#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mux n ASP 2 N 0.00 0.65 -0.08 0.00 5.68 -1.26 -4.95 116.55 116.58 1mux n ASP 2 Ca 0.00 -3.05 -0.07 0.00 -0.50 0.00 0.00 54.79 51.17 1mux n ASP 2 Cb 0.00 -0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 39.48 1mux n ASP 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mux n GLN 3 N 0.29 0.46 0.00 0.11 6.02 -1.26 -5.07 117.38 117.93 1mux n GLN 3 Ca 0.24 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1mux n GLN 3 Cb 0.66 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.51 1mux n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1mux n LEU 4 N -4.30 0.00 -4.82 1.08 4.77 -1.26 -5.16 117.00 107.32 1mux n LEU 4 Ca -0.11 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.65 1mux n LEU 4 Cb 0.41 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1mux n LEU 4 CO 0.16 0.00 -0.09 -0.89 -1.33 0.00 0.00 177.39 175.24 1mux s THR 5 N 3.92 2.93 -0.39 -5.08 2.01 -1.26 -4.98 115.64 112.78 1mux s THR 5 Ca 0.00 -1.49 0.21 0.00 0.31 0.00 0.00 61.69 60.72 1mux s THR 5 Cb 0.00 -3.04 0.21 0.00 0.01 0.00 0.00 72.50 69.68 1mux s THR 5 CO 0.00 -0.09 1.64 -1.84 -0.69 0.00 0.00 174.62 173.64 1mux n GLU 6 N -1.36 0.15 0.22 4.92 0.28 -1.26 -1.94 120.64 121.65 1mux n GLU 6 Ca -0.00 0.52 0.07 0.00 -0.16 0.00 0.00 57.16 57.59 1mux n GLU 6 Cb 0.61 -1.88 0.52 0.00 1.43 0.00 0.00 31.44 32.13 1mux n GLU 6 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1mux h GLU 7 N 0.00 0.00 -0.17 3.44 4.81 -1.99 -2.27 114.58 118.40 1mux h GLU 7 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1mux h GLU 7 Cb 0.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1mux h GLU 7 CO 0.00 0.24 -0.25 1.96 -0.73 0.00 0.00 179.01 180.23 1mux h GLN 8 N 0.00 0.46 -0.15 1.92 1.08 -1.79 -1.75 115.11 114.87 1mux h GLN 8 Ca -0.00 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1mux h GLN 8 Cb 0.49 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 1mux h GLN 8 CO 0.03 0.86 0.06 0.82 -0.95 0.00 0.00 178.83 179.66 1mux h ILE 9 N 0.10 1.15 -0.18 2.54 2.04 -1.64 -2.29 117.51 119.23 1mux h ILE 9 Ca 0.02 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1mux h ILE 9 Cb 0.82 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1mux h ILE 9 CO 0.06 0.14 0.09 0.00 0.00 0.00 0.00 178.15 178.43 1mux h ALA 10 N 0.91 1.82 0.16 1.87 0.00 -1.44 -2.45 119.26 120.13 1mux h ALA 10 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1mux h ALA 10 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1mux h ALA 10 CO -0.00 0.15 -0.08 1.49 0.00 0.00 0.00 179.25 180.81 1mux h GLU 11 N 0.24 -0.21 -0.45 0.00 4.81 -0.77 -1.56 114.58 116.64 1mux h GLU 11 Ca 0.06 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1mux h GLU 11 Cb 0.03 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 1mux h GLU 11 CO -0.01 0.01 0.18 0.74 -0.73 0.00 0.00 179.01 179.20 1mux h PHE 12 N -0.40 0.32 0.00 0.92 -1.00 -1.07 -0.32 116.94 115.39 1mux h PHE 12 Ca -0.02 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1mux h PHE 12 Cb 0.32 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 1mux h PHE 12 CO -0.01 0.13 -0.07 0.87 -1.61 0.00 0.00 178.31 177.62 1mux h LYS 13 N 0.37 0.00 0.19 1.51 1.57 -1.34 -2.41 116.57 116.45 1mux h LYS 13 Ca 0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1mux h LYS 13 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1mux h LYS 13 CO -0.19 0.07 -0.09 1.49 -0.57 0.00 0.00 179.45 180.16 1mux h GLU 14 N 0.00 -0.25 -1.01 3.15 4.81 -0.01 -1.91 114.58 119.36 1mux h GLU 14 Ca -0.00 0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.50 1mux h GLU 14 Cb 0.18 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.49 1mux h GLU 14 CO 0.01 -0.17 0.61 0.00 -0.73 0.00 0.00 179.01 178.74 1mux h ALA 15 N -1.70 1.88 -0.54 2.92 0.00 -1.46 0.22 119.26 120.59 1mux h ALA 15 Ca -0.03 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1mux h ALA 15 Cb 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1mux h ALA 15 CO 0.04 -0.34 0.27 0.35 0.00 0.00 0.00 179.25 179.57 1mux h PHE 16 N 0.55 0.77 0.00 0.00 3.57 -1.46 -0.91 116.94 119.46 1mux h PHE 16 Ca 0.64 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.10 1mux h PHE 16 Cb 1.29 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1mux h PHE 16 CO -0.01 0.59 0.00 0.77 -2.23 0.00 0.00 178.31 177.43 1mux h SER 17 N 0.72 0.00 0.57 0.41 0.02 0.26 -2.11 113.55 113.42 1mux h SER 17 Ca 0.19 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.85 1mux h SER 17 Cb 0.10 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1mux h SER 17 CO -0.03 0.00 -1.57 0.25 -1.14 0.00 0.00 176.83 174.34 1mux h LEU 18 N 0.00 0.05 -0.06 5.07 7.12 -0.47 -3.36 115.31 123.66 1mux h LEU 18 Ca 0.00 -0.10 -0.15 0.00 0.13 0.00 0.00 57.88 57.76 1mux h LEU 18 Cb 0.23 -0.02 0.01 0.00 -0.53 0.00 0.00 40.66 40.35 1mux h LEU 18 CO 0.00 1.09 -0.55 -0.26 -0.13 0.00 0.00 178.44 178.59 1mux h PHE 19 N 0.01 0.66 -2.97 1.25 0.04 -0.62 -3.43 116.94 111.88 1mux h PHE 