#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 4.82 -0.30 0.00 1.11 -1.26 -5.10 116.67 115.94 1mux s ASP 2 Ca 0.00 -0.20 -0.07 0.00 0.18 0.00 0.00 52.55 52.46 1mux s ASP 2 Cb 0.00 -1.11 0.01 0.00 1.07 0.00 0.00 42.92 42.89 1mux s ASP 2 CO 0.00 0.21 0.09 -1.10 1.18 0.00 0.00 175.17 175.54 1mux s GLN 3 N -2.03 3.05 0.54 8.23 1.11 -1.26 -5.08 119.66 124.22 1mux s GLN 3 Ca 0.22 -0.88 -0.20 0.00 0.01 0.00 0.00 55.36 54.51 1mux s GLN 3 Cb -0.11 -3.39 -0.06 0.00 -1.01 0.00 0.00 33.01 28.44 1mux s GLN 3 CO 0.14 -0.47 1.16 -0.48 0.01 0.00 0.00 175.29 175.66 1mux s LEU 4 N 1.49 3.78 0.07 2.90 0.05 -1.26 -5.04 118.68 120.68 1mux s LEU 4 Ca 0.02 2.27 0.09 0.00 0.05 0.00 0.00 54.13 56.56 1mux s LEU 4 Cb -0.17 -4.51 -0.03 0.00 -2.05 0.00 0.00 46.19 39.42 1mux s LEU 4 CO 0.03 -1.26 -0.24 0.42 -0.55 0.00 0.00 176.35 174.75 1mux s THR 5 N -1.67 1.97 0.22 5.48 -4.23 -1.26 -4.99 115.64 111.16 1mux s THR 5 Ca 0.72 -1.45 0.27 0.00 -1.18 0.00 0.00 61.69 60.06 1mux s THR 5 Cb -0.27 -1.72 0.27 0.00 1.34 0.00 0.00 72.50 72.12 1mux s THR 5 CO 0.30 0.19 1.82 -0.08 -0.54 0.00 0.00 174.62 176.31 1mux h GLU 6 N 4.49 0.00 -0.79 3.99 4.81 -2.02 -2.18 114.58 122.88 1mux h GLU 6 Ca -0.46 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.84 1mux h GLU 6 Cb 1.16 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.48 1mux h GLU 6 CO 0.42 0.00 0.47 1.49 -0.73 0.00 0.00 179.01 180.66 1mux h GLU 7 N 0.00 0.81 0.02 1.92 4.81 -2.00 -2.28 114.58 117.86 1mux h GLU 7 Ca 0.00 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1mux h GLU 7 Cb 0.24 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1mux h GLU 7 CO 0.00 0.53 -0.16 1.96 -0.73 0.00 0.00 179.01 180.61 1mux h GLN 8 N 0.83 -0.27 -0.93 1.92 7.50 -1.82 -1.65 115.11 120.69 1mux h GLN 8 Ca 0.36 0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.63 1mux h GLN 8 Cb 0.24 0.06 -0.08 0.00 0.05 0.00 0.00 27.48 27.75 1mux h GLN 8 CO -0.20 -0.18 0.57 0.82 -1.50 0.00 0.00 178.83 178.34 1mux h ILE 9 N -0.28 0.94 -0.75 2.54 2.04 -1.63 0.05 117.51 120.43 1mux h ILE 9 Ca 0.05 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1mux h ILE 9 Cb 0.34 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1mux h ILE 9 CO -0.14 0.17 0.48 0.00 0.00 0.00 0.00 178.15 178.66 1mux h ALA 10 N 1.49 1.43 -0.09 1.87 0.00 -0.82 -1.06 119.26 122.08 1mux h ALA 10 Ca 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1mux h ALA 10 Cb 0.39 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1mux h ALA 10 CO -0.24 0.51 0.06 1.49 0.00 0.00 0.00 179.25 181.06 1mux h GLU 11 N 1.02 0.13 0.00 0.00 4.57 -0.10 -1.07 114.58 119.13 1mux h GLU 11 Ca 0.27 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.41 1mux h GLU 11 Cb -0.09 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1mux h GLU 11 CO -0.06 0.15 -0.15 0.74 -1.18 0.00 0.00 179.01 178.51 1mux h PHE 12 N 0.08 0.00 -0.00 0.92 0.04 -1.01 -2.08 116.94 114.89 1mux h PHE 12 Ca 0.03 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.63 1mux h PHE 12 Cb 0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1mux h PHE 12 CO -0.05 0.15 -0.81 0.87 -0.60 0.00 0.00 178.31 177.87 1mux h LYS 13 N 0.00 0.05 -0.26 1.51 1.57 -0.44 -2.33 116.57 116.67 1mux h LYS 13 Ca -0.00 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1mux h LYS 13 Cb 0.41 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1mux h LYS 13 CO 0.02 0.83 -0.45 1.49 -0.57 0.00 0.00 179.45 180.77 1mux h GLU 14 N 0.03 0.76 -0.47 3.15 4.81 -0.52 -2.81 114.58 119.53 1mux h GLU 14 Ca -0.02 -0.47 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 1mux h GLU 14 Cb 1.42 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 1mux h GLU 14 CO 0.11 1.10 -0.23 0.00 -0.73 0.00 0.00 179.01 179.26 1mux h ALA 15 N 0.66 0.70 0.23 2.92 0.00 -1.50 -2.33 119.26 119.94 1mux h ALA 15 Ca 0.02 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1mux h ALA 15 Cb 1.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1mux h ALA 15 CO 0.10 0.67 -0.28 0.35 0.00 0.00 0.00 179.25 180.09 1mux h PHE 16 N 0.83 -0.76 -0.50 0.00 3.57 -1.38 -1.66 116.94 117.05 1mux h PHE 16 Ca 0.11 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1mux h PHE 16 Cb 0.80 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1mux h PHE 16 CO 0.05 -0.40 0.29 0.77 -2.23 0.00 0.00 178.31 176.79 1mux h SER 17 N -0.56 0.59 0.19 0.41 0.02 -1.49 -1.37 113.55 111.35 1mux h SER 17 Ca 0.00 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1mux h SER 17 Cb 0.54 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1mux h SER 17 CO -0.09 0.46 -0.17 0.25 -1.14 0.00 0.00 176.83 176.13 1mux h LEU 18 N 0.68 0.00 0.02 5.07 6.46 -0.80 -3.21 115.31 123.54 1mux h LEU 18 Ca 0.18 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1mux h LEU 18 Cb -0.