.25 179.02 1oj6 h ARG 30 N 0.74 0.64 -0.34 0.00 9.65 -1.26 -2.49 114.38 121.32 1oj6 h ARG 30 Ca 0.17 -0.41 -0.00 0.00 -1.10 0.00 0.00 59.98 58.64 1oj6 h ARG 30 Cb 0.28 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 1oj6 h ARG 30 CO -0.00 1.02 0.20 1.25 2.80 0.00 0.00 179.97 185.24 1oj6 h LEU 31 N 0.48 0.42 -1.18 3.80 5.85 -0.76 -1.63 115.31 122.30 1oj6 h LEU 31 Ca 0.01 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1oj6 h LEU 31 Cb 1.12 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1oj6 h LEU 31 CO 0.11 0.37 -0.15 -0.26 -0.34 0.00 0.00 178.44 178.17 1oj6 h PHE 32 N 0.44 0.42 -0.19 1.25 0.04 -1.10 0.16 116.94 117.96 1oj6 h PHE 32 Ca 0.12 -0.06 -0.11 0.00 2.80 0.00 0.00 57.97 60.72 1oj6 h PHE 32 Cb 0.03 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1oj6 h PHE 32 CO -0.03 0.53 -0.34 0.00 -0.60 0.00 0.00 178.31 177.87 1oj6 h ALA 33 N 1.49 1.07 0.12 2.45 0.00 -1.20 -1.92 119.26 121.26 1oj6 h ALA 33 Ca 0.07 -0.38 -0.27 0.00 0.00 0.00 0.00 54.91 54.32 1oj6 h ALA 33 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1oj6 h ALA 33 CO 0.03 0.58 -1.22 -0.07 0.00 0.00 0.00 179.25 178.57 1oj6 h LEU 34 N 0.34 0.39 -6.50 0.00 3.38 -0.85 -3.41 115.31 108.66 1oj6 h LEU 34 Ca 0.04 -0.41 -0.59 0.00 0.09 0.00 0.00 57.88 57.01 1oj6 h LEU 34 Cb 0.76 -0.13 -0.39 0.00 0.09 0.00 0.00 40.66 41.00 1oj6 h LEU 34 CO 0.06 1.32 -0.90 -1.61 0.09 0.00 0.00 178.44 177.40 1oj6 s GLU 35 N -2.67 0.78 0.54 1.13 2.02 0.50 -4.97 118.70 116.03 1oj6 s GLU 35 Ca -0.04 -1.76 0.23 0.00 0.02 0.00 0.00 54.97 53.42 1oj6 s GLU 35 Cb 0.07 -1.42 1.40 0.00 0.10 0.00 0.00 34.13 34.28 1oj6 s GLU 35 CO 0.88 -1.30 2.05 -1.35 0.02 0.00 0.00 175.26 175.56 1oj6 h PRO 36 N 6.31 0.00 0.00 0.39 0.11 -1.59 -2.14 132.00 135.08 1oj6 h PRO 36 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1oj6 h PRO 36 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1oj6 h PRO 36 CO 0.33 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.87 1oj6 n ASP 37 N -4.33 0.06 0.06 -2.05 8.00 -1.26 -2.39 116.55 114.63 1oj6 n ASP 37 Ca 0.05 0.52 -0.09 0.00 0.71 0.00 0.00 54.79 55.98 1oj6 n ASP 37 Cb 0.43 -0.53 -0.13 0.00 -0.02 0.00 0.00 41.12 40.88 1oj6 n ASP 37 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1oj6 h LEU 38 N 0.00 0.10 -0.62 0.64 3.38 -1.75 -3.37 115.31 113.69 1oj6 h LEU 38 Ca 0.00 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 57.98 1oj6 h LEU 38 Cb 0.11 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.71 1oj6 h LEU 38 CO 0.00 1.09 -0.16 0.25 0.09 0.00 0.00 178.44 179.71 1oj6 h LEU 39 N 0.02 -0.61 -1.70 1.67 5.85 -1.67 0.25 115.31 119.12 1oj6 h LEU 39 Ca -0.06 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1oj6 h LEU 39 Cb 1.84 0.40 0.00 0.00 0.37 0.00 0.00 40.66 43.26 1oj6 h LEU 39 CO 0.14 -0.21 0.00 -0.65 -0.34 0.00 0.00 178.44 177.38 1oj6 h PRO 40 N -0.01 0.00 0.00 5.25 0.11 -1.79 -3.06 132.00 132.50 1oj6 h PRO 40 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1oj6 h PRO 40 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1oj6 h PRO 40 CO -0.64 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.43 1oj6 n LEU 41 N -2.58 0.00 -4.38 2.35 4.77 0.89 -4.39 117.00 113.67 1oj6 n LEU 41 Ca -0.01 0.38 -0.44 0.00 -0.03 0.00 0.00 56.01 55.91 1oj6 n LEU 41 Cb 0.12 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.78 1oj6 n LEU 41 CO 0.17 -0.14 0.46 -0.36 -1.33 0.00 0.00 177.39 176.19 1oj6 s PHE 42 N -2.77 2.96 -0.25 -1.77 0.40 -1.16 -5.02 117.98 110.38 1oj6 s PHE 42 Ca 0.14 -0.92 -0.04 0.00 -0.60 0.00 0.00 56.93 55.51 1oj6 s PHE 42 Cb 0.13 -4.06 0.00 0.00 0.51 0.00 0.00 43.02 39.60 1oj6 s PHE 42 CO 0.31 -1.35 -0.00 -0.65 0.70 0.00 0.00 175.22 174.23 1oj6 s GLN 43 N 2.86 3.19 0.00 0.44 -0.21 -1.26 -4.40 119.66 120.27 1oj6 s GLN 43 Ca 0.13 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1oj6 s GLN 43 Cb -0.23 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.65 1oj6 s GLN 43 CO 0.06 -0.31 0.00 2.48 -2.12 0.00 0.00 175.29 175.40 1oj6 n TYR 44 N 4.80 0.00 0.15 0.91 0.18 -1.00 -4.70 117.16 117.49 1oj6 n TYR 44 Ca -0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.61 1oj6 n TYR 44 Cb 0.49 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.45 1oj6 n TYR 44 