#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 5.79 0.01 0.00 1.01 -1.26 -4.95 116.67 117.27 1mux s ASP 2 Ca 0.00 1.30 -0.13 0.00 0.71 0.00 0.00 52.55 54.43 1mux s ASP 2 Cb 0.00 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.42 1mux s ASP 2 CO 0.00 -1.79 0.26 -1.10 0.21 0.00 0.00 175.17 172.75 1mux s GLN 3 N 5.85 0.67 0.18 8.23 -0.21 -1.26 -5.12 119.66 128.01 1mux s GLN 3 Ca 0.81 -0.36 -0.33 0.00 0.02 0.00 0.00 55.36 55.50 1mux s GLN 3 Cb -0.23 0.29 -0.13 0.00 1.00 0.00 0.00 33.01 33.95 1mux s GLN 3 CO 0.33 -0.19 1.67 1.28 -2.12 0.00 0.00 175.29 176.26 1mux n LEU 4 N 1.06 3.62 0.00 2.90 4.77 -1.26 -4.68 117.00 123.40 1mux n LEU 4 Ca -0.21 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 1mux n LEU 4 Cb 0.57 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1mux n LEU 4 CO 0.22 -0.02 0.00 0.41 -1.33 0.00 0.00 177.39 176.67 1mux n THR 5 N 3.77 0.00 0.50 -5.08 -1.04 -1.26 -4.91 114.28 106.26 1mux n THR 5 Ca 0.17 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.29 1mux n THR 5 Cb 0.32 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 68.99 1mux n THR 5 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1mux h GLU 6 N 0.00 0.00 0.12 -2.82 -0.00 -1.99 -3.25 114.58 106.64 1mux h GLU 6 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1mux h GLU 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1mux h GLU 6 CO 0.00 0.00 -0.06 1.49 -0.00 0.00 0.00 179.01 180.44 1mux h GLU 7 N 0.00 -0.15 0.40 1.06 4.57 -1.93 -2.15 114.58 116.37 1mux h GLU 7 Ca 0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1mux h GLU 7 Cb 0.79 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 1mux h GLU 7 CO 0.00 -0.10 -0.46 1.96 -1.18 0.00 0.00 179.01 179.23 1mux h GLN 8 N -0.44 -0.85 -0.65 1.92 4.20 -1.93 -1.85 115.11 115.51 1mux h GLN 8 Ca -0.02 0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.89 1mux h GLN 8 Cb 0.12 0.19 -0.12 0.00 0.30 0.00 0.00 27.48 27.98 1mux h GLN 8 CO 0.03 -0.57 -0.09 0.82 -0.67 0.00 0.00 178.83 178.35 1mux h ILE 9 N -0.89 0.40 -0.90 2.54 2.04 -1.73 0.21 117.51 119.19 1mux h ILE 9 Ca -0.04 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 65.95 1mux h ILE 9 Cb 0.80 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 37.13 1mux h ILE 9 CO -0.10 0.01 0.51 0.00 0.00 0.00 0.00 178.15 178.57 1mux h ALA 10 N 1.63 1.38 -0.81 1.87 0.00 -0.87 -0.29 119.26 122.17 1mux h ALA 10 Ca 0.33 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1mux h ALA 10 Cb 0.52 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1mux h ALA 10 CO -0.62 -0.00 0.48 1.49 0.00 0.00 0.00 179.25 180.60 1mux h GLU 11 N 0.74 1.11 -0.01 0.00 4.22 0.22 -1.52 114.58 119.33 1mux h GLU 11 Ca 0.48 -0.11 -0.04 0.00 0.08 0.00 0.00 59.36 59.77 1mux h GLU 11 Cb 0.63 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1mux h GLU 11 CO -0.33 0.79 -0.20 0.74 -2.18 0.00 0.00 179.01 177.83 1mux h PHE 12 N 1.11 0.02 -0.39 0.92 0.04 -0.56 -2.23 116.94 115.85 1mux h PHE 12 Ca 0.29 -0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.92 1mux h PHE 12 Cb -0.03 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1mux h PHE 12 CO -0.00 0.22 -0.32 0.87 -0.60 0.00 0.00 178.31 178.48 1mux h LYS 13 N 0.02 0.88 -0.45 1.51 1.57 -0.59 -2.46 116.57 117.05 1mux h LYS 13 Ca 0.00 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1mux h LYS 13 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1mux h LYS 13 CO 0.03 1.07 0.25 0.93 -0.57 0.00 0.00 179.45 181.16 1mux h GLU 14 N 0.74 0.62 -0.58 3.15 5.08 -0.92 -2.01 114.58 120.65 1mux h GLU 14 Ca 0.08 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1mux h GLU 14 Cb 0.88 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1mux h GLU 14 CO 0.08 0.48 0.33 0.00 -1.00 0.00 0.00 179.01 178.89 1mux h ALA 15 N 1.11 0.75 -0.83 3.43 0.00 -1.36 -1.40 119.26 120.96 1mux h ALA 15 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1mux h ALA 15 Cb 0.03 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1mux h ALA 15 CO -0.03 0.02 0.50 0.35 0.00 0.00 0.00 179.25 180.09 1mux h PHE 16 N 0.64 0.91 -0.76 0.00 3.04 -0.95 -1.08 116.94 118.74 1mux h PHE 16 Ca 0.24 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.25 1mux h PHE 16 Cb 0.09 -0.29 -0.04 0.00 2.56 0.00 0.00 35.95 38.27 1mux h PHE 16 CO -0.07 0.42 0.49 1.03 -2.02 0.00 0.00 178.31 178.15 1mux h SER 17 N 0.87 0.82 -0.02 0.41 0.87 -0.57 0.14 113.55 116.07 1mux h SER 17 Ca 0.38 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.94 1mux h SER 17 Cb 0.26 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1mux h SER 17 CO -0.21 0.57 0.01 0.25 -0.53 0.00 0.00 176.83 176.93 1mux h LEU 18 N 0.96 0.00 0.00 2.23 6.46 -0.62 -0.37 115.31 123.97 1mux h LEU 18 Ca 0.29 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1mux h LEU 18 Cb -0.