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1mux h LEU 18 CO -0.03 0.17 -0.01 -0.26 -0.62 0.00 0.00 178.44 177.69 1mux h PHE 19 N 0.00 -0.03 -1.92 1.25 0.04 -0.37 -3.43 116.94 112.48 1mux h PHE 19 Ca -0.00 -0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 1mux h PHE 19 Cb 0.32 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 1mux h PHE 19 CO 0.00 0.20 1.52 0.34 -0.60 0.00 0.00 178.31 179.77 1mux s ASP 20 N -5.65 5.13 -0.61 2.17 -1.08 -0.96 -4.65 116.67 111.01 1mux s ASP 20 Ca -0.05 1.50 0.02 0.00 -0.52 0.00 0.00 52.55 53.50 1mux s ASP 20 Cb -0.01 -2.51 0.40 0.00 -1.46 0.00 0.00 42.92 39.35 1mux s ASP 20 CO 0.17 -2.27 1.60 0.29 0.52 0.00 0.00 175.17 175.48 1mux n LYS 21 N 8.84 3.09 -0.55 4.34 5.02 -1.26 -4.49 118.16 133.15 1mux n LYS 21 Ca 0.31 -3.93 -0.01 0.00 -2.02 0.00 0.00 58.31 52.66 1mux n LYS 21 Cb 0.49 -2.27 -0.01 0.00 -0.02 0.00 0.00 35.03 33.22 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 -0.58 -0.19 -3.31 4.39 5.75 -1.26 -5.06 116.55 116.28 1mux n ASP 22 Ca 0.48 -1.07 -0.26 0.00 -0.01 0.00 0.00 54.79 53.93 1mux n ASP 22 Cb 0.53 0.06 0.02 0.00 -1.03 0.00 0.00 41.12 40.70 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 0.00 -0.53 0.00 6.12 0.00 -1.26 -4.93 105.19 104.58 1mux n GLY 23 Ca -0.05 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 -0.58 1.10 0.00 1.61 2.03 -1.26 -5.03 116.55 114.43 1mux n ASP 24 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1mux n ASP 24 Cb 0.61 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 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 1.73 3.25 3.39 0.27 0.00 -1.26 -5.02 105.19 107.56 1mux n GLY 25 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.64 2.45 -0.38 2.61 -4.23 -1.26 -4.61 115.64 107.58 1mux s THR 26 Ca 0.00 -1.20 -0.20 0.00 -1.18 0.00 0.00 61.69 59.11 1mux s THR 26 Cb 0.00 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.88 1mux s THR 26 CO 0.00 0.42 0.60 -0.63 -0.54 0.00 0.00 174.62 174.47 1mux s ILE 27 N -0.81 4.90 0.43 2.99 1.01 -0.97 -4.91 121.20 123.85 1mux s ILE 27 Ca 0.12 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.15 1mux s ILE 27 Cb -0.10 -4.09 0.08 0.00 0.01 0.00 0.00 42.46 38.35 1mux s ILE 27 CO 0.02 -0.39 0.59 0.35 0.00 0.00 0.00 174.94 175.52 1mux n THR 28 N 5.63 0.00 0.13 2.92 -2.24 -1.26 -2.22 114.28 117.25 1mux n THR 28 Ca -0.02 -1.21 -0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1mux n THR 28 Cb 0.48 -0.82 0.13 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.16 1.30 0.19 4.28 1.35 -1.97 -2.58 112.91 115.32 1mux h THR 29 Ca -0.20 -2.27 -0.01 0.00 -0.55 0.00 0.00 66.41 63.38 1mux h THR 29 Cb 0.83 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1mux h THR 29 CO 0.25 0.62 -0.09 0.11 -0.25 0.00 0.00 175.52 176.16 1mux h LYS 30 N 0.00 -0.25 0.00 4.72 1.57 -1.98 -0.86 116.57 119.78 1mux h LYS 30 Ca -0.01 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1mux h LYS 30 Cb 1.23 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1mux h LYS 30 CO 0.08 0.15 -0.16 0.93 -0.57 0.00 0.00 179.45 179.88 1mux h GLU 31 N -0.80 -0.26 -0.68 3.15 5.08 -1.92 0.14 114.58 119.30 1mux h GLU 31 Ca -0.03 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 1mux h GLU 31 Cb 0.52 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1mux h GLU 31 CO 0.04 -0.17 0.46 1.25 -1.00 0.00 0.00 179.01 179.59 1mux h LEU 32 N -0.27 0.34 -0.19 1.33 5.85 -1.52 -0.54 115.31 120.31 1mux h LEU 32 Ca 0.05 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1mux h LEU 32 Cb 0.33 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1mux h LEU 32 CO -0.15 0.19 -0.03 1.23 -0.34 0.00 0.00 178.44 179.34 1mux h GLY 33 N 0.37 0.15 2.00 3.75 0.00 0.53 0.44 103.07 110.32 1mux h GLY 33 Ca 0.33 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1mux h GLY 33 CO -0.09 -0.06 -0.05 -0.84 0.00 0.00 0.00 176.54 175.50 1mux h THR 34 N 0.03 0.16 -0.02 4.70 2.02 -0.76 -1.55 112.91 117.49 1mux h THR 34 Ca 0.09 -0.59 -0.15 0.00 0.77 0.00 0.00 66.41 66.53 1mux h THR 34 Cb 0.13 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1mux h THR 34 CO -0.18 0.05 -0.68 0.58 0.37 0.00 0.00 175.52 175.66 1mux h VAL 35 N 0.00 1.46 0.00 3.16 2.07 0.00 -1.85 116.25 121.10 1mux h VAL 35 Ca -0.00 -2.28 -0.13 0.00 0.82 0.00 0.00 66.70 65.12 1mux h VAL 35 Cb 0.50 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1mux h VAL 35 CO 0.01 0.66 -1.38 0.23 0.02 0.00 0.00 177.57 177.11 1mux n MET 36 N -3.76 0.62 0.16 1.57 2.81 -0.45 -3.63 117.12 114.44 1mux n MET 36 Ca -0.02 0.17 0.10 0.00 -1.81 0.00 0.00 57.70 56.15 1mux n MET 36 Cb 0.67 -1.79 0.08 0.00 -0.71 0.00 0.00 33.22 31.47 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 0.00 0.00 0.00 0.03 2.47 -1.27 -1.25 114.38 114.35 1mux h ARG 37 Ca -0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1mux h ARG 37 Cb 1.