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1oj6 n ASN 45 N 0.00 1.73 0.00 9.48 3.02 -1.26 -4.62 115.26 123.61 1oj6 n ASN 45 Ca 0.00 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1oj6 n ASN 45 Cb 0.00 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1oj6 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oj6 n GLY 46 N 1.22 3.38 0.00 7.41 0.00 -1.26 -5.15 105.19 110.80 1oj6 n GLY 46 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1oj6 n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1oj6 n ARG 47 N 0.30 0.00 0.00 1.61 0.00 -1.26 -5.07 116.66 112.24 1oj6 n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1oj6 n ARG 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1oj6 n ARG 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1oj6 n GLN 48 N -1.99 0.65 -4.15 2.89 6.02 -1.26 -2.39 117.38 117.16 1oj6 n GLN 48 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 1oj6 n GLN 48 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 1oj6 n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1oj6 s PHE 49 N 0.22 2.95 0.36 1.08 0.08 -1.26 -4.99 117.98 116.42 1oj6 s PHE 49 Ca 0.00 -0.73 0.04 0.00 0.12 0.00 0.00 56.93 56.36 1oj6 s PHE 49 Cb 0.00 -2.04 0.71 0.00 -0.57 0.00 0.00 43.02 41.12 1oj6 s PHE 49 CO 0.00 -0.38 2.00 1.03 -0.10 0.00 0.00 175.22 177.77 1oj6 h SER 50 N 7.60 0.67 -3.79 1.36 0.87 -1.97 -3.44 113.55 114.84 1oj6 h SER 50 Ca -0.37 -0.01 -0.36 0.00 -1.23 0.00 0.00 61.79 59.83 1oj6 h SER 50 Cb 1.18 -0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 62.83 1oj6 h SER 50 CO 0.60 0.47 -0.72 -0.55 -0.53 0.00 0.00 176.83 176.10 1oj6 s SER 51 N -6.41 1.98 0.28 6.23 0.15 -1.26 -4.96 113.70 109.71 1oj6 s SER 51 Ca -0.10 -1.01 0.01 0.00 0.70 0.00 0.00 55.95 55.55 1oj6 s SER 51 Cb 0.18 -0.04 0.53 0.00 -1.71 0.00 0.00 66.02 64.98 1oj6 s SER 51 CO 0.76 -0.29 1.85 -0.65 1.20 0.00 0.00 173.24 176.11 1oj6 h PRO 52 N 2.74 1.00 -0.16 5.44 0.11 -2.00 -1.99 132.00 137.14 1oj6 h PRO 52 Ca -0.37 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.55 1oj6 h PRO 52 Cb 1.20 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1oj6 h PRO 52 CO 0.63 0.66 -0.47 0.93 -0.21 0.00 0.00 178.00 179.54 1oj6 h GLU 53 N 1.03 0.42 -0.50 1.05 3.07 -1.97 -2.90 114.58 114.78 1oj6 h GLU 53 Ca 0.48 -0.23 -0.10 0.00 -0.50 0.00 0.00 59.36 59.01 1oj6 h GLU 53 Cb 0.42 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1oj6 h GLU 53 CO -0.24 0.80 -0.09 0.22 -1.40 0.00 0.00 179.01 178.30 1oj6 h ASP 54 N 0.34 0.94 -0.10 1.42 3.58 -1.75 -2.78 116.42 118.06 1oj6 h ASP 54 Ca 0.02 -0.35 -0.05 0.00 0.42 0.00 0.00 57.03 57.07 1oj6 h ASP 54 Cb 0.96 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 1oj6 h ASP 54 CO 0.08 1.07 -0.06 0.77 -2.88 0.00 0.00 179.24 178.22 1oj6 h SER 55 N 0.80 0.35 0.00 2.28 4.64 -1.37 -1.64 113.55 118.61 1oj6 h SER 55 Ca 0.13 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1oj6 h SER 55 Cb 0.64 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1oj6 h SER 55 CO 0.04 0.46 0.00 -0.11 -0.87 0.00 0.00 176.83 176.35 1oj6 n LEU 56 N -4.28 0.00 -0.00 5.97 7.94 -1.05 -0.23 117.00 125.35 1oj6 n LEU 56 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.93 1oj6 n LEU 56 Cb 0.25 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.16 1oj6 n LEU 56 CO 0.38 0.00 -0.57 -1.20 -1.11 0.00 0.00 177.39 174.89 1oj6 n SER 57 N -0.62 3.75 -4.72 1.96 7.64 -0.62 -4.94 113.62 116.08 1oj6 n SER 57 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 1oj6 n SER 57 Cb 0.01 1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 64.40 1oj6 n SER 57 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1oj6 s SER 58 N -2.68 6.98 0.26 6.43 0.15 0.68 -4.94 113.70 120.59 1oj6 s SER 58 Ca -0.02 2.19 -0.02 0.00 0.70 0.00 0.00 55.95 58.80 1oj6 s SER 58 Cb 0.03 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 62.22 1oj6 s SER 58 CO 0.23 -0.52 1.84 -0.65 1.20 0.00 0.00 173.24 175.33 1oj6 h PRO 59 N 6.46 0.94 -0.53 5.44 0.11 -1.95 -0.71 132.00 141.76 1oj6 h PRO 59 Ca -0.42 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1oj6 h PRO 59 Cb 1.21 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1oj6 h PRO 59 CO 0.82 0.62 0.21 1.05 -0.21 0.00 0.00 178.00 180.49 1oj6 h GLU 60 N 0.97 0.79 -0.40 1.05 4.11 -1.93 -0.61 114.58 118.56 1oj6 h GLU 60 Ca 0.45 -0.15 -0.08 0.00 0.07 0.00 0.00 59.36 59.65 1oj6 h GLU 60 Cb 0.