19 Ca -0.24 -0.32 -0.54 0.00 2.80 0.00 0.00 57.97 59.67 1mux h PHE 19 Cb 1.97 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 40.02 1mux h PHE 19 CO 0.01 1.11 0.78 0.34 -0.60 0.00 0.00 178.31 179.95 1mux s ASP 20 N -6.70 6.90 -0.14 2.17 -1.08 -0.91 -4.78 116.67 112.13 1mux s ASP 20 Ca -0.13 2.06 -0.09 0.00 -0.52 0.00 0.00 52.55 53.88 1mux s ASP 20 Cb 0.05 -2.56 -0.06 0.00 -1.46 0.00 0.00 42.92 38.88 1mux s ASP 20 CO 0.82 -0.67 -0.21 0.29 0.52 0.00 0.00 175.17 175.92 1mux n LYS 21 N 5.16 0.33 0.25 4.34 4.01 -1.26 -4.60 118.16 126.40 1mux n LYS 21 Ca 0.12 0.14 0.13 0.00 -0.51 0.00 0.00 58.31 58.20 1mux n LYS 21 Cb 0.44 -1.06 0.57 0.00 -0.51 0.00 0.00 35.03 34.47 1mux n LYS 21 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 1mux h ASP 22 N -0.58 0.00 -1.69 4.39 3.04 -1.97 -3.47 116.42 116.14 1mux h ASP 22 Ca -0.33 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 1mux h ASP 22 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 1mux h ASP 22 CO -0.20 0.12 0.00 0.61 -2.04 0.00 0.00 179.24 177.73 1mux n GLY 23 N 0.06 0.50 1.42 7.15 0.00 -1.26 -4.98 105.19 108.07 1mux n GLY 23 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.84 4.78 -4.06 1.61 5.68 -1.26 -4.94 116.55 117.52 1mux n ASP 24 Ca 0.00 -2.84 -0.32 0.00 -0.50 0.00 0.00 54.79 51.13 1mux n ASP 24 Cb 0.40 -0.59 -0.00 0.00 -1.14 0.00 0.00 41.12 39.78 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 0.28 -0.43 3.51 6.12 0.00 -1.26 -4.91 105.19 108.49 1mux n GLY 25 Ca 0.24 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.39 0.00 -0.18 2.61 -4.23 -1.26 -4.34 115.64 104.85 1mux s THR 26 Ca 0.60 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1mux s THR 26 Cb -0.32 -1.05 0.03 0.00 1.34 0.00 0.00 72.50 72.51 1mux s THR 26 CO 0.88 0.00 -0.16 -0.63 -0.54 0.00 0.00 174.62 174.17 1mux s ILE 27 N -3.18 1.87 0.57 2.99 1.01 -0.97 -4.81 121.20 118.68 1mux s ILE 27 Ca 0.05 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.83 1mux s ILE 27 Cb -0.01 -1.77 0.07 0.00 0.01 0.00 0.00 42.46 40.76 1mux s ILE 27 CO -0.09 0.41 0.57 0.41 0.00 0.00 0.00 174.94 176.24 1mux n THR 28 N 4.65 0.00 0.37 2.92 -1.04 -1.26 -2.56 114.28 117.37 1mux n THR 28 Ca -0.18 -2.11 0.14 0.00 -2.04 0.00 0.00 64.05 59.86 1mux n THR 28 Cb 0.49 -0.21 0.54 0.00 -1.82 0.00 0.00 70.33 69.32 1mux n THR 28 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1mux h THR 29 N 0.44 0.00 0.05 12.58 1.35 -1.97 -2.50 112.91 122.86 1mux h THR 29 Ca -0.32 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1mux h THR 29 Cb 1.28 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1mux h THR 29 CO 0.49 0.00 -0.02 0.50 -0.25 0.00 0.00 175.52 176.23 1mux h LYS 30 N 0.00 -0.07 -0.92 4.72 3.64 -1.98 -0.80 116.57 121.16 1mux h LYS 30 Ca 0.00 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1mux h LYS 30 Cb 0.49 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.24 1mux h LYS 30 CO 0.00 -0.04 0.54 0.93 -2.27 0.00 0.00 179.45 178.60 1mux h GLU 31 N -0.25 0.79 -0.65 1.90 5.08 -1.92 0.11 114.58 119.65 1mux h GLU 31 Ca -0.01 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1mux h GLU 31 Cb 0.05 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1mux h GLU 31 CO 0.01 0.52 0.19 1.25 -1.00 0.00 0.00 179.01 179.98 1mux h LEU 32 N 0.82 0.94 -0.87 1.33 5.85 -1.56 -2.21 115.31 119.60 1mux h LEU 32 Ca 0.47 -0.17 0.15 0.00 0.84 0.00 0.00 57.88 59.17 1mux h LEU 32 Cb 0.55 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.24 1mux h LEU 32 CO -0.30 0.89 0.45 1.23 -0.34 0.00 0.00 178.44 180.37 1mux h GLY 33 N 1.05 1.43 0.80 3.75 0.00 0.76 -1.01 103.07 109.86 1mux h GLY 33 Ca 0.21 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1mux h GLY 33 CO -0.01 -0.05 -0.22 -0.84 0.00 0.00 0.00 176.54 175.42 1mux h THR 34 N 0.63 1.34 -0.83 4.70 2.02 -1.13 -0.63 112.91 119.00 1mux h THR 34 Ca 0.48 -1.42 0.17 0.00 0.77 0.00 0.00 66.41 66.41 1mux h THR 34 Cb 0.70 1.87 -0.11 0.00 -1.74 0.00 0.00 68.15 68.87 1mux h THR 34 CO -0.37 0.43 0.36 0.58 0.37 0.00 0.00 175.52 176.88 1mux h VAL 35 N 0.10 0.59 0.00 3.16 2.07 -0.68 -0.01 116.25 121.48 1mux h VAL 35 Ca 0.02 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1mux h VAL 35 Cb 0.78 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1mux h VAL 35 CO 0.05 0.08 -0.84 0.24 0.02 0.00 0.00 177.57 177.12 1mux h MET 36 N 0.45 0.00 0.00 1.57 2.86 -1.34 -3.14 114.93 115.33 1mux h MET 36 Ca 0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1mux h MET 36 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1mux h MET 36 CO -0.45 0.27 0.00 -0.09 1.06 0.00 0.00 176.91 177.70 1mux h ARG 37 N 0.00 0.00 0.00 1.72 2.43 0.61 -2.96 114.38 116.18 1mux h ARG 37 Ca -0.06 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1mux h ARG 37 Cb 1.33 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1mux h ARG 37 CO 0.04 0.00 -1.97 0.45 -1.51 0.00 0.00 179.97 176.98 1mux n SER 38 N -2.57 0.65 -3.18 -3.80 2.88 -0.67 -4.16 113.62 102.77 1mux n SER 38 