#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 0.00 -3.31 0.00 8.00 -1.26 -5.13 116.55 114.86 1mux n ASP 2 Ca 0.00 -0.98 0.03 0.00 0.71 0.00 0.00 54.79 54.55 1mux n ASP 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1mux n ASP 2 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1mux s GLN 3 N -2.11 0.32 0.00 -1.24 0.74 -1.26 -5.17 119.66 110.94 1mux s GLN 3 Ca 0.00 0.70 0.00 0.00 0.05 0.00 0.00 55.36 56.11 1mux s GLN 3 Cb 0.00 0.41 0.00 0.00 1.10 0.00 0.00 33.01 34.52 1mux s GLN 3 CO 0.00 -0.21 0.00 1.28 -0.55 0.00 0.00 175.29 175.81 1mux n LEU 4 N 5.21 0.00 0.00 3.68 4.77 -1.26 -5.11 117.00 124.29 1mux n LEU 4 Ca -0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 1mux n LEU 4 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1mux n LEU 4 CO -0.05 -0.09 -0.10 0.35 -1.33 0.00 0.00 177.39 176.17 1mux n THR 5 N -0.18 0.00 1.03 -5.08 -2.24 -1.26 -5.03 114.28 101.53 1mux n THR 5 Ca 0.00 -2.24 0.14 0.00 -2.27 0.00 0.00 64.05 59.67 1mux n THR 5 Cb 0.00 1.06 0.54 0.00 -2.10 0.00 0.00 70.33 69.82 1mux n THR 5 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1mux n GLU 6 N -0.64 0.05 0.26 -0.78 2.13 -1.26 -4.03 120.64 116.36 1mux n GLU 6 Ca 0.05 -0.01 -0.16 0.00 0.66 0.00 0.00 57.16 57.70 1mux n GLU 6 Cb 0.56 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.69 1mux n GLU 6 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1mux h GLU 7 N 0.02 -0.60 0.08 5.31 4.39 -2.00 -1.99 114.58 119.80 1mux h GLU 7 Ca 0.00 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1mux h GLU 7 Cb 0.49 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1mux h GLU 7 CO 0.00 -0.35 -0.05 0.37 -1.16 0.00 0.00 179.01 177.83 1mux h GLN 8 N -0.72 -0.12 -0.88 2.33 4.15 -2.01 -2.04 115.11 115.82 1mux h GLN 8 Ca -0.06 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.57 1mux h GLN 8 Cb 0.53 0.03 -0.12 0.00 0.21 0.00 0.00 27.48 28.13 1mux h GLN 8 CO 0.10 -0.08 0.40 0.82 -1.93 0.00 0.00 178.83 178.14 1mux h ILE 9 N -0.12 0.53 -0.61 2.39 2.04 -1.71 0.27 117.51 120.30 1mux h ILE 9 Ca -0.01 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1mux h ILE 9 Cb 0.10 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 1mux h ILE 9 CO 0.01 0.08 0.31 0.00 0.00 0.00 0.00 178.15 178.55 1mux h ALA 10 N 1.67 0.78 -0.12 1.87 0.00 -0.79 -1.33 119.26 121.34 1mux h ALA 10 Ca 0.53 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.36 1mux h ALA 10 Cb 0.96 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1mux h ALA 10 CO -0.49 0.32 0.09 1.49 0.00 0.00 0.00 179.25 180.67 1mux h GLU 11 N 0.83 0.00 -0.12 0.00 4.81 0.17 -0.75 114.58 119.52 1mux h GLU 11 Ca 0.21 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.26 1mux h GLU 11 Cb 0.