#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fbh h PHE 9 N 0.00 0.92 -0.38 -0.72 3.57 -2.06 -1.61 116.94 116.66 2fbh h PHE 9 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2fbh h PHE 9 Cb 0.00 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 2fbh h PHE 9 CO 0.00 0.52 -0.04 0.78 -2.23 0.00 0.00 178.31 177.35 2fbh h GLY 10 N 0.95 0.67 1.17 2.40 0.00 -2.06 -1.89 103.07 104.32 2fbh h GLY 10 Ca 0.32 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 2fbh h GLY 10 CO -0.12 0.40 -0.18 -0.84 0.00 0.00 0.00 176.54 175.80 2fbh h THR 11 N 0.58 1.27 -0.69 4.70 2.02 -1.83 -0.78 112.91 118.18 2fbh h THR 11 Ca 0.12 -1.34 -0.06 0.00 0.77 0.00 0.00 66.41 65.90 2fbh h THR 11 Cb 0.42 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2fbh h THR 11 CO 0.02 0.46 0.19 0.25 0.37 0.00 0.00 175.52 176.81 2fbh h LEU 12 N 0.83 1.03 -0.52 2.58 5.85 -0.95 -0.28 115.31 123.86 2fbh h LEU 12 Ca 0.12 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 2fbh h LEU 12 Cb 0.75 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2fbh h LEU 12 CO 0.06 0.98 0.18 0.25 -0.34 0.00 0.00 178.44 179.57 2fbh h LEU 13 N 1.03 0.74 -0.49 2.25 5.85 -1.13 -1.19 115.31 122.37 2fbh h LEU 13 Ca 0.22 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2fbh h LEU 13 Cb 0.34 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2fbh h LEU 13 CO -0.00 0.73 -0.11 0.00 -0.34 0.00 0.00 178.44 178.72 2fbh h ALA 14 N 1.04 0.67 -0.76 1.25 0.00 -0.74 -1.22 119.26 119.49 2fbh h ALA 14 Ca 0.17 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2fbh h ALA 14 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2fbh h ALA 14 CO -0.01 0.58 0.26 1.96 0.00 0.00 0.00 179.25 182.04 2fbh h GLN 15 N 0.80 1.17 -0.23 0.00 4.20 -0.86 0.12 115.11 120.31 2fbh h GLN 15 Ca 0.13 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 2fbh h GLN 15 Cb 0.67 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2fbh h GLN 15 CO 0.05 0.98 -0.10 1.15 -0.67 0.00 0.00 178.83 180.24 2fbh h THR 16 N 1.13 1.30 -0.13 -0.54 2.02 -1.04 -0.10 112.91 115.54 2fbh h THR 16 Ca 0.25 -1.15 0.01 0.00 0.77 0.00 0.00 66.41 66.29 2fbh h THR 16 Cb 0.28 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2fbh h THR 16 CO -0.01 0.35 0.05 -1.28 0.37 0.00 0.00 175.52 175.00 2fbh h SER 17 N 0.18 0.06 -0.80 4.18 0.87 -1.14 -1.20 113.55 115.71 2fbh h SER 17 Ca 0.05 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2fbh h SER 17 Cb 0.58 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.49 2fbh h SER 17 CO 0.03 0.06 0.50 -0.09 -0.53 0.00 0.00 176.83 176.79 2fbh h ARG 18 N 0.12 0.91 -0.57 2.24 2.43 -0.67 -0.52 114.38 118.32 2fbh h ARG 18 Ca 0.05 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2fbh h ARG 18 Cb 0.03 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2fbh h ARG 18 CO -0.05 0.60 0.06 0.00 -1.51 0.00 0.00 179.97 179.07 2fbh h ALA 19 N 1.36 0.77 -0.13 2.80 0.00 -0.69 -0.13 119.26 123.24 2fbh h ALA 19 Ca 0.33 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2fbh h ALA 19 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2fbh h ALA 19 CO -0.14 0.55 -0.07 2.35 0.00 0.00 0.00 179.25 181.94 2fbh h TRP 20 N 0.87 0.31 -0.67 0.00 2.91 -0.88 -1.12 115.95 117.37 2fbh h TRP 20 Ca 0.17 -0.08 0.13 0.00 1.13 0.00 0.00 58.89 60.24 2fbh h TRP 20 Cb 0.47 -0.07 -0.13 0.00 -0.51 0.00 0.00 29.16 28.92 2fbh h TRP 20 CO 0.03 0.61 -0.21 0.00 -1.03 0.00 0.00 178.44 177.85 2fbh h ARG 21 N -0.08 -0.03 -0.64 2.65 2.47 -1.02 -0.42 114.38 117.30 2fbh h ARG 21 Ca 0.03 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2fbh h ARG 21 Cb 0.53 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 2fbh h ARG 21 CO 0.02 -0.02 0.38 0.00 0.56 0.00 0.00 179.97 180.91 2fbh h ALA 22 N 1.55 0.82 -0.43 0.04 0.00 -0.73 0.21 119.26 120.72 2fbh h ALA 22 Ca 0.31 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2fbh h ALA 22 Cb 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2fbh h ALA 22 CO -0.71 0.30 -0.01 1.49 0.00 0.00 0.00 179.25 180.32 2fbh h GLU 23 N 0.87 0.76 -0.50 0.00 4.57 -0.47 0.55 114.58 120.37 2fbh h GLU 23 Ca 0.23 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2fbh h GLU 23 Cb -0.02 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2fbh h GLU 23 CO -0.04 0.84 0.19 1.25 -1.18 0.00 0.00 179.01 180.07 2fbh h LEU 24 N 0.60 0.70 -0.93 1.64 5.85 -0.56 -0.53 115.31 122.08 2fbh h LEU 24 Ca 0.12 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2fbh h LEU 24 Cb 0.50 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2fbh h LEU 24 CO 0.02 0.68 0.60 -0.78 -0.34 0.00 0.00 178.44 178.62 2fbh h ASP 25 N 0.67 1.09 -0.21 1.25 3.58 -0.37 -0.05 116.42 122.38 2fbh h ASP 25 Ca 0.17 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.59 2fbh h ASP 25 Cb 0.21 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 