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.76 1mux h ARG 37 CO 0.03 0.07 -0.78 0.77 0.56 0.00 0.00 179.97 180.62 1mux h SER 38 N 0.00 0.00 0.00 7.04 0.02 -1.47 -3.42 113.55 115.72 1mux h SER 38 Ca -0.01 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1mux h SER 38 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1mux h SER 38 CO 0.01 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 175.89 1mux n LEU 39 N -2.68 1.36 -2.68 5.07 4.77 -1.24 -4.99 117.00 116.61 1mux n LEU 39 Ca 0.01 0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 1mux n LEU 39 Cb 0.53 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1mux n LEU 39 CO 0.38 -0.08 0.57 0.61 -1.33 0.00 0.00 177.39 177.55 1mux n GLY 40 N 2.38 -0.28 3.30 -0.72 0.00 -1.21 -5.12 105.19 103.54 1mux n GLY 40 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 1mux n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mux s GLN 41 N 0.12 0.98 -0.32 1.61 -0.21 -0.48 -5.04 119.66 116.33 1mux s GLN 41 Ca 0.17 -0.61 0.17 0.00 0.02 0.00 0.00 55.36 55.12 1mux s GLN 41 Cb 0.26 0.43 0.46 0.00 1.00 0.00 0.00 33.01 35.15 1mux s GLN 41 CO -0.10 -0.36 1.04 0.09 -2.12 0.00 0.00 175.29 173.84 1mux n ASN 42 N 0.08 0.96 -3.56 5.90 3.02 -1.26 -3.88 115.26 116.51 1mux n ASN 42 Ca -0.17 -2.58 0.00 0.00 -0.03 0.00 0.00 54.58 51.80 1mux n ASN 42 Cb 0.62 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.23 1.11 -4.46 3.52 -0.04 -1.26 -5.09 135.00 128.55 1mux n PRO 43 Ca 0.07 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.30 1mux n PRO 43 Cb 0.82 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.19 1mux n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1mux s THR 44 N 0.00 0.67 0.32 0.52 2.01 -1.26 -5.02 115.64 112.87 1mux s THR 44 Ca 0.00 -2.00 0.07 0.00 0.31 0.00 0.00 61.69 60.07 1mux s THR 44 Cb 0.00 -2.48 0.08 0.00 0.01 0.00 0.00 72.50 70.10 1mux s THR 44 CO 0.00 0.00 1.76 -0.08 -0.69 0.00 0.00 174.62 175.61 1mux h GLU 45 N 1.96 0.28 0.24 4.92 4.57 -1.98 -1.74 114.58 122.82 1mux h GLU 45 Ca -0.36 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1mux h GLU 45 Cb 1.26 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1mux h GLU 45 CO 0.59 0.56 -0.11 0.00 -1.18 0.00 0.00 179.01 178.87 1mux h ALA 46 N 1.44 -0.54 -1.00 2.92 0.00 -2.00 -2.36 119.26 117.72 1mux h ALA 46 Ca 0.03 -0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.10 1mux h ALA 46 Cb 0.67 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 1mux h ALA 46 CO 0.05 -0.51 0.62 0.93 0.00 0.00 0.00 179.25 180.33 1mux h GLU 47 N -0.61 0.60 -0.09 0.00 5.08 -1.98 0.77 114.58 118.35 1mux h GLU 47 Ca -0.03 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1mux h GLU 47 Cb 0.24 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1mux h GLU 47 CO 0.05 0.39 -0.04 1.25 -1.00 0.00 0.00 179.01 179.67 1mux h LEU 48 N 0.61 -0.14 -1.18 1.33 6.46 -1.34 -1.01 115.31 120.04 1mux h LEU 48 Ca 0.59 0.04 0.22 0.00 -0.12 0.00 0.00 57.88 58.62 1mux h LEU 48 Cb 1.13 0.08 -0.10 0.00 -0.73 0.00 0.00 40.66 41.04 1mux h LEU 48 CO -0.38 -0.06 0.62 -0.61 -0.62 0.00 0.00 178.44 177.40 1mux h GLN 49 N -0.03 0.56 -0.60 1.25 4.15 -0.29 0.25 115.11 120.40 1mux h GLN 49 Ca 0.05 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 1mux h GLN 49 Cb 0.11 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 1mux h GLN 49 CO -0.12 0.37 0.28 -0.44 -1.93 0.00 0.00 178.83 176.99 1mux h ASP 50 N 0.57 0.80 0.56 -0.69 3.32 -0.88 -0.72 116.42 119.39 1mux h ASP 50 Ca 0.58 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1mux h ASP 50 Cb 1.17 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1mux h ASP 50 CO -0.35 0.72 0.00 -0.03 -1.72 0.00 0.00 179.24 177.87 1mux h MET 51 N 0.83 0.00 0.00 3.56 4.05 -0.02 -2.20 114.93 121.15 1mux h MET 51 Ca 0.21 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.47 1mux h MET 51 Cb 0.14 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 1mux h MET 51 CO -0.02 0.00 -1.28 0.82 0.23 0.00 0.00 176.91 176.65 1mux h ILE 52 N 0.00 0.55 -0.72 1.77 1.08 -0.26 -3.35 117.51 116.59 1mux h ILE 52 Ca 0.00 -2.03 0.04 0.00 -0.39 0.00 0.00 64.86 62.49 1mux h ILE 52 Cb 0.28 2.09 -0.04 0.00 -3.07 0.00 0.00 36.82 36.07 1mux h ILE 52 CO 0.00 0.32 0.48 0.78 -0.69 0.00 0.00 178.15 179.03 1mux h ASN 53 N 0.00 0.72 1.15 1.72 2.35 -0.68 -0.20 115.58 120.64 1mux h ASN 53 Ca -0.14 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 1mux h ASN 53 Cb 1.55 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 1mux h ASN 53 CO 0.05 0.48 -0.27 1.05 -1.65 0.00 0.00 177.43 177.10 1mux h GLU 54 N 0.83 0.00 -0.74 0.81 4.11 -1.69 -2.95 114.58 114.95 1mux h GLU 54 Ca 0.30 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.55 1mux h GLU 54 Cb 0.13 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 1mux h GLU 54 CO -0.09 0.27 0.22 0.28 0.07 0.00 0.00 179.01 179.76 1mux n VAL 55 N -3.32 2.78 -3.73 -1.06 0.31 -0.13 -4.82 118.33 108.36 1mux n VAL 55 Ca 0.01 -1.49 -0.26 0.00 -0.01 0.00 0.00 64.34 62.58 1mux n VAL 55 Cb 0.51 -0.37 -0.17 0.00 -0.91 0.00 0.00 33.84 32.90 1mux n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1mux s ASP 56 N -0.88 2.47 -0.41 4.52 2.15 -0.93 -4.72 116.67 118.86 1mux s ASP 56 Ca 0.52 -0.59 0.05 0.00 0.43 0.00 0.00 52.55 52.97 1mux s ASP 56 Cb 0.41 -0.51 0.51 0.00 -0.30 0.00 0.00 42.92 43.03 1mux s ASP 56 CO 0.13 -0.28 1.63 0.00 -0.17 0.00 0.00 175.17 176.49 1mux