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1mux h LEU 18 CO -0.09 0.00 -0.75 -0.26 -0.62 0.00 0.00 178.44 176.71 1mux h PHE 19 N 0.00 0.00 -2.46 1.25 0.04 -0.55 -3.38 116.94 111.84 1mux h PHE 19 Ca 0.01 0.00 -0.76 0.00 2.80 0.00 0.00 57.97 60.01 1mux h PHE 19 Cb 0.04 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 37.88 1mux h PHE 19 CO 0.00 0.00 0.61 -3.47 -0.60 0.00 0.00 178.31 174.85 1mux n ASP 20 N -2.54 6.41 -0.24 2.17 2.03 0.31 -4.52 116.55 120.17 1mux n ASP 20 Ca 0.02 -3.58 -0.03 0.00 0.52 0.00 0.00 54.79 51.72 1mux n ASP 20 Cb 0.51 -1.08 0.03 0.00 -0.72 0.00 0.00 41.12 39.86 1mux n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1mux h LYS 21 N 4.44 -0.09 -0.27 -0.67 1.57 -1.74 -0.99 116.57 118.83 1mux h LYS 21 Ca 0.35 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.03 1mux h LYS 21 Cb 0.46 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1mux h LYS 21 CO 1.16 -0.06 -0.26 0.38 -0.57 0.00 0.00 179.45 180.10 1mux h ASP 22 N -0.10 0.69 -0.34 0.86 2.03 -1.91 -3.48 116.42 114.17 1mux h ASP 22 Ca 0.28 -0.47 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1mux h ASP 22 Cb 0.56 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 1mux h ASP 22 CO -0.75 1.01 0.00 0.61 -1.03 0.00 0.00 179.24 179.09 1mux n GLY 23 N 0.15 0.55 0.04 7.15 0.00 -0.38 -5.03 105.19 107.68 1mux n GLY 23 Ca -0.04 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.81 1mux n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mux n ASP 24 N -0.17 1.41 0.00 1.61 5.68 -1.26 -5.01 116.55 118.82 1mux n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1mux n ASP 24 Cb 0.08 1.33 0.00 0.00 -1.14 0.00 0.00 41.12 41.39 1mux n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 25 N 1.83 1.96 3.32 6.12 0.00 -1.26 -5.13 105.19 112.04 1mux n GLY 25 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 0.06 -0.25 2.61 -4.23 -1.26 -4.23 115.64 106.34 1mux s THR 26 Ca 0.00 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 60.01 1mux s THR 26 Cb 0.00 -1.09 0.06 0.00 1.34 0.00 0.00 72.50 72.81 1mux s THR 26 CO 0.00 -0.29 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.11 1mux s ILE 27 N -3.36 1.70 0.00 2.99 1.01 -1.04 -4.68 121.20 117.82 1mux s ILE 27 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.27 1mux s ILE 27 Cb 0.01 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.53 1mux s ILE 27 CO -0.09 -0.13 0.00 0.35 0.00 0.00 0.00 174.94 175.08 1mux n THR 28 N 4.60 0.00 0.07 2.92 -2.24 -1.26 -2.32 114.28 116.05 1mux n THR 28 Ca -0.11 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1mux n THR 28 Cb 0.43 -1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 67.40 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 -0.10 0.77 0.37 4.28 1.35 -1.97 -3.03 112.91 114.58 1mux h THR 29 Ca 0.00 -2.25 -0.02 0.00 -0.55 0.00 0.00 66.41 63.59 1mux h THR 29 Cb 0.00 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1mux h THR 29 CO 0.00 0.44 -0.18 0.11 -0.25 0.00 0.00 175.52 175.64 1mux h LYS 30 N 0.00 -0.48 -0.47 4.72 6.56 -1.99 -0.14 116.57 124.78 1mux h LYS 30 Ca -0.10 0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.56 1mux h LYS 30 Cb 1.55 0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 33.28 1mux h LYS 30 CO 0.06 -0.32 0.24 0.93 -2.06 0.00 0.00 179.45 178.30 1mux h GLU 31 N -0.86 0.46 -0.20 3.15 5.08 -1.88 -0.54 114.58 119.79 1mux h GLU 31 Ca -0.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1mux h GLU 31 Cb 0.38 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1mux h GLU 31 CO 0.08 0.31 0.12 1.25 -1.00 0.00 0.00 179.01 179.77 1mux h LEU 32 N 0.48 0.24 0.08 1.33 5.85 -1.61 -0.81 115.31 120.86 1mux h LEU 32 Ca 0.20 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1mux h LEU 32 Cb 0.10 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1mux h LEU 32 CO -0.14 0.18 -0.04 1.23 -0.34 0.00 0.00 178.44 179.34 1mux h GLY 33 N 0.31 -0.12 2.00 3.75 0.00 0.64 -1.32 103.07 108.33 1mux h GLY 33 Ca 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1mux h GLY 33 CO -0.01 -0.04 -0.12 -0.84 0.00 0.00 0.00 176.54 175.53 1mux h THR 34 N -0.14 0.31 -0.08 4.70 2.02 -1.08 -2.16 112.91 116.48 1mux h THR 34 Ca -0.01 -0.78 -0.12 0.00 0.77 0.00 0.00 66.41 66.27 1mux h THR 34 Cb 0.11 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1mux h THR 34 CO 0.02 0.11 -0.49 0.58 0.37 0.00 0.00 175.52 176.11 1mux h VAL 35 N 0.00 1.35 0.00 3.16 2.07 -0.26 -2.77 116.25 119.80 1mux h VAL 35 Ca -0.00 -1.72 -0.07 0.00 0.82 0.00 0.00 66.70 65.73 1mux h VAL 35 Cb 0.59 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1mux h VAL 35 CO 0.01 0.51 -0.91 0.24 0.02 0.00 0.00 177.57 177.44 1mux h MET 36 N 0.16 0.00 -0.23 1.57 2.86 -0.86 -2.87 114.93 115.56 1mux h MET 36 Ca 0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1mux h MET 36 Cb 0.93 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 1mux h MET 36 CO 0.07 0.18 -0.10 0.00 1.06 0.00 0.00 176.91 178.12 1mux h ARG 37 N 0.00 0.48 -0.49 1.72 2.47 -1.19 0.67 114.38 118.05 1mux h ARG 37 Ca -0.05 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1mux h ARG 37 Cb 1.26 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1mux h ARG 37 CO 0.03 0.74 0.00 0.43 0.56 0.00 0.00 179.97 181.73 