2fbh h ASP 25 CO -0.01 0.81 0.10 -0.09 -2.88 0.00 0.00 179.24 177.16 2fbh h ARG 26 N 1.27 0.20 0.00 0.28 2.43 -0.56 -2.06 114.38 115.95 2fbh h ARG 26 Ca 0.34 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2fbh h ARG 26 Cb -0.11 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2fbh h ARG 26 CO -0.07 0.14 -0.00 0.00 -1.51 0.00 0.00 179.97 178.52 2fbh h ARG 27 N 0.21 0.00 -0.02 0.20 3.08 -0.51 -2.60 114.38 114.73 2fbh h ARG 27 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2fbh h ARG 27 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2fbh h ARG 27 CO -0.07 0.00 -0.02 1.28 -1.07 0.00 0.00 179.97 180.09 2fbh n LEU 28 N -3.10 2.36 0.28 3.04 4.77 -0.08 -4.63 117.00 119.64 2fbh n LEU 28 Ca 0.01 -0.79 0.19 0.00 -0.03 0.00 0.00 56.01 55.39 2fbh n LEU 28 Cb 0.31 -0.00 0.90 0.00 -2.33 0.00 0.00 43.42 42.30 2fbh n LEU 28 CO 0.27 0.40 1.05 0.77 -1.33 0.00 0.00 177.39 178.55 2fbh h SER 29 N 3.66 0.00 1.34 -1.43 4.64 -0.97 -0.89 113.55 119.91 2fbh h SER 29 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2fbh h SER 29 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2fbh h SER 29 CO 0.00 0.00 0.00 1.12 -0.87 0.00 0.00 176.83 177.08 2fbh h HIS 30 N 0.00 0.00 -0.00 4.77 2.07 -1.82 -3.19 115.15 116.98 2fbh h HIS 30 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2fbh h HIS 30 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 2fbh h HIS 30 CO 0.00 0.00 -0.21 1.28 -3.07 0.00 0.00 177.93 175.93 2fbh n LEU 31 N -2.59 0.41 -1.63 6.12 4.77 -0.34 -4.92 117.00 118.82 2fbh n LEU 31 Ca 0.04 0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 2fbh n LEU 31 Cb 0.38 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2fbh n LEU 31 CO 0.28 0.09 -0.19 0.61 -1.33 0.00 0.00 177.39 176.85 2fbh n GLY 32 N 1.40 0.25 3.29 -0.72 0.00 -1.21 -4.93 105.19 103.27 2fbh n GLY 32 Ca 0.10 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2fbh n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fbh s LEU 33 N -4.27 6.22 0.88 0.99 1.43 -1.26 -5.01 118.68 117.66 2fbh s LEU 33 Ca 0.00 -3.48 -0.12 0.00 -1.03 0.00 0.00 54.13 49.49 2fbh s LEU 33 Cb 0.00 -2.14 0.16 0.00 0.03 0.00 0.00 46.19 44.24 2fbh s LEU 33 CO 0.00 -0.31 1.22 -0.44 0.23 0.00 0.00 176.35 177.05 2fbh s SER 34 N 1.13 3.68 0.20 2.29 0.01 -1.26 -3.81 113.70 115.94 2fbh s SER 34 Ca 0.28 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2fbh s SER 34 Cb -0.10 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.64 2fbh s SER 34 CO -0.09 -2.36 0.00 0.00 0.41 0.00 0.00 173.24 171.20 2fbh n GLN 35 N -3.47 0.00 0.00 12.44 0.00 -1.26 -2.14 117.38 122.95 2fbh n GLN 35 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 57.00 57.17 2fbh n GLN 35 Cb 0.60 0.00 0.21 0.00 0.00 0.00 0.00 30.24 31.05 2fbh n GLN 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2fbh n ALA 36 N 2.65 2.12 -0.13 2.61 0.00 -1.26 -4.42 120.51 122.09 2fbh n ALA 36 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.43 2fbh n ALA 36 Cb 0.00 -1.11 0.34 0.00 0.00 0.00 0.00 19.45 18.67 2fbh n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fbh h ARG 37 N 0.00 0.76 0.00 0.00 3.08 -1.57 0.44 114.38 117.10 2fbh h ARG 37 Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2fbh h ARG 37 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2fbh h ARG 37 CO 0.00 0.51 -0.23 0.11 -1.07 0.00 0.00 179.97 179.29 2fbh h TRP 38 N 0.79 0.00 -0.05 3.04 5.08 -1.77 -2.71 115.95 120.32 2fbh h TRP 38 Ca 0.23 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.19 2fbh h TRP 38 Cb -0.02 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.13 2fbh h TRP 38 CO -0.00 0.23 -0.01 1.25 -1.28 0.00 0.00 178.44 178.63 2fbh h LEU 39 N 0.00 0.09 -0.41 0.11 5.85 -0.44 0.13 115.31 120.64 2fbh h LEU 39 Ca -0.00 -0.36 0.09 0.00 0.84 0.00 0.00 57.88 58.44 2fbh h LEU 39 Cb 0.48 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 2fbh h LEU 39 CO 0.03 0.43 -0.19 0.58 -0.34 0.00 0.00 178.44 178.95 2fbh h VAL 40 N -0.25 0.42 -0.68 1.05 2.07 -1.44 0.19 116.25 117.61 2fbh h VAL 40 Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 2fbh h VAL 40 Cb 0.39 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 2fbh h VAL 40 CO 0.00 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.85 2fbh h LEU 41 N -0.12 0.42 -0.45 2.57 3.38 -1.35 -0.23 115.31 119.53 2fbh h LEU 41 Ca 0.20 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2fbh h LEU 41 Cb 0.42 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2fbh h LEU 41 CO -0.48 0.25 0.11 0.25 0.09 0.00 0.00 178.44 178.65 2fbh h LEU 42 N 0.57 0.69 -0.87 1.67 6.46 0.72 0.05 115.31 124.60 2fbh h LEU 42 Ca 0.33 -0.23 -0.10 0.00 -0.12 0.00 0.00 57.88 57.75 2fbh h LEU 42 Cb 0.34 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2fbh h LEU 42 