n ALA 57 N 5.10 5.19 0.00 3.66 0.00 -1.26 -4.54 120.51 128.66 1mux n ALA 57 Ca -0.08 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.04 1mux n ALA 57 Cb 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1mux n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1mux n ASP 58 N -1.00 0.00 -0.26 0.00 5.68 -1.26 -5.07 116.55 114.64 1mux n ASP 58 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.76 1mux n ASP 58 Cb 1.04 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.02 1mux n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 59 N 0.77 0.61 0.00 6.12 0.00 -1.26 -5.03 105.19 106.40 1mux n GLY 59 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.26 1.02 -0.17 1.61 6.94 -1.26 -5.01 115.26 118.12 1mux n ASN 60 Ca 0.00 -0.34 -0.02 0.00 -0.02 0.00 0.00 54.58 54.20 1mux n ASN 60 Cb 0.11 0.88 -0.00 0.00 -2.36 0.00 0.00 39.78 38.41 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 1.19 0.35 3.71 4.83 0.00 -1.26 -5.02 105.19 108.99 1mux n GLY 61 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.08 0.00 0.13 2.61 -4.23 -1.26 -4.56 115.64 106.26 1mux s THR 62 Ca 0.00 -0.61 0.10 0.00 -1.18 0.00 0.00 61.69 60.00 1mux s THR 62 Cb 0.00 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 1mux s THR 62 CO 0.00 0.00 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.25 1mux s ILE 63 N -3.59 2.68 0.00 2.99 1.01 -0.94 -4.81 121.20 118.54 1mux s ILE 63 Ca 0.09 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1mux s ILE 63 Cb -0.03 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.21 1mux s ILE 63 CO 0.00 0.07 0.00 0.47 0.00 0.00 0.00 174.94 175.48 1mux n ASP 64 N 0.74 1.26 0.11 3.58 9.92 -1.26 -2.29 116.55 128.61 1mux n ASP 64 Ca -0.16 -0.30 -0.24 0.00 -0.53 0.00 0.00 54.79 53.57 1mux n ASP 64 Cb 0.53 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.86 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 0.19 0.86 0.00 1.24 3.04 -2.00 -3.02 116.94 117.25 1mux h PHE 65 Ca 0.00 -0.63 -0.02 0.00 3.98 0.00 0.00 57.97 61.31 1mux h PHE 65 Cb 0.00 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.47 1mux h PHE 65 CO 0.00 1.57 -0.08 -1.00 -2.02 0.00 0.00 178.31 176.78 1mux h PRO 66 N 0.06 0.00 0.09 6.41 0.13 -1.99 -2.15 132.00 134.56 1mux h PRO 66 Ca -0.27 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.55 1mux h PRO 66 Cb 2.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 33.20 1mux h PRO 66 CO 0.23 0.08 -1.62 0.93 -0.23 0.00 0.00 178.00 177.39 1mux h GLU 67 N 0.00 0.20 -0.28 0.86 5.08 -1.97 -2.51 114.58 115.96 1mux h GLU 67 Ca -0.00 -0.34 -0.17 0.00 -1.00 0.00 0.00 59.36 57.85 1mux h GLU 67 Cb 0.60 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1mux h GLU 67 CO 0.01 1.02 -0.50 0.35 -1.00 0.00 0.00 179.01 178.89 1mux h PHE 68 N 0.05 0.95 0.18 4.33 3.04 -1.39 -2.28 116.94 121.83 1mux h PHE 68 Ca -0.27 -0.32 -0.31 0.00 3.98 0.00 0.00 57.97 61.05 1mux h PHE 68 Cb 2.01 -0.19 0.02 0.00 2.56 0.00 0.00 35.95 40.35 1mux h PHE 68 CO 0.05 1.11 -1.38 1.25 -2.02 0.00 0.00 178.31 177.32 1mux h LEU 69 N 0.60 0.60 -1.28 0.59 5.85 -1.52 -2.78 115.31 117.37 1mux h LEU 69 Ca 0.03 -0.66 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 1mux h LEU 69 Cb 1.08 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1mux h LEU 69 CO 0.11 1.52 -0.02 0.74 -0.34 0.00 0.00 178.44 180.45 1mux h THR 70 N 0.10 0.05 0.11 1.05 2.02 -1.48 -0.15 112.91 114.61 1mux h THR 70 Ca -0.20 -0.62 -0.33 0.00 0.77 0.00 0.00 66.41 66.04 1mux h THR 70 Cb 2.06 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 70.04 1mux h THR 70 CO 0.23 0.02 -1.74 -0.03 0.37 0.00 0.00 175.52 174.37 1mux h MET 71 N 0.00 0.24 -0.00 6.66 1.85 -1.45 -3.37 114.93 118.85 1mux h MET 71 Ca -0.00 -0.40 0.00 0.00 -0.61 0.00 0.00 59.70 58.69 1mux h MET 71 Cb 0.58 0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.76 1mux h MET 71 CO 0.00 1.19 -0.51 -1.33 -0.40 0.00 0.00 176.91 175.87 1mux n MET 72 N -3.74 0.05 0.00 0.39 2.81 -1.05 -3.85 117.12 111.73 1mux n MET 72 Ca -0.30 -0.03 0.13 0.00 -1.81 0.00 0.00 57.70 55.69 1mux n MET 72 Cb 0.96 -1.50 0.43 0.00 -0.71 0.00 0.00 33.22 32.41 1mux n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mux n ALA 73 N -1.45 2.95 -1.03 3.04 0.00 -0.07 -4.48 120.51 119.47 1mux n ALA 73 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1mux n ALA 73 Cb 0.34 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1mux n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mux n ARG 74 N -1.49 0.00 0.00 0.00 1.74 -1.25 -5.01 116.66 110.65 1mux n ARG 74 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1mux n ARG 74 Cb 0.34 -0.33 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1mux n ARG 74 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1mux n LYS 75 N -0.60 0.00 0.00 5.56 5.02 -1.26 -4.96 118.16 121.92 1mux n LYS 75 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1mux n LYS 75 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1mux n LYS 75 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1mux