1mux n SER 38 N -4.52 2.85 -2.73 7.04 7.64 -1.06 -4.59 113.62 118.25 1mux n SER 38 Ca -0.04 -1.97 -0.06 0.00 1.01 0.00 0.00 58.87 57.82 1mux n SER 38 Cb 0.33 -0.32 0.04 0.00 -1.01 0.00 0.00 64.21 63.25 1mux n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1mux n LEU 39 N 1.06 -2.73 0.00 -3.43 7.94 -1.08 -5.06 117.00 113.70 1mux n LEU 39 Ca 0.18 -2.69 0.00 0.00 -1.11 0.00 0.00 56.01 52.39 1mux n LEU 39 Cb 0.46 0.74 0.00 0.00 0.53 0.00 0.00 43.42 45.15 1mux n LEU 39 CO 0.13 1.83 0.00 0.61 -1.11 0.00 0.00 177.39 178.85 1mux n GLY 40 N 2.21 -0.15 0.00 -3.96 0.00 -0.97 -4.34 105.19 97.97 1mux n GLY 40 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1mux n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mux n GLN 41 N 0.00 0.00 -3.50 1.61 10.64 0.19 -5.00 117.38 121.32 1mux n GLN 41 Ca 0.00 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.90 1mux n GLN 41 Cb 0.00 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.29 1mux n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1mux n ASN 42 N 0.00 3.38 -4.74 2.61 5.15 -1.26 -3.42 115.26 116.98 1mux n ASN 42 Ca 0.00 -3.35 -0.41 0.00 -0.60 0.00 0.00 54.58 50.22 1mux n ASN 42 Cb 0.00 -0.68 -0.04 0.00 -0.53 0.00 0.00 39.78 38.53 1mux n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1mux s PRO 43 N -2.19 4.62 0.00 1.20 0.04 -1.26 -5.05 135.00 132.36 1mux s PRO 43 Ca 0.37 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1mux s PRO 43 Cb 0.11 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1mux s PRO 43 CO -0.05 0.11 0.00 0.25 0.04 0.00 0.00 177.00 177.35 1mux n THR 44 N 2.35 0.00 -0.10 1.26 -2.24 -1.26 -4.87 114.28 109.41 1mux n THR 44 Ca 0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 1mux n THR 44 Cb 0.46 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.60 1mux n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mux n GLU 45 N 0.00 0.50 0.16 -0.78 1.02 -1.26 -3.97 120.64 116.31 1mux n GLU 45 Ca 0.00 0.14 -0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1mux n GLU 45 Cb 0.00 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1mux n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mux h ALA 46 N -0.19 -0.65 -0.93 0.62 0.00 -2.00 -2.17 119.26 113.94 1mux h ALA 46 Ca -0.48 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.50 1mux h ALA 46 Cb 1.65 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 19.51 1mux h ALA 46 CO -0.13 -0.62 0.52 1.49 0.00 0.00 0.00 179.25 180.51 1mux h GLU 47 N -0.75 0.67 0.01 0.00 4.81 -1.98 -1.06 114.58 116.27 1mux h GLU 47 Ca -0.05 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1mux h GLU 47 Cb 0.35 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1mux h GLU 47 CO 0.08 0.44 -0.20 1.25 -0.73 0.00 0.00 179.01 179.85 1mux h LEU 48 N 0.69 -0.59 -1.25 1.64 6.46 -1.68 -0.75 115.31 119.84 1mux h LEU 48 Ca 0.52 0.08 0.20 0.00 -0.12 0.00 0.00 57.88 58.57 1mux h LEU 48 Cb 0.78 0.24 -0.09 0.00 -0.73 0.00 0.00 40.66 40.86 1mux h LEU 48 CO -0.38 -0.27 0.62 -0.61 -0.62 0.00 0.00 178.44 177.18 1mux h GLN 49 N -0.33 0.57 -0.76 1.25 4.15 -0.52 0.21 115.11 119.68 1mux h GLN 49 Ca 0.06 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 1mux h GLN 49 Cb 0.40 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1mux h GLN 49 CO -0.18 0.38 0.31 0.22 -1.93 0.00 0.00 178.83 177.63 1mux h ASP 50 N 0.59 1.04 0.64 -0.69 1.82 -0.75 -0.92 116.42 118.15 1mux h ASP 50 Ca 0.54 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 1mux h ASP 50 Cb 1.06 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.80 1mux h ASP 50 CO -0.29 0.92 0.00 -0.03 -1.61 0.00 0.00 179.24 178.24 1mux h MET 51 N 1.09 0.00 0.00 0.28 4.05 0.08 -2.35 114.93 118.08 1mux h MET 51 Ca 0.25 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.53 1mux h MET 51 Cb 0.20 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 1mux h MET 51 CO -0.02 0.00 -1.19 0.82 0.23 0.00 0.00 176.91 176.74 1mux h ILE 52 N 0.00 0.58 -0.72 1.77 2.04 -0.52 -3.35 117.51 117.30 1mux h ILE 52 Ca 0.00 -2.03 -0.03 0.00 1.00 0.00 0.00 64.86 63.80 1mux h ILE 52 Cb 0.32 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 1mux h ILE 52 CO 0.00 0.33 0.32 0.78 0.00 0.00 0.00 178.15 179.58 1mux h ASN 53 N 0.00 0.95 0.52 1.72 2.35 -0.78 -0.98 115.58 119.36 1mux h ASN 53 Ca -0.12 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1mux h ASN 53 Cb 1.52 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1mux h ASN 53 CO 0.05 0.82 0.00 1.05 -1.65 0.00 0.00 177.43 177.70 1mux h GLU 54 N 1.03 0.00 0.00 0.81 4.11 -1.69 -3.32 114.58 115.52 1mux h GLU 54 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1mux h GLU 54 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1mux h GLU 54 CO -0.03 0.00 -0.02 0.28 0.07 0.00 0.00 179.01 179.31 1mux n VAL 55 N -2.89 0.04 -1.67 -1.06 0.31 -0.57 -4.91 118.33 107.59 1mux n VAL 55 Ca -0.01 0.49 -0.59 0.00 -0.01 0.00 0.00 64.34 64.22 1mux n VAL 55 Cb 0.18 -1.53 -0.08 0.00 -0.91 0.00 0.00 33.84 31.51 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 -2.46 1.65 -1.92 4.52 -0.08 -0.48 -4.84 116.55 112.94 1mux n ASP 56 Ca -0.00 1.12 -0.23 0.00 -1.51 0.00 0.00 54.79 54.17 1mux n ASP 56 Cb 0.01 -1.06 0.10 0.00 2.34 0.00 0.00 41.12 42.51 1mux n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mux n ALA 57 N 3.98 5.32 0.02 -1.67 0.00 -1.26 -4.63 120.51 122.26 1mux n ALA 57 Ca 0.25 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 50.22 1mux n ALA 57 Cb 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1mux n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mux n ASP 58 N -0.92 0.20 0.00 0.00 8.00 -1.26 -5.05 116.55 117.52 1mux n ASP 58 Ca 0.49 0.05 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1mux n ASP 58 Cb 0.93 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 1mux n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mux n GLY 59 N 2.81 1.58 0.08 0.44 0.00 -1.26 -5.00 105.19 103.84 1mux n GLY 59 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.55 0.00 1.61 0.23 -1.26 -4.99 115.26 111.40 1mux n ASN 60 Ca 0.00 0.22 0.00 0.00 -0.53 0.00 0.00 54.58 54.27 1mux n ASN 60 Cb 0.00 0.94 0.00 0.00 -2.08 0.00 0.00 39.78 38.64 1mux n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mux n GLY 61 N 1.25 3.14 3.98 4.83 0.00 -1.26 -5.05 105.19 112.08 1mux n GLY 61 Ca -0.03 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.26 4.11 0.22 2.61 -4.23 -1.26 -4.88 115.64 111.94 1mux s THR 62 Ca 0.00 -0.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1mux s THR 62 Cb 0.00 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.37 1mux s THR 62 CO 0.00 -0.19 0.29 -0.63 -0.54 0.00 0.00 174.62 173.54 1mux s ILE 63 N -2.23 5.01 0.00 2.99 1.01 -0.98 -4.90 121.20 122.10 1mux s ILE 63 Ca 0.45 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1mux s ILE 63 Cb -0.10 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1mux s ILE 63 CO 0.32 -0.27 0.00 0.47 0.00 0.00 0.00 174.94 175.46 1mux n ASP 64 N -1.10 1.34 0.02 3.58 8.00 -1.26 -2.48 116.55 124.65 1mux n ASP 64 Ca -0.08 -0.78 -0.19 0.00 0.71 0.00 0.00 54.79 54.45 1mux n ASP 64 Cb 0.56 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.55 1mux n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1mux h PHE 65 N 0.52 0.74 0.00 1.24 3.57 -2.00 -2.78 116.94 118.23 1mux h PHE 65 Ca 0.00 -0.42 -0.08 0.00 3.53 0.00 0.00 57.97 61.00 1mux h PHE 65 Cb 0.00 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1mux h PHE 65 CO 0.00 1.25 -0.38 -1.00 -2.23 0.00 0.00 178.31 175.95 1mux h PRO 66 N 0.02 0.00 0.00 6.41 0.13 -1.97 -2.56 132.00 134.03 1mux h PRO 66 Ca -0.10 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 1mux h PRO 66 Cb 1.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.60 1mux h PRO 66 CO 0.15 0.38 -0.40 0.93 -0.23 0.00 0.00 178.00 178.83 1mux h GLU 67 N 0.00 0.00 0.02 0.86 5.08 -1.96 -1.95 114.58 116.63 1mux h GLU 67 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mux h GLU 67 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1mux h GLU 67 CO 0.05 0.40 -0.01 0.35 -1.00 0.00 0.00 179.01 178.80 1mux h PHE 68 N 0.00 -0.02 0.00 4.33 3.57 -1.20 -2.62 116.94 120.99 1mux h PHE 68 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1mux h PHE 68 Cb 1.24 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 1mux h PHE 68 CO 0.00 0.74 -0.00 1.25 -2.23 0.00 0.00 178.31 178.06 1mux h LEU 69 N -0.93 0.00 0.00 0.59 6.46 -1.57 -2.41 115.31 117.45 1mux h LEU 69 Ca -0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1mux h LEU 69 Cb 0.77 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 1mux h LEU 69 CO 0.00 0.00 -0.27 0.74 -0.62 0.00 0.00 178.44 178.30 1mux h THR 70 N 0.00 1.47 0.00 1.05 2.02 -1.45 -2.03 112.91 113.97 1mux h THR 70 Ca -0.00 -2.20 -0.09 0.00 0.77 0.00 0.00 66.41 64.89 1mux h THR 70 Cb 0.76 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 70.03 1mux h THR 70 CO 0.00 0.50 -0.43 0.00 0.37 0.00 0.00 175.52 175.95 1mux h MET 71 N -1.00 0.00 0.00 6.66 -0.00 -1.55 -2.56 114.93 116.49 1mux h MET 71 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1mux h MET 71 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.59 1mux h MET 71 CO -0.04 0.43 -0.42 -1.33 -0.00 0.00 0.00 176.91 175.55 1mux n MET 72 N -3.97 0.17 0.17 -0.10 2.00 -0.91 -3.74 117.12 110.73 1mux n MET 72 Ca -0.02 0.07 0.04 0.00 0.00 0.00 0.00 57.70 57.80 1mux n MET 72 Cb 0.47 -1.63 0.22 0.00 0.00 0.00 0.00 33.22 32.28 1mux n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1mux h ALA 73 N 2.71 0.86 -1.00 3.04 0.00 -0.92 -3.15 119.26 120.80 1mux h ALA 73 Ca 0.00 -0.40 -0.58 0.00 0.00 0.00 0.00 54.91 53.93 1mux h ALA 73 Cb 0.65 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.06 1mux h ALA 73 CO 0.00 0.55 0.74 0.54 0.00 0.00 0.00 179.25 181.08 1mux n ARG 74 N -3.42 2.41 -1.68 0.00 5.12 -1.23 -4.98 116.66 112.88 1mux n ARG 74 Ca 0.00 -3.11 -0.49 0.00 -1.93 0.00 0.00 57.85 52.32 1mux n ARG 74 Cb 0.60 -2.22 -0.05 0.00 -1.16 0.00 0.00 32.46 29.63 1mux n ARG 74 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1mux n