CO -0.26 0.75 -0.29 0.45 -0.62 0.00 0.00 178.44 178.47 2fbh h HIS 43 N 0.61 0.57 -0.72 1.25 3.86 -0.21 -2.01 115.15 118.49 2fbh h HIS 43 Ca 0.14 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 2fbh h HIS 43 Cb 0.33 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 2fbh h HIS 43 CO 0.02 0.74 0.26 -0.07 0.86 0.00 0.00 177.93 179.74 2fbh h LEU 44 N 0.43 0.99 -1.39 2.43 3.38 -0.63 -2.48 115.31 118.04 2fbh h LEU 44 Ca 0.06 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2fbh h LEU 44 Cb 0.72 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2fbh h LEU 44 CO 0.06 0.90 -0.31 0.00 0.09 0.00 0.00 178.44 179.18 2fbh h ALA 45 N 1.24 1.46 0.00 1.53 0.00 -0.36 -3.25 119.26 119.88 2fbh h ALA 45 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2fbh h ALA 45 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2fbh h ALA 45 CO -0.02 0.38 -1.16 0.54 0.00 0.00 0.00 179.25 178.99 2fbh n ARG 46 N -4.12 0.53 -3.88 0.00 1.74 -0.82 -4.86 116.66 105.25 2fbh n ARG 46 Ca -0.02 0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 2fbh n ARG 46 Cb 0.35 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 2fbh n ARG 46 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2fbh s HIS 47 N -3.34 3.56 0.06 -1.55 3.76 -0.98 -5.01 115.29 111.78 2fbh s HIS 47 Ca -0.01 0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 55.29 2fbh s HIS 47 Cb 0.12 -1.86 -0.27 0.00 1.11 0.00 0.00 32.58 31.67 2fbh s HIS 47 CO 0.81 0.65 1.09 -0.09 -0.85 0.00 0.00 174.74 176.35 2fbh h ARG 48 N 3.92 0.23 -7.16 1.40 2.43 -1.89 -3.46 114.38 109.85 2fbh h ARG 48 Ca -0.49 -0.39 -0.50 0.00 -0.81 0.00 0.00 59.98 57.78 2fbh h ARG 48 Cb 1.19 0.15 0.09 0.00 -0.42 0.00 0.00 29.97 30.98 2fbh h ARG 48 CO 0.68 1.16 0.39 -0.51 -1.51 0.00 0.00 179.97 180.18 2fbh s ASP 49 N -7.04 5.39 -0.28 -3.80 1.01 -1.26 -5.02 116.67 105.67 2fbh s ASP 49 Ca -0.04 2.03 -0.20 0.00 0.71 0.00 0.00 52.55 55.04 2fbh s ASP 49 Cb 0.07 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 2fbh s ASP 49 CO 0.87 -1.44 0.63 -0.44 0.21 0.00 0.00 175.17 175.00 2fbh s SER 50 N -2.35 6.54 0.62 0.27 0.01 -1.26 -5.05 113.70 112.49 2fbh s SER 50 Ca 0.68 0.59 -0.12 0.00 1.31 0.00 0.00 55.95 58.41 2fbh s SER 50 Cb -0.21 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2fbh s SER 50 CO 0.36 -0.42 1.03 -2.16 0.41 0.00 0.00 173.24 172.46 2fbh s PRO 51 N 2.56 3.48 0.90 12.44 0.04 -1.25 -4.66 135.00 148.50 2fbh s PRO 51 Ca 0.26 0.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.00 2fbh s PRO 51 Cb -0.15 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 32.47 2fbh s PRO 51 CO 0.10 -0.67 1.23 0.95 0.04 0.00 0.00 177.00 178.65 2fbh s THR 52 N -3.06 1.98 0.23 1.26 -4.23 -1.26 -0.61 115.64 109.94 2fbh s THR 52 Ca 0.56 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.99 2fbh s THR 52 Cb -0.12 -2.94 0.20 0.00 1.34 0.00 0.00 72.50 70.97 2fbh s THR 52 CO 0.51 0.00 1.87 1.56 -0.54 0.00 0.00 174.62 178.02 2fbh h GLN 53 N -1.40 1.17 -0.38 3.99 4.20 -1.97 -2.00 115.11 118.71 2fbh h GLN 53 Ca -0.46 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.09 2fbh h GLN 53 Cb 1.29 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 2fbh h GLN 53 CO 0.54 0.82 -0.01 -0.09 -0.67 0.00 0.00 178.83 179.41 2fbh h ARG 54 N 1.19 0.61 -0.41 1.46 2.43 -1.95 -1.39 114.38 116.33 2fbh h ARG 54 Ca 0.31 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 2fbh h ARG 54 Cb -0.05 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2fbh h ARG 54 CO -0.06 0.64 -0.33 0.93 -1.51 0.00 0.00 179.97 179.64 2fbh h GLU 55 N 0.58 0.94 -0.23 0.20 5.08 -1.81 -2.72 114.58 116.63 2fbh h GLU 55 Ca 0.12 -0.47 -0.15 0.00 -1.00 0.00 0.00 59.36 57.86 2fbh h GLU 55 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2fbh h GLU 55 CO 0.01 1.13 -0.48 1.25 -1.00 0.00 0.00 179.01 179.93 2fbh h LEU 56 N 0.77 0.67 0.04 1.33 5.85 -1.17 -2.37 115.31 120.43 2fbh h LEU 56 Ca 0.07 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2fbh h LEU 56 Cb 0.92 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2fbh h LEU 56 CO 0.09 1.04 -0.02 0.00 -0.34 0.00 0.00 178.44 179.21 2fbh h ALA 57 N 0.98 -0.05 -0.77 1.25 0.00 -1.27 -0.27 119.26 119.13 2fbh h ALA 57 Ca 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.88 2fbh h ALA 57 Cb 1.02 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 2fbh h ALA 57 CO 0.09 -0.40 -0.55 1.96 0.00 0.00 0.00 179.25 180.35 2fbh h GLN 58 N -0.31 -0.14 0.02 0.00 4.20 -1.41 0.11 115.11 117.58 2fbh h GLN 58 Ca -0.01 0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 2fbh h GLN 58 Cb 0.29 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2fbh h GLN 58 CO 0.01 -0.10 -0.95 0.66 -0.67 0.00 0.00 178.83 177.79 2fbh h SER 59 N -0.15 0.20 0.46 1.46 4.64 -1.23 -3.13 113.55 115.80 2fbh h SER 59 Ca 0.14 -0.18 -0.19 0.00 -0.47 0.00 0.00 61.79 61.10 2fbh h SER 59 Cb 0.50 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2fbh h SER 59 CO -0.81 1.03 -0.81 0.58 -0.87 0.00 0.00 176.83 175.95 2fbh h VAL 60 N 0.07 1.44 0.00 0.95 2.07 -0.94 -3.48 116.25 116.36 2fbh h VAL 60 Ca -0.05 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.07 2fbh h VAL 60 Cb 1.62 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 2fbh h VAL 60 CO 0.14 0.71 0.00 0.61 0.02 0.00 0.00 177.57 179.05 2fbh n GLY 61 N 0.73 1.11 3.01 2.17 0.00 0.31 -5.01 105.19 107.51 2fbh n GLY 61 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2fbh n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fbh s VAL 62 N -2.00 0.16 0.66 1.61 0.11 -0.73 -5.03 120.40 115.17 2fbh s VAL 62 Ca 0.00 -1.12 -0.13 0.00 -2.93 0.00 0.00 61.98 57.79 2fbh s VAL 62 Cb 0.00 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.29 2fbh s VAL 62 CO 0.00 -0.61 1.07 -1.61 -3.33 0.00 0.00 175.10 170.62 2fbh s GLU 63 N -2.02 2.96 0.12 1.54 2.02 -1.26 -4.33 118.70 117.73 2fbh s GLU 63 Ca -0.10 1.15 -0.28 0.00 0.02 0.00 0.00 54.97 55.75 2fbh s GLU 63 Cb -0.06 -1.99 -0.07 0.00 0.10 0.00 0.00 34.13 32.12 2fbh s GLU 63 CO -0.03 -1.09 1.61 0.78 0.02 0.00 0.00 175.26 176.55 2fbh h GLY 64 N -0.22 -0.60 0.36 -1.39 0.00 -1.94 -1.22 103.07 98.06 2fbh h GLY 64 Ca -0.45 0.41 0.20 0.00 0.00 0.00 0.00 47.33 47.48 2fbh h GLY 64 CO 0.56 -0.24 0.58 -0.56 0.00 0.00 0.00 176.54 176.88 2fbh h PRO 65 N -0.51 0.39 -0.12 4.80 0.13 -2.00 0.01 132.00 134.71 2fbh h PRO 65 Ca 0.05 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 2fbh h PRO 65 Cb 0.58 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 2fbh h PRO 65 CO -0.26 0.26 0.00 1.15 -0.23 0.00 0.00 178.00 178.93 2fbh h THR 66 N 0.41 1.25 -0.86 1.56 2.02 -1.75 -3.08 112.91 112.45 2fbh h THR 66 Ca 0.45 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.83 2fbh h THR 66 Cb 1.13 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 2fbh h THR 66 CO -0.17 0.23 0.57 0.25 0.37 0.00 0.00 175.52 176.78 2fbh h LEU 67 N -0.06 0.99 -0.72 2.58 5.85 -0.23 -2.42 115.31 121.31 2fbh h LEU 67 Ca 0.03 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2fbh h LEU 67 Cb 0.36 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2fbh h LEU 67 CO 0.01 0.72 0.39 0.00 -0.34 0.00 0.00 178.44 179.22 2fbh h ALA 68 N 1.46 0.98 -0.15 1.25 0.00 -0.97 0.25 119.26 122.08 2fbh h ALA 68 Ca 0.32 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2fbh h ALA 68 Cb -0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2fbh h ALA 68 CO -0.07 0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.31 2fbh h ARG 69 N 0.70 0.22 -0.63 0.00 2.47 -1.39 -0.94 114.38 114.82 2fbh h ARG 69 Ca 0.33 -0.03 0.09 0.00 -1.26 0.00 0.00 59.98 59.11 2fbh h ARG 69 Cb 0.26 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.46 2fbh h ARG 69 CO -0.21 0.25 0.26 -0.07 0.56 0.00 0.00 179.97 180.76 2fbh h LEU 70 N 0.13 0.30 -0.62 3.04 3.38 -0.95 -2.31 115.31 118.29 2fbh h LEU 70 Ca 0.05 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2fbh h LEU 70 Cb 0.10 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2fbh h LEU 70 CO -0.01 0.18 -0.04 -0.07 0.09 0.00 0.00 178.44 178.58 2fbh h LEU 71 N 0.47 1.03 -0.69 1.67 3.38 -0.34 -2.08 115.31 118.74 2fbh h LEU 71 Ca 0.32 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2fbh h LEU 71 Cb 0.37 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2fbh h LEU 71 CO -0.29 1.10 0.39 0.44 0.09 0.00 0.00 178.44 180.17 2fbh h ASP 72 N 0.94 0.57 -0.15 -0.43 3.32 -0.72 0.20 116.42 120.15 2fbh h ASP 72 Ca 0.16 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.27 2fbh h ASP 72 Cb 0.60 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 2fbh h ASP 72 CO 0.04 0.36 -0.05 1.23 -1.72 0.00 0.00 179.24 179.10 2fbh h GLY 73 N 0.71 0.09 1.32 2.75 0.00 -1.02 0.13 103.07 107.04 2fbh h GLY 73 Ca 0.31 0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.56 2fbh h GLY 73 CO -0.19 -0.07 -0.39 1.41 0.00 0.00 0.00 176.54 177.30 2fbh h LEU 74 N -0.02 0.79 -0.49 3.11 3.38 -0.75 -2.84 115.31 118.49 2fbh h LEU 74 Ca 0.08 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 2fbh h LEU 74 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2fbh h LEU 74 CO -0.17 1.09 -0.04 -0.08 0.09 0.00 0.00 178.44 179.33 2fbh h GLU 75 N 0.61 0.89 -0.56 1.13 4.81 -0.46 -1.62 114.58 119.39 2fbh h GLU 75 Ca 0.05 -0.30 0.12 0.00 -0.13 0.00 0.00 59.36 59.10 2fbh h GLU 75 Cb 0.93 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 2fbh h GLU 75 CO 0.09 0.95 0.38 0.66 -0.73 0.00 0.00 179.01 180.35 2fbh h SER 76 N 0.75 0.20 -0.21 1.04 4.64 -0.61 0.06 113.55 119.41 2fbh h SER 76 Ca 0.13 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2fbh h SER 76 Cb 0.57 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2fbh