n MET 76 N -0.38 0.00 -2.09 1.97 1.56 -1.26 -4.85 117.12 112.07 1mux n MET 76 Ca 0.00 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.39 1mux n MET 76 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1mux n MET 76 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1mux n LYS 77 N 0.00 0.36 -3.66 2.12 2.85 -1.26 -5.15 118.16 113.42 1mux n LYS 77 Ca 0.00 -0.84 -0.24 0.00 -1.05 0.00 0.00 58.31 56.18 1mux n LYS 77 Cb 0.00 0.98 -0.17 0.00 -0.65 0.00 0.00 35.03 35.18 1mux n LYS 77 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1mux s ASP 78 N -1.74 1.93 -0.54 -5.58 -4.77 -1.26 -5.07 116.67 99.64 1mux s ASP 78 Ca 0.07 -0.35 0.04 0.00 -3.30 0.00 0.00 52.55 49.01 1mux s ASP 78 Cb -0.01 -0.27 0.17 0.00 -1.09 0.00 0.00 42.92 41.72 1mux s ASP 78 CO 0.05 -0.30 0.41 -0.89 0.70 0.00 0.00 175.17 175.14 1mux s THR 79 N 2.10 1.50 0.39 2.11 2.01 -1.26 -4.94 115.64 117.55 1mux s THR 79 Ca 0.03 -3.38 -0.27 0.00 0.31 0.00 0.00 61.69 58.38 1mux s THR 79 Cb -0.14 -2.00 -0.11 0.00 0.01 0.00 0.00 72.50 70.25 1mux s THR 79 CO -0.07 -1.13 1.27 -0.67 -0.69 0.00 0.00 174.62 173.34 1mux n ASP 80 N 2.46 2.62 -3.71 3.53 -0.08 -1.26 -4.99 116.55 115.12 1mux n ASP 80 Ca 0.25 1.15 -0.29 0.00 -1.51 0.00 0.00 54.79 54.39 1mux n ASP 80 Cb 0.42 -1.49 -0.15 0.00 2.34 0.00 0.00 41.12 42.24 1mux n ASP 80 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1mux s SER 81 N -0.44 3.72 0.29 1.67 0.15 -1.26 -5.00 113.70 112.82 1mux s SER 81 Ca 0.59 -1.40 0.12 0.00 0.70 0.00 0.00 55.95 55.95 1mux s SER 81 Cb -0.53 -0.73 -0.05 0.00 -1.71 0.00 0.00 66.02 62.99 1mux s SER 81 CO 0.60 -0.39 -0.17 -0.70 1.20 0.00 0.00 173.24 173.77 1mux s GLU 82 N 1.74 1.74 0.07 5.44 2.12 -1.26 -5.00 118.70 123.55 1mux s GLU 82 Ca 0.07 -1.76 0.11 0.00 0.36 0.00 0.00 54.97 53.76 1mux s GLU 82 Cb -0.17 -1.80 0.51 0.00 0.26 0.00 0.00 34.13 32.94 1mux s GLU 82 CO -0.23 0.31 1.36 0.39 -0.54 0.00 0.00 175.26 176.55 1mux n GLU 83 N -0.66 0.04 -0.03 4.30 -0.58 -1.26 -1.57 120.64 120.88 1mux n GLU 83 Ca -0.05 0.40 -0.02 0.00 -0.42 0.00 0.00 57.16 57.07 1mux n GLU 83 Cb 0.60 -1.60 -0.01 0.00 -0.57 0.00 0.00 31.44 29.87 1mux n GLU 83 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1mux h GLU 84 N 0.00 0.00 0.00 3.49 4.39 -2.01 -3.34 114.58 117.11 1mux h GLU 84 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1mux h GLU 84 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1mux h GLU 84 CO 0.00 0.00 0.00 -0.89 -1.16 0.00 0.00 179.01 176.96 1mux n ILE 85 N -3.39 1.35 0.05 3.13 2.08 -1.23 -2.60 119.36 118.76 1mux n ILE 85 Ca -0.03 0.35 -0.10 0.00 0.56 0.00 0.00 62.75 63.52 1mux n ILE 85 Cb 0.11 -1.20 -0.07 0.00 -0.75 0.00 0.00 39.64 37.73 1mux n ILE 85 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1mux h ARG 86 N 0.00 -0.20 -0.34 0.38 2.43 -1.45 -2.74 114.38 112.46 1mux h ARG 86 Ca 0.00 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1mux h ARG 86 Cb 0.16 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1mux h ARG 86 CO 0.00 0.22 -0.15 0.93 -1.51 0.00 0.00 179.97 179.46 1mux h GLU 87 N -0.88 0.60 0.23 0.20 5.08 -1.64 -2.51 114.58 115.65 1mux h GLU 87 Ca -0.02 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1mux h GLU 87 Cb 0.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1mux h GLU 87 CO 0.04 0.73 -0.23 0.00 -1.00 0.00 0.00 179.01 178.54 1mux h ALA 88 N 1.30 -0.47 0.00 3.43 0.00 -1.56 -1.56 119.26 120.39 1mux h ALA 88 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1mux h ALA 88 Cb 0.57 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1mux h ALA 88 CO 0.04 -0.79 -0.16 0.35 0.00 0.00 0.00 179.25 178.68 1mux h PHE 89 N -0.49 0.00 0.00 0.00 3.04 -1.41 -1.57 116.94 116.50 1mux h PHE 89 Ca -0.00 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 1mux h PHE 89 Cb 0.46 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1mux h PHE 89 CO -0.16 0.16 -0.33 -0.09 -2.02 0.00 0.00 178.31 175.87 1mux h ARG 90 N 0.00 0.00 0.00 1.11 1.12 -0.88 -1.75 114.38 113.98 1mux h ARG 90 Ca -0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.82 1mux h ARG 90 Cb 0.34 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 1mux h ARG 90 CO 0.02 0.33 -1.58 1.33 -3.11 0.00 0.00 179.97 176.96 1mux n VAL 91 N -3.54 0.47 0.82 0.20 0.24 -0.67 -4.16 118.33 111.69 1mux n VAL 91 Ca -0.00 -0.57 0.11 0.00 -2.04 0.00 0.00 64.34 61.84 1mux n VAL 91 Cb 0.47 -0.24 0.08 0.00 -1.47 0.00 0.00 33.84 32.68 1mux n VAL 91 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1mux n PHE 92 N -2.52 0.12 -3.78 6.34 3.72 -0.67 -4.67 117.46 116.00 1mux n PHE 92 Ca -0.05 0.03 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 1mux n PHE 92 Cb 0.63 -0.28 -0.11 0.00 -0.94 0.00 0.00 39.48 38.78 1mux n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1mux s ASP 93 N -3.39 5.05 0.00 4.37 2.15 -0.67 -4.69 116.67 119.50 1mux s ASP 93 Ca 0.07 -2.74 0.10 0.00 0.43 0.00 0.00 52.55 50.41 1mux s ASP 93 Cb 0.16 -1.80 -0.04 0.00 -0.30 0.00 0.00 42.92 40.94 1mux s ASP 93 CO 0.77 -0.37 