Ca 0.02 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.23 1mux n SER 38 Cb 0.27 1.59 -0.02 0.00 -0.75 0.00 0.00 64.21 65.31 1mux n SER 38 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1mux n LEU 39 N -2.31 5.59 0.00 2.46 7.99 -1.12 -4.77 117.00 124.84 1mux n LEU 39 Ca -0.11 -5.55 0.00 0.00 -0.01 0.00 0.00 56.01 50.34 1mux n LEU 39 Cb 0.67 -0.79 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1mux n LEU 39 CO 0.39 2.23 0.00 0.61 -1.51 0.00 0.00 177.39 179.12 1mux n GLY 40 N -0.19 0.63 3.56 -0.72 0.00 -1.22 -4.90 105.19 102.34 1mux n GLY 40 Ca 0.37 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 1.51 0.10 1.61 7.27 -1.25 -4.46 117.38 122.16 1mux n GLN 41 Ca 0.00 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.39 1mux n GLN 41 Cb 0.00 -3.15 0.00 0.00 2.41 0.00 0.00 30.24 29.50 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 12.74 -1.63 -4.71 1.69 4.13 -1.26 -5.11 115.26 121.11 1mux n ASN 42 Ca 0.35 0.40 -0.29 0.00 1.68 0.00 0.00 54.58 56.71 1mux n ASN 42 Cb 0.44 1.74 0.14 0.00 -1.54 0.00 0.00 39.78 40.56 1mux n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1mux s PRO 43 N -1.46 1.12 0.00 3.52 0.04 -1.26 -5.05 135.00 131.91 1mux s PRO 43 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1mux s PRO 43 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1mux s PRO 43 CO 0.00 -2.31 0.00 2.41 0.04 0.00 0.00 177.00 177.14 1mux n THR 44 N -3.92 0.00 -0.06 1.26 -1.04 -1.26 -4.91 114.28 104.34 1mux n THR 44 Ca 0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.96 1mux n THR 44 Cb 0.56 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.02 1mux n THR 44 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1mux n GLU 45 N 0.00 0.28 0.24 -2.82 2.13 -1.26 -4.26 120.64 114.96 1mux n GLU 45 Ca 0.00 0.10 -0.10 0.00 0.66 0.00 0.00 57.16 57.82 1mux n GLU 45 Cb 0.00 -1.06 -0.05 0.00 0.27 0.00 0.00 31.44 30.60 1mux n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mux h ALA 46 N -0.29 -0.87 -0.98 4.31 0.00 -2.00 -2.17 119.26 117.25 1mux h ALA 46 Ca -0.31 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 54.67 1mux h ALA 46 Cb 1.33 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 19.26 1mux h ALA 46 CO -0.14 -0.83 0.58 0.93 0.00 0.00 0.00 179.25 179.79 1mux h GLU 47 N -0.85 0.65 0.01 0.00 5.08 -1.96 -0.20 114.58 117.31 1mux h GLU 47 Ca -0.07 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1mux h GLU 47 Cb 0.50 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1mux h GLU 47 CO 0.11 0.43 -0.22 1.25 -1.00 0.00 0.00 179.01 179.58 1mux h LEU 48 N 0.67 -0.64 -1.02 1.33 6.46 -1.72 -0.84 115.31 119.54 1mux h LEU 48 Ca 0.59 0.09 0.24 0.00 -0.12 0.00 0.00 57.88 58.68 1mux h LEU 48 Cb 0.99 0.26 -0.12 0.00 -0.73 0.00 0.00 40.66 41.06 1mux h LEU 48 CO -0.42 -0.29 0.60 -0.61 -0.62 0.00 0.00 178.44 177.10 1mux h GLN 49 N -0.35 0.57 -0.56 1.25 5.75 -0.36 0.26 115.11 121.65 1mux h GLN 49 Ca 0.06 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 1mux h GLN 49 Cb 0.43 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.81 1mux h GLN 49 CO -0.19 0.38 0.32 0.22 -2.65 0.00 0.00 178.83 176.90 1mux h ASP 50 N 0.59 0.50 0.21 -0.69 3.58 -0.84 0.45 116.42 120.21 1mux h ASP 50 Ca 0.64 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 58.09 1mux h ASP 50 Cb 1.22 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.18 1mux h ASP 50 CO -0.46 0.34 -0.07 0.24 -2.88 0.00 0.00 179.24 176.41 1mux h MET 51 N 0.62 0.00 0.00 0.28 2.86 -0.18 -1.03 114.93 117.48 1mux h MET 51 Ca 0.24 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1mux h MET 51 Cb 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1mux h MET 51 CO -0.13 0.07 -0.34 0.82 1.06 0.00 0.00 176.91 178.39 1mux h ILE 52 N 0.00 0.58 0.02 -1.22 1.08 -0.35 -3.23 117.51 114.39 1mux h ILE 52 Ca -0.00 -1.82 -0.21 0.00 -0.39 0.00 0.00 64.86 62.44 1mux h ILE 52 Cb 0.19 2.29 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 1mux h ILE 52 CO 0.01 0.33 -1.00 0.78 -0.69 0.00 0.00 178.15 177.58 1mux h ASN 53 N 0.00 0.09 1.11 1.72 2.35 -0.29 -1.66 115.58 118.90 1mux h ASN 53 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1mux h ASN 53 Cb 1.26 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1mux h ASN 53 CO 0.04 1.03 0.00 -1.84 -1.65 0.00 0.00 177.43 175.01 1mux n GLU 54 N -3.44 0.18 -0.06 0.81 -0.00 -1.07 -4.12 120.64 112.94 1mux n GLU 54 Ca -0.02 0.25 -0.07 0.00 -0.00 0.00 0.00 57.16 57.32 1mux n GLU 54 Cb 0.92 -1.75 -0.02 0.00 -0.00 0.00 0.00 31.44 30.58 1mux n GLU 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1mux n VAL 55 N -2.08 1.35 -1.37 3.84 0.31 -1.19 -4.90 118.33 114.28 1mux n VAL 55 Ca 0.05 0.20 -0.53 0.00 -0.01 0.00 0.00 64.34 64.04 1mux n VAL 55 Cb 0.34 -2.17 -0.10 0.00 -0.91 0.00 0.00 33.84 31.00 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 -4.18 1.41 -0.91 4.52 2.03 -0.63 -4.77 116.55 114.03 1mux n ASP 56 Ca -0.11 0.47 0.07 0.00 0.52 0.00 0.00 54.79 55.74 1mux n ASP 56 Cb 0.41 -1.10 0.23 0.00 -0.72 0.00 0.00 41.12 39.94 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 9.18 2.55 -0.02 -1.67 0.00 -1.26 -4.67 120.51 124.62 1mux n ALA 57 Ca 0.49 -1.53 -0.04 0.00 0.00 0.00 0.00 53.44 52.36 1mux n ALA 57 Cb 0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 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 0.43 1.47 0.00 0.00 8.00 -1.26 -5.07 116.55 120.12 1mux n ASP 58 Ca 0.17 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1mux n ASP 58 Cb 0.64 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 2.52 0.37 0.00 0.44 0.00 -1.26 -5.06 105.19 102.20 1mux n GLY 59 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 3.36 0.00 1.61 0.23 -1.26 -5.07 115.26 114.13 1mux n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1mux n ASN 60 Cb 0.00 0.30 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 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 2.31 2.85 3.95 4.83 0.00 -1.26 -5.06 105.19 112.81 1mux n GLY 61 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 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 2.47 0.13 2.61 -4.23 -1.26 -4.84 115.64 110.52 1mux s THR 62 Ca 0.00 -0.48 0.05 0.00 -1.18 0.00 0.00 61.69 60.08 1mux s THR 62 Cb 0.00 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 1mux s THR 62 CO 0.00 0.00 0.04 -0.63 -0.54 0.00 0.00 174.62 173.49 1mux s ILE 63 N -3.00 4.11 0.59 2.99 1.01 -1.06 -4.91 121.20 120.92 1mux s ILE 63 Ca 0.59 -1.09 0.09 0.00 0.00 0.00 0.00 60.65 60.24 1mux s ILE 63 Cb -0.10 -3.02 0.09 0.00 0.01 0.00 0.00 42.46 39.44 1mux s ILE 63 CO 0.41 0.01 0.77 -1.81 0.00 0.00 0.00 174.94 174.33 1mux s ASP 64 N -2.66 4.99 0.07 3.58 1.11 -1.26 -2.30 116.67 120.20 1mux s ASP 64 Ca 0.28 -0.94 -0.16 0.00 0.18 0.00 0.00 52.55 51.90 1mux s ASP 64 Cb -0.11 0.42 -0.16 0.00 1.07 0.00 0.00 42.92 44.14 1mux s ASP 64 CO 0.20 -1.38 1.27 0.15 1.18 0.00 0.00 175.17 176.59 1mux h PHE 65 N 0.19 0.83 0.00 4.23 3.57 -1.99 -2.39 116.94 121.38 1mux h PHE 65 Ca -0.29 -0.35 -0.18 0.00 3.53 0.00 0.00 57.97 60.67 1mux h PHE 65 Cb 1.29 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1mux h PHE 65 CO 0.51 1.14 -0.85 -1.00 -2.23 0.00 0.00 178.31 175.88 1mux h PRO 66 N 0.27 0.02 0.00 6.41 0.13 -1.96 -2.78 132.00 134.09 1mux h PRO 66 Ca -0.03 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1mux h PRO 66 Cb 1.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1mux h PRO 66 CO 0.12 0.86 -0.05 1.49 -0.23 0.00 0.00 178.00 180.19 1mux h GLU 67 N 0.01 0.00 0.01 0.86 4.81 -1.95 -2.11 114.58 116.21 1mux h GLU 67 Ca -0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1mux h GLU 67 Cb 1.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.88 1mux h GLU 67 CO 0.11 0.05 -0.33 0.35 -0.73 0.00 0.00 179.01 178.46 1mux h PHE 68 N 0.00 0.05 0.00 0.92 3.04 -1.27 -2.28 116.94 117.40 1mux h PHE 68 Ca -0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1mux h PHE 68 Cb 0.67 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1mux h PHE 68 CO 0.00 1.13 0.00 1.25 -2.02 0.00 0.00 178.31 178.67 1mux h LEU 69 N -0.94 0.00 0.05 0.59 6.46 -1.50 -2.25 115.31 117.72 1mux h LEU 69 Ca -0.08 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.36 1mux h LEU 69 Cb 1.12 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 1mux h LEU 69 CO -0.03 0.00 -1.81 0.41 -0.62 0.00 0.00 178.44 176.39 1mux n THR 70 N -2.85 1.68 0.16 1.05 -1.04 -0.80 -3.14 114.28 109.34 1mux n THR 70 Ca 0.01 -0.74 0.04 0.00 -2.04 0.00 0.00 64.05 61.31 1mux n THR 70 Cb 0.26 -1.31 0.13 0.00 -1.82 0.00 0.00 70.33 67.58 1mux n THR 70 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mux h MET 71 N 0.03 0.00 0.07 -2.82 -0.00 -1.23 -2.64 114.93 108.35 1mux h MET 71 Ca -0.33 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.08 1mux h MET 71 Cb 2.02 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.60 1mux h MET 71 CO 0.09 0.45 -1.45 0.52 -0.00 0.00 0.00 176.91 176.52 1mux h MET 72 N 0.00 0.15 0.06 -0.10 2.07 -1.55 -3.19 114.93 112.37 1mux h MET 72 Ca -0.00 -0.26 -0.00 0.00 -2.07 0.00 0.00 59.70 57.36 1mux h MET 72 Cb 1.22 0.10 0.00 0.00 -1.87 0.00 0.00 31.60 31.05 1mux h MET 72 CO 0.06 0.98 -0.03 0.00 1.07 0.00 0.00 176.91 178.99 1mux h ALA 73 N 0.69 -0.08 -2.30 6.32 0.00 -1.58 -3.37 119.26 118.92 1mux h ALA 73 Ca -0.20 -0.30 -0.70 0.00 0.00 0.00 0.00 54.91 53.71 1mux h ALA 73 Cb 1.96 0.03 -0.35 0.00 0.00 0.00 0.00 17.79 19.43 1mux h ALA 73 CO 0.14 -0.17 0.01 -2.13 0.00 0.00 0.00 179.25 177.10 1mux n ARG 74 N -4.80 3.20 -1.50 0.00 3.00 -1.00 -5.01 116.66 110.55 1mux n ARG 74 Ca -0.08 -4.58 -0.31 0.00 -0.00 0.00 0.00 57.85 52.88 1mux n ARG 74 Cb 0.31 -2.39 -0.18 0.00 0.00 0.00 0.00 32.46 30.20 1mux n ARG 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1mux n LYS 75 N 1.44 0.06 -1.99 -0.14 4.81 -1.20 -4.74 118.16 116.40 1mux n LYS 75 Ca 0.26 -0.03 -0.41 0.00 -0.87 0.00 0.00 58.31 57.26 1mux n LYS 75 Cb 0.37 -1.43 -0.01 0.00 0.02 0.00 0.00 35.03 33.98 1mux n LYS 75 