h SER 76 CO 0.03 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 2fbh n GLN 77 N -4.44 1.81 -1.68 4.77 6.02 -0.94 -4.93 117.38 117.99 2fbh n GLN 77 Ca 0.10 -1.22 -0.11 0.00 -0.01 0.00 0.00 57.00 55.76 2fbh n GLN 77 Cb 0.47 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.32 2fbh n GLN 77 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2fbh n GLY 78 N 1.15 0.68 0.09 1.08 0.00 0.01 -4.92 105.19 103.27 2fbh n GLY 78 Ca 0.16 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 2fbh n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fbh n LEU 79 N -1.35 0.46 -4.25 0.99 4.77 -0.65 -4.56 117.00 112.41 2fbh n LEU 79 Ca -0.12 0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 2fbh n LEU 79 Cb 0.45 0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 2fbh n LEU 79 CO 0.16 0.38 -0.42 0.68 -1.33 0.00 0.00 177.39 176.86 2fbh s VAL 80 N -2.65 1.20 0.10 4.08 -7.23 -1.24 -1.98 120.40 112.69 2fbh s VAL 80 Ca -0.07 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.16 2fbh s VAL 80 Cb 0.08 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 2fbh s VAL 80 CO 0.83 -0.69 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.64 2fbh s ARG 81 N -3.56 0.97 -0.29 4.82 0.52 0.18 -4.47 118.95 117.11 2fbh s ARG 81 Ca 0.15 -1.12 -0.07 0.00 -0.52 0.00 0.00 55.73 54.17 2fbh s ARG 81 Cb 0.01 -0.98 0.00 0.00 0.52 0.00 0.00 34.95 34.51 2fbh s ARG 81 CO 0.01 0.21 0.08 1.03 0.02 0.00 0.00 175.30 176.65 2fbh s ARG 82 N -2.18 3.16 0.06 3.54 0.52 -1.26 -0.72 118.95 122.07 2fbh s ARG 82 Ca 0.04 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 2fbh s ARG 82 Cb -0.08 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 2fbh s ARG 82 CO 0.03 -0.42 -0.04 -0.51 0.02 0.00 0.00 175.30 174.38 2fbh s LEU 83 N 1.52 2.46 0.16 2.53 1.43 0.19 -4.82 118.68 122.16 2fbh s LEU 83 Ca 0.03 -0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 51.99 2fbh s LEU 83 Cb -0.17 0.09 -0.08 0.00 0.03 0.00 0.00 46.19 46.06 2fbh s LEU 83 CO 0.03 -0.51 0.69 0.00 0.23 0.00 0.00 176.35 176.78 2fbh s ALA 84 N -3.50 3.48 0.00 4.21 0.00 -1.26 0.89 121.76 125.59 2fbh s ALA 84 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2fbh s ALA 84 Cb 0.05 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2fbh s ALA 84 CO -0.07 0.35 0.03 1.33 0.00 0.00 0.00 175.76 177.40 2fbh n VAL 85 N 1.21 0.00 -3.75 0.00 0.24 -0.77 -4.96 118.33 110.29 2fbh n VAL 85 Ca -0.05 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.34 61.67 2fbh n VAL 85 Cb 0.50 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.82 2fbh n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2fbh s ALA 86 N -0.89 -0.60 0.54 2.33 0.00 -1.02 -4.93 121.76 117.19 2fbh s ALA 86 Ca 0.00 -0.35 0.24 0.00 0.00 0.00 0.00 51.96 51.85 2fbh s ALA 86 Cb 0.00 0.67 1.40 0.00 0.00 0.00 0.00 23.12 25.19 2fbh s ALA 86 CO 0.00 -0.62 2.03 0.93 0.00 0.00 0.00 175.76 178.10 2fbh h GLU 87 N 2.49 0.00 -0.08 0.00 5.08 -2.03 -2.17 114.58 117.87 2fbh h GLU 87 Ca -0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2fbh h GLU 87 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2fbh h GLU 87 CO 0.49 0.00 -0.08 -0.40 -1.00 0.00 0.00 179.01 178.02 2fbh n ASP 88 N -4.33 2.58 -3.50 1.42 3.85 -1.26 -4.70 116.55 110.61 2fbh n ASP 88 Ca 0.07 -3.25 -0.28 0.00 -0.71 0.00 0.00 54.79 50.62 2fbh n ASP 88 Cb 0.49 -0.49 -0.11 0.00 -1.35 0.00 0.00 41.12 39.66 2fbh n ASP 88 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2fbh s ARG 89 N -2.95 1.10 0.09 0.11 1.81 -0.81 -4.96 118.95 113.33 2fbh s ARG 89 Ca 0.36 -2.15 0.23 0.00 -1.72 0.00 0.00 55.73 52.44 2fbh s ARG 89 Cb 0.32 -1.76 -0.07 0.00 -0.45 0.00 0.00 34.95 32.99 2fbh s ARG 89 CO 0.02 -1.33 0.90 0.54 -0.68 0.00 0.00 175.30 174.75 2fbh n ARG 90 N 2.96 0.51 -0.64 3.54 3.00 -1.25 -1.85 116.66 122.93 2fbh n ARG 90 Ca 0.24 -0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.78 2fbh n ARG 90 Cb 0.43 -1.67 0.20 0.00 0.00 0.00 0.00 32.46 31.42 2fbh n ARG 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2fbh s ALA 91 N -3.35 0.67 0.04 7.54 0.00 -1.26 -4.67 121.76 120.73 2fbh s ALA 91 Ca -0.01 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 2fbh s ALA 91 Cb 0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 2fbh s ALA 91 CO 0.82 -3.20 0.97 0.15 0.00 0.00 0.00 175.76 174.50 2fbh s LYS 92 N -4.58 4.60 0.11 0.00 3.01 -1.26 -4.17 119.74 117.46 2fbh s LYS 92 Ca 0.67 1.42 0.08 0.00 -1.01 0.00 0.00 55.97 57.13 2fbh s LYS 92 Cb -0.24 -3.43 -0.04 0.00 -1.01 0.00 0.00 37.83 33.11 2fbh s LYS 92 CO 0.61 0.04 -0.13 -1.01 0.51 0.00 0.00 175.35 175.36 2fbh s HIS 93 N 0.66 2.65 -0.23 3.18 3.76 0.26 -4.28 115.29 121.29 2fbh s HIS 93 Ca 0.50 -0.20 -0.13 0.00 -0.15 0.00 0.00 55.06 55.07 2fbh s HIS 93 Cb -0.22 -1.39 