#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mux s ASP 2 N 0.00 4.69 0.00 0.00 1.01 -1.26 -4.72 116.67 116.38 1mux s ASP 2 Ca 0.00 -2.98 0.00 0.00 0.71 0.00 0.00 52.55 50.28 1mux s ASP 2 Cb 0.00 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.20 1mux s ASP 2 CO 0.00 -0.28 0.00 1.67 0.21 0.00 0.00 175.17 176.77 1mux n GLN 3 N 3.22 0.00 -4.17 8.23 7.27 -1.26 -5.12 117.38 125.55 1mux n GLN 3 Ca 0.06 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.94 1mux n GLN 3 Cb 0.34 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.83 1mux n GLN 3 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1mux s LEU 4 N -3.06 1.44 0.21 1.69 1.43 -1.26 -4.98 118.68 114.15 1mux s LEU 4 Ca 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1mux s LEU 4 Cb 0.00 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.81 1mux s LEU 4 CO 0.00 -0.03 0.00 0.35 0.23 0.00 0.00 176.35 176.90 1mux n THR 5 N 3.85 0.00 0.07 5.49 -2.24 -1.26 -4.89 114.28 115.29 1mux n THR 5 Ca -0.24 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1mux n THR 5 Cb 0.52 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1mux n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1mux h GLU 6 N 0.00 0.00 0.14 -0.78 4.11 -2.01 -3.38 114.58 112.66 1mux h GLU 6 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1mux h GLU 6 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1mux h GLU 6 CO 0.00 0.20 -0.27 1.49 0.07 0.00 0.00 179.01 180.50 1mux h GLU 7 N 0.00 -0.47 -0.73 1.06 4.81 -1.93 -1.82 114.58 115.49 1mux h GLU 7 Ca -0.09 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.31 1mux h GLU 7 Cb 1.36 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.75 1mux h GLU 7 CO 0.03 -0.31 0.25 1.96 -0.73 0.00 0.00 179.01 180.20 1mux h GLN 8 N -0.49 0.36 -0.95 1.92 4.20 -1.97 0.15 115.11 118.34 1mux h GLN 8 Ca 0.02 -0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.86 1mux h GLN 8 Cb 0.51 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.11 1mux h GLN 8 CO -0.14 0.24 0.56 0.82 -0.67 0.00 0.00 178.83 179.64 1mux h ILE 9 N 0.37 0.80 -0.57 2.54 1.08 -1.51 -0.22 117.51 120.00 1mux h ILE 9 Ca 0.40 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1mux h ILE 9 Cb 0.63 -0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 1mux h ILE 9 CO -0.43 0.15 0.37 0.00 -0.69 0.00 0.00 178.15 177.55 1mux h ALA 10 N 1.57 0.72 -0.25 1.87 0.00 -0.18 -1.71 119.26 121.28 1mux h ALA 10 Ca 0.51 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.44 1mux h ALA 10 Cb 0.66 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1mux h ALA 10 CO -0.33 0.15 -0.14 1.49 0.00 0.00 0.00 179.25 180.42 1mux h GLU 11 N 0.76 -0.11 -0.37 0.00 4.81 -0.71 0.11 114.58 119.06 1mux h GLU 11 Ca 0.21 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1mux h GLU 11 Cb -0.08 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1mux h GLU 11 CO -0.05 -0.08 0.21 0.74 -0.73 0.00 0.00 179.01 179.10 1mux h PHE 12 N -0.12 0.49 0.00 0.92 0.04 -1.17 -0.72 116.94 116.38 1mux h PHE 12 Ca 0.13 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 1mux h PHE 12 Cb 0.32 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1mux h PHE 12 CO -0.32 0.34 -0.23 0.87 -0.60 0.00 0.00 178.31 178.38 1mux h LYS 13 N 0.51 0.00 0.11 1.51 1.57 -0.09 -2.01 116.57 118.17 1mux h LYS 13 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1mux h LYS 13 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1mux h LYS 13 CO -0.02 0.23 -0.05 0.93 -0.57 0.00 0.00 179.45 179.96 1mux h GLU 14 N 0.00 -0.14 -0.55 3.15 4.39 -0.04 -2.21 114.58 119.19 1mux h GLU 14 Ca -0.00 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1mux h GLU 14 Cb 0.48 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1mux h GLU 14 CO 0.03 0.37 0.36 0.00 -1.16 0.00 0.00 179.01 178.61 1mux h ALA 15 N -0.11 1.73 0.28 3.43 0.00 -1.42 -2.02 119.26 121.16 1mux h ALA 15 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1mux h ALA 15 Cb 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1mux h ALA 15 CO 0.02 0.21 -0.14 0.35 0.00 0.00 0.00 179.25 179.70 1mux h PHE 16 N 0.63 -0.35 -0.05 0.00 3.04 -1.38 -2.42 116.94 116.41 1mux h PHE 16 Ca 0.22 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.17 1mux h PHE 16 Cb 0.10 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.72 1mux h PHE 16 CO -0.00 -0.02 0.18 0.77 -2.02 0.00 0.00 178.31 177.22 1mux h SER 17 N -0.73 0.00 0.52 0.41 0.02 -1.09 0.29 113.55 112.97 1mux h SER 17 Ca -0.04 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.65 1mux h SER 17 Cb 0.49 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.04 1mux h SER 17 CO 0.06 0.00 -1.15 0.25 -1.14 0.00 0.00 176.83 174.85 1mux h LEU 18 N 0.00 0.48 0.27 5.07 7.12 -1.01 -3.35 115.31 123.89 1mux h LEU 18 Ca 0.02 -0.47 -0.01 0.00 0.13 0.00 0.00 57.88 57.55 1mux h LEU 18 Cb 0.38 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 1mux h LEU 18 CO -0.00 1.33 -0.13 -0.26 -0.13 0.00 0.00 178.44 179.25 1mux h PHE 19 N 0.13 -0.34 -1.72 1.25 0.04 -0.47 -3.42 116.94 112.40 1mux h PHE 19 Ca -0.12 -0.01 -0.62 0.00 2.80 0.00 