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1mux s MET 76 N 8.04 4.25 -0.26 1.64 -1.94 -1.26 -4.94 119.30 124.83 1mux s MET 76 Ca 1.31 2.36 0.02 0.00 -1.71 0.00 0.00 55.69 57.67 1mux s MET 76 Cb -0.98 -3.03 -0.17 0.00 2.01 0.00 0.00 34.83 32.66 1mux s MET 76 CO 0.50 -0.33 -0.23 1.17 -0.01 0.00 0.00 175.02 176.12 1mux n LYS 77 N 0.67 0.65 0.04 2.03 4.81 -1.26 -5.02 118.16 120.08 1mux n LYS 77 Ca 0.00 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1mux n LYS 77 Cb 0.41 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.94 1mux n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1mux n ASP 78 N -3.28 -0.76 -4.79 3.14 -0.08 -1.26 -5.14 116.55 104.38 1mux n ASP 78 Ca -0.46 0.41 -0.31 0.00 -1.51 0.00 0.00 54.79 52.92 1mux n ASP 78 Cb 0.99 0.99 -0.06 0.00 2.34 0.00 0.00 41.12 45.37 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 -2.00 4.65 -0.02 5.18 -4.23 -1.26 -5.11 115.64 112.85 1mux s THR 79 Ca 0.00 -0.70 -0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1mux s THR 79 Cb 0.00 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.62 1mux s THR 79 CO 0.00 0.14 0.03 -1.81 -0.54 0.00 0.00 174.62 172.43 1mux s ASP 80 N -2.38 0.05 0.01 3.99 1.01 -1.26 -5.07 116.67 113.03 1mux s ASP 80 Ca 0.30 0.04 0.03 0.00 0.71 0.00 0.00 52.55 53.63 1mux s ASP 80 Cb -0.12 -0.05 -0.01 0.00 1.01 0.00 0.00 42.92 43.75 1mux s ASP 80 CO 0.22 -0.10 -0.11 -0.44 0.21 0.00 0.00 175.17 174.96 1mux s SER 81 N 0.83 1.27 0.47 0.27 0.01 -1.26 -5.01 113.70 110.28 1mux s SER 81 Ca -0.07 -0.30 0.27 0.00 1.31 0.00 0.00 55.95 57.16 1mux s SER 81 Cb -0.10 -0.10 1.33 0.00 0.21 0.00 0.00 66.02 67.36 1mux s SER 81 CO -0.02 0.06 1.79 1.05 0.41 0.00 0.00 173.24 176.53 1mux h GLU 82 N 5.44 0.18 -6.33 12.44 4.11 -2.09 -3.46 114.58 124.88 1mux h GLU 82 Ca -0.34 -0.01 -0.33 0.00 0.07 0.00 0.00 59.36 58.75 1mux h GLU 82 Cb 1.18 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1mux h GLU 82 CO 0.47 0.12 -0.96 0.39 0.07 0.00 0.00 179.01 179.10 1mux n GLU 83 N -4.41 -1.81 0.09 1.06 1.02 -1.26 -4.86 120.64 110.47 1mux n GLU 83 Ca 0.25 1.31 -0.05 0.00 -0.02 0.00 0.00 57.16 58.65 1mux n GLU 83 Cb 1.05 -3.00 0.10 0.00 -0.02 0.00 0.00 31.44 29.57 1mux n GLU 83 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1mux h GLU 84 N 1.13 0.19 -0.73 3.49 4.11 -2.02 -3.14 114.58 117.61 1mux h GLU 84 Ca -0.46 -0.15 0.11 0.00 0.07 0.00 0.00 59.36 58.93 1mux h GLU 84 Cb 1.31 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.51 1mux h GLU 84 CO 0.28 0.79 0.33 0.82 0.07 0.00 0.00 179.01 181.31 1mux h ILE 85 N 0.14 0.77 -0.47 -1.06 2.04 -2.00 -1.39 117.51 115.53 1mux h ILE 85 Ca -0.01 -0.19 0.09 0.00 1.00 0.00 0.00 64.86 65.75 1mux h ILE 85 Cb 1.20 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 37.38 1mux h ILE 85 CO 0.10 0.10 -0.09 -0.09 0.00 0.00 0.00 178.15 178.17 1mux h ARG 86 N 0.54 0.03 -0.87 2.37 2.43 -1.90 0.09 114.38 117.06 1mux h ARG 86 Ca 0.38 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.65 1mux h ARG 86 Cb 0.47 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.93 1mux h ARG 86 CO -0.32 0.02 0.50 0.93 -1.51 0.00 0.00 179.97 179.59 1mux h GLU 87 N 0.03 0.78 0.57 0.20 3.07 -1.38 -2.25 114.58 115.60 1mux h GLU 87 Ca 0.23 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.01 1mux h GLU 87 Cb 0.35 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1mux h GLU 87 CO -0.46 0.52 -0.28 0.00 -1.40 0.00 0.00 179.01 177.39 1mux h ALA 88 N 1.50 -1.14 -1.13 3.43 0.00 -0.75 -2.44 119.26 118.73 1mux h ALA 88 Ca 0.44 -0.17 0.33 0.00 0.00 0.00 0.00 54.91 55.50 1mux h ALA 88 Cb 0.45 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1mux h ALA 88 CO -0.27 -1.08 0.97 0.35 0.00 0.00 0.00 179.25 179.21 1mux h PHE 89 N -0.81 0.00 0.05 0.00 3.04 -1.17 0.25 116.94 118.30 1mux h PHE 89 Ca -0.08 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 1mux h PHE 89 Cb 0.59 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1mux h PHE 89 CO 0.08 0.00 -0.02 -0.09 -2.02 0.00 0.00 178.31 176.26 1mux h ARG 90 N 0.00 -0.07 0.00 1.11 2.43 -0.93 0.37 114.38 117.29 1mux h ARG 90 Ca 0.54 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 1mux h ARG 90 Cb 2.47 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 32.03 1mux h ARG 90 CO -0.01 0.26 0.00 -0.39 -1.51 0.00 0.00 179.97 178.33 1mux h VAL 91 N -0.40 0.00 -0.00 0.20 -1.51 -0.33 -1.02 116.25 113.19 1mux h VAL 91 Ca -0.01 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1mux h VAL 91 Cb 0.36 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1mux h VAL 91 CO 0.01 0.00 -0.61 0.49 -1.23 0.00 0.00 177.57 176.23 1mux n PHE 92 N -2.83 0.00 -2.68 5.19 3.72 -0.62 -4.33 117.46 115.91 1mux n PHE 92 Ca 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.43 1mux n PHE 92 Cb 0.28 -0.12 0.04 0.00 -0.94 0.00 0.00 39.48 38.74 1mux n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1mux n ASP 93 N -1.15 1.25 -0.54 4.37 2.03 0.09 -4.63 116.55 117.98 1mux n ASP 93 Ca 0.07 -2.01 0.04 0.00 0.52 