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1mux h GLU 11 CO -0.03 0.00 -0.69 0.74 -0.73 0.00 0.00 179.01 178.30 1mux h PHE 12 N 0.00 0.68 0.00 0.92 0.04 -0.33 -2.62 116.94 115.63 1mux h PHE 12 Ca 0.06 -0.29 -0.08 0.00 2.80 0.00 0.00 57.97 60.46 1mux h PHE 12 Cb 0.25 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1mux h PHE 12 CO 0.00 1.05 -0.37 0.87 -0.60 0.00 0.00 178.31 179.26 1mux h LYS 13 N 0.36 0.00 -0.04 1.51 1.79 -0.73 -2.03 116.57 117.43 1mux h LYS 13 Ca -0.03 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.29 1mux h LYS 13 Cb 1.27 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1mux h LYS 13 CO 0.13 0.37 -0.57 1.49 -1.08 0.00 0.00 179.45 179.78 1mux h GLU 14 N 0.00 0.46 -0.42 3.15 4.22 -1.25 -2.73 114.58 118.01 1mux h GLU 14 Ca -0.00 -0.44 -0.07 0.00 0.08 0.00 0.00 59.36 58.92 1mux h GLU 14 Cb 0.81 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1mux h GLU 14 CO 0.05 1.09 -0.03 0.00 -2.18 0.00 0.00 179.01 177.94 1mux h ALA 15 N 0.39 0.57 -0.61 2.92 0.00 -1.40 -2.00 119.26 119.14 1mux h ALA 15 Ca -0.06 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1mux h ALA 15 Cb 1.26 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1mux h ALA 15 CO 0.12 0.39 0.33 0.35 0.00 0.00 0.00 179.25 180.44 1mux h PHE 16 N 0.60 0.61 -0.42 0.00 3.57 -1.43 -0.80 116.94 119.08 1mux h PHE 16 Ca 0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1mux h PHE 16 Cb 0.53 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1mux h PHE 16 CO 0.04 0.30 0.04 0.66 -2.23 0.00 0.00 178.31 177.12 1mux h SER 17 N 0.63 0.61 -0.41 0.41 4.64 -1.31 -0.76 113.55 117.37 1mux h SER 17 Ca 0.27 -0.12 0.04 0.00 -0.47 0.00 0.00 61.79 61.51 1mux h SER 17 Cb 0.15 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1mux h SER 17 CO -0.16 0.66 0.27 0.25 -0.87 0.00 0.00 176.83 176.98 1mux h LEU 18 N 0.63 0.35 0.00 5.97 6.46 -0.39 -1.25 115.31 127.08 1mux h LEU 18 Ca 0.13 -0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.78 1mux h LEU 18 Cb 0.34 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1mux h LEU 18 CO 0.01 0.24 -1.03 -0.26 -0.62 0.00 0.00 178.44 176.78 1mux h PHE 19 N 0.41 0.00 -3.62 1.25 0.04 -0.81 -3.41 116.94 110.80 1mux h PHE 19 Ca 0.17 0.00 -0.77 0.00 2.80 0.00 0.00 57.97 60.17 1mux h PHE 19 Cb 0.17 0.00 -0.27 0.00 2.20 0.00 0.00 35.95 38.05 1mux h PHE 19 CO -0.00 0.41 -0.04 0.34 -0.60 0.00 0.00 178.31 178.42 1mux s ASP 20 N -5.88 6.43 -0.01 2.17 -1.08 -0.38 -4.39 116.67 113.53 1mux s ASP 20 Ca -0.00 -2.49 0.17 0.00 -0.52 0.00 0.00 52.55 49.71 1mux s ASP 20 Cb 0.08 -2.16 -0.21 0.00 -1.46 0.00 0.00 42.92 39.17 1mux s ASP 20 CO 0.78 -0.62 0.56 0.29 0.52 0.00 0.00 175.17 176.70 1mux n LYS 21 N 4.23 1.12 0.11 4.34 4.01 -1.26 -4.46 118.16 126.25 1mux n LYS 21 Ca 0.06 -0.07 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 1mux n LYS 21 Cb 0.44 -1.33 -0.13 0.00 -0.51 0.00 0.00 35.03 33.51 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 0.00 0.64 -0.04 4.39 2.03 -1.94 -3.49 116.42 118.01 1mux h ASP 22 Ca 0.00 -0.64 0.00 0.00 -0.73 0.00 0.00 57.03 55.66 1mux h ASP 22 Cb 0.55 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1mux h ASP 22 CO 0.00 1.48 0.00 0.61 -1.03 0.00 0.00 179.24 180.30 1mux n GLY 23 N 1.45 0.39 0.00 7.15 0.00 -1.26 -5.07 105.19 