0.58 2.29 -0.17 0.00 0.00 175.17 178.28 1mux n LYS 94 N 3.60 2.60 -0.02 4.34 2.85 -1.26 -4.60 118.16 125.67 1mux n LYS 94 Ca 0.06 -0.41 -0.21 0.00 -1.05 0.00 0.00 58.31 56.70 1mux n LYS 94 Cb 0.37 -1.06 -0.14 0.00 -0.65 0.00 0.00 35.03 33.56 1mux n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1mux n ASP 95 N -0.58 2.07 0.00 -5.58 5.75 -1.26 -5.02 116.55 111.93 1mux n ASP 95 Ca 0.04 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1mux n ASP 95 Cb 0.20 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 1mux n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 96 N 2.03 2.44 0.39 6.12 0.00 -1.26 -4.96 105.19 109.96 1mux n GLY 96 Ca -0.34 -0.53 0.17 0.00 0.00 0.00 0.00 46.02 45.31 1mux n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1mux h ASN 97 N 2.00 0.00 -2.28 1.61 7.08 -1.95 -3.44 115.58 118.60 1mux h ASN 97 Ca 0.00 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.14 1mux h ASN 97 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 36.27 1mux h ASN 97 CO 0.00 0.00 -0.16 0.61 -2.08 0.00 0.00 177.43 175.80 1mux n GLY 98 N -1.46 0.52 3.33 9.14 0.00 -1.26 -5.05 105.19 110.41 1mux n GLY 98 Ca 0.07 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.07 -0.38 -0.25 1.61 2.02 -1.26 -4.80 117.35 111.21 1mux s TYR 99 Ca 0.09 0.76 -0.16 0.00 -0.37 0.00 0.00 57.07 57.40 1mux s TYR 99 Cb -0.04 0.18 -0.03 0.00 -0.40 0.00 0.00 41.96 41.66 1mux s TYR 99 CO 0.16 -0.37 0.42 0.42 -1.57 0.00 0.00 175.55 174.61 1mux s ILE 100 N -0.73 5.15 0.11 2.71 1.01 -0.98 -4.78 121.20 123.70 1mux s ILE 100 Ca -0.08 0.69 0.05 0.00 0.00 0.00 0.00 60.65 61.32 1mux s ILE 100 Cb -0.04 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1mux s ILE 100 CO 0.04 0.16 0.01 -0.44 0.00 0.00 0.00 174.94 174.71 1mux s SER 101 N 1.47 5.00 0.39 3.58 0.01 -1.26 -2.52 113.70 120.37 1mux s SER 101 Ca 0.18 -0.22 0.15 0.00 1.31 0.00 0.00 55.95 57.37 1mux s SER 101 Cb -0.15 -1.17 1.02 0.00 0.21 0.00 0.00 66.02 65.92 1mux s SER 101 CO 0.09 0.15 1.82 0.00 0.41 0.00 0.00 173.24 175.71 1mux h ALA 102 N 3.20 2.11 0.90 1.44 0.00 -1.94 -2.14 119.26 122.83 1mux h ALA 102 Ca -0.48 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1mux h ALA 102 Cb 1.18 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1mux h ALA 102 CO 0.60 -0.43 -0.43 0.00 0.00 0.00 0.00 179.25 178.98 1mux h ALA 103 N 1.61 -1.20 -0.53 0.00 0.00 -1.98 -2.61 119.26 114.56 1mux h ALA 103 Ca 0.52 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.27 1mux h ALA 103 Cb 1.19 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 19.34 1mux h ALA 103 CO -0.24 -1.12 -0.19 0.93 0.00 0.00 0.00 179.25 178.62 1mux h GLU 104 N -1.31 -0.07 -0.98 0.00 5.08 -1.79 0.17 114.58 115.68 1mux h GLU 104 Ca -0.12 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.47 1mux h GLU 104 Cb 0.92 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.07 1mux h GLU 104 CO 0.20 -0.05 0.56 1.25 -1.00 0.00 0.00 179.01 179.97 1mux h LEU 105 N -0.07 0.64 -0.73 1.33 5.85 -1.36 0.14 115.31 121.10 1mux h LEU 105 Ca 0.25 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1mux h LEU 105 Cb 0.46 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1mux h LEU 105 CO -0.58 0.13 0.35 -0.09 -0.34 0.00 0.00 178.44 177.91 1mux h ARG 106 N 0.60 1.06 0.00 1.25 2.43 -0.27 -1.85 114.38 117.60 1mux h ARG 106 Ca 0.61 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1mux h ARG 106 Cb 1.09 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1mux h ARG 106 CO -0.46 0.83 0.00 0.72 -1.51 0.00 0.00 179.97 179.56 1mux n HIS 107 N -4.40 0.55 0.02 2.20 8.25 0.35 -3.29 115.22 118.90 1mux n HIS 107 Ca 0.06 0.18 -0.18 0.00 -0.26 0.00 0.00 57.72 57.52 1mux n HIS 107 Cb 0.14 -0.79 -0.14 0.00 1.12 0.00 0.00 29.99 30.32 1mux n HIS 107 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1mux h VAL 108 N 0.00 0.81 -0.09 1.59 2.07 -0.45 -3.22 116.25 116.96 1mux h VAL 108 Ca 0.00 -2.52 -0.11 0.00 0.82 0.00 0.00 66.70 64.88 1mux h VAL 108 Cb 0.56 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1mux h VAL 108 CO 0.00 0.79 -0.45 0.24 0.02 0.00 0.00 177.57 178.17 1mux h MET 109 N 0.06 0.22 0.00 1.57 2.86 -1.39 -2.36 114.93 115.89 1mux h MET 109 Ca -0.35 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.03 1mux h MET 109 Cb 2.