0.00 0.00 54.79 53.40 1mux n ASP 93 Cb 0.35 -0.38 0.12 0.00 -0.72 0.00 0.00 41.12 40.50 1mux n ASP 93 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1mux n LYS 94 N -0.13 1.69 0.17 -0.67 -0.00 -0.43 -3.76 118.16 115.03 1mux n LYS 94 Ca 0.06 -0.98 0.12 0.00 -0.00 0.00 0.00 58.31 57.50 1mux n LYS 94 Cb 0.95 -1.25 0.13 0.00 -0.00 0.00 0.00 35.03 34.85 1mux n LYS 94 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1mux h ASP 95 N 1.57 0.00 0.00 -5.58 3.04 -1.88 -3.47 116.42 110.09 1mux h ASP 95 Ca 0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 1mux h ASP 95 Cb 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.70 1mux h ASP 95 CO 0.01 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.83 1mux n GLY 96 N 1.14 1.94 0.00 7.15 0.00 -1.25 -5.06 105.19 109.12 1mux n GLY 96 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1mux n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mux n ASN 97 N 0.00 0.00 0.00 1.61 2.85 -1.26 -5.05 115.26 113.41 1mux n ASN 97 Ca 0.00 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1mux n ASN 97 Cb 0.00 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 40.64 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mux n GLY 98 N 1.78 0.97 3.02 8.20 0.00 -1.26 -5.12 105.19 112.77 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 -0.42 0.40 -0.20 1.61 2.02 -1.26 -4.73 117.35 114.77 1mux s TYR 99 Ca 0.00 -0.63 -0.28 0.00 -0.37 0.00 0.00 57.07 55.79 1mux s TYR 99 Cb 0.00 -0.27 -0.00 0.00 -0.40 0.00 0.00 41.96 41.29 1mux s TYR 99 CO 0.00 -0.20 0.96 0.42 -1.57 0.00 0.00 175.55 175.16 1mux s ILE 100 N -1.94 4.76 0.51 2.71 1.01 -0.79 -4.85 121.20 122.60 1mux s ILE 100 Ca -0.10 1.89 0.05 0.00 0.00 0.00 0.00 60.65 62.49 1mux s ILE 100 Cb -0.06 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.17 1mux s ILE 100 CO -0.02 -0.09 0.31 -0.44 0.00 0.00 0.00 174.94 174.70 1mux s SER 101 N 1.19 4.57 0.00 3.58 0.01 -1.26 -2.53 113.70 119.26 1mux s SER 101 Ca 0.42 -1.23 -0.25 0.00 1.31 0.00 0.00 55.95 56.21 1mux s SER 101 Cb -0.16 0.19 -0.16 0.00 0.21 0.00 0.00 66.02 66.10 1mux s SER 101 CO 0.10 -0.94 1.15 0.00 0.41 0.00 0.00 173.24 173.96 1mux h ALA 102 N 0.97 -0.55 -0.30 1.44 0.00 -1.92 -2.18 119.26 116.72 1mux h ALA 102 Ca -0.39 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.40 1mux h ALA 102 Cb 1.29 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 19.21 1mux h ALA 102 CO 0.62 -0.63 -0.30 0.00 0.00 0.00 0.00 179.25 178.94 1mux h ALA 103 N -0.53 -0.20 -0.76 0.00 0.00 -1.97 -0.43 119.26 115.37 1mux h ALA 103 Ca -0.06 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1mux h ALA 103 Cb 0.55 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1mux h ALA 103 CO 0.09 -0.72 0.37 0.93 0.00 0.00 0.00 179.25 179.92 1mux h GLU 104 N -0.28 0.57 -0.82 0.00 5.08 -1.90 -0.33 114.58 116.90 1mux h GLU 104 Ca 0.15 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1mux h GLU 104 Cb 0.52 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1mux h GLU 104 CO -0.46 0.38 0.54 1.25 -1.00 0.00 0.00 179.01 179.72 1mux h LEU 105 N 0.58 0.89 -1.13 1.33 6.46 -0.44 -0.81 115.31 122.19 1mux h LEU 105 Ca 0.39 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 58.05 1mux h LEU 105 Cb 0.48 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1mux h LEU 105 CO -0.32 0.62 -0.40 -0.09 -0.62 0.00 0.00 178.44 177.63 1mux h ARG 106 N 1.04 0.00 0.00 1.25 1.12 -0.10 -2.22 114.38 115.46 1mux h ARG 106 Ca 0.32 0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 59.08 1mux h ARG 106 Cb -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 1mux h ARG 106 CO -0.09 0.40 -0.55 0.45 -3.11 0.00 0.00 179.97 177.08 1mux h HIS 107 N 0.00 0.00 0.00 2.20 3.86 -0.44 -2.95 115.15 117.82 1mux h HIS 107 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1mux h HIS 107 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1mux h HIS 107 CO 0.00 0.55 -0.00 0.28 0.86 0.00 0.00 177.93 179.61 1mux h VAL 108 N 0.00 1.74 -0.82 2.45 2.07 -1.05 -3.32 116.25 117.31 1mux h VAL 108 Ca -0.01 -2.24 0.17 0.00 0.82 0.00 0.00 66.70 65.45 1mux h VAL 108 Cb 1.00 3.25 -0.11 0.00 -1.52 0.00 0.00 31.29 33.91 1mux h VAL 108 CO 0.07 0.58 0.33 0.24 0.02 0.00 0.00 177.57 178.81 1mux h MET 109 N -0.97 0.41 -0.82 1.57 2.07 -1.46 0.92 114.93 116.66 1mux h MET 109 Ca -0.00 -0.02 0.16 0.00 -2.07 0.00 0.00 59.70 57.77 1mux h MET 109 Cb 0.95 -0.09 -0.10 0.00 -1.87 0.00 0.00 31.60 30.48 1mux h MET 109 CO 0.00 0.27 0.36 1.79 1.07 0.00 0.00 176.91 180.41 1mux h THR 110 N 0.43 0.63 -0.90 2.22 1.35 -1.62 0.78 112.91 115.80 1mux h THR 110 Ca 0.47 -0.17 0.04 0.00 -0.55 0.00 0.00 66.41 66.21 1mux h THR 110 Cb 0.80 0.10 -0.05 0.00 -1.73 0.00 0.00 68.15 67.26 1mux h THR 110 CO -0.46 0.09 0.58 0.78 -0.25 0.00 0.00 175.52 176.25 1mux h ASN 111 N 0.48 0.95 0.32 5.36 4.21 -0.91 -2.85 115.58 123.14 1mux h ASN 111 Ca 0.47 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.96 1mux h ASN 111 Cb 0.75 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1mux