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 2fbh s HIS 93 CO 0.28 0.41 0.28 0.42 -0.85 0.00 0.00 174.74 175.29 2fbh s ILE 94 N -1.20 5.27 0.01 0.60 1.01 0.22 -0.64 121.20 126.48 2fbh s ILE 94 Ca 0.20 0.44 0.06 0.00 0.00 0.00 0.00 60.65 61.35 2fbh s ILE 94 Cb -0.11 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2fbh s ILE 94 CO 0.12 0.28 -0.20 -0.69 0.00 0.00 0.00 174.94 174.46 2fbh s VAL 95 N 1.29 1.57 0.57 2.92 1.01 0.10 -3.97 120.40 123.89 2fbh s VAL 95 Ca 0.13 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 2fbh s VAL 95 Cb -0.14 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2fbh s VAL 95 CO 0.07 0.32 1.06 -0.76 0.00 0.00 0.00 175.10 175.78 2fbh s LEU 96 N -0.79 3.59 0.24 3.92 1.43 -1.26 -0.65 118.68 125.16 2fbh s LEU 96 Ca 0.07 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 55.05 2fbh s LEU 96 Cb -0.08 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.56 2fbh s LEU 96 CO 0.00 -1.07 0.39 0.42 0.23 0.00 0.00 176.35 176.32 2fbh s THR 97 N -2.31 5.23 0.32 5.49 -4.23 -0.84 -4.84 115.64 114.46 2fbh s THR 97 Ca 0.65 -0.69 0.09 0.00 -1.18 0.00 0.00 61.69 60.56 2fbh s THR 97 Cb -0.16 -3.81 0.32 0.00 1.34 0.00 0.00 72.50 70.18 2fbh s THR 97 CO 0.32 -0.30 1.76 -0.65 -0.54 0.00 0.00 174.62 175.22 2fbh h PRO 98 N 1.44 0.64 -0.92 3.99 0.11 -1.91 0.15 132.00 135.49 2fbh h PRO 98 Ca -0.50 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 65.75 2fbh h PRO 98 Cb 1.21 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 2fbh h PRO 98 CO 0.64 0.42 0.59 -0.22 -0.21 0.00 0.00 178.00 179.22 2fbh h LYS 99 N 0.66 0.57 0.00 1.05 3.64 -1.94 -0.92 116.57 119.62 2fbh h LYS 99 Ca 0.60 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 2fbh h LYS 99 Cb 1.07 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2fbh h LYS 99 CO -0.40 0.37 0.00 0.00 -2.27 0.00 0.00 179.45 177.16 2fbh h ALA 100 N 1.61 1.00 -0.38 5.00 0.00 -0.93 -3.35 119.26 122.20 2fbh h ALA 100 Ca 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.25 2fbh h ALA 100 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2fbh h ALA 100 CO -0.23 0.00 -0.33 0.22 0.00 0.00 0.00 179.25 178.92 2fbh h ASP 101 N 0.00 0.91 0.38 0.00 3.58 -1.20 0.89 116.42 120.98 2fbh h ASP 101 Ca 0.00 -0.38 -0.05 0.00 0.42 0.00 0.00 57.03 57.01 2fbh h ASP 101 Cb 0.46 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2fbh h ASP 101 CO 0.00 1.15 -0.26 -0.37 -2.88 0.00 0.00 179.24 176.88 2fbh h VAL 102 N 0.72 0.98 0.25 2.25 -1.51 -1.77 -0.90 116.25 116.27 2fbh h VAL 102 Ca 0.07 -0.94 -0.01 0.00 -1.23 0.00 0.00 66.70 64.59 2fbh h VAL 102 Cb 0.89 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2fbh h VAL 102 CO 0.08 0.25 -0.12 0.25 -1.23 0.00 0.00 177.57 176.80 2fbh h LEU 103 N 0.00 -0.28 -0.93 4.19 5.85 -1.54 -2.74 115.31 119.86 2fbh h LEU 103 Ca -0.00 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.54 2fbh h LEU 103 Cb 0.52 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 2fbh h LEU 103 CO 0.03 0.17 0.59 0.40 -0.34 0.00 0.00 178.44 179.29 2fbh h ILE 104 N -0.81 1.06 -0.59 4.05 1.08 -0.73 -0.93 117.51 120.63 2fbh h ILE 104 Ca -0.03 -0.36 0.08 0.00 -0.39 0.00 0.00 64.86 64.15 2fbh h ILE 104 Cb 0.51 -0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 34.10 2fbh h ILE 104 CO 0.06 0.19 0.25 0.00 -0.69 0.00 0.00 178.15 177.96 2fbh h ALA 105 N 1.43 0.77 -0.45 1.87 0.00 -1.17 0.18 119.26 121.89 2fbh h ALA 105 Ca 0.40 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 2fbh h ALA 105 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2fbh h ALA 105 CO -0.18 -0.14 0.08 -0.44 0.00 0.00 0.00 179.25 178.57 2fbh h ASP 106 N 0.46 0.70 -0.58 0.00 3.32 -1.07 -1.53 116.42 117.73 2fbh h ASP 106 Ca 0.29 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2fbh h ASP 106 Cb 0.30 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2fbh h ASP 106 CO -0.26 0.77 0.34 0.40 -1.72 0.00 0.00 179.24 178.78 2fbh h ILE 107 N 0.60 1.17 -0.77 0.35 2.04 -0.81 -1.03 117.51 119.06 2fbh h ILE 107 Ca 0.14 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2fbh h ILE 107 Cb 0.36 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2fbh h ILE 107 CO 0.01 0.18 0.40 -0.33 0.00 0.00 0.00 178.15 178.41 2fbh h GLU 108 N 0.78 1.09 -0.44 2.37 5.08 -0.58 0.13 114.58 123.01 2fbh h GLU 108 Ca 0.21 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2fbh h GLU 108 Cb -0.01 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2fbh h GLU 108 CO -0.04 0.82 -0.01 0.00 -1.00 0.00 0.00 179.01 178.78 2fbh h ALA 109 N 1.21 0.59 -0.31 3.43 0.00 -1.03 -0.67 119.26 122.48 2fbh h ALA 109 Ca 0.27 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2fbh h ALA 109 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2fbh h ALA 109 CO -0.04 0.39 -0.43 0.82 0.00 0.00 0.00 179.25 179.99 2fbh h ILE 110 N 