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.68 1mux h MET 109 CO 0.11 0.63 -0.71 1.79 1.06 0.00 0.00 176.91 179.79 1mux h THR 110 N 0.18 1.38 -0.03 2.22 1.35 -1.70 -2.45 112.91 113.86 1mux h THR 110 Ca 0.01 -2.54 -0.15 0.00 -0.55 0.00 0.00 66.41 63.19 1mux h THR 110 Cb 0.87 2.42 0.01 0.00 -1.73 0.00 0.00 68.15 69.72 1mux h THR 110 CO 0.07 0.69 -0.56 0.78 -0.25 0.00 0.00 175.52 176.25 1mux h ASN 111 N 0.00 0.55 -0.85 5.36 4.21 -1.52 -3.22 115.58 120.11 1mux h ASN 111 Ca -0.01 -0.72 0.14 0.00 1.21 0.00 0.00 56.30 56.92 1mux h ASN 111 Cb 1.36 -0.16 -0.06 0.00 -1.12 0.00 0.00 38.32 38.33 1mux h ASN 111 CO 0.09 1.19 0.55 -0.07 -1.29 0.00 0.00 177.43 177.90 1mux h LEU 112 N -0.05 0.58 0.00 1.61 3.38 -1.49 -3.45 115.31 115.89 1mux h LEU 112 Ca -0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1mux h LEU 112 Cb 1.25 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1mux h LEU 112 CO 0.11 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.55 1mux n GLY 113 N -1.46 1.60 0.00 0.83 0.00 -1.22 -5.14 105.19 99.80 1mux n GLY 113 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1mux n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mux n GLU 114 N 0.00 3.88 -2.93 1.61 -0.58 -0.92 -5.06 120.64 116.64 1mux n GLU 114 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1mux n GLU 114 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1mux n GLU 114 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1mux s LYS 115 N 1.76 0.92 -0.14 3.49 2.20 -1.26 -4.66 119.74 122.05 1mux s LYS 115 Ca 0.00 -0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 54.87 1mux s LYS 115 Cb 0.00 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.30 1mux s LYS 115 CO 0.00 -1.21 -0.03 -0.51 -0.36 0.00 0.00 175.35 173.24 1mux s LEU 116 N 1.27 3.30 0.65 5.43 1.02 -1.26 -5.10 118.68 123.99 1mux s LEU 116 Ca 0.24 -0.08 -0.11 0.00 0.02 0.00 0.00 54.13 54.20 1mux s LEU 116 Cb -0.01 -1.79 -0.02 0.00 0.02 0.00 0.00 46.19 44.39 1mux s LEU 116 CO -0.06 0.21 1.04 -0.89 0.02 0.00 0.00 176.35 176.67 1mux s THR 117 N 0.13 4.43 0.47 5.49 2.01 -1.26 -4.84 115.64 122.07 1mux s THR 117 Ca -0.01 0.79 0.25 0.00 0.31 0.00 0.00 61.69 63.04 1mux s THR 117 Cb -0.14 -3.68 0.45 0.00 0.01 0.00 0.00 72.50 69.14 1mux s THR 117 CO 0.03 -1.03 1.83 0.44 -0.69 0.00 0.00 174.62 175.19 1mux h ASP 118 N -0.48 0.23 -0.70 3.53 5.19 -2.00 0.71 116.42 122.90 1mux h ASP 118 Ca -0.44 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 1mux h ASP 118 Cb 1.20 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.67 1mux h ASP 118 CO 0.60 0.06 0.40 -0.33 -3.12 0.00 0.00 179.24 176.85 1mux h GLU 119 N 0.21 0.96 -0.25 3.56 4.39 -2.00 -1.98 114.58 119.48 1mux h GLU 119 Ca 0.52 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 60.06 1mux h GLU 119 Cb 1.64 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.09 1mux h GLU 119 CO -0.14 0.71 -0.08 0.93 -1.16 0.00 0.00 179.01 179.27 1mux h GLU 120 N 0.96 0.49 0.58 2.33 5.08 -1.21 -2.53 114.58 120.28 1mux h GLU 120 Ca 0.25 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1mux h GLU 120 Cb 0.01 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1mux h GLU 120 CO -0.04 0.73 -0.28 0.28 -1.00 0.00 0.00 179.01 178.69 1mux h VAL 121 N 0.23 0.40 -0.63 3.13 2.07 -1.36 -1.26 116.25 118.83 1mux h VAL 121 Ca 0.06 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.57 1mux h VAL 121 Cb 0.56 0.46 -0.09 0.00 -1.52 0.00 0.00 31.29 30.70 1mux h VAL 121 CO 0.03 0.02 0.17 -0.78 0.02 0.00 0.00 177.57 177.03 1mux h ASP 122 N -0.86 0.09 -0.15 0.57 1.82 -1.43 0.68 116.42 117.13 1mux h ASP 122 Ca -0.08 0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 56.63 1mux h ASP 122 Cb 0.63 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.75 1mux h ASP 122 CO 0.13 0.05 0.00 -0.08 -1.61 0.00 0.00 179.24 177.73 1mux h GLU 123 N 0.32 0.38 0.56 0.28 4.81 -1.32 -2.40 114.58 117.20 1mux h GLU 123 Ca 0.33 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1mux h GLU 123 Cb 0.48 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.81 1mux h GLU 123 CO -0.39 0.40 -0.27 0.52 -0.73 0.00 0.00 179.01 178.55 1mux h MET 124 N 0.37 -0.73 -1.02 1.92 2.86 0.35 -2.14 114.93 116.54 1mux h MET 124 Ca 0.08 0.05 0.29 0.00 -2.06 0.00 0.00 59.70 58.07 1mux h MET 124 Cb 0.24 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1mux h MET 124 CO 0.01 -0.49 0.73 0.82 1.06 0.00 0.00 176.91 179.04 1mux h ILE 125 N -0.95 0.50 -0.32 -1.22 1.08 -1.34 0.13 117.51 115.38 1mux h ILE 125 Ca -0.08 -0.01 -0.15 0.00 -0.39 0.00 0.00 64.86 64.23 1mux h ILE 125 Cb 0.58 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1mux h ILE 125 CO 0.13 0.00 -0.39 -0.09 -0.69 0.00 0.00 178.15 177.11 1mux h ARG 126 N 0.03 0.83 0.00 2.37 2.43 -1.20 0.25 114.38 119.08 1mux h ARG 126 Ca 0.49 -0.46 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1mux h ARG 126 Cb 1.91 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.48 1mux h ARG 126 CO -0.02 1.10 -0.29 0.93 -1.51 0.00 0.00 179.97 180.18 1mux h GLU 127 N 0.61 0.00 0.00 0.20 5.08 -0.08 -2.81 114.58 117.58 1mux h GLU 127 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1mux h GLU 127 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1mux h GLU 127 CO 0.09 0.29 -1.15 0.00 -1.00 0.00 0.00 179.01 177.24 1mux n ALA 128 N -2.43 3.03 -2.62 3.43 0.00 -0.97 -4.67 120.51 116.28 1mux n ALA 128 Ca -0.02 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1mux n ALA 128 Cb 0.36 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 1mux n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mux s ASP 129 N -4.45 6.78 -0.05 0.00 1.11 0.06 -4.67 116.67 115.46 1mux s ASP 129 Ca 0.01 -2.26 0.07 0.00 0.18 0.00 0.00 52.55 50.55 1mux s ASP 129 Cb 