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1oj6 h GLU 60 CO -0.24 0.70 -0.05 0.35 0.07 0.00 0.00 179.01 179.84 1oj6 h PHE 61 N 0.71 0.82 -0.59 2.06 3.57 -1.57 -0.55 116.94 121.40 1oj6 h PHE 61 Ca 0.18 -0.16 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1oj6 h PHE 61 Cb 0.21 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1oj6 h PHE 61 CO 0.01 0.85 0.06 -0.07 -2.23 0.00 0.00 178.31 176.93 1oj6 h LEU 62 N 0.56 0.97 -1.52 0.59 3.38 -1.10 -1.94 115.31 116.25 1oj6 h LEU 62 Ca 0.11 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1oj6 h LEU 62 Cb 0.55 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1oj6 h LEU 62 CO 0.03 1.01 0.34 0.44 0.09 0.00 0.00 178.44 180.35 1oj6 h ASP 63 N 0.90 0.56 -0.20 -0.43 3.32 -0.85 -1.36 116.42 118.36 1oj6 h ASP 63 Ca 0.18 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 1oj6 h ASP 63 Cb 0.47 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1oj6 h ASP 63 CO 0.02 0.40 -0.28 -0.74 -1.72 0.00 0.00 179.24 176.92 1oj6 h HIS 64 N 0.66 0.78 -0.20 4.55 2.76 -0.39 -1.92 115.15 121.40 1oj6 h HIS 64 Ca 0.19 -0.19 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1oj6 h HIS 64 Cb -0.02 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 28.70 1oj6 h HIS 64 CO -0.00 0.89 -0.18 0.82 -1.30 0.00 0.00 177.93 178.16 1oj6 h ILE 65 N 0.59 0.52 -0.63 6.26 1.08 -0.54 -0.08 117.51 124.71 1oj6 h ILE 65 Ca 0.07 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.61 1oj6 h ILE 65 Cb 0.78 0.52 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 1oj6 h ILE 65 CO 0.06 0.00 0.32 0.03 -0.69 0.00 0.00 178.15 177.87 1oj6 h ARG 66 N -0.19 0.56 -0.52 2.37 3.08 -1.28 -1.16 114.38 117.24 1oj6 h ARG 66 Ca 0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1oj6 h ARG 66 Cb 0.37 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1oj6 h ARG 66 CO -0.31 0.37 0.28 0.87 -1.07 0.00 0.00 179.97 180.12 1oj6 h LYS 67 N 0.58 0.73 -0.14 0.04 1.57 -0.62 -0.75 116.57 117.98 1oj6 h LYS 67 Ca 0.29 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1oj6 h LYS 67 Cb 0.24 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1oj6 h LYS 67 CO -0.21 0.56 0.04 0.28 -0.57 0.00 0.00 179.45 179.55 1oj6 h VAL 68 N 0.69 0.96 0.00 0.50 2.07 -0.42 -1.79 116.25 118.27 1oj6 h VAL 68 Ca 0.18 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 1oj6 h VAL 68 Cb 0.05 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1oj6 h VAL 68 CO -0.03 0.02 -0.23 0.24 0.02 0.00 0.00 177.57 177.59 1oj6 h MET 69 N 0.11 0.00 -0.23 1.57 2.86 -0.93 -1.68 114.93 116.63 1oj6 h MET 69 Ca 0.06 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.54 1oj6 h MET 69 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1oj6 h MET 69 CO -0.07 0.23 -0.52 -0.07 1.06 0.00 0.00 176.91 177.55 1oj6 h LEU 70 N 0.00 0.71 -0.48 1.22 3.38 -0.65 0.10 115.31 119.59 1oj6 h LEU 70 Ca -0.00 -0.37 -0.17 0.00 0.09 0.00 0.00 57.88 57.43 1oj6 h LEU 70 Cb 0.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1oj6 h LEU 70 CO 0.03 1.10 -0.62 0.58 0.09 0.00 0.00 178.44 179.62 1oj6 h VAL 71 N 0.50 1.34 -0.30 1.22 2.07 -0.80 -1.20 116.25 119.08 1oj6 h VAL 71 Ca 0.02 -1.92 -0.13 0.00 0.82 0.00 0.00 66.70 65.49 1oj6 h VAL 71 Cb 1.07 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1oj6 h VAL 71 CO 0.10 0.59 -0.35 0.40 0.02 0.00 0.00 177.57 178.33 1oj6 h ILE 72 N 0.36 1.29 -0.55 4.57 2.04 -1.24 -2.21 117.51 121.78 1oj6 h ILE 72 Ca -0.01 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 1oj6 h ILE 72 Cb 1.17 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 1oj6 h ILE 72 CO 0.11 0.48 0.24 -0.78 0.00 0.00 0.00 178.15 178.21 1oj6 h ASP 73 N 0.56 0.70 -0.27 1.72 3.58 -0.70 -1.47 116.42 120.53 1oj6 h ASP 73 Ca 0.06 -0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 1oj6 h ASP 73 Cb 0.86 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1oj6 h ASP 73 CO 0.07 0.61 -0.29 0.00 -2.88 0.00 0.00 179.24 176.76 1oj6 h ALA 74 N 1.50 0.81 -0.57 -0.78 0.00 -0.75 -0.57 119.26 118.89 1oj6 h ALA 74 Ca 0.19 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1oj6 h ALA 74 Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1oj6 h ALA 74 CO -0.02 0.65 0.20 0.00 0.00 0.00 0.00 179.25 180.07 1oj6 h ALA 75 N 1.01 1.28 -0.25 0.00 0.00 -0.79 -0.81 119.26 119.70 1oj6 h ALA 75 Ca 0.08 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1oj6 h ALA 75 Cb 0.82 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1oj6 h ALA 75 CO 0.07 0.52 -0.16 0.28 0.00 0.00 0.00 179.25 179.96 1oj6 h VAL 76 N 0.82 1.31 0.00 0.00 2.07 -0.86 -1.21 116.25 118.37 1oj6 h VAL 76 Ca 0.19 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1oj6 h VAL 76 Cb 0.21 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1oj6 h VAL 76 CO -0.01 0.40 0.00 0.35 0.02 0.00 0.00 177.57 178.33 1oj6 n THR 77 N -4.44 0.35 -1.06 2.57 -2.24 -0.26 -2.59 114.28 106.61 1oj6 n THR 77 Ca -0.04 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 61.92 1oj6 n THR 77 Cb 0.38 -0.70 0.16 0.00 -2.10 0.00 0.00 70.33 68.07 1oj6 n THR 77 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1oj6 n ASN 78 N -1.40 2.60 0.07 3.42 3.02 -0.34 -4.79 115.26 117.85 1oj6 n ASN 78 Ca 0.08 -3.08 0.13 0.00 -0.03 0.00 0.00 54.58 51.69 1oj6 n ASN 78 Cb 0.23 -0.45 0.62 0.00 -0.61 0.00 0.00 39.78 39.57 1oj6 n ASN 78 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1oj6 h VAL 79 N 0.30 0.88 -0.00 2.41 3.04 -0.96 -0.40 116.25 121.52 1oj6 h VAL 79 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1oj6 h VAL 79 Cb 1.07 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1oj6 h VAL 79 CO 0.04 0.02 -0.07 -0.62 -1.01 0.00 0.00 177.57 175.93 1oj6 n GLU 80 N -4.46 0.71 -2.72 4.17 1.02 -1.26 -4.31 120.64 113.78 1oj6 n GLU 80 Ca 0.05 -0.18 -0.07 0.00 -0.02 0.00 0.00 57.16 56.94 1oj6 n GLU 80 Cb 0.35 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.34 1oj6 n GLU 80 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1oj6 n ASP 81 N -0.99 -2.29 0.30 1.62 2.03 -0.30 -4.94 116.55 111.98 1oj6 n ASP 81 Ca 0.16 -2.86 0.19 0.00 0.52 0.00 0.00 54.79 52.80 1oj6 n ASP 81 Cb 0.25 1.51 0.93 0.00 -0.72 0.00 0.00 41.12 43.09 1oj6 n ASP 81 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1oj6 h LEU 82 N 3.52 0.00 -1.95 -2.67 3.38 -1.37 -3.03 115.31 113.19 1oj6 h LEU 82 Ca -0.18 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.88 1oj6 h LEU 82 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1oj6 h LEU 82 CO 0.14 0.02 0.25 0.28 0.09 0.00 0.00 178.44 179.22 1oj6 h SER 83 N 0.00 0.05 0.31 -0.43 0.02 -1.95 -0.61 113.55 110.94 1oj6 h SER 83 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1oj6 h SER 83 Cb 0.26 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1oj6 h SER 83 CO 0.00 0.03 -0.09 0.77 -1.14 0.00 0.00 176.83 176.40 1oj6 h SER 84 N 0.06 0.00 0.76 3.07 4.64 -1.91 -2.15 113.55 118.02 1oj6 h SER 84 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1oj6 h SER 84 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1oj6 h SER 84 CO -0.01 0.09 -0.50 0.18 -0.87 0.00 0.00 176.83 175.72 1oj6 n LEU 85 N -3.65 0.57 -0.26 5.97 4.77 -0.24 -4.46 117.00 119.69 1oj6 n LEU 85 Ca -0.02 0.18 0.06 0.00 -0.03 0.00 0.00 56.01 56.20 1oj6 n LEU 85 Cb 0.21 -0.24 0.16 0.00 -2.33 0.00 0.00 43.42 41.22 1oj6 n LEU 85 CO 0.29 0.01 0.82 -0.33 -1.33 0.00 0.00 177.39 176.86 1oj6 h GLU 86 N 0.00 0.10 -0.16 3.23 5.08 -1.39 -0.97 114.58 120.47 1oj6 h GLU 86 Ca 0.00 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1oj6 h GLU 86 Cb 0.63 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1oj6 h GLU 86 CO 0.00 0.06 -0.43 0.93 -1.00 0.00 0.00 179.01 178.58 1oj6 h GLU 87 N 0.10 0.37 -0.15 2.33 5.08 -1.80 -0.67 114.58 119.84 1oj6 h GLU 87 Ca 0.42 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1oj6 h GLU 87 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1oj6 h GLU 87 CO -0.68 0.73 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.09 1oj6 h TYR 88 N 0.31 0.34 -0.22 4.33 3.20 -1.55 -2.80 116.97 120.58 1oj6 h TYR 88 Ca 0.03 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 1oj6 h TYR 88 Cb 0.88 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1oj6 h TYR 88 CO 0.02 0.60 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.91 1oj6 h LEU 89 N -0.02 0.37 -0.44 2.82 3.38 -1.10 -0.82 115.31 119.49 1oj6 h LEU 89 Ca 