0.62 1.28 -0.68 0.00 2.04 -0.81 -0.99 117.51 118.97 2fbh h ILE 110 Ca 0.12 -1.61 -0.06 0.00 1.00 0.00 0.00 64.86 64.32 2fbh h ILE 110 Cb 0.51 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2fbh h ILE 110 CO 0.02 0.52 0.21 0.00 0.00 0.00 0.00 178.15 178.90 2fbh h ALA 111 N 0.88 1.07 -0.94 1.87 0.00 -0.58 -1.37 119.26 120.20 2fbh h ALA 111 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2fbh h ALA 111 Cb 0.99 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2fbh h ALA 111 CO 0.09 0.63 0.55 0.00 0.00 0.00 0.00 179.25 180.52 2fbh h ALA 112 N 1.20 1.20 -0.86 0.00 0.00 -0.88 -1.00 119.26 118.92 2fbh h ALA 112 Ca 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2fbh h ALA 112 Cb 0.30 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2fbh h ALA 112 CO -0.01 0.67 0.45 0.66 0.00 0.00 0.00 179.25 181.02 2fbh h SER 113 N 1.30 1.08 -0.28 0.00 4.64 -0.38 0.30 113.55 120.21 2fbh h SER 113 Ca 0.33 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.44 2fbh h SER 113 Cb -0.03 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 2fbh h SER 113 CO -0.06 0.88 -0.23 0.58 -0.87 0.00 0.00 176.83 177.13 2fbh h VAL 114 N 1.20 1.30 -0.14 0.95 2.07 -1.01 -2.15 116.25 118.48 2fbh h VAL 114 Ca 0.30 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 2fbh h VAL 114 Cb 0.05 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2fbh h VAL 114 CO -0.05 0.44 0.08 -0.09 0.02 0.00 0.00 177.57 177.97 2fbh h ARG 115 N 0.38 0.19 -0.35 1.57 2.43 -0.88 0.88 114.38 118.60 2fbh h ARG 115 Ca 0.05 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2fbh h ARG 115 Cb 0.78 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.22 2fbh h ARG 115 CO 0.06 0.19 -0.14 -0.97 -1.51 0.00 0.00 179.97 177.60 2fbh h ASN 116 N 0.14 -0.49 -0.30 -3.80 -1.24 -0.97 -1.92 115.58 106.99 2fbh h ASN 116 Ca 0.05 0.13 -0.18 0.00 0.71 0.00 0.00 56.30 57.01 2fbh h ASN 116 Cb 0.05 0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 2fbh h ASN 116 CO -0.01 -0.18 -0.52 0.44 -1.29 0.00 0.00 177.43 175.88 2fbh h ASP 117 N -0.08 0.97 0.92 1.15 3.32 -0.89 -3.00 116.42 118.82 2fbh h ASP 117 Ca 0.18 -0.52 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 2fbh h ASP 117 Cb 0.34 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2fbh h ASP 117 CO -0.41 1.31 -0.17 -0.37 -1.72 0.00 0.00 179.24 177.88 2fbh h VAL 118 N 0.67 0.44 -0.04 -1.35 -1.51 -0.70 -2.40 116.25 111.36 2fbh h VAL 118 Ca 0.02 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 2fbh h VAL 118 Cb 1.13 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 2fbh h VAL 118 CO 0.12 0.17 0.00 0.18 -1.23 0.00 0.00 177.57 176.81 2fbh n LEU 119 N -3.34 1.10 -4.65 4.19 4.77 -0.73 -4.93 117.00 113.39 2fbh n LEU 119 Ca 0.00 -0.39 -0.47 0.00 -0.03 0.00 0.00 56.01 55.12 2fbh n LEU 119 Cb 0.39 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 2fbh n LEU 119 CO 0.32 0.20 1.13 0.41 -1.33 0.00 0.00 177.39 178.11 2fbh n THR 120 N -0.12 0.03 -0.35 -5.08 -1.04 -0.90 -1.45 114.28 105.36 2fbh n THR 120 Ca 0.19 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2fbh n THR 120 Cb 0.28 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 2fbh n THR 120 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fbh n GLY 121 N 3.20 1.48 3.55 3.41 0.00 -1.26 -5.01 105.19 110.55 2fbh n GLY 121 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2fbh n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fbh s ILE 122 N -3.06 4.71 0.41 -0.61 1.01 -0.53 -5.07 121.20 118.07 2fbh s ILE 122 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 2fbh s ILE 122 Cb 0.00 -3.18 -0.10 0.00 0.01 0.00 0.00 42.46 39.19 2fbh s ILE 122 CO 0.00 0.36 1.45 -0.67 0.00 0.00 0.00 174.94 176.08 2fbh n ASP 123 N 4.45 3.52 -0.37 3.58 -0.08 -1.26 -4.84 116.55 121.55 2fbh n ASP 123 Ca -0.16 1.18 0.01 0.00 -1.51 0.00 0.00 54.79 54.31 2fbh n ASP 123 Cb 0.52 -1.60 0.15 0.00 2.34 0.00 0.00 41.12 42.53 2fbh n ASP 123 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2fbh h GLU 124 N 2.64 1.22 -0.56 -0.67 5.08 -1.97 -0.65 114.58 119.65 2fbh h GLU 124 Ca -0.50 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 57.70 2fbh h GLU 124 Cb 1.26 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2fbh h GLU 124 CO 0.63 0.80 0.02 0.77 -1.00 0.00 0.00 179.01 180.23 2fbh h SER 125 N 1.25 0.96 -0.15 1.42 0.02 -2.00 -1.20 113.55 113.85 2fbh h SER 125 Ca 0.40 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 2fbh h SER 125 Cb 0.02 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2fbh h SER 125 CO -0.13 1.02 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.89 2fbh h GLU 126 N 0.87 0.67 -0.23 3.45 5.08 -1.82 -0.55 114.58 122.05 2fbh h GLU 126 Ca 0.16 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2fbh h GLU 126 Cb 0.52 