LYS 75 N -1.06 1.97 -3.78 5.56 4.81 -1.19 -4.95 118.16 119.51 1mux n LYS 75 Ca 0.61 0.72 -0.17 0.00 -0.87 0.00 0.00 58.31 58.60 1mux n LYS 75 Cb 1.30 -2.51 -0.17 0.00 0.02 0.00 0.00 35.03 33.68 1mux n LYS 75 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1mux s MET 76 N 2.90 0.04 0.26 1.64 1.75 -1.26 -5.15 119.30 119.48 1mux s MET 76 Ca 0.89 0.21 0.06 0.00 -1.25 0.00 0.00 55.69 55.60 1mux s MET 76 Cb -0.76 -0.38 -0.05 0.00 2.84 0.00 0.00 34.83 36.47 1mux s MET 76 CO 0.49 -0.20 -0.07 0.15 -0.65 0.00 0.00 175.02 174.74 1mux s LYS 77 N 1.35 1.49 0.02 4.11 1.02 -1.26 -5.16 119.74 121.31 1mux s LYS 77 Ca -0.05 -1.74 -0.08 0.00 0.02 0.00 0.00 55.97 54.12 1mux s LYS 77 Cb -0.13 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.10 1mux s LYS 77 CO -0.03 0.05 0.16 0.16 -0.92 0.00 0.00 175.35 174.77 1mux s ASP 78 N -3.40 0.04 0.01 2.83 1.47 -1.26 -5.17 116.67 111.19 1mux s ASP 78 Ca 0.28 -0.32 -0.20 0.00 1.18 0.00 0.00 52.55 53.49 1mux s ASP 78 Cb 0.03 0.25 0.04 0.00 -0.34 0.00 0.00 42.92 42.90 1mux s ASP 78 CO 0.11 -0.48 0.45 -0.89 0.68 0.00 0.00 175.17 175.04 1mux s THR 79 N -2.08 0.04 0.30 2.11 2.01 -1.26 -5.17 115.64 111.59 1mux s THR 79 Ca -0.09 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 61.62 1mux s THR 79 Cb -0.04 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 1mux s THR 79 CO -0.02 -0.19 0.42 -1.81 -0.69 0.00 0.00 174.62 172.33 1mux s ASP 80 N -1.65 6.04 0.14 3.53 1.01 -1.26 -5.12 116.67 119.37 1mux s ASP 80 Ca -0.09 -0.12 -0.03 0.00 0.71 0.00 0.00 52.55 53.02 1mux s ASP 80 Cb -0.02 -1.41 0.01 0.00 1.01 0.00 0.00 42.92 42.51 1mux s ASP 80 CO 0.02 -0.31 0.24 -1.54 0.21 0.00 0.00 175.17 173.79 1mux n SER 81 N -1.55 -0.70 -4.19 0.27 3.41 -1.26 -5.19 113.62 104.42 1mux n SER 81 Ca -0.03 -1.67 -0.11 0.00 -0.26 0.00 0.00 58.87 56.80 1mux n SER 81 Cb 0.58 1.22 -0.10 0.00 -0.26 0.00 0.00 64.21 65.64 1mux n SER 81 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1mux s GLU 82 N -2.17 0.98 -0.47 4.33 2.02 -1.26 -5.11 118.70 117.02 1mux s GLU 82 Ca 0.09 -1.46 0.05 0.00 0.02 0.00 0.00 54.97 53.66 1mux s GLU 82 Cb -0.01 -0.01 0.23 0.00 0.10 0.00 0.00 34.13 34.44 1mux s GLU 82 CO 0.06 -0.18 0.91 -0.85 0.02 0.00 0.00 175.26 175.22 1mux n GLU 83 N -0.14 0.64 0.00 1.61 0.00 -1.26 -5.02 120.64 116.46 1mux n GLU 83 Ca -0.07 -1.64 0.00 0.00 0.00 0.00 0.00 57.16 55.45 1mux n GLU 83 Cb 0.63 -1.28 0.00 0.00 0.00 0.00 0.00 31.44 30.79 1mux n GLU 83 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1mux n GLU 84 N 1.91 0.00 -0.01 3.44 1.02 -1.26 -4.37 120.64 121.37 1mux n GLU 84 Ca 0.10 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.31 1mux n GLU 84 Cb 0.63 -0.32 0.46 0.00 -0.02 0.00 0.00 31.44 32.18 1mux n GLU 84 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1mux h ILE 85 N 0.00 1.03 -0.64 -3.67 2.04 -2.00 -1.46 117.51 112.81 1mux h ILE 85 Ca 0.00 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.78 1mux h ILE 85 Cb 0.00 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 1mux h ILE 85 CO 0.00 0.09 0.29 -0.09 0.00 0.00 0.00 178.15 178.44 1mux h ARG 86 N 0.48 0.50 -0.45 2.37 2.43 -1.96 -0.51 114.38 117.24 1mux h ARG 86 Ca 0.18 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1mux h ARG 86 Cb 0.13 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1mux h ARG 86 CO -0.04 0.33 0.01 0.93 -1.51 0.00 0.00 179.97 179.69 1mux h GLU 87 N 0.51 0.72 0.80 0.20 4.39 -1.47 -2.35 114.58 117.38 1mux h GLU 87 Ca 0.31 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 1mux h GLU 87 Cb 0.33 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1mux h GLU 87 CO -0.26 0.73 -0.39 0.00 -1.16 0.00 0.00 179.01 177.93 1mux h ALA 88 N 1.33 -1.27 -0.40 3.43 0.00 -0.85 -2.06 119.26 119.44 1mux h ALA 88 Ca 0.14 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1mux h ALA 88 Cb 0.41 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1mux h ALA 88 CO 0.02 -1.19 0.33 0.35 0.00 0.00 0.00 179.25 178.76 1mux h PHE 89 N -1.10 0.00 -0.10 0.00 3.57 -1.36 -1.88 116.94 116.07 1mux h PHE 89 Ca -0.11 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 1mux h PHE 89 Cb 0.83 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1mux h PHE 89 CO 0.04 0.00 -0.06 -0.09 -2.23 0.00 0.00 178.31 175.97 1mux h ARG 90 N 0.00 0.22 0.00 1.11 2.43 -1.02 -1.27 114.38 115.85 1mux h ARG 90 Ca 0.19 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1mux h ARG 90 Cb 0.85 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1mux h ARG 90 CO -0.00 0.59 -0.22 -0.39 -1.51 0.00 0.00 179.97 178.43 1mux h VAL 91 N -0.15 0.62 0.00 0.20 -1.51 -0.66 -2.66 116.25 112.09 1mux h VAL 91 Ca 0.02 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 1mux h VAL 91 Cb 0.53 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1mux h VAL 91 CO 0.02 0.22 -0.52 -0.26 -1.23 0.00 0.00 177.57 175.79 1mux h PHE 92 N 0.00 0.00 -3.44 5.19 0.04 -1.31 -3.42 116.94 114.01 1mux h PHE 92 Ca -0.00 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 60.05 1mux h PHE 92 Cb 0.65 