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1oj6 h LEU 89 Cb 0.50 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1oj6 h LEU 89 CO 0.02 0.56 0.19 0.00 0.09 0.00 0.00 178.44 179.30 1oj6 h ALA 90 N 1.48 0.57 -0.54 1.53 0.00 -1.08 0.17 119.26 121.40 1oj6 h ALA 90 Ca 0.06 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1oj6 h ALA 90 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1oj6 h ALA 90 CO 0.03 0.17 -0.05 1.03 0.00 0.00 0.00 179.25 180.42 1oj6 h SER 91 N 0.57 0.95 -0.83 0.00 0.87 -1.23 -1.20 113.55 112.68 1oj6 h SER 91 Ca 0.15 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 1oj6 h SER 91 Cb 0.17 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 1oj6 h SER 91 CO -0.01 1.04 0.41 0.25 -0.53 0.00 0.00 176.83 177.98 1oj6 h LEU 92 N 0.87 1.08 -0.53 2.23 5.85 -0.84 -1.11 115.31 122.87 1oj6 h LEU 92 Ca 0.15 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1oj6 h LEU 92 Cb 0.59 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1oj6 h LEU 92 CO 0.04 0.91 0.30 1.23 -0.34 0.00 0.00 178.44 180.57 1oj6 h GLY 93 N 1.18 0.79 1.03 3.75 0.00 -0.17 -2.30 103.07 107.35 1oj6 h GLY 93 Ca 0.29 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1oj6 h GLY 93 CO -0.04 0.34 0.55 -0.09 0.00 0.00 0.00 176.54 177.30 1oj6 h ARG 94 N 0.71 1.28 -0.61 4.80 2.43 -0.85 -0.70 114.38 121.43 1oj6 h ARG 94 Ca 0.19 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1oj6 h ARG 94 Cb 0.04 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 1oj6 h ARG 94 CO -0.03 0.90 0.26 -0.22 -1.51 0.00 0.00 179.97 179.37 1oj6 h LYS 95 N 1.29 0.88 -0.10 0.20 1.63 -0.75 0.16 116.57 119.88 1oj6 h LYS 95 Ca 0.33 -0.13 -0.24 0.00 -0.85 0.00 0.00 60.65 59.77 1oj6 h LYS 95 Cb -0.04 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 31.44 1oj6 h LYS 95 CO -0.06 0.71 -0.86 0.45 -3.45 0.00 0.00 179.45 176.24 1oj6 h HIS 96 N 0.87 1.04 -0.95 1.91 3.86 -1.00 -2.94 115.15 117.94 1oj6 h HIS 96 Ca 0.21 -0.49 0.03 0.00 -1.16 0.00 0.00 60.37 58.95 1oj6 h HIS 96 Cb 0.15 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 1oj6 h HIS 96 CO 0.01 1.32 0.63 -0.09 0.86 0.00 0.00 177.93 180.66 1oj6 h ARG 97 N 0.48 1.19 -0.16 2.45 2.43 -0.71 -1.63 114.38 118.44 1oj6 h ARG 97 Ca -0.08 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1oj6 h ARG 97 Cb 1.50 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1oj6 h ARG 97 CO 0.17 0.79 0.02 0.00 -1.51 0.00 0.00 179.97 179.44 1oj6 h ALA 98 N 1.43 1.73 -0.28 2.80 0.00 -0.81 -2.42 119.26 121.72 1oj6 h ALA 98 Ca 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1oj6 h ALA 98 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1oj6 h ALA 98 CO -0.10 0.21 0.00 1.33 0.00 0.00 0.00 179.25 180.69 1oj6 n VAL 99 N -4.42 0.36 0.00 0.00 0.24 -0.89 -4.94 118.33 108.68 1oj6 n VAL 99 Ca -0.01 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 1oj6 n VAL 99 Cb 0.15 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 1oj6 n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oj6 n GLY 100 N 1.33 0.81 3.73 7.63 0.00 -0.91 -5.03 105.19 112.74 1oj6 n GLY 100 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1oj6 n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oj6 s VAL 101 N -2.00 4.54 0.22 1.61 1.01 -0.67 -5.01 120.40 120.10 1oj6 s VAL 101 Ca 0.00 2.05 -0.20 0.00 0.00 0.00 0.00 61.98 63.83 1oj6 s VAL 101 Cb 0.00 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 1oj6 s VAL 101 CO 0.00 0.31 0.72 -0.54 0.00 0.00 0.00 175.10 175.59 1oj6 s LYS 102 N 0.07 4.25 0.47 2.72 -0.14 -1.26 -4.20 119.74 121.65 1oj6 s LYS 102 Ca 0.47 0.86 0.18 0.00 -1.36 0.00 0.00 55.97 56.11 1oj6 s LYS 102 Cb -0.23 -2.89 1.17 0.00 -1.68 0.00 0.00 37.83 34.20 1oj6 s LYS 102 CO 0.29 0.40 2.00 1.25 -0.76 0.00 0.00 175.35 178.54 1oj6 h LEU 103 N 3.44 0.22 -1.87 3.17 5.85 -1.97 -1.19 115.31 122.96 1oj6 h LEU 103 Ca -0.48 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1oj6 h LEU 103 Cb 1.19 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1oj6 h LEU 103 CO 0.65 0.13 -0.11 0.77 -0.34 0.00 0.00 178.44 179.54 1oj6 h SER 104 N 0.24 0.00 0.47 1.25 4.64 -2.03 -1.58 113.55 116.54 1oj6 h SER 104 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 1oj6 h SER 104 Cb 0.63 