0.00 57.97 60.02 1mux h PHE 19 Cb 1.85 0.11 -0.00 0.00 2.20 0.00 0.00 35.95 40.11 1mux h PHE 19 CO 0.07 0.02 1.36 -0.25 -0.60 0.00 0.00 178.31 178.90 1mux n ASP 20 N -5.05 2.99 -2.97 2.17 9.92 -1.00 -4.66 116.55 117.96 1mux n ASP 20 Ca -0.08 0.50 -0.34 0.00 -0.53 0.00 0.00 54.79 54.34 1mux n ASP 20 Cb 0.26 -1.41 0.01 0.00 -0.64 0.00 0.00 41.12 39.34 1mux n ASP 20 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1mux n LYS 21 N 7.97 3.67 0.00 -1.24 5.02 -1.26 -4.57 118.16 127.76 1mux n LYS 21 Ca 0.31 -4.36 0.00 0.00 -2.02 0.00 0.00 58.31 52.24 1mux n LYS 21 Cb 0.34 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 1mux n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1mux n ASP 22 N -0.35 0.00 0.00 4.39 5.75 -1.26 -5.03 116.55 120.05 1mux n ASP 22 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.21 1mux n ASP 22 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1mux n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 23 N -1.15 1.03 0.20 6.12 0.00 -1.26 -5.06 105.19 105.06 1mux n GLY 23 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1mux n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mux n ASP 24 N 0.00 0.42 0.00 1.61 2.03 -1.26 -5.07 116.55 114.28 1mux n ASP 24 Ca 0.00 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1mux n ASP 24 Cb 0.00 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 1mux n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mux n GLY 25 N 1.85 0.41 3.39 0.27 0.00 -1.26 -5.15 105.19 104.69 1mux n GLY 25 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1mux n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mux s THR 26 N -0.41 0.01 -0.47 2.61 -4.23 -1.26 -4.48 115.64 107.41 1mux s THR 26 Ca 0.00 -0.11 -0.18 0.00 -1.18 0.00 0.00 61.69 60.22 1mux s THR 26 Cb 0.00 -0.74 0.05 0.00 1.34 0.00 0.00 72.50 73.15 1mux s THR 26 CO 0.00 -0.06 0.51 -0.63 -0.54 0.00 0.00 174.62 173.89 1mux s ILE 27 N -0.37 5.03 0.41 2.99 1.01 -1.00 -4.84 121.20 124.43 1mux s ILE 27 Ca -0.05 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1mux s ILE 27 Cb -0.03 -4.16 0.06 0.00 0.01 0.00 0.00 42.46 38.33 1mux s ILE 27 CO 0.03 -0.61 0.48 0.35 0.00 0.00 0.00 174.94 175.20 1mux n THR 28 N 5.46 0.00 0.21 2.92 -2.24 -1.26 -2.49 114.28 116.89 1mux n THR 28 Ca -0.08 -1.45 0.07 0.00 -2.27 0.00 0.00 64.05 60.32 1mux n THR 28 Cb 0.46 -0.49 0.48 0.00 -2.10 0.00 0.00 70.33 68.68 1mux n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1mux h THR 29 N 0.25 0.87 0.44 4.28 1.35 -1.97 -1.87 112.91 116.26 1mux h THR 29 Ca -0.21 -1.09 -0.02 0.00 -0.55 0.00 0.00 66.41 64.53 1mux h THR 29 Cb 0.90 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1mux h THR 29 CO 0.32 0.27 -0.21 0.50 -0.25 0.00 0.00 175.52 176.15 1mux h LYS 30 N 0.00 -0.57 0.27 4.72 3.64 -1.98 0.16 116.57 122.82 1mux h LYS 30 Ca -0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1mux h LYS 30 Cb 0.63 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1mux h LYS 30 CO 0.04 -0.38 -0.29 0.93 -2.27 0.00 0.00 179.45 177.48 1mux h GLU 31 N -0.91 -0.58 -0.09 1.90 5.08 -1.91 0.91 114.58 118.98 1mux h GLU 31 Ca -0.06 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1mux h GLU 31 Cb 0.45 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1mux h GLU 31 CO 0.10 -0.39 0.14 1.25 -1.00 0.00 0.00 179.01 179.11 1mux h LEU 32 N -0.60 0.00 -0.25 1.33 5.85 -1.44 -0.68 115.31 119.51 1mux h LEU 32 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1mux h LEU 32 Cb 0.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1mux h LEU 32 CO -0.07 0.00 0.11 1.23 -0.34 0.00 0.00 178.44 179.37 1mux h GLY 33 N 0.00 0.40 2.00 3.75 0.00 0.19 -1.53 103.07 107.88 1mux h GLY 33 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1mux h GLY 33 CO -0.00 0.20 0.00 2.41 0.00 0.00 0.00 176.54 179.15 1mux n THR 34 N -4.80 0.60 0.10 4.70 -1.04 -0.35 -1.91 114.28 111.59 1mux n THR 34 Ca -0.03 -0.19 -0.18 0.00 -2.04 0.00 0.00 64.05 61.61 1mux n THR 34 Cb 0.12 -0.66 -0.12 0.00 -1.82 0.00 0.00 70.33 67.84 1mux n THR 34 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1mux h VAL 35 N 0.00 1.41 0.10 12.58 2.07 -0.62 -2.36 116.25 129.43 1mux h VAL 35 Ca 0.00 -2.79 -0.35 0.00 0.82 0.00 0.00 66.70 64.38 1mux h VAL 35 Cb 0.67 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.22 1mux h VAL 35 CO 0.00 0.83 -1.97 0.23 0.02 0.00 0.00 177.57 176.68 1mux n MET 36 N -3.64 0.73 0.06 1.57 2.81 -0.64 -3.28 117.12 114.72 1mux n MET 36 Ca -0.10 0.26 -0.14 0.00 -1.81 0.00 0.00 57.70 55.91 1mux n MET 36 Cb 0.99 -1.72 -0.05 0.00 -0.71 0.00 0.00 33.22 31.73 1mux n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mux h ARG 37 N 0.06 0.45 0.00 0.03 3.08 -1.53 -2.95 114.38 113.51 1mux h ARG 37 Ca -0.41 -0.48 -0.07 0.00 0.07 0.00 0.00 59.98 59.10 1mux h ARG 37 Cb 2.03 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 32.20 1mux h ARG 37 CO 0.08 1.13 -0.33 1.03 -1.07 0.00 0.00 179.97 180.81 1mux h SER 38 N 0.26 0.00 -2.03 7.04 0.87 -1.61 -3.08 113.55 115.00 1mux h SER 38 Ca -0.08 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.89 1mux h