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2fbh h GLU 126 CO 0.03 0.93 -0.09 0.37 -1.00 0.00 0.00 179.01 179.25 2fbh h GLN 127 N 0.56 -0.04 -0.63 2.33 4.15 -0.99 0.12 115.11 120.61 2fbh h GLN 127 Ca 0.05 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.50 2fbh h GLN 127 Cb 0.89 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.55 2fbh h GLN 127 CO 0.08 -0.03 0.41 0.00 -1.93 0.00 0.00 178.83 177.35 2fbh h ALA 128 N 1.17 0.82 -0.45 3.38 0.00 -0.88 -0.84 119.26 122.45 2fbh h ALA 128 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2fbh h ALA 128 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2fbh h ALA 128 CO -0.26 0.18 0.23 1.25 0.00 0.00 0.00 179.25 180.65 2fbh h LEU 129 N 0.81 0.58 -0.48 0.00 7.12 -0.86 -1.24 115.31 121.24 2fbh h LEU 129 Ca 0.24 -0.11 0.05 0.00 0.13 0.00 0.00 57.88 58.19 2fbh h LEU 129 Cb -0.03 -0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 39.90 2fbh h LEU 129 CO -0.08 0.53 0.21 0.00 -0.13 0.00 0.00 178.44 178.97 2fbh h GLN 131 N 0.42 1.24 -0.66 0.00 4.20 -0.97 -1.52 115.11 117.82 2fbh h GLN 131 Ca 0.22 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 2fbh h GLN 131 Cb 0.16 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2fbh h GLN 131 CO -0.18 0.83 0.16 1.96 -0.67 0.00 0.00 178.83 180.93 2fbh h GLN 132 N 1.28 1.06 0.18 1.46 1.08 -0.41 0.42 115.11 120.18 2fbh h GLN 132 Ca 0.34 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2fbh h GLN 132 Cb -0.13 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.16 2fbh h GLN 132 CO -0.07 0.95 -0.12 0.28 -0.95 0.00 0.00 178.83 178.92 2fbh h VAL 133 N 0.99 0.74 -0.96 -0.54 2.07 -0.92 -2.07 116.25 115.56 2fbh h VAL 133 Ca 0.21 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.80 2fbh h VAL 133 Cb 0.37 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 2fbh h VAL 133 CO 0.00 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.13 2fbh h LEU 134 N -0.30 0.95 -1.10 2.57 3.38 -1.05 -1.52 115.31 118.24 2fbh h LEU 134 Ca -0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2fbh h LEU 134 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2fbh h LEU 134 CO 0.01 0.59 0.17 -0.07 0.09 0.00 0.00 178.44 179.24 2fbh h LEU 135 N 1.08 0.75 -0.32 1.67 3.38 -0.70 0.32 115.31 121.48 2fbh h LEU 135 Ca 0.43 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 2fbh h LEU 135 Cb 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2fbh h LEU 135 CO -0.19 0.71 -0.43 -0.09 0.09 0.00 0.00 178.44 178.53 2fbh h ARG 136 N 0.79 0.86 0.08 1.13 9.65 -0.88 -0.32 114.38 125.70 2fbh h ARG 136 Ca 0.18 -0.50 -0.00 0.00 -1.10 0.00 0.00 59.98 58.56 2fbh h ARG 136 Cb 0.23 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2fbh h ARG 136 CO -0.01 1.14 -0.04 0.82 2.80 0.00 0.00 179.97 184.68 2fbh h ILE 137 N 0.65 0.92 -0.99 1.20 2.04 -0.96 0.16 117.51 120.53 2fbh h ILE 137 Ca 0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 2fbh h ILE 137 Cb 1.03 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 2fbh h ILE 137 CO 0.10 0.00 0.63 0.25 0.00 0.00 0.00 178.15 179.13 2fbh h LEU 138 N -0.11 1.00 -0.82 1.44 5.85 -0.83 -0.66 115.31 121.18 2fbh h LEU 138 Ca -0.01 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2fbh h LEU 138 Cb 0.09 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2fbh h LEU 138 CO 0.01 0.62 -0.04 0.00 -0.34 0.00 0.00 178.44 178.69 2fbh h ALA 139 N 1.46 1.01 -0.50 1.25 0.00 -0.56 0.15 119.26 122.08 2fbh h ALA 139 Ca 0.44 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2fbh h ALA 139 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2fbh h ALA 139 CO -0.19 0.60 0.19 -0.91 0.00 0.00 0.00 179.25 178.94 2fbh h ASN 140 N 0.77 0.65 0.14 0.00 2.35 0.01 0.51 115.58 120.01 2fbh h ASN 140 Ca 0.14 -0.08 -0.24 0.00 -0.55 0.00 0.00 56.30 55.57 2fbh h ASN 140 Cb 0.53 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.74 2fbh h ASN 140 CO 0.03 0.60 -0.96 -0.07 -1.65 0.00 0.00 177.43 175.38 2fbh h LEU 141 N 0.71 0.74 0.08 1.61 3.38 -0.50 -3.30 115.31 118.03 2fbh h LEU 141 Ca 0.17 -0.57 -0.26 0.00 0.09 0.00 0.00 57.88 57.31 2fbh h LEU 141 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2fbh h LEU 141 CO -0.02 1.37 -1.23 -0.33 0.09 0.00 0.00 178.44 178.32 2fbh h GLU 142 N 0.34 0.18 -1.87 1.13 5.08 -0.18 -2.85 114.58 116.39 2fbh h GLU 142 Ca -0.10 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2fbh h GLU 142 Cb 1.60 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.95 2fbh h GLU 142 CO 0.18 1.11 0.01 0.09 -1.00 0.00 0.00 179.01 179.40 2fbh n ASN 143 N -3.45 5.12 -0.41 1.42 3.02 0.17 -5.07 115.26 116.06 2fbh n ASN 143 Ca -0.07 -2.39 0.14 0.00 -0.03 0.00 0.00 54.58 52.23 2fbh n ASN 143 Cb 1.00 -1.06 0.58 0.00 -0.61 0.00 0.00 39.78 39.70 2fbh n ASN 143 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18