0.00 -0.32 0.00 2.20 0.00 0.00 35.95 38.48 1mux h PHE 92 CO 0.00 0.00 -0.39 0.34 -0.60 0.00 0.00 178.31 177.66 1mux s ASP 93 N -4.85 5.56 -0.05 2.17 2.15 -0.49 -4.68 116.67 116.48 1mux s ASP 93 Ca 0.05 -2.22 0.18 0.00 0.43 0.00 0.00 52.55 51.00 1mux s ASP 93 Cb 0.11 -1.94 0.59 0.00 -0.30 0.00 0.00 42.92 41.38 1mux s ASP 93 CO 0.71 -0.57 1.50 0.29 -0.17 0.00 0.00 175.17 176.93 1mux n LYS 94 N 4.44 3.15 -0.02 4.34 5.02 -1.26 -4.50 118.16 129.32 1mux n LYS 94 Ca -0.01 -2.63 -0.03 0.00 -2.02 0.00 0.00 58.31 53.61 1mux n LYS 94 Cb 0.41 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1mux n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1mux n ASP 95 N 1.06 3.08 0.00 4.39 5.68 -1.26 -5.06 116.55 124.45 1mux n ASP 95 Ca 0.22 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 1mux n ASP 95 Cb 0.70 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1mux n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 96 N 3.19 1.33 0.01 6.12 0.00 -1.26 -5.03 105.19 109.55 1mux n GLY 96 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 0.20 -1.58 1.61 0.23 -1.26 -5.01 115.26 109.44 1mux n ASN 97 Ca 0.00 -0.60 -0.10 0.00 -0.53 0.00 0.00 54.58 53.35 1mux n ASN 97 Cb 0.00 0.95 0.02 0.00 -2.08 0.00 0.00 39.78 38.67 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mux n GLY 98 N 1.03 0.15 2.85 4.83 0.00 -1.26 -5.03 105.19 107.75 1mux n GLY 98 Ca 0.01 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.87 -0.00 -0.27 1.61 2.02 -1.26 -4.48 117.35 112.10 1mux s TYR 99 Ca 0.16 0.07 -0.18 0.00 -0.37 0.00 0.00 57.07 56.74 1mux s TYR 99 Cb -0.07 -0.07 -0.02 0.00 -0.40 0.00 0.00 41.96 41.39 1mux s TYR 99 CO 0.20 -0.03 0.53 0.42 -1.57 0.00 0.00 175.55 175.09 1mux s ILE 100 N 0.35 5.05 0.12 2.71 1.01 -0.97 -4.78 121.20 124.70 1mux s ILE 100 Ca -0.03 0.87 0.06 0.00 0.00 0.00 0.00 60.65 61.55 1mux s ILE 100 Cb -0.04 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1mux s ILE 100 CO -0.01 0.05 -0.01 -0.94 0.00 0.00 0.00 174.94 174.04 1mux s SER 101 N 1.56 4.90 0.54 3.58 1.04 -1.26 -2.58 113.70 121.47 1mux s SER 101 Ca 0.22 -0.27 0.24 0.00 0.48 0.00 0.00 55.95 56.62 1mux s SER 101 Cb -0.16 -1.11 1.40 0.00 0.10 0.00 0.00 66.02 66.25 1mux s SER 101 CO 0.09 0.14 2.04 0.00 0.98 0.00 0.00 173.24 176.50 1mux h ALA 102 N 3.18 2.30 0.26 5.32 0.00 -1.93 -1.87 119.26 126.52 1mux h ALA 102 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1mux h ALA 102 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1mux h ALA 102 CO 0.58 -0.46 -0.12 0.00 0.00 0.00 0.00 179.25 179.25 1mux h ALA 103 N 1.79 -0.35 0.40 0.00 0.00 -1.99 -0.50 119.26 118.62 1mux h ALA 103 Ca 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1mux h ALA 103 Cb 0.72 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1mux h ALA 103 CO -0.00 -0.63 -0.19 0.93 0.00 0.00 0.00 179.25 179.36 1mux h GLU 104 N -0.48 -0.52 -0.35 0.00 5.08 -1.74 -2.74 114.58 113.83 1mux h GLU 104 Ca -0.04 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1mux h GLU 104 Cb 0.36 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1mux h GLU 104 CO 0.06 -0.21 0.41 1.25 -1.00 0.00 0.00 179.01 179.52 1mux h LEU 105 N -0.86 0.00 -0.00 1.33 5.85 -1.42 0.29 115.31 120.49 1mux h LEU 105 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1mux h LEU 105 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1mux h LEU 105 CO 0.09 0.00 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.09 1mux h ARG 106 N 0.00 0.01 0.00 1.25 2.43 -0.80 -2.80 114.38 114.47 1mux h ARG 106 Ca 0.17 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1mux h ARG 106 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1mux h ARG 106 CO -0.00 0.58 0.00 0.72 -1.51 0.00 0.00 179.97 179.76 1mux n HIS 107 N -4.80 0.00 -0.02 2.20 8.25 -0.56 -2.39 115.22 117.90 1mux n HIS 107 Ca -0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.18 1mux n HIS 107 Cb 0.29 -0.47 -0.13 0.00 1.12 0.00 0.00 29.99 30.80 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 1.29 0.07 1.59 2.07 -0.95 -3.18 116.25 117.13 1mux h VAL 108 Ca 0.00 -2.38 -0.26 0.00 0.82 0.00 0.00 66.70 64.88 1mux h VAL 108 Cb 0.46 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 1mux h VAL 108 CO 0.00 0.62 -1.27 0.24 0.02 0.00 0.00 177.57 177.18 1mux h MET 109 N -0.59 0.14 -0.06 1.57 2.86 -1.58 -2.45 114.93 114.82 1mux h MET 109 Ca -0.21 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.12 1mux h MET 109 Cb 1.49 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.22 1mux h MET 109 CO 0.02 1.04 -0.34 1.15 1.06 0.00 0.00 176.91 179.85 1mux h THR 110 N 0.04 1.26 0.13 2.22 2.02 -1.62 -2.43 112.91 114.53 1mux h THR 110 Ca -0.13 -1.24 -0.32 0.00 0.77 0.00 0.00 66.41 65.49 1mux h THR 110 Cb 1.91 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 1mux h THR 110 CO 0.15 0.36 -1.68 0.78 0.37 0.00 0.00 175.52 175.51 1mux h ASN 111 N 0.10 0.42 -0.99 4.18 4.21 -1.62 -3.34 115.58 118.54 1mux h ASN 111 Ca 0.01 -0.88 0.29 0.00 1.21 0.00 0.00 56.30 56.93 1mux h ASN 111 Cb 0.64 