SER 38 Cb 1.58 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 63.12 1mux h SER 38 CO 0.17 0.33 -0.66 0.18 -0.53 0.00 0.00 176.83 176.32 1mux n LEU 39 N -3.27 4.59 0.00 2.23 7.99 -1.21 -4.78 117.00 122.56 1mux n LEU 39 Ca 0.02 -5.53 0.00 0.00 -0.01 0.00 0.00 56.01 50.49 1mux n LEU 39 Cb 0.60 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 1mux n LEU 39 CO 0.37 2.32 0.00 0.61 -1.51 0.00 0.00 177.39 179.18 1mux n GLY 40 N -0.33 -0.00 3.46 -0.72 0.00 -1.12 -4.83 105.19 101.65 1mux n GLY 40 Ca 0.34 -0.26 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 1mux n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mux n GLN 41 N 0.00 0.63 0.16 1.61 7.27 -1.16 -4.33 117.38 121.56 1mux n GLN 41 Ca 0.00 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1mux n GLN 41 Cb 0.00 -2.28 0.00 0.00 2.41 0.00 0.00 30.24 30.37 1mux n GLN 41 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1mux n ASN 42 N 11.09 -2.82 -3.62 1.69 3.02 -1.26 -5.09 115.26 118.27 1mux n ASN 42 Ca 0.49 0.61 -0.28 0.00 -0.03 0.00 0.00 54.58 55.37 1mux n ASN 42 Cb 0.21 2.78 0.22 0.00 -0.61 0.00 0.00 39.78 42.38 1mux n ASN 42 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1mux n PRO 43 N -3.14 -2.32 -3.37 3.52 -0.04 -1.26 -5.09 135.00 123.30 1mux n PRO 43 Ca 0.00 -1.78 -0.13 0.00 -0.04 0.00 0.00 63.50 61.55 1mux n PRO 43 Cb 0.00 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 1mux n PRO 43 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1mux n THR 44 N -4.35 0.00 -0.29 0.52 5.66 -1.26 -4.88 114.28 109.67 1mux n THR 44 Ca 0.15 -1.41 -0.04 0.00 -3.05 0.00 0.00 64.05 59.70 1mux n THR 44 Cb 0.56 0.59 0.07 0.00 -1.55 0.00 0.00 70.33 70.00 1mux n THR 44 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1mux h GLU 45 N 0.00 1.06 0.10 1.09 4.81 -1.97 -0.76 114.58 118.92 1mux h GLU 45 Ca -0.17 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1mux h GLU 45 Cb 0.71 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1mux h GLU 45 CO 0.25 0.71 -0.05 0.00 -0.73 0.00 0.00 179.01 179.19 1mux h ALA 46 N 1.29 -0.66 -0.80 2.92 0.00 -2.00 -2.25 119.26 117.76 1mux h ALA 46 Ca 0.29 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.41 1mux h ALA 46 Cb -0.12 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1mux h ALA 46 CO -0.06 -0.65 0.82 1.49 0.00 0.00 0.00 179.25 180.84 1mux h GLU 47 N -0.19 0.00 -0.02 0.00 4.81 -1.96 0.25 114.58 117.47 1mux h GLU 47 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1mux h GLU 47 Cb 0.10 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1mux h GLU 47 CO 0.02 0.00 -0.02 1.25 -0.73 0.00 0.00 179.01 179.53 1mux h LEU 48 N 0.00 0.05 -0.93 1.64 6.46 -1.01 -1.62 115.31 119.90 1mux h LEU 48 Ca 0.38 -0.53 0.15 0.00 -0.12 0.00 0.00 57.88 57.77 1mux h LEU 48 Cb 2.01 -0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 41.83 1mux h LEU 48 CO -0.00 0.57 0.54 -0.61 -0.62 0.00 0.00 178.44 178.31 1mux h GLN 49 N -0.46 0.73 -0.31 1.25 4.15 0.11 0.44 115.11 121.01 1mux h GLN 49 Ca 0.00 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 1mux h GLN 49 Cb 0.56 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1mux h GLN 49 CO 0.01 0.48 -0.19 -0.44 -1.93 0.00 0.00 178.83 176.76 1mux h ASP 50 N 0.75 0.57 0.61 -0.69 5.19 -1.42 -1.16 116.42 120.28 1mux h ASP 50 Ca 0.51 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 1mux h ASP 50 Cb 0.69 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1mux h ASP 50 CO -0.35 0.77 0.00 -0.03 -3.12 0.00 0.00 179.24 176.51 1mux h MET 51 N 0.51 0.00 0.08 3.56 4.05 0.82 -2.67 114.93 121.28 1mux h MET 51 Ca 0.08 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.18 1mux h MET 51 Cb 0.62 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 1mux h MET 51 CO 0.04 0.00 -1.76 0.82 0.23 0.00 0.00 176.91 176.24 1mux h ILE 52 N 0.00 0.85 -0.68 1.77 2.04 0.12 -3.37 117.51 118.24 1mux h ILE 52 Ca 0.00 -2.60 0.13 0.00 1.00 0.00 0.00 64.86 63.38 1mux h ILE 52 Cb 0.31 2.55 -0.09 0.00 -0.74 0.00 0.00 36.82 38.84 1mux h ILE 52 CO 0.00 0.73 0.23 0.78 0.00 0.00 0.00 178.15 179.89 1mux h ASN 53 N 0.04 0.17 -0.61 1.72 -0.26 -1.09 0.83 115.58 116.39 1mux h ASN 53 Ca -0.32 0.11 0.08 0.00 -0.56 0.00 0.00 56.30 55.61 1mux h ASN 53 Cb 2.02 0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 39.35 1mux h ASN 53 CO 0.11 0.07 0.40 1.05 -1.06 0.00 0.00 177.43 178.00 1mux h GLU 54 N 0.37 0.48 0.00 0.81 4.11 -1.72 -3.29 114.58 115.35 1mux h GLU 54 Ca 0.37 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1mux h GLU 54 Cb 0.54 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1mux h GLU 54 CO -0.39 0.32 0.00 0.28 0.07 0.00 0.00 179.01 179.28 1mux n VAL 55 N -4.48 0.00 -1.68 -1.06 0.31 0.11 -4.82 118.33 106.72 1mux n VAL 55 Ca 0.09 0.41 -0.46 0.00 -0.01 0.00 0.00 64.34 64.38 1mux n VAL 55 Cb 0.31 -1.28 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 1mux n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1mux n ASP 56 N -1.87 3.52 -0.57 4.52 2.03 -0.19 -4.85 116.55 119.13 1mux n ASP 56 Ca 0.00 1.01 0.06 0.00 0.52 0.00 0.00 54.79 56.37 1mux n ASP 56 Cb 