107.84 1mux n GLY 23 Ca -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.00 0.00 0.00 1.61 5.75 -1.26 -5.04 116.55 117.61 1mux n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1mux n ASP 24 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1mux n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 25 N -0.48 1.35 3.25 6.12 0.00 -1.26 -5.08 105.19 109.08 1mux n GLY 25 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.09 -0.19 2.61 -4.23 -1.26 -3.00 115.64 107.65 1mux s THR 26 Ca 0.00 -0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1mux s THR 26 Cb 0.00 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 72.87 1mux s THR 26 CO 0.00 -0.39 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.04 1mux s ILE 27 N -2.59 3.80 0.00 2.99 1.01 -0.99 -4.81 121.20 120.62 1mux s ILE 27 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1mux s ILE 27 Cb -0.01 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.75 1mux s ILE 27 CO -0.04 0.44 0.00 0.35 0.00 0.00 0.00 174.94 175.70 1mux n THR 28 N 4.20 0.00 -0.01 2.92 -2.24 -1.26 -2.45 114.28 115.43 1mux n THR 28 Ca -0.17 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1mux n THR 28 Cb 0.52 -0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.07 1mux n THR 28 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mux n THR 29 N 0.00 1.68 0.42 4.28 -2.24 -1.26 -3.14 114.28 114.02 1mux n THR 29 Ca 0.00 -0.74 -0.18 0.00 -2.27 0.00 0.00 64.05 60.86 1mux n THR 29 Cb 0.00 -1.32 -0.09 0.00 -2.10 0.00 0.00 70.33 66.82 1mux n THR 29 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1mux h LYS 30 N 0.03 -1.03 0.46 -0.78 1.57 -1.98 0.25 116.57 115.09 1mux h LYS 30 Ca -0.34 0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1mux h LYS 30 Cb 2.02 0.23 0.00 0.00 0.08 0.00 0.00 32.23 34.57 1mux h LYS 30 CO 0.08 -0.67 -0.22 0.93 -0.57 0.00 0.00 179.45 179.00 1mux h GLU 31 N -1.19 -0.60 -0.01 3.15 5.08 -1.86 -1.18 114.58 117.98 1mux h GLU 31 Ca -0.11 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1mux h GLU 31 Cb 0.83 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1mux h GLU 31 CO 0.18 -0.39 0.14 1.25 -1.00 0.00 0.00 179.01 179.19 1mux h LEU 32 N -0.65 0.00 -0.11 1.33 5.85 -1.58 -0.69 115.31 119.47 1mux h LEU 32 Ca -0.06 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1mux h LEU 32 Cb 0.49 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1mux h LEU 32 CO 0.10 0.00 -0.14 1.23 -0.34 0.00 0.00 178.44 179.29 1mux h GLY 33 N 0.00 0.32 2.00 3.75 0.00 0.76 -2.21 103.07 107.69 1mux h GLY 33 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1mux h GLY 33 CO -0.00 0.31 -0.01 -0.84 0.00 0.00 0.00 176.54 176.00 1mux h THR 34 N -0.12 0.03 0.19 4.70 2.02 -0.80 -1.08 112.91 117.85 1mux h THR 34 Ca 0.01 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1mux h THR 34 Cb 0.69 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1mux h THR 34 CO 0.03 0.01 -0.09 0.58 0.37 0.00 0.00 175.52 176.42 1mux h VAL 35 N 0.00 0.31 0.00 3.16 2.07 -1.16 -1.12 116.25 119.50 1mux h VAL 35 Ca -0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1mux h VAL 35 Cb 0.45 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1mux h VAL 35 CO 0.00 0.09 0.00 0.24 0.02 0.00 0.00 177.57 177.92 1mux h MET 36 N -1.02 0.00 0.00 1.57 2.86 -1.41 -2.11 114.93 114.81 1mux h MET 36 Ca -0.03 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.34 1mux h MET 36 Cb 0.34 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 1mux h MET 36 CO 0.04 0.00 -1.64 -0.09 1.06 0.00 0.00 176.91 176.28 1mux h ARG 37 N 0.00 0.00 0.02 1.72 2.43 -1.28 -3.34 114.38 113.92 1mux h ARG 37 Ca 0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 1mux h ARG 37 Cb 0.61 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1mux h ARG 37 CO 0.00 0.47 -1.20 1.03 -1.51 0.00 0.00 179.97 178.76 1mux h SER 38 N 0.00 0.06 -2.50 -3.80 0.87 -1.10 -3.10 113.55 103.97 1mux h SER 38 Ca -0.26 -0.07 -0.76 0.00 -1.23 0.00 0.00 61.79 59.47 1mux h SER 38 Cb 1.94 -0.02 -0.31 0.00 -0.44 0.00 0.00 62.40 63.58 1mux h SER 38 CO 0.07 1.05 0.58 0.18 -0.53 0.00 0.00 176.83 178.19 1mux n LEU 39 N -3.31 6.31 0.00 2.23 4.77 -0.80 -4.73 117.00 121.47 1mux n LEU 39 Ca -0.05 -5.36 0.00 0.00 -0.03 0.00 0.00 56.01 50.56 1mux n LEU 39 Cb 0.98 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1mux n LEU 39 CO 0.47 1.95 0.00 0.61 -1.33 0.00 0.00 177.39 179.09 1mux n GLY 40 N 0.54 0.73 3.56 -0.72 0.00 -1.26 -4.88 105.19 103.17 1mux n GLY 40 Ca 0.35 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 1mux n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mux s GLN 41 N -1.17 1.84 0.01 1.61 0.74 -1.17 -4.55 119.66 116.96 1mux s GLN 41 Ca 0.00 0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.48 1mux s GLN 41 Cb 0.00 -4.90 -0.01 0.00 1.10 0.00 0.00 33.01 29.20 1mux s GLN 41 CO 0.00 -4.28 -0.03 0.09 -0.55 0.00 0.00 175.29 170.51 1mux n ASN 42 N 17.38 0.45 -2.38 6.67 4.13 -1.26 -5.06 115.26 135.20 1mux n ASN 42 Ca 0.44 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.77 1mux n ASN 42 Cb 0.45 -0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 1mux n ASN 42 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1mux n PRO 43 N -2.93 -0.56 -3.23 3.52 -0.04 -1.26 -5.10 135.00 125.40 1mux n PRO 43 Ca -0.01 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 1mux n PRO 43 Cb 0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.47 1mux n PRO 43 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1mux n THR 44 N -2.21 0.00 0.13 0.52 -2.24 -1.26 -4.93 114.28 104.29 1mux n THR 44 Ca 0.00 -1.33 0.01 0.00 -2.27 0.00 0.00 64.05 60.47 1mux n THR 44 Cb 0.00 0.63 0.34 0.00 -2.10 0.00 0.00 70.33 69.20 1mux n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1mux h GLU 45 N 0.00 0.16 0.14 -0.78 5.08 -1.96 -1.39 114.58 115.83 1mux h GLU 45 Ca -0.14 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1mux h GLU 45 Cb 0.66 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1mux h GLU 45 CO 0.20 0.44 -0.07 0.00 -1.00 