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1oj6 h SER 104 CO -0.05 0.11 -0.04 0.28 -0.87 0.00 0.00 176.83 176.26 1oj6 h SER 105 N 0.00 0.00 1.32 4.97 0.02 -1.61 -1.63 113.55 116.62 1oj6 h SER 105 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1oj6 h SER 105 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1oj6 h SER 105 CO 0.01 0.04 0.00 -0.26 -1.14 0.00 0.00 176.83 175.49 1oj6 h PHE 106 N 0.00 0.00 -0.09 3.45 -1.00 -1.43 -1.53 116.94 116.34 1oj6 h PHE 106 Ca -0.00 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.56 1oj6 h PHE 106 Cb 0.29 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.86 1oj6 h PHE 106 CO 0.00 0.00 -0.84 0.77 -1.61 0.00 0.00 178.31 176.63 1oj6 h SER 107 N 0.00 0.79 -0.39 2.17 0.02 -1.43 -2.69 113.55 112.01 1oj6 h SER 107 Ca 0.00 -0.55 -0.08 0.00 -0.84 0.00 0.00 61.79 60.32 1oj6 h SER 107 Cb 0.66 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1oj6 h SER 107 CO 0.00 1.34 -0.04 0.74 -1.14 0.00 0.00 176.83 177.73 1oj6 h THR 108 N 0.42 1.25 -0.80 -2.27 2.02 -1.41 -1.73 112.91 110.39 1oj6 h THR 108 Ca -0.07 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1oj6 h THR 108 Cb 1.47 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 1oj6 h THR 108 CO 0.16 0.37 0.51 0.58 0.37 0.00 0.00 175.52 177.51 1oj6 h VAL 109 N 0.74 1.21 -0.18 3.16 2.07 -1.28 0.06 116.25 122.03 1oj6 h VAL 109 Ca 0.14 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1oj6 h VAL 109 Cb 0.50 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1oj6 h VAL 109 CO 0.03 0.21 0.12 1.23 0.02 0.00 0.00 177.57 179.17 1oj6 h GLY 110 N 1.08 0.25 0.94 2.17 0.00 -1.05 0.39 103.07 106.85 1oj6 h GLY 110 Ca 0.29 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.55 1oj6 h GLY 110 CO -0.06 0.09 0.64 0.83 0.00 0.00 0.00 176.54 178.05 1oj6 h GLU 111 N 0.23 1.22 -0.24 4.80 5.08 -0.99 -1.44 114.58 123.25 1oj6 h GLU 111 Ca 0.06 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1oj6 h GLU 111 Cb -0.02 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1oj6 h GLU 111 CO -0.01 0.81 -0.41 0.77 -1.00 0.00 0.00 179.01 179.16 1oj6 h SER 112 N 1.26 0.60 -0.43 1.42 0.02 -0.18 -2.11 113.55 114.12 1oj6 h SER 112 Ca 0.38 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1oj6 h SER 112 Cb -0.04 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1oj6 h SER 112 CO -0.11 0.94 0.14 0.25 -1.14 0.00 0.00 176.83 176.91 1oj6 h LEU 113 N 0.46 0.63 -0.50 5.07 5.85 0.37 -0.69 115.31 126.51 1oj6 h LEU 113 Ca 0.04 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1oj6 h LEU 113 Cb 0.91 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1oj6 h LEU 113 CO 0.08 0.66 0.27 -0.07 -0.34 0.00 0.00 178.44 179.04 1oj6 h LEU 114 N 0.56 0.63 -0.36 2.25 3.38 -1.17 -1.10 115.31 119.50 1oj6 h LEU 114 Ca 0.14 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1oj6 h LEU 114 Cb 0.26 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1oj6 h LEU 114 CO -0.00 0.55 0.14 0.22 0.09 0.00 0.00 178.44 179.43 1oj6 h TYR 115 N 0.67 0.24 -0.76 1.13 3.20 -1.21 0.21 116.97 120.45 1oj6 h TYR 115 Ca 0.18 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.10 1oj6 h TYR 115 Cb 0.06 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1oj6 h TYR 115 CO -0.02 0.11 0.48 1.98 -1.64 0.00 0.00 178.16 179.07 1oj6 h MET 116 N 0.29 0.88 -0.44 1.82 4.05 -0.71 -0.12 114.93 120.71 1oj6 h MET 116 Ca 0.16 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.42 1oj6 h MET 116 Cb 0.13 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1oj6 h MET 116 CO -0.16 0.59 -0.17 -0.07 0.23 0.00 0.00 176.91 177.33 1oj6 h LEU 117 N 0.91 0.84 -0.25 3.39 3.38 -0.54 -2.09 115.31 120.95 1oj6 h LEU 117 Ca 0.32 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1oj6 h LEU 117 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1oj6 h LEU 117 CO -0.13 1.01 0.16 -0.33 0.09 0.00 0.00 178.44 179.23 1oj6 h GLU 118 N 0.74 0.33 -0.64 1.13 5.08 0.05 -0.27 114.58 121.01 1oj6 h GLU 118 Ca 0.11 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1oj6 h GLU 118 Cb 0.69 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1oj6 h GLU 118 CO 0.05 0.24 0.42 0.87 -1.00 0.00 0.00 179.01 179.59 1oj6 h LYS 119 N 0.33 0.83 0.02 2.33 1.79 -0.88 -1.46 116.57 119.53 1oj6 