0.00 -1.44 0.11 0.00 -0.72 0.00 0.00 41.12 39.07 1mux n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mux n ALA 57 N 5.48 2.32 0.15 -1.67 0.00 -1.26 -4.47 120.51 121.06 1mux n ALA 57 Ca 0.20 -0.89 0.06 0.00 0.00 0.00 0.00 53.44 52.81 1mux n ALA 57 Cb 0.32 -0.42 0.05 0.00 0.00 0.00 0.00 19.45 19.40 1mux n ALA 57 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1mux h ASP 58 N 2.19 0.00 0.00 0.00 3.32 -1.92 -3.47 116.42 116.54 1mux h ASP 58 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mux h ASP 58 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1mux h ASP 58 CO 0.00 0.32 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 1mux n GLY 59 N 1.20 0.51 0.12 2.75 0.00 -1.26 -4.92 105.19 103.59 1mux n GLY 59 Ca 0.01 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 1mux n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mux n ASN 60 N 0.79 1.76 0.00 1.61 6.94 -1.26 -5.02 115.26 120.07 1mux n ASN 60 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 1mux n ASN 60 Cb 0.00 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 1mux n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mux n GLY 61 N 1.91 3.61 3.96 4.83 0.00 -1.26 -5.11 105.19 113.14 1mux n GLY 61 Ca -0.30 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 1mux n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mux s THR 62 N 0.00 3.42 0.23 2.61 -4.23 -1.26 -4.80 115.64 111.60 1mux s THR 62 Ca 0.00 -1.10 0.10 0.00 -1.18 0.00 0.00 61.69 59.51 1mux s THR 62 Cb 0.00 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 1mux s THR 62 CO 0.00 -0.08 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.27 1mux s ILE 63 N -2.30 3.10 0.13 2.99 1.01 -1.04 -4.93 121.20 120.16 1mux s ILE 63 Ca 0.48 -1.90 0.01 0.00 0.00 0.00 0.00 60.65 59.25 1mux s ILE 63 Cb -0.08 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.81 1mux s ILE 63 CO 0.31 -0.25 0.07 0.47 0.00 0.00 0.00 174.94 175.54 1mux n ASP 64 N -0.36 1.67 -0.17 3.58 9.92 -1.26 -2.37 116.55 127.55 1mux n ASP 64 Ca -0.08 -1.49 -0.09 0.00 -0.53 0.00 0.00 54.79 52.60 1mux n ASP 64 Cb 0.57 0.02 0.01 0.00 -0.64 0.00 0.00 41.12 41.08 1mux n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1mux h PHE 65 N 0.68 0.88 -0.09 1.24 3.57 -2.00 -2.00 116.94 119.23 1mux h PHE 65 Ca -0.09 -0.13 -0.15 0.00 3.53 0.00 0.00 57.97 61.14 1mux h PHE 65 Cb 0.31 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1mux h PHE 65 CO 0.00 0.81 -0.59 -1.00 -2.23 0.00 0.00 178.31 175.30 1mux h PRO 66 N 0.70 0.29 -0.00 6.41 0.13 -1.98 -1.88 132.00 135.67 1mux h PRO 66 Ca 0.15 -0.19 -0.12 0.00 -0.87 0.00 0.00 66.00 64.96 1mux h PRO 66 Cb 0.41 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 1mux h PRO 66 CO 0.01 0.79 -0.57 0.93 -0.23 0.00 0.00 178.00 178.93 1mux h GLU 67 N 0.22 0.01 -0.11 0.86 5.08 -1.93 -0.92 114.58 117.80 1mux h GLU 67 Ca -0.00 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1mux h GLU 67 Cb 1.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.35 1mux h GLU 67 CO 0.09 0.58 -0.55 0.35 -1.00 0.00 0.00 179.01 178.49 1mux h PHE 68 N 0.01 0.76 0.00 4.33 3.57 -1.17 -2.53 116.94 121.91 1mux h PHE 68 Ca -0.01 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1mux h PHE 68 Cb 1.01 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1mux h PHE 68 CO 0.00 1.12 0.00 -0.11 -2.23 0.00 0.00 178.31 177.10 1mux n LEU 69 N -4.19 0.35 -0.01 0.59 7.94 -0.72 -2.26 117.00 118.70 1mux n LEU 69 Ca -0.08 0.55 -0.05 0.00 -1.11 0.00 0.00 56.01 55.31 1mux n LEU 69 Cb 0.62 -0.45 -0.12 0.00 0.53 0.00 0.00 43.42 44.00 1mux n LEU 69 CO 0.47 -0.17 -0.47 0.41 -1.11 0.00 0.00 177.39 176.52 1mux n THR 70 N -1.84 1.44 -0.01 1.96 -1.04 -0.36 -3.02 114.28 111.42 1mux n THR 70 Ca 0.05 -0.76 -0.18 0.00 -2.04 0.00 0.00 64.05 61.13 1mux n THR 70 Cb 0.33 -0.90 -0.14 0.00 -1.82 0.00 0.00 70.33 67.80 1mux n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1mux n MET 71 N -2.97 0.72 0.02 -2.82 0.00 -0.96 -4.15 117.12 106.95 1mux n MET 71 Ca -0.15 0.27 0.12 0.00 -0.00 0.00 0.00 57.70 57.93 1mux n MET 71 Cb 0.98 -1.73 0.16 0.00 0.00 0.00 0.00 33.22 32.63 1mux n MET 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1mux n MET 72 N -3.34 0.11 0.11 2.12 2.81 -0.96 -4.07 117.12 113.90 1mux n MET 72 Ca -0.28 0.01 0.05 0.00 -1.81 0.00 0.00 57.70 55.67 1mux n MET 72 Cb 1.05 -1.55 0.01 0.00 -0.71 0.00 0.00 33.22 32.02 1mux n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mux h ALA 73 N 2.82 0.68 0.06 3.04 0.00 -1.72 -3.37 119.26 120.77 1mux h ALA 73 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1mux h ALA 73 Cb 0.