h ASN 111 CO -0.43 0.65 -0.15 -0.07 -1.29 0.00 0.00 177.43 176.14 1mux h LEU 112 N 1.11 -0.37 0.00 1.61 3.38 -0.75 -3.47 115.31 116.82 1mux h LEU 112 Ca 0.36 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1mux h LEU 112 Cb 0.03 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1mux h LEU 112 CO -0.13 -0.18 0.00 0.61 0.09 0.00 0.00 178.44 178.84 1mux n GLY 113 N -0.99 0.62 1.97 0.83 0.00 -0.89 -5.14 105.19 101.58 1mux n GLY 113 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 1.11 -3.27 1.61 -0.58 -1.24 -5.07 120.64 113.19 1mux n GLU 114 Ca 0.00 -1.81 -0.22 0.00 -0.42 0.00 0.00 57.16 54.71 1mux n GLU 114 Cb 0.00 0.24 -0.08 0.00 -0.57 0.00 0.00 31.44 31.03 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 -3.14 0.90 0.27 3.49 2.20 -1.26 -4.80 119.74 117.40 1mux s LYS 115 Ca 0.14 -1.80 0.08 0.00 -0.36 0.00 0.00 55.97 54.03 1mux s LYS 115 Cb -0.01 -1.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.16 1mux s LYS 115 CO 0.09 -1.36 0.16 -0.51 -0.36 0.00 0.00 175.35 173.37 1mux s LEU 116 N 0.35 3.60 0.00 5.43 1.02 -1.26 -5.14 118.68 122.68 1mux s LEU 116 Ca 0.31 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 54.04 1mux s LEU 116 Cb 0.01 -2.14 0.00 0.00 0.02 0.00 0.00 46.19 44.08 1mux s LEU 116 CO -0.15 -0.09 0.00 1.07 0.02 0.00 0.00 176.35 177.20 1mux n THR 117 N -1.14 0.00 0.05 5.49 5.66 -1.26 -5.03 114.28 118.05 1mux n THR 117 Ca -0.06 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.73 1mux n THR 117 Cb 0.59 -1.07 -0.15 0.00 -1.55 0.00 0.00 70.33 68.15 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 0.00 0.49 -0.23 1.09 5.19 -2.01 -3.32 116.42 117.63 1mux h ASP 118 Ca 0.00 -0.93 0.06 0.00 -0.62 0.00 0.00 57.03 55.54 1mux h ASP 118 Cb 0.00 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 39.28 1mux h ASP 118 CO 0.00 1.46 -0.30 -0.33 -3.12 0.00 0.00 179.24 176.95 1mux h GLU 119 N -0.31 -0.30 -0.10 3.56 4.39 -2.00 -2.05 114.58 117.76 1mux h GLU 119 Ca -0.18 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.56 1mux h GLU 119 Cb 1.72 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 30.38 1mux h GLU 119 CO 0.15 -0.20 -0.44 0.93 -1.16 0.00 0.00 179.01 178.29 1mux h GLU 120 N -0.32 -0.46 -1.02 2.33 4.39 -1.97 -0.48 114.58 117.05 1mux h GLU 120 Ca 0.13 0.03 0.27 0.00 0.34 0.00 0.00 59.36 60.13 1mux h GLU 120 Cb 0.52 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 29.15 1mux h GLU 120 CO -0.41 -0.31 0.61 0.28 -1.16 0.00 0.00 179.01 178.02 1mux h VAL 121 N -0.48 0.48 -0.38 3.13 2.07 -1.59 0.93 116.25 120.41 1mux h VAL 121 Ca 0.02 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.42 1mux h VAL 121 Cb 0.56 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1mux h VAL 121 CO -0.35 0.09 0.13 -0.78 0.02 0.00 0.00 177.57 176.68 1mux h ASP 122 N 0.49 0.13 0.46 0.57 3.58 -0.38 -0.71 116.42 120.57 1mux h ASP 122 Ca 0.66 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 58.11 1mux h ASP 122 Cb 1.40 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.48 1mux h ASP 122 CO -0.46 0.11 -0.18 -0.08 -2.88 0.00 0.00 179.24 175.75 1mux h GLU 123 N 0.28 0.00 0.35 0.28 4.81 -0.47 -2.61 114.58 117.23 1mux h GLU 123 Ca 0.18 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1mux h GLU 123 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1mux h GLU 123 CO -0.18 0.18 -0.17 0.52 -0.73 0.00 0.00 179.01 178.63 1mux h MET 124 N 0.00 -0.45 -0.37 1.92 2.86 -0.52 -1.40 114.93 116.97 1mux h MET 124 Ca -0.00 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1mux h MET 124 Cb 0.46 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1mux h MET 124 CO 0.02 -0.15 0.26 0.82 1.06 0.00 0.00 176.91 178.92 1mux h ILE 125 N -0.98 0.90 0.01 -1.22 1.08 -1.33 -1.11 117.51 114.86 1mux h ILE 125 Ca -0.05 -0.06 -0.21 0.00 -0.39 0.00 0.00 64.86 64.16 1mux h ILE 125 Cb 0.51 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1mux h ILE 125 CO 0.08 0.03 -0.92 -0.09 -0.69 0.00 0.00 178.15 176.56 1mux h ARG 126 N 0.16 0.20 -0.12 2.37 2.43 -1.44 -2.12 114.38 115.86 1mux h ARG 126 Ca 0.17 -0.23 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 1mux h ARG 126 Cb 0.46 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1mux h ARG 126 CO -0.02 0.99 -0.47 0.93 -1.51 0.00 0.00 179.97 179.88 1mux h GLU 127 N 0.10 0.30 0.16 0.20 5.08 -0.06 -3.22 114.58 117.15 1mux h GLU 127 Ca -0.05 -0.16 -0.22 0.00 -1.00 0.00 0.00 59.36 57.92 1mux h GLU 127 Cb 1.57 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.85 1mux h GLU 127 CO 0.14 0.71 -0.97 0.00 -1.00 0.00 0.00 179.01 177.90 1mux h ALA 128 N 1.26 -0.10 -1.40 3.43 0.00 -1.41 -3.42 119.26 117.62 1mux h ALA 128 Ca 0.01 -0.73 -0.39 0.00 0.00 0.00 0.00 54.91 53.81 1mux h ALA 128 Cb 0.92 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1mux h ALA 128 CO 0.08 0.45 1.37 0.34 0.00 0.00 0.00 179.25 181.49 1mux s ASP 129 N -7.12 4.34 0.23 0.00 2.15 -0.80 -4.68 116.67 110.79 1mux s ASP 129 Ca -0.12 0.90 -0.07 0.00 