h LYS 119 Ca 0.09 -0.05 -0.25 0.00 -2.18 0.00 0.00 60.65 58.26 1oj6 h LYS 119 Cb -0.02 -0.19 0.02 0.00 -1.58 0.00 0.00 32.23 30.47 1oj6 h LYS 119 CO -0.02 0.55 -0.99 0.66 -1.08 0.00 0.00 179.45 178.57 1oj6 h SER 120 N 0.85 0.84 0.05 0.86 4.64 -1.16 -3.38 113.55 116.25 1oj6 h SER 120 Ca 0.24 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1oj6 h SER 120 Cb -0.08 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.75 1oj6 h SER 120 CO -0.06 1.49 -1.85 0.18 -0.87 0.00 0.00 176.83 175.72 1oj6 n LEU 121 N -3.92 0.14 0.00 5.97 4.77 -0.13 -5.06 117.00 118.77 1oj6 n LEU 121 Ca -0.11 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1oj6 n LEU 121 Cb 0.86 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1oj6 n LEU 121 CO 0.54 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1oj6 n GLY 122 N 1.28 3.01 0.36 -0.72 0.00 -0.55 -1.70 105.19 106.87 1oj6 n GLY 122 Ca -0.03 -0.32 0.18 0.00 0.00 0.00 0.00 46.02 45.85 1oj6 n GLY 122 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1oj6 h PRO 123 N 0.00 0.00 0.00 1.61 0.11 -1.97 0.12 132.00 131.87 1oj6 h PRO 123 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1oj6 h PRO 123 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1oj6 h PRO 123 CO 0.00 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1oj6 h ALA 124 N 1.54 1.00 -0.91 -0.75 0.00 -1.74 -3.32 119.26 115.08 1oj6 h ALA 124 Ca 0.10 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.31 1oj6 h ALA 124 Cb 0.75 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1oj6 h ALA 124 CO -0.00 0.00 2.16 0.34 0.00 0.00 0.00 179.25 181.75 1oj6 n PHE 125 N -3.10 4.53 -1.24 0.00 7.35 0.03 -4.97 117.46 120.05 1oj6 n PHE 125 Ca -0.01 -2.95 -0.29 0.00 -0.76 0.00 0.00 57.45 53.43 1oj6 n PHE 125 Cb 0.22 -2.52 0.14 0.00 0.35 0.00 0.00 39.48 37.67 1oj6 n PHE 125 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1oj6 s THR 126 N 3.47 2.52 0.25 -2.13 -4.23 -1.25 -4.75 115.64 109.52 1oj6 s THR 126 Ca 0.51 0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 61.15 1oj6 s THR 126 Cb 0.04 -2.69 0.24 0.00 1.34 0.00 0.00 72.50 71.43 1oj6 s THR 126 CO 0.04 -0.22 1.86 -0.65 -0.54 0.00 0.00 174.62 175.11 1oj6 h PRO 127 N -1.59 1.02 -0.64 3.99 0.11 -1.93 0.84 132.00 133.80 1oj6 h PRO 127 Ca -0.51 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.48 1oj6 h PRO 127 Cb 1.30 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1oj6 h PRO 127 CO 0.56 0.68 0.13 0.00 -0.21 0.00 0.00 178.00 179.15 1oj6 h ALA 128 N 1.43 1.02 -0.45 -0.75 0.00 -1.99 -1.50 119.26 117.02 1oj6 h ALA 128 Ca 0.41 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1oj6 h ALA 128 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1oj6 h ALA 128 CO -0.18 0.63 -0.21 1.15 0.00 0.00 0.00 179.25 180.64 1oj6 h THR 129 N 0.97 1.27 -0.53 0.00 2.02 -1.67 -1.77 112.91 113.20 1oj6 h THR 129 Ca 0.20 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 1oj6 h THR 129 Cb 0.38 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1oj6 h THR 129 CO 0.01 0.47 0.29 -0.09 0.37 0.00 0.00 175.52 176.56 1oj6 h ARG 130 N 0.78 0.73 -0.58 6.66 2.43 -0.62 -1.16 114.38 122.62 1oj6 h ARG 130 Ca 0.10 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1oj6 h ARG 130 Cb 0.78 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1oj6 h ARG 130 CO 0.06 0.57 0.20 0.00 -1.51 0.00 0.00 179.97 179.30 1oj6 h ALA 131 N 1.13 0.76 -0.73 2.80 0.00 -1.17 -0.88 119.26 121.17 1oj6 h ALA 131 Ca 0.19 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1oj6 h ALA 131 Cb 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1oj6 h ALA 131 CO -0.03 0.41 0.47 0.00 0.00 0.00 0.00 179.25 180.10 1oj6 h ALA 132 N 1.06 0.95 -0.50 0.00 0.00 -1.01 -0.74 119.26 119.02 1oj6 h ALA 132 Ca 0.19 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1oj6 h ALA 132 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1oj6 h ALA 132 CO -0.01 0.29 -0.13 -1.49 0.00 0.00 0.00 179.25 177.91 1oj6 h TRP 133 N 0.94 1.05 -0.76 0.00 4.06 -0.87 -0.24 115.95 120.13 1oj6 h TRP 133 Ca 0.28 -0.22 -0.03 0.00 2.06 0.00 0.00 58.89 60.99 1oj6 h TRP 133 Cb -0.03 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 27.83 1oj6 h TRP 133 CO -0.03 1.00 0.36 0.77 -3.56 0.00 0.00 178.44 176.98 