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1mux h ALA 73 CO 0.00 0.50 -0.03 -0.09 0.00 0.00 0.00 179.25 179.63 1mux h ARG 74 N 0.00 -0.07 -6.72 0.00 2.43 -1.72 -3.44 114.38 104.86 1mux h ARG 74 Ca -0.05 0.01 -0.51 0.00 -0.81 0.00 0.00 59.98 58.62 1mux h ARG 74 Cb 1.31 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1mux h ARG 74 CO 0.04 0.52 0.43 0.15 -1.51 0.00 0.00 179.97 179.60 1mux s LYS 75 N -3.27 4.69 -0.29 0.20 1.02 -1.26 -5.02 119.74 115.81 1mux s LYS 75 Ca -0.15 1.66 -0.21 0.00 0.02 0.00 0.00 55.97 57.29 1mux s LYS 75 Cb -0.00 -3.26 0.17 0.00 -0.52 0.00 0.00 37.83 34.22 1mux s LYS 75 CO 0.58 0.25 1.21 1.41 -0.92 0.00 0.00 175.35 177.88 1mux s MET 76 N -0.87 0.21 0.00 1.68 1.75 -1.26 -4.94 119.30 115.87 1mux s MET 76 Ca 0.45 0.31 0.00 0.00 -1.25 0.00 0.00 55.69 55.20 1mux s MET 76 Cb -0.29 0.08 0.00 0.00 2.84 0.00 0.00 34.83 37.46 1mux s MET 76 CO 0.35 -0.03 0.00 1.63 -0.65 0.00 0.00 175.02 176.32 1mux n LYS 77 N 2.58 1.30 0.15 4.11 5.02 -1.26 -5.06 118.16 125.00 1mux n LYS 77 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1mux n LYS 77 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.58 1mux n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1mux n ASP 78 N -1.66 -2.70 -4.47 4.39 -0.08 -1.26 -5.10 116.55 105.67 1mux n ASP 78 Ca 0.00 0.65 -0.37 0.00 -1.51 0.00 0.00 54.79 53.56 1mux n ASP 78 Cb 0.00 2.66 -0.12 0.00 2.34 0.00 0.00 41.12 46.00 1mux n ASP 78 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1mux s THR 79 N -1.74 4.55 -0.79 5.18 -4.23 -1.26 -5.01 115.64 112.34 1mux s THR 79 Ca 0.00 -0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1mux s THR 79 Cb 0.00 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.96 1mux s THR 79 CO 0.00 0.27 1.13 -0.67 -0.54 0.00 0.00 174.62 174.81 1mux n ASP 80 N 4.96 5.10 -4.16 3.99 2.03 -1.26 -5.02 116.55 122.20 1mux n ASP 80 Ca -0.15 -3.53 -0.11 0.00 0.52 0.00 0.00 54.79 51.52 1mux n ASP 80 Cb 0.51 -0.87 -0.10 0.00 -0.72 0.00 0.00 41.12 39.94 1mux n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1mux s SER 81 N -2.38 1.11 -0.16 1.67 0.15 -1.26 -5.16 113.70 107.67 1mux s SER 81 Ca 0.40 -0.95 -0.30 0.00 0.70 0.00 0.00 55.95 55.79 1mux s SER 81 Cb 0.16 0.09 0.12 0.00 -1.71 0.00 0.00 66.02 64.68 1mux s SER 81 CO -0.02 -0.44 0.98 -1.83 1.20 0.00 0.00 173.24 173.13 1mux s GLU 82 N -3.58 0.61 -0.07 5.44 -1.05 -1.26 -5.05 118.70 113.75 1mux s GLU 82 Ca 0.09 0.16 0.13 0.00 -0.15 0.00 0.00 54.97 55.20 1mux s GLU 82 Cb 0.04 0.29 0.25 0.00 -0.44 0.00 0.00 34.13 34.26 1mux s GLU 82 CO -0.04 -0.19 1.12 -1.91 0.95 0.00 0.00 175.26 175.19 1mux n GLU 83 N 0.77 0.62 0.16 -4.83 2.13 -1.26 -4.77 120.64 113.46 1mux n GLU 83 Ca -0.11 -2.05 0.04 0.00 0.66 0.00 0.00 57.16 55.70 1mux n GLU 83 Cb 0.58 -0.85 0.14 0.00 0.27 0.00 0.00 31.44 31.58 1mux n GLU 83 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1mux h GLU 84 N 0.40 0.00 -1.10 5.31 -0.00 -2.02 -3.22 114.58 113.95 1mux h GLU 84 Ca -0.05 0.00 0.30 0.00 -0.00 0.00 0.00 59.36 59.61 1mux h GLU 84 Cb 1.34 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 30.00 1mux h GLU 84 CO 0.02 0.45 0.73 0.97 -0.00 0.00 0.00 179.01 181.18 1mux h ILE 85 N 0.00 0.45 -0.13 -1.06 6.09 -2.01 0.25 117.51 121.11 1mux h ILE 85 Ca -0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1mux h ILE 85 Cb 1.21 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 38.66 1mux h ILE 85 CO 0.06 0.05 0.09 -0.09 -3.07 0.00 0.00 178.15 175.18 1mux h ARG 86 N 0.27 0.17 -0.89 2.19 2.43 -1.95 -1.98 114.38 114.61 1mux h ARG 86 Ca 0.61 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.89 1mux h ARG 86 Cb 1.79 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 31.22 1mux h ARG 86 CO -0.24 0.11 0.52 0.93 -1.51 0.00 0.00 179.97 179.78 1mux h GLU 87 N 0.18 0.79 -0.39 0.20 4.39 -0.71 -0.70 114.58 118.33 1mux h GLU 87 Ca 0.05 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1mux h GLU 87 Cb -0.02 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 1mux h GLU 87 CO -0.01 0.52 0.23 0.00 -1.16 0.00 0.00 179.01 178.59 1mux h ALA 88 N 1.51 0.49 0.00 3.43 0.00 -1.06 -0.35 119.26 123.28 1mux h ALA 88 Ca 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1mux h ALA 88 Cb 0.49 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mux h ALA 88 CO -0.29 -0.10 -0.01 0.35 0.00 0.00 0.00 179.25 179.20 1mux h PHE 89 N 0.47 0.00 -0.00 0.00 3.57 -0.47 -1.98 116.94 118.53 1mux h PHE 89 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1mux h PHE 89 Cb -0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1mux h PHE 89 CO -0.07 0.01 -0.02 -0.09 -2.23 0.00 0.00 178.31 175.91 1mux h ARG 90 N 0.00 0.02 -0.05 1.11 1.12 -0.13 -2.16 114.38 114.30 1mux h ARG 90 Ca -0.00 -0.02 -0.23 0.00 -1.11 0.00 0.00 59.98 58.62 1mux h ARG 90 Cb 0.18 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.16 1mux h ARG 90 CO 0.00 0.72 -0.86 -0.39 -3.11 0.00 0.00 179.97 176.33 1mux h VAL 91 N -0.67 1.31 0.00 0.20 -1.51 -1.28 -3.21 116.25 111.09 1mux h VAL 91 Ca -0.00 -2.11 -0.11 0.00 -1.23 0.00 0.00 66.70 63.24 1mux h VAL 91 Cb 0.72 2.31 -0.02 0.00 -2.13 0.00 0.00 31.29 32.17 1mux h VAL 91 CO 0.00 0.65 -0.52 -0.26 -1.23 0.00 0.00 177.57 176.21 1mux h PHE 92 N 0.32 0.00 -1.82 5.19 0.04 -1.50 -3.26 116.94 115.91 1mux h PHE 92 Ca -0.09 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.00 1mux h PHE 92 Cb 1.52 0.00 -0.35 0.00 2.20 0.00 0.00 35.95 39.31 1mux h PHE 92 CO 0.11 0.52 0.07 -3.47 -0.60 0.00 0.00 178.31 174.94 1mux n ASP 93 N -3.65 5.93 -0.15 2.17 -0.08 -0.81 -4.71 116.55 115.25 1mux n ASP 93 Ca -0.01 -3.76 0.12 0.00 -1.51 0.00 0.00 54.79 49.63 1mux n ASP 93 Cb 0.58 -0.75 0.63 0.00 2.34 0.00 0.00 41.12 43.92 1mux n ASP 93 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1mux n LYS 94 N -0.45 1.20 0.05 -0.67 2.85 -1.21 -3.68 118.16 116.25 1mux n LYS 94 Ca 0.44 -0.29 -0.20 0.00 -1.05 0.00 0.00 58.31 57.22 1mux n LYS 94 Cb 0.45 -1.39 -0.14 0.00 -0.65 0.00 0.00 35.03 33.30 1mux n LYS 94 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1mux h ASP 95 N 0.63 0.47 0.00 -5.58 3.04 -1.91 -3.49 116.42 109.59 1mux h ASP 95 Ca 0.00 -0.73 0.00 0.00 -3.24 0.00 0.00 57.03 53.06 1mux h ASP 95 Cb 0.14 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.27 1mux h ASP 95 CO 0.00 1.62 0.00 0.61 -2.04 0.00 0.00 179.24 179.43 1mux n GLY 96 N 1.79 0.70 0.00 7.15 0.00 -1.24 -5.04 105.19 108.55 1mux n GLY 96 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1mux n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mux n ASN 97 N 0.00 4.07 0.00 1.61 6.94 -1.26 -5.04 115.26 121.58 1mux n ASN 97 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1mux n ASN 97 Cb 0.00 0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mux n GLY 98 N 2.81 1.01 3.20 4.83 0.00 -1.26 -5.09 105.19 110.69 1mux n GLY 98 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1mux n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mux s TYR 99 N -2.00 0.35 -0.26 1.61 2.02 -1.26 -4.49 117.35 113.31 1mux s TYR 99 Ca 0.00 -0.79 -0.07 0.00 -0.37 0.00 0.00 57.07 55.84 1mux s TYR 99 Cb 0.00 -0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.37 1mux s TYR 99 CO 0.00 -0.53 0.07 0.42 -1.57 0.00 0.00 175.55 173.94 1mux s ILE 100 N -3.91 4.17 0.30 2.71 1.01 -0.84 -4.68 121.20 119.97 1mux s ILE 100 Ca 0.09 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.46 1mux s ILE 100 Cb 0.06 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1mux s ILE 100 CO -0.08 0.26 0.37 -0.44 0.00 0.00 0.00 174.94 175.06 1mux s SER 101 N 1.58 5.84 0.10 3.58 0.01 -1.26 -2.68 113.70 120.87 1mux s SER 101 Ca 0.05 -0.21 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 1mux s SER 101 Cb -0.16 -1.34 -0.11 0.00 0.21 0.00 0.00 66.02 64.63 1mux s SER 101 CO 0.03 -0.28 1.73 0.00 0.41 0.00 0.00 173.24 175.13 1mux h ALA 102 N 1.11 0.07 -0.45 1.44 0.00 -1.93 -2.12 119.26 117.37 1mux h ALA 102 Ca -0.47 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.55 1mux h ALA 102 Cb 1.25 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1mux h ALA 102 CO 0.57 -0.47 -0.14 0.00 0.00 0.00 0.00 179.25 179.21 1mux h ALA 103 N 1.06 0.26 -0.49 0.00 0.00 -1.98 -1.09 119.26 117.02 1mux h ALA 103 Ca 0.04 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1mux h ALA 103 Cb 0.04 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1mux h ALA 103 CO -0.06 -0.47 0.27 0.93 0.00 0.00 0.00 179.25 179.91 1mux h GLU 104 N -0.03 0.51 -0.03 0.00 5.08 -1.82 -0.53 114.58 117.76 1mux h GLU 104 Ca 0.22 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1mux h GLU 104 Cb 0.37 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1mux h GLU 104 CO -0.49 0.34 0.05 1.25 -1.00 0.00 0.00 179.01 179.16 1mux h LEU 105 N 0.52 0.00 0.11 1.33 5.85 -0.56 -2.00 115.31 120.57 1mux h LEU 105 Ca 0.21 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.72 1mux h LEU 105 Cb 0.08 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.13 1mux h LEU 105 CO -0.12 0.00 -0.88 -0.09 -0.34 0.00 0.00 178.44 177.00 1mux h ARG 106 N 0.00 0.41 -0.01 1.25 9.65 -0.23 -2.73 114.38 122.71 1mux h ARG 106 Ca 0.02 -0.58 -0.09 0.00 -1.10 0.00 0.00 59.98 58.22 1mux h ARG 106 Cb 0.11 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1mux h ARG 106 CO -0.00 1.25 -0.40 0.45 2.80 0.00 0.00 179.97 184.06 1mux h HIS 107 N -0.14 0.03 -0.01 2.20 3.86 -0.99 -2.68 115.15 117.43 1mux h HIS 107 Ca -0.14 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 1mux h HIS 107 Cb 1.64 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.11 1mux h HIS 107 CO 0.16 0.43 -0.21 0.28 0.86 0.00 0.00 177.93 179.45 1mux h VAL 108 N 0.02 1.53 0.00 2.45 2.07 -1.46 -3.05 116.25 117.82 1mux h VAL 108 Ca -0.00 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1mux h VAL 108 Cb 0.73 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1mux h VAL 108 CO 0.05 0.51 0.00 0.23 0.02 0.00 0.00 177.57 178.38 1mux n MET 109 N -4.54 0.02 0.02 1.57 2.00 -1.03 -1.77 117.12 113.38 1mux n MET 109 Ca -0.09 0.38 -0.01 0.00 0.00 0.00 0.00 57.70 57.97 1mux n MET 109 Cb 0.47 -1.54 -0.09 0.00 0.00 0.00 0.00 33.22 32.07 1mux n MET 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1mux n THR 110 N -1.57 1.25 -0.09 2.03 -2.24 -1.01 -1.33 114.28 111.32 1mux n THR 110 Ca 0.02 -0.71 -0.16 0.00 -2.27 0.00 0.00 64.05 60.93 1mux n THR 110 Cb 0.10 -0.79 -0.09 0.00 -2.10 0.00 0.00 70.33 67.45 1mux n THR 110 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1mux h ASN 111 N 0.00 0.00 0.00 3.42 4.21 -1.25 -3.41 115.58 118.55 1mux h ASN 111 Ca -0.18 -0.41 0.00 0.00 1.21 0.00 0.00 56.30 56.92 1mux h ASN 111 Cb 1.65 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.85 1mux