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.67 1mux h ASN 111 CO 0.05 1.73 0.91 -0.07 -1.29 0.00 0.00 177.43 178.76 1mux h LEU 112 N -0.14 0.00 0.00 1.61 3.38 -1.43 -3.42 115.31 115.31 1mux h LEU 112 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1mux h LEU 112 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1mux h LEU 112 CO 0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1mux n GLY 113 N -1.69 0.98 3.02 0.83 0.00 -1.22 -5.11 105.19 102.00 1mux n GLY 113 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 1.82 -0.91 1.61 2.02 -0.92 -5.06 118.70 117.26 1mux s GLU 114 Ca 0.00 -0.43 -0.23 0.00 0.02 0.00 0.00 54.97 54.33 1mux s GLU 114 Cb 0.00 -1.55 0.07 0.00 0.10 0.00 0.00 34.13 32.75 1mux s GLU 114 CO 0.00 -0.03 1.29 0.15 0.02 0.00 0.00 175.26 176.69 1mux s LYS 115 N 0.86 3.47 0.34 1.61 -0.14 -1.26 -4.11 119.74 120.51 1mux s LYS 115 Ca -0.11 -1.10 0.00 0.00 -1.36 0.00 0.00 55.97 53.41 1mux s LYS 115 Cb -0.15 -4.93 0.00 0.00 -1.68 0.00 0.00 37.83 31.07 1mux s LYS 115 CO 0.01 -2.05 0.03 1.28 -0.76 0.00 0.00 175.35 173.86 1mux n LEU 116 N 8.27 0.00 0.00 3.17 4.77 -1.26 -5.12 117.00 126.83 1mux n LEU 116 Ca 0.22 -2.07 -0.15 0.00 -0.03 0.00 0.00 56.01 53.98 1mux n LEU 116 Cb 0.50 0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.74 1mux n LEU 116 CO 0.63 -0.32 0.04 1.07 -1.33 0.00 0.00 177.39 177.48 1mux n THR 117 N -0.89 0.00 0.18 -5.08 5.66 -1.26 -5.03 114.28 107.86 1mux n THR 117 Ca -0.12 -1.82 0.05 0.00 -3.05 0.00 0.00 64.05 59.11 1mux n THR 117 Cb 0.42 1.00 0.52 0.00 -1.55 0.00 0.00 70.33 70.72 1mux n THR 117 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1mux h ASP 118 N 1.75 0.12 -0.50 1.09 3.32 -2.01 -2.61 116.42 117.59 1mux h ASP 118 Ca -0.22 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 1mux h ASP 118 Cb 1.04 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1mux h ASP 118 CO 0.31 0.18 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.60 1mux h GLU 119 N 0.14 0.94 0.40 3.56 3.07 -1.99 -2.08 114.58 118.62 1mux h GLU 119 Ca 0.03 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.53 1mux h GLU 119 Cb 0.15 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1mux h GLU 119 CO 0.01 1.00 -0.19 0.93 -1.40 0.00 0.00 179.01 179.36 1mux h GLU 120 N 0.79 -0.52 -0.40 2.33 4.39 -1.87 -2.09 114.58 117.22 1mux h GLU 120 Ca 0.13 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.94 1mux h GLU 120 Cb 0.64 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.34 1mux h GLU 120 CO 0.04 -0.21 -0.04 0.28 -1.16 0.00 0.00 179.01 177.93 1mux h VAL 121 N -0.92 0.66 -0.91 3.13 2.07 -1.57 -1.17 116.25 117.54 1mux h VAL 121 Ca -0.05 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1mux h VAL 121 Cb 0.55 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1mux h VAL 121 CO 0.09 0.01 0.58 -0.78 0.02 0.00 0.00 177.57 177.49 1mux h ASP 122 N 0.06 0.92 0.04 0.57 1.82 -1.41 -1.56 116.42 116.86 1mux h ASP 122 Ca 0.19 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.77 1mux h ASP 122 Cb 0.29 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1mux h ASP 122 CO -0.36 0.60 -0.20 -0.08 -1.61 0.00 0.00 179.24 177.59 1mux h GLU 123 N 1.07 0.30 -0.15 0.28 4.57 -0.52 -2.34 114.58 117.79 1mux h GLU 123 Ca 0.39 -0.09 -0.21 0.00 -1.18 0.00 0.00 59.36 58.27 1mux h GLU 123 Cb 0.13 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1mux h GLU 123 CO -0.16 0.50 -0.73 0.52 -1.18 0.00 0.00 179.01 177.96 1mux h MET 124 N 0.28 0.70 0.00 1.92 2.86 -0.34 -2.73 114.93 117.62 1mux h MET 124 Ca 0.05 -0.55 -0.08 0.00 -2.06 0.00 0.00 59.70 57.05 1mux h MET 124 Cb 0.52 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1mux h MET 124 CO 0.03 1.17 -0.38 0.82 1.06 0.00 0.00 176.91 179.61 1mux h ILE 125 N 0.49 1.04 -0.08 -1.22 1.08 -1.20 -1.87 117.51 115.74 1mux h ILE 125 Ca -0.04 -1.44 -0.09 0.00 -0.39 0.00 0.00 64.86 62.90 1mux h ILE 125 Cb 1.34 1.83 0.00 0.00 -3.07 0.00 0.00 36.82 36.93 1mux h ILE 125 CO 0.15 0.38 -0.31 -0.09 -0.69 0.00 0.00 178.15 177.59 1mux h ARG 126 N 0.00 0.35 0.00 2.37 9.65 -1.34 -0.92 114.38 124.48 1mux h ARG 126 Ca -0.00 -0.27 -0.10 0.00 -1.10 0.00 0.00 59.98 58.51 1mux h ARG 126 Cb 0.80 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 1mux h ARG 126 CO 0.05 0.90 -0.46 0.93 2.80 0.00 0.00 179.97 184.19 1mux h GLU 127 N -0.13 0.00 0.00 0.20 5.08 -1.43 -2.92 114.58 115.37 1mux h GLU 127 Ca -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1mux h GLU 127 Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1mux h GLU 127 CO 0.06 0.46 -0.63 0.00 -1.00 0.00 0.00 179.01 177.90 1mux h ALA 128 N 1.54 0.67 -1.20 3.43 0.00 -1.33 -3.39 119.26 118.98 1mux h ALA 128 Ca -0.00 -0.49 -0.73 0.00 0.00 0.00 0.00 54.91 53.68 1mux h ALA 128 Cb 0.88 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.50 1mux h ALA 128 CO 0.06 0.65 1.83 -3.47 0.00 0.00 0.00 179.25 178.32 1mux n ASP 129 N -3.17 5.02 -0.13 0.00 -0.08 -0.35 -4.64 116.55 113.20 1mux n ASP 129 Ca 0.00 -2.98 -0.14 0.00 -1.51 0.00 0.00 54.79 50.16 