1oj6 h SER 134 N 0.84 1.00 -0.25 -3.49 0.02 -0.72 -0.20 113.55 110.75 1oj6 h SER 134 Ca 0.13 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1oj6 h SER 134 Cb 0.67 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1oj6 h SER 134 CO 0.05 0.86 -0.07 1.56 -1.14 0.00 0.00 176.83 178.09 1oj6 h GLN 135 N 1.07 0.48 0.22 3.45 4.20 -0.89 -0.28 115.11 123.35 1oj6 h GLN 135 Ca 0.26 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1oj6 h GLN 135 Cb 0.13 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1oj6 h GLN 135 CO -0.03 0.71 -0.11 1.25 -0.67 0.00 0.00 178.83 179.98 1oj6 h LEU 136 N 0.22 -0.26 -1.06 1.46 5.85 -0.87 -2.24 115.31 118.42 1oj6 h LEU 136 Ca 0.06 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 1oj6 h LEU 136 Cb 0.54 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1oj6 h LEU 136 CO 0.03 -0.16 -0.20 0.22 -0.34 0.00 0.00 178.44 177.98 1oj6 h TYR 137 N -0.32 0.47 -0.92 1.25 3.20 -1.05 -1.54 116.97 118.06 1oj6 h TYR 137 Ca -0.03 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 1oj6 h TYR 137 Cb 0.25 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1oj6 h TYR 137 CO -0.06 0.61 0.55 0.78 -1.64 0.00 0.00 178.16 178.40 1oj6 h GLY 138 N 0.97 1.35 1.31 1.82 0.00 -0.94 -1.08 103.07 106.49 1oj6 h GLY 138 Ca 0.07 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.69 1oj6 h GLY 138 CO 0.04 0.55 -0.32 0.00 0.00 0.00 0.00 176.54 176.81 1oj6 h ALA 139 N 1.30 0.77 0.00 3.60 0.00 -0.79 -1.22 119.26 122.92 1oj6 h ALA 139 Ca 0.33 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1oj6 h ALA 139 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1oj6 h ALA 139 CO -0.06 0.65 -0.00 0.28 0.00 0.00 0.00 179.25 180.12 1oj6 h VAL 140 N 0.65 1.04 -0.20 0.00 2.07 -0.82 -1.83 116.25 117.16 1oj6 h VAL 140 Ca 0.07 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1oj6 h VAL 140 Cb 0.86 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1oj6 h VAL 140 CO 0.08 0.03 -0.19 0.58 0.02 0.00 0.00 177.57 178.08 1oj6 h VAL 141 N -0.06 1.23 -0.63 2.57 2.07 -1.10 -1.55 116.25 118.79 1oj6 h VAL 141 Ca -0.00 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1oj6 h VAL 141 Cb 0.06 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1oj6 h VAL 141 CO 0.00 0.33 0.29 1.56 0.02 0.00 0.00 177.57 179.78 1oj6 h GLN 142 N 0.32 0.91 -0.72 1.57 4.20 -1.01 -1.23 115.11 119.15 1oj6 h GLN 142 Ca 0.06 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1oj6 h GLN 142 Cb 0.53 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1oj6 h GLN 142 CO 0.04 0.73 0.29 0.00 -0.67 0.00 0.00 178.83 179.22 1oj6 h ALA 143 N 1.13 0.94 -0.01 3.87 0.00 -0.68 -2.84 119.26 121.66 1oj6 h ALA 143 Ca 0.21 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1oj6 h ALA 143 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1oj6 h ALA 143 CO -0.03 0.56 -0.39 0.52 0.00 0.00 0.00 179.25 179.92 1oj6 h MET 144 N 1.04 0.02 0.00 0.00 2.86 -0.96 -2.98 114.93 114.91 1oj6 h MET 144 Ca 0.24 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1oj6 h MET 144 Cb 0.21 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1oj6 h MET 144 CO -0.02 0.41 0.00 -1.13 1.06 0.00 0.00 176.91 177.23 1oj6 n SER 145 N -4.07 0.32 0.16 1.22 3.41 -0.49 -1.13 113.62 113.03 1oj6 n SER 145 Ca -0.02 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1oj6 n SER 145 Cb 0.42 -0.67 0.52 0.00 -0.26 0.00 0.00 64.21 64.23 1oj6 n SER 145 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1oj6 h ARG 146 N 0.00 0.00 0.00 4.33 3.08 -1.64 -2.85 114.38 117.29 1oj6 h ARG 146 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1oj6 h ARG 146 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1oj6 h ARG 146 CO 0.00 0.00 -0.27 0.41 -1.07 0.00 0.00 179.97 179.04 1oj6 n GLY 147 N 0.13 -1.46 2.47 0.04 0.00 -0.29 -4.21 105.19 101.87 1oj6 n GLY 147 Ca 0.02 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1oj6 n GLY 147 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1oj6 n TRP 148 N -1.80 2.60 0.30 1.61 8.01 -1.08 -3.91 117.44 123.18 1oj6 n TRP 148 Ca 0.05 -2.91 0.04 0.00 -1.31 0.00 0.00 57.50 53.37 1oj6 n TRP 148 Cb 0.38 -2.08 0.03 0.00 -2.01 0.00 0.00 31.31 27.63 1oj6 n TRP 148 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28