h ASN 111 CO 0.05 1.22 0.00 0.18 -1.29 0.00 0.00 177.43 177.59 1mux n LEU 112 N -4.51 0.00 0.00 1.61 4.77 -0.85 -4.85 117.00 113.17 1mux n LEU 112 Ca -0.22 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1mux n LEU 112 Cb 0.53 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1mux n LEU 112 CO 0.17 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 1mux n GLY 113 N -0.94 0.00 3.12 -0.72 0.00 -1.25 -5.12 105.19 100.26 1mux n GLY 113 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1mux n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mux s GLU 114 N 0.00 2.87 -0.91 1.61 2.02 -0.44 -5.04 118.70 118.81 1mux s GLU 114 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1mux s GLU 114 Cb 0.00 -2.44 0.30 0.00 0.10 0.00 0.00 34.13 32.09 1mux s GLU 114 CO 0.00 -0.16 1.35 1.63 0.02 0.00 0.00 175.26 178.10 1mux n LYS 115 N 4.49 4.18 -2.42 1.61 4.01 -1.26 -4.21 118.16 124.55 1mux n LYS 115 Ca -0.20 -4.66 -0.25 0.00 -0.51 0.00 0.00 58.31 52.70 1mux n LYS 115 Cb 0.50 -2.41 0.05 0.00 -0.51 0.00 0.00 35.03 32.66 1mux n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1mux s LEU 116 N -3.24 3.11 0.56 -0.35 1.02 -1.26 -5.08 118.68 113.44 1mux s LEU 116 Ca 0.37 0.41 -0.06 0.00 0.02 0.00 0.00 54.13 54.88 1mux s LEU 116 Cb 0.14 -3.19 -0.01 0.00 0.02 0.00 0.00 46.19 43.16 1mux s LEU 116 CO -0.01 -1.27 0.88 -0.89 0.02 0.00 0.00 176.35 175.08 1mux s THR 117 N -3.01 4.06 0.07 5.49 2.01 -1.26 -4.98 115.64 118.02 1mux s THR 117 Ca 0.57 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.38 1mux s THR 117 Cb -0.11 -3.59 -0.18 0.00 0.01 0.00 0.00 72.50 68.64 1mux s THR 117 CO 0.43 -0.61 1.62 0.44 -0.69 0.00 0.00 174.62 175.81 1mux h ASP 118 N -0.07 -0.49 -1.00 3.53 3.32 -2.01 -2.58 116.42 117.12 1mux h ASP 118 Ca -0.46 -0.00 0.27 0.00 0.02 0.00 0.00 57.03 56.86 1mux h ASP 118 Cb 1.24 0.13 -0.13 0.00 0.22 0.00 0.00 39.33 40.78 1mux h ASP 118 CO 0.61 -0.32 0.57 -0.33 -1.72 0.00 0.00 179.24 178.04 1mux h GLU 119 N -0.62 0.46 0.69 3.56 5.08 -2.00 -1.52 114.58 120.22 1mux h GLU 119 Ca -0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1mux h GLU 119 Cb 0.47 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1mux h GLU 119 CO 0.10 0.30 -0.50 0.93 -1.00 0.00 0.00 179.01 178.84 1mux h GLU 120 N 0.47 -1.10 -1.01 2.33 4.39 -1.85 -1.96 114.58 115.85 1mux h GLU 120 Ca 0.67 0.07 0.27 0.00 0.34 0.00 0.00 59.36 60.72 1mux h GLU 120 Cb 1.38 0.25 -0.13 0.00 -0.10 0.00 0.00 28.75 30.15 1mux h GLU 120 CO -0.53 -0.73 0.60 0.28 -1.16 0.00 0.00 179.01 177.47 1mux h VAL 121 N -1.14 0.45 -0.50 3.13 2.07 -1.16 0.27 116.25 119.37 1mux h VAL 121 Ca -0.09 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1mux h VAL 121 Cb 0.94 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1mux h VAL 121 CO 0.04 0.09 0.23 0.44 0.02 0.00 0.00 177.57 178.38 1mux h ASP 122 N 0.48 0.66 0.89 0.57 3.32 -1.10 -1.79 116.42 119.45 1mux h ASP 122 Ca 0.67 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.58 1mux h ASP 122 Cb 1.41 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 1mux h ASP 122 CO -0.51 0.62 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.53 1mux h GLU 123 N 0.66 0.00 0.04 3.56 4.81 0.20 -2.64 114.58 121.21 1mux h GLU 123 Ca 0.17 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1mux h GLU 123 Cb 0.15 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.54 1mux h GLU 123 CO -0.02 0.02 -0.43 0.52 -0.73 0.00 0.00 179.01 178.37 1mux h MET 124 N 0.00 0.22 0.00 1.92 2.86 -0.35 -2.17 114.93 117.42 1mux h MET 124 Ca -0.00 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.29 1mux h MET 124 Cb 0.47 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1mux h MET 124 CO 0.00 1.06 -0.26 0.82 1.06 0.00 0.00 176.91 179.59 1mux h ILE 125 N -0.48 1.13 0.10 -1.22 1.08 -1.30 -1.98 117.51 114.84 1mux h ILE 125 Ca -0.07 -0.91 -0.00 0.00 -0.39 0.00 0.00 64.86 63.49 1mux h ILE 125 Cb 1.25 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.50 1mux h ILE 125 CO 0.08 0.26 -0.05 0.03 -0.69 0.00 0.00 178.15 177.78 1mux h ARG 126 N 0.00 -0.13 -0.68 2.37 3.08 -1.52 -1.96 114.38 115.54 1mux h ARG 126 Ca -0.00 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1mux h ARG 126 Cb 0.48 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 1mux h ARG 126 CO 0.03 0.33 0.46 0.93 -1.07 0.00 0.00 179.97 180.65 1mux h GLU 127 N -0.93 0.35 -0.04 0.04 4.39 -1.35 -0.38 114.58 116.66 1mux h GLU 127 Ca -0.01 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.44 1mux h GLU 127 Cb 0.52 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1mux h GLU 127 CO 0.02 0.23 -0.91 0.00 -1.16 0.00 0.00 179.01 177.19 1mux h ALA 128 N 1.67 0.33 -0.92 3.43 0.00 -1.41 -3.41 119.26 118.95 1mux h ALA 128 Ca 0.33 -0.67 -0.27 0.00 0.00 0.00 0.00 54.91 54.30 1mux h ALA 128 Cb 0.78 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1mux h ALA 128 CO -0.09 0.75 1.00 -3.47 0.00 0.00 0.00 179.25 177.44 1mux n ASP 129 N -3.82 1.82 -0.08 0.00 -0.08 -0.15 -4.78 116.55 109.46 1mux n ASP 129 Ca -0.08 -0.88 -0.10 0.00 -1.51 0.00 0.00 54.79 52.23 1mux n ASP 129 Cb 