0.13 -2.55 -0.24 0.00 1.07 0.00 0.00 42.92 41.32 1mux s ASP 129 CO 0.81 -1.20 0.63 0.16 1.18 0.00 0.00 175.17 176.75 1mux h ILE 130 N 5.77 0.85 0.00 0.77 3.07 -1.83 -3.37 117.51 122.77 1mux h ILE 130 Ca 0.37 -2.66 0.00 0.00 1.55 0.00 0.00 64.86 64.12 1mux h ILE 130 Cb 0.91 2.47 0.00 0.00 -0.27 0.00 0.00 36.82 39.93 1mux h ILE 130 CO 1.42 0.61 -0.28 -0.90 -1.05 0.00 0.00 178.15 177.95 1mux n ASP 131 N -3.17 1.42 -0.05 2.16 5.75 -1.26 -4.85 116.55 116.54 1mux n ASP 131 Ca -0.19 -0.31 -0.04 0.00 -0.01 0.00 0.00 54.79 54.23 1mux n ASP 131 Cb 1.05 0.91 -0.01 0.00 -1.03 0.00 0.00 41.12 42.03 1mux n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 132 N 1.33 -0.66 2.59 6.12 0.00 -1.26 -5.07 105.19 108.24 1mux n GLY 132 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.78 -0.65 0.00 1.61 9.92 -1.26 -4.42 116.55 117.97 1mux n ASP 133 Ca -0.07 1.39 0.00 0.00 -0.53 0.00 0.00 54.79 55.58 1mux n ASP 133 Cb 0.26 -5.31 0.00 0.00 -0.64 0.00 0.00 41.12 35.43 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mux n GLY 134 N 1.74 3.09 3.50 0.44 0.00 -1.26 -5.01 105.19 107.69 1mux n GLY 134 Ca -0.42 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 1mux n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mux s GLN 135 N -0.67 1.01 0.15 1.61 -0.44 -1.26 -4.81 119.66 115.26 1mux s GLN 135 Ca 0.00 0.02 0.10 0.00 -2.50 0.00 0.00 55.36 52.98 1mux s GLN 135 Cb 0.00 0.47 -0.04 0.00 -1.64 0.00 0.00 33.01 31.80 1mux s GLN 135 CO 0.00 -0.36 -0.23 0.08 0.50 0.00 0.00 175.29 175.28 1mux s VAL 136 N -1.94 2.09 0.00 1.34 1.01 -1.05 -4.34 120.40 117.51 1mux s VAL 136 Ca -0.05 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1mux s VAL 136 Cb -0.00 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1mux s VAL 136 CO 0.02 -0.10 0.00 -0.46 0.00 0.00 0.00 175.10 174.55 1mux n ASN 137 N 0.58 1.00 0.29 3.32 0.23 -1.26 -2.31 115.26 117.12 1mux n ASN 137 Ca -0.15 -0.88 -0.12 0.00 -0.53 0.00 0.00 54.58 52.90 1mux n ASN 137 Cb 0.55 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.19 1mux n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1mux h TYR 138 N 0.88 -0.73 -0.75 -2.53 5.03 -2.01 -2.81 116.97 114.05 1mux h TYR 138 Ca 0.00 -0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.41 1mux h TYR 138 Cb 0.00 0.24 -0.13 0.00 1.55 0.00 0.00 36.73 38.40 1mux h TYR 138 CO 0.00 -0.44 -0.41 1.49 -1.32 0.00 0.00 178.16 177.48 1mux h GLU 139 N -0.76 -0.12 -0.52 1.82 4.81 -1.94 -0.36 114.58 117.51 1mux h GLU 139 Ca -0.08 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1mux h GLU 139 Cb 0.59 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.89 1mux h GLU 139 CO 0.12 -0.08 -0.20 0.93 -0.73 0.00 0.00 179.01 179.05 1mux h GLU 140 N -0.12 -0.08 -0.32 1.92 5.08 -1.91 0.11 114.58 119.25 1mux h GLU 140 Ca 0.24 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1mux h GLU 140 Cb 0.56 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1mux h GLU 140 CO -0.80 -0.05 0.22 0.35 -1.00 0.00 0.00 179.01 177.72 1mux h PHE 141 N -0.08 0.37 0.00 4.33 3.04 -0.82 0.43 116.94 124.22 1mux h PHE 141 Ca 0.24 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 62.08 1mux h PHE 141 Cb 0.46 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1mux h PHE 141 CO -0.50 0.23 -0.59 0.28 -2.02 0.00 0.00 178.31 175.72 1mux h VAL 142 N 0.40 1.14 0.00 1.41 2.07 -0.10 -3.04 116.25 118.13 1mux h VAL 142 Ca 0.12 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.39 1mux h VAL 142 Cb 0.01 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1mux h VAL 142 CO -0.03 0.58 -1.01 1.67 0.02 0.00 0.00 177.57 178.80 1mux n GLN 143 N -3.43 0.07 -0.02 1.57 -0.06 -0.50 -3.72 117.38 111.30 1mux n GLN 143 Ca 0.00 -0.02 -0.14 0.00 -2.00 0.00 0.00 57.00 54.85 1mux n GLN 143 Cb 0.69 -1.51 -0.14 0.00 -4.06 0.00 0.00 30.24 25.22 1mux n GLN 143 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mux n MET 144 N -1.59 0.68 0.11 3.69 0.00 0.08 -4.36 117.12 115.73 1mux n MET 144 Ca 0.03 0.26 -0.24 0.00 0.00 0.00 0.00 57.70 57.75 1mux n MET 144 Cb 0.36 -1.73 -0.15 0.00 0.00 0.00 0.00 33.22 31.69 1mux n MET 144 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 1mux h MET 145 N 0.03 0.47 -5.74 3.17 1.85 -1.72 -3.44 114.93 109.53 1mux h MET 145 Ca -0.37 -0.80 -0.58 0.00 -0.61 0.00 0.00 59.70 57.35 1mux h MET 145 Cb 2.03 0.30 -0.08 0.00 0.43 0.00 0.00 31.60 34.28 1mux h MET 145 CO 0.07 1.38 -0.15 0.95 -0.40 0.00 0.00 176.91 178.77 1mux s THR 146 N -2.58 5.18 -0.30 -0.77 -4.23 -1.24 -5.04 115.64 106.66 1mux s THR 146 Ca -0.13 0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 61.16 1mux s THR 146 Cb 0.05 -3.81 0.19 0.00 1.34 0.00 0.00 72.50 70.26 1mux s THR 146 CO 0.90 0.34 1.15 0.00 -0.54 0.00 0.00 174.62 176.47 1mux s ALA 147 N 0.55 -2.61 -2.00 3.99 0.00 -1.26 -4.72 121.76 115.71 1mux s ALA 147 Ca 0.26 2.04 0.29 0.00 0.00 0.00 0.00 51.96 54.54 1mux s ALA 147 Cb -0.15 -1.93 1.72 0.00 0.00 0.00 0.00 23.12 22.75 1mux s ALA 147 CO 0.10 -0.43 2.06 1.63 0.00 0.00 0.00 175.76 179.12