0.43 0.00 0.00 52.55 53.69 1mux s ASP 129 Cb 0.02 -2.51 0.32 0.00 -0.30 0.00 0.00 42.92 40.45 1mux s ASP 129 CO 0.86 -3.05 1.82 0.40 -0.17 0.00 0.00 175.17 175.02 1mux h ILE 130 N 7.69 0.96 0.00 4.11 2.04 -1.84 -0.08 117.51 130.40 1mux h ILE 130 Ca -0.20 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1mux h ILE 130 Cb 1.22 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1mux h ILE 130 CO 1.14 0.14 0.00 -2.24 0.00 0.00 0.00 178.15 177.19 1mux h ASP 131 N 0.78 0.00 -5.87 1.72 2.03 -1.94 -3.47 116.42 109.67 1mux h ASP 131 Ca 0.35 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 56.29 1mux h ASP 131 Cb 0.25 0.00 0.12 0.00 -0.83 0.00 0.00 39.33 38.87 1mux h ASP 131 CO -0.21 0.00 -0.86 0.61 -1.03 0.00 0.00 179.24 177.76 1mux n GLY 132 N 0.84 -0.72 0.05 7.15 0.00 -0.04 -4.91 105.19 107.56 1mux n GLY 132 Ca 0.04 0.33 0.07 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.03 0.21 0.00 1.61 5.68 -1.26 -4.96 116.55 114.80 1mux n ASP 133 Ca -0.18 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1mux n ASP 133 Cb 0.64 1.46 0.00 0.00 -1.14 0.00 0.00 41.12 42.08 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 1.32 -0.05 3.38 6.12 0.00 -1.26 -5.13 105.19 109.57 1mux n GLY 134 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 0.89 -0.08 1.61 1.03 -1.26 -4.94 119.66 116.92 1mux s GLN 135 Ca 0.00 -0.03 -0.05 0.00 0.04 0.00 0.00 55.36 55.32 1mux s GLN 135 Cb 0.00 0.41 -0.04 0.00 0.03 0.00 0.00 33.01 33.41 1mux s GLN 135 CO 0.00 -0.28 0.15 0.08 -2.54 0.00 0.00 175.29 172.70 1mux s VAL 136 N -1.51 5.44 0.00 3.63 1.01 -1.05 -4.75 120.40 123.16 1mux s VAL 136 Ca -0.11 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1mux s VAL 136 Cb -0.02 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1mux s VAL 136 CO 0.05 0.52 0.00 -3.20 0.00 0.00 0.00 175.10 172.47 1mux n ASN 137 N 1.62 1.12 0.05 3.32 5.15 -1.26 -1.89 115.26 123.37 1mux n ASN 137 Ca -0.17 -0.96 -0.07 0.00 -0.60 0.00 0.00 54.58 52.78 1mux n ASN 137 Cb 0.54 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.74 1mux n ASN 137 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1mux h TYR 138 N 0.54 -0.21 -0.05 1.20 3.20 -1.99 -2.53 116.97 117.13 1mux h TYR 138 Ca 0.00 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1mux h TYR 138 Cb 0.00 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1mux h TYR 138 CO 0.00 0.10 -0.15 0.93 -1.64 0.00 0.00 178.16 177.40 1mux h GLU 139 N -0.99 -0.21 -0.42 1.82 4.39 -1.99 -1.83 114.58 115.35 1mux h GLU 139 Ca -0.02 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.74 1mux h GLU 139 Cb 0.40 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1mux h GLU 139 CO 0.04 -0.14 0.18 0.93 -1.16 0.00 0.00 179.01 178.85 1mux h GLU 140 N -0.22 0.35 -0.01 2.33 5.08 -1.93 -0.03 114.58 120.15 1mux h GLU 140 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1mux h GLU 140 Cb 0.31 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1mux h GLU 140 CO -0.18 0.23 0.01 0.35 -1.00 0.00 0.00 179.01 178.42 1mux h PHE 141 N 0.36 0.00 0.00 4.33 3.57 -1.04 0.96 116.94 125.12 1mux h PHE 141 Ca 0.19 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1mux h PHE 141 Cb 0.15 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1mux h PHE 141 CO -0.13 0.00 -0.83 0.28 -2.23 0.00 0.00 178.31 175.40 1mux h VAL 142 N 0.00 0.26 -0.00 1.41 2.07 -0.22 -3.30 116.25 116.47 1mux h VAL 142 Ca 0.00 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1mux h VAL 142 Cb 0.03 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1mux h VAL 142 CO -0.00 0.15 -0.86 0.00 0.02 0.00 0.00 177.57 176.88 1mux n GLN 143 N -2.90 0.20 -0.02 1.57 1.13 -0.37 -3.64 117.38 113.34 1mux n GLN 143 Ca -0.01 -0.16 -0.10 0.00 -1.94 0.00 0.00 57.00 54.79 1mux n GLN 143 Cb 0.65 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 29.36 1mux n GLN 143 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mux n MET 144 N -1.26 0.65 -0.05 -1.09 0.00 0.19 -4.41 117.12 111.15 1mux n MET 144 Ca 0.05 0.28 -0.21 0.00 0.00 0.00 0.00 57.70 57.82 1mux n MET 144 Cb 0.35 -1.77 -0.13 0.00 0.00 0.00 0.00 33.22 31.67 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 0.01 0.13 -6.25 3.17 1.85 -1.75 -3.45 114.93 108.64 1mux h MET 145 Ca -0.31 -0.23 -0.56 0.00 -0.61 0.00 0.00 59.70 58.00 1mux h MET 145 Cb 2.03 0.08 -0.03 0.00 0.43 0.00 0.00 31.60 34.11 1mux h MET 145 CO 0.08 1.11 0.83 0.95 -0.40 0.00 0.00 176.91 179.47 1mux s THR 146 N -2.44 4.16 -0.35 -0.77 -4.23 -1.24 -4.92 115.64 105.85 1mux s THR 146 Ca -0.25 1.46 -0.06 0.00 -1.18 0.00 0.00 61.69 61.65 1mux s THR 146 Cb 0.06 -3.94 0.20 0.00 1.34 0.00 0.00 72.50 70.16 1mux s THR 146 CO 0.68 -0.06 1.02 0.00 -0.54 0.00 0.00 174.62 175.72 1mux s ALA 147 N 2.90 -4.21 -2.43 3.99 0.00 -1.26 -4.78 121.76 115.97 1mux s ALA 147 Ca 0.57 0.88 0.29 0.00 0.00 0.00 0.00 51.96 53.70 1mux s ALA 147 Cb -0.25 -2.97 1.18 0.00 0.00 0.00 0.00 23.12 21.08 1mux s ALA 147 CO 0.20 -2.48 1.82 1.63 0.00 0.00 0.00 175.76 176.93