0.81 -1.53 -0.03 0.00 2.34 0.00 0.00 41.12 42.71 1mux n ASP 129 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1mux h ILE 130 N 7.69 1.14 0.00 5.18 2.04 -1.82 -2.92 117.51 128.82 1mux h ILE 130 Ca -0.12 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1mux h ILE 130 Cb 1.16 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1mux h ILE 130 CO 1.13 0.14 -0.65 -2.24 0.00 0.00 0.00 178.15 176.53 1mux h ASP 131 N 0.31 0.00 -4.51 1.72 3.04 -1.95 -3.49 116.42 111.54 1mux h ASP 131 Ca 0.09 -0.01 -0.07 0.00 -3.24 0.00 0.00 57.03 53.80 1mux h ASP 131 Cb 0.10 0.00 0.06 0.00 -1.04 0.00 0.00 39.33 38.44 1mux h ASP 131 CO -0.01 0.01 -0.24 0.61 -2.04 0.00 0.00 179.24 177.56 1mux n GLY 132 N 1.16 -0.67 0.12 7.15 0.00 -1.10 -4.98 105.19 106.87 1mux n GLY 132 Ca 0.02 0.24 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 1mux n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mux n ASP 133 N -1.97 1.19 0.00 1.61 8.00 -1.26 -4.99 116.55 119.13 1mux n ASP 133 Ca -0.02 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1mux n ASP 133 Cb 0.53 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mux n GLY 134 N 2.00 0.89 3.26 0.44 0.00 -1.26 -5.13 105.19 105.38 1mux n GLY 134 Ca -0.38 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 1mux n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mux s GLN 135 N 0.00 1.29 -0.01 1.61 1.03 -1.26 -4.94 119.66 117.38 1mux s GLN 135 Ca 0.00 -1.69 -0.04 0.00 0.04 0.00 0.00 55.36 53.67 1mux s GLN 135 Cb 0.00 -0.01 -0.04 0.00 0.03 0.00 0.00 33.01 32.99 1mux s GLN 135 CO 0.00 -0.33 0.20 0.08 -2.54 0.00 0.00 175.29 172.70 1mux s VAL 136 N -3.94 5.40 0.56 3.63 1.01 -1.09 -4.88 120.40 121.09 1mux s VAL 136 Ca 0.37 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.38 1mux s VAL 136 Cb 0.07 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.97 1mux s VAL 136 CO 0.12 0.36 0.53 0.21 0.00 0.00 0.00 175.10 176.32 1mux s ASN 137 N -1.80 4.77 0.07 3.32 2.47 -1.26 -1.99 114.94 120.53 1mux s ASN 137 Ca 0.26 -1.13 -0.18 0.00 0.42 0.00 0.00 52.86 52.24 1mux s ASN 137 Cb -0.13 0.41 -0.10 0.00 -1.45 0.00 0.00 41.25 39.97 1mux s ASN 137 CO 0.17 -1.20 1.41 0.22 -3.72 0.00 0.00 177.10 173.98 1mux h TYR 138 N 0.55 0.61 -0.15 0.43 3.20 -2.00 -1.94 116.97 117.68 1mux h TYR 138 Ca -0.34 -0.17 -0.11 0.00 3.14 0.00 0.00 58.73 61.25 1mux h TYR 138 Cb 1.30 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 1mux h TYR 138 CO 0.81 0.82 -0.37 1.49 -1.64 0.00 0.00 178.16 179.27 1mux h GLU 139 N 0.22 0.33 -0.16 1.82 4.81 -1.98 -2.52 114.58 117.09 1mux h GLU 139 Ca 0.04 -0.15 -0.16 0.00 -0.13 0.00 0.00 59.36 58.97 1mux h GLU 139 Cb 0.69 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1mux h GLU 139 CO 0.04 0.66 -0.55 0.93 -0.73 0.00 0.00 179.01 179.36 1mux h GLU 140 N 0.28 0.50 -0.08 1.92 5.08 -1.92 -2.23 114.58 118.12 1mux h GLU 140 Ca 0.03 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1mux h GLU 140 Cb 0.79 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1mux h GLU 140 CO 0.06 0.92 -0.55 0.35 -1.00 0.00 0.00 179.01 178.79 1mux h PHE 141 N 0.38 0.30 0.00 4.33 3.57 -1.17 0.22 116.94 124.58 1mux h PHE 141 Ca 0.01 -0.11 -0.19 0.00 3.53 0.00 0.00 57.97 61.21 1mux h PHE 141 Cb 1.09 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1mux h PHE 141 CO 0.04 0.74 -0.89 0.28 -2.23 0.00 0.00 178.31 176.25 1mux h VAL 142 N 0.19 1.60 -0.00 1.41 2.07 -1.37 -3.22 116.25 116.92 1mux h VAL 142 Ca 0.00 -3.10 0.00 0.00 0.82 0.00 0.00 66.70 64.42 1mux h VAL 142 Cb 1.03 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1mux h VAL 142 CO 0.09 0.87 -0.83 0.00 0.02 0.00 0.00 177.57 177.72 1mux n GLN 143 N -3.41 0.05 -0.01 1.57 3.00 -0.85 -3.59 117.38 114.14 1mux n GLN 143 Ca -0.00 -0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 56.84 1mux n GLN 143 Cb 0.87 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.47 1mux n GLN 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mux h MET 144 N 0.10 0.05 0.02 -1.09 -0.00 -1.02 -3.39 114.93 109.60 1mux h MET 144 Ca 0.00 -0.08 -0.17 0.00 -0.00 0.00 0.00 59.70 59.45 1mux h MET 144 Cb 0.51 0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 32.12 1mux h MET 144 CO 0.00 0.64 -0.89 1.98 -0.00 0.00 0.00 176.91 178.64 1mux h MET 145 N 0.01 0.05 -6.52 -0.10 1.85 -1.74 -3.45 114.93 105.03 1mux h MET 145 Ca -0.28 -0.08 -0.53 0.00 -0.61 0.00 0.00 59.70 58.20 1mux h MET 145 Cb 2.00 0.03 0.04 0.00 0.43 0.00 0.00 31.60 34.10 1mux h MET 145 CO 0.09 1.04 1.07 0.95 -0.40 0.00 0.00 176.91 179.65 1mux s THR 146 N -2.34 2.57 -0.28 -0.77 -4.23 -1.24 -4.89 115.64 104.46 1mux s THR 146 Ca -0.24 0.15 0.21 0.00 -1.18 0.00 0.00 61.69 60.63 1mux s THR 146 Cb 0.03 -3.09 0.49 0.00 1.34 0.00 0.00 72.50 71.26 1mux s THR 146 CO 0.66 0.00 1.05 0.00 -0.54 0.00 0.00 174.62 175.79 1mux n ALA 147 N 5.35 2.88 -0.93 3.99 0.00 -1.26 -4.87 120.51 125.68 1mux n ALA 147 Ca 0.17 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.73 1mux n ALA 147 Cb 0.38 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1mux n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13