1mux n ASP 129 Cb 0.74 -1.60 -0.10 0.00 2.34 0.00 0.00 41.12 42.51 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 4.59 0.00 0.00 5.18 2.04 -1.79 0.15 117.51 127.68 1mux h ILE 130 Ca 0.38 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.20 1mux h ILE 130 Cb 0.80 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1mux h ILE 130 CO 1.43 0.00 -0.22 -2.24 0.00 0.00 0.00 178.15 177.12 1mux h ASP 131 N -0.40 0.00 -4.74 1.72 3.04 -1.95 -3.47 116.42 110.62 1mux h ASP 131 Ca 0.07 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.79 1mux h ASP 131 Cb 0.59 0.00 0.06 0.00 -1.04 0.00 0.00 39.33 38.93 1mux h ASP 131 CO -0.58 0.22 -0.24 0.61 -2.04 0.00 0.00 179.24 177.21 1mux n GLY 132 N -0.57 -0.84 0.07 7.15 0.00 0.51 -4.98 105.19 106.54 1mux n GLY 132 Ca -0.02 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 1mux n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mux n ASP 133 N -2.02 2.35 0.00 1.61 5.68 -1.26 -5.02 116.55 117.89 1mux n ASP 133 Ca -0.02 -0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1mux n ASP 133 Cb 0.53 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 134 N 2.49 1.06 3.18 6.12 0.00 -1.26 -5.15 105.19 111.63 1mux n GLY 134 Ca -0.25 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 1.02 0.21 1.61 0.00 -1.26 -4.92 119.66 116.32 1mux s GLN 135 Ca 0.00 -1.49 -0.15 0.00 -0.00 0.00 0.00 55.36 53.72 1mux s GLN 135 Cb 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 33.01 33.19 1mux s GLN 135 CO 0.00 -0.31 0.62 0.08 0.00 0.00 0.00 175.29 175.68 1mux s VAL 136 N -4.08 4.76 0.41 3.63 1.01 -1.07 -4.84 120.40 120.23 1mux s VAL 136 Ca 0.28 0.91 0.08 0.00 0.00 0.00 0.00 61.98 63.25 1mux s VAL 136 Cb 0.07 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1mux s VAL 136 CO 0.05 0.12 0.30 0.21 0.00 0.00 0.00 175.10 175.78 1mux s ASN 137 N -1.88 4.82 0.11 3.32 2.47 -1.26 -2.29 114.94 120.22 1mux s ASN 137 Ca 0.43 -0.87 -0.20 0.00 0.42 0.00 0.00 52.86 52.65 1mux s ASN 137 Cb -0.14 -0.54 -0.08 0.00 -1.45 0.00 0.00 41.25 39.04 1mux s ASN 137 CO 0.20 -0.61 1.70 0.22 -3.72 0.00 0.00 177.10 174.89 1mux h TYR 138 N 1.18 0.27 -0.86 0.43 5.03 -1.99 -0.54 116.97 120.49 1mux h TYR 138 Ca -0.42 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 60.89 1mux h TYR 138 Cb 1.26 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 39.41 1mux h TYR 138 CO 0.56 0.25 0.57 1.49 -1.32 0.00 0.00 178.16 179.71 1mux h GLU 139 N 0.21 1.13 0.00 1.82 4.81 -1.98 -1.05 114.58 119.52 1mux h GLU 139 Ca 0.07 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1mux h GLU 139 Cb 0.07 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1mux h GLU 139 CO -0.01 0.75 -0.22 0.93 -0.73 0.00 0.00 179.01 179.73 1mux h GLU 140 N 1.16 0.00 0.00 1.92 5.08 -1.80 -2.59 114.58 118.35 1mux h GLU 140 Ca 0.32 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.58 1mux h GLU 140 Cb -0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1mux h GLU 140 CO -0.07 0.22 -0.46 0.35 -1.00 0.00 0.00 179.01 178.05 1mux h PHE 141 N 0.00 0.00 0.00 4.33 3.04 0.18 -2.42 116.94 122.07 1mux h PHE 141 Ca -0.00 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 1mux h PHE 141 Cb 0.64 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 1mux h PHE 141 CO 0.00 0.46 -0.37 0.28 -2.02 0.00 0.00 178.31 176.66 1mux h VAL 142 N 0.00 0.57 0.02 1.41 2.07 -0.98 -2.56 116.25 116.79 1mux h VAL 142 Ca -0.00 -1.82 -0.30 0.00 0.82 0.00 0.00 66.70 65.40 1mux h VAL 142 Cb 1.23 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 33.23 1mux h VAL 142 CO 0.06 0.33 -1.69 1.56 0.02 0.00 0.00 177.57 177.85 1mux h GLN 143 N 0.00 0.05 0.00 1.57 7.50 -1.46 -3.34 115.11 119.43 1mux h GLN 143 Ca -0.01 -0.09 -0.06 0.00 0.50 0.00 0.00 58.65 59.00 1mux h GLN 143 Cb 1.26 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.82 1mux h GLN 143 CO 0.04 0.67 -0.50 0.00 -1.50 0.00 0.00 178.83 177.54 1mux h MET 144 N 0.01 0.00 0.00 1.46 -0.00 -1.51 -3.26 114.93 111.63 1mux h MET 144 Ca -0.28 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.30 1mux h MET 144 Cb 2.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.58 1mux h MET 144 CO 0.09 0.22 -0.57 1.98 -0.00 0.00 0.00 176.91 178.62 1mux h MET 145 N 0.00 0.00 -1.87 -0.10 -1.53 -1.59 -3.27 114.93 106.58 1mux h MET 145 Ca -0.02 0.00 -0.61 0.00 -3.44 0.00 0.00 59.70 55.63 1mux h MET 145 Cb 1.21 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.86 1mux h MET 145 CO 0.03 0.57 -0.49 0.25 0.14 0.00 0.00 176.91 177.41 1mux n THR 146 N -3.85 2.90 -2.86 -0.77 -2.24 -1.23 -5.05 114.28 101.17 1mux n THR 146 Ca -0.01 -5.19 -0.20 0.00 -2.27 0.00 0.00 64.05 56.38 1mux n THR 146 Cb 0.58 -1.33 0.09 0.00 -2.10 0.00 0.00 70.33 67.57 1mux n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mux n ALA 147 N -0.38 0.80 1.64 6.98 0.00 -1.23 -5.00 120.51 123.32 1mux n ALA 147 Ca 0.37 -2.00 0.15 0.00 0.00 0.00 0.00 53.44 51.96 1mux n ALA 147 Cb 0.51 0.46 0.64 0.00 0.00 0.00 0.00 19.45 21.07 1mux n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67