0.00 0.00 179.01 178.58 1mux h ALA 46 N 1.57 -0.54 -0.95 3.43 0.00 -2.00 -2.00 119.26 118.77 1mux h ALA 46 Ca 0.02 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.16 1mux h ALA 46 Cb 0.58 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1mux h ALA 46 CO 0.04 -0.52 0.67 1.49 0.00 0.00 0.00 179.25 180.93 1mux h GLU 47 N -0.32 0.08 -0.13 0.00 4.22 -1.97 0.46 114.58 116.92 1mux h GLU 47 Ca -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 1mux h GLU 47 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1mux h GLU 47 CO 0.03 0.05 0.01 1.25 -2.18 0.00 0.00 179.01 178.18 1mux h LEU 48 N 0.08 0.22 -0.65 1.64 6.46 -1.23 -0.42 115.31 121.42 1mux h LEU 48 Ca 0.46 -0.28 0.09 0.00 -0.12 0.00 0.00 57.88 58.03 1mux h LEU 48 Cb 1.70 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 41.50 1mux h LEU 48 CO -0.05 0.45 0.29 -0.61 -0.62 0.00 0.00 178.44 177.89 1mux h GLN 49 N -0.01 0.49 0.00 1.25 5.75 -0.13 0.25 115.11 122.71 1mux h GLN 49 Ca 0.04 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.45 1mux h GLN 49 Cb 0.33 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 1mux h GLN 49 CO 0.00 0.32 -0.29 -0.44 -2.65 0.00 0.00 178.83 175.78 1mux h ASP 50 N 0.50 0.00 1.23 -0.69 5.19 -1.30 -1.59 116.42 119.75 1mux h ASP 50 Ca 0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1mux h ASP 50 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1mux h ASP 50 CO -0.28 0.29 0.00 -0.03 -3.12 0.00 0.00 179.24 176.10 1mux h MET 51 N 0.00 0.00 0.10 3.56 4.05 0.12 -3.21 114.93 119.55 1mux h MET 51 Ca -0.00 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.06 1mux h MET 51 Cb 0.62 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 1mux h MET 51 CO 0.04 0.00 -1.97 -0.89 0.23 0.00 0.00 176.91 174.32 1mux n ILE 52 N -2.33 1.75 -0.03 1.77 5.41 -0.31 -3.72 119.36 121.91 1mux n ILE 52 Ca 0.04 -0.68 0.23 0.00 1.00 0.00 0.00 62.75 63.34 1mux n ILE 52 Cb 0.36 -1.62 0.72 0.00 -0.71 0.00 0.00 39.64 38.39 1mux n ILE 52 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1mux h ASN 53 N 0.06 0.00 0.71 4.38 2.35 -1.45 0.27 115.58 121.90 1mux h ASN 53 Ca -0.41 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.08 1mux h ASN 53 Cb 2.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.40 1mux h ASN 53 CO 0.08 0.00 -1.18 1.05 -1.65 0.00 0.00 177.43 175.73 1mux h GLU 54 N 0.00 0.21 0.23 0.81 4.11 -1.69 -3.37 114.58 114.89 1mux h GLU 54 Ca 0.29 -0.36 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1mux h GLU 54 Cb 1.25 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1mux h GLU 54 CO -0.00 1.17 -0.11 0.28 0.07 0.00 0.00 179.01 180.42 1mux h VAL 55 N 0.06 0.00 -1.36 -1.06 2.07 -0.61 -3.40 116.25 111.95 1mux h VAL 55 Ca -0.11 -0.20 -0.49 0.00 0.82 0.00 0.00 66.70 66.72 1mux h VAL 55 Cb 1.92 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1mux h VAL 55 CO 0.19 0.00 1.63 -0.67 0.02 0.00 0.00 177.57 178.74 1mux n ASP 56 N -3.38 2.08 -3.44 0.57 -0.08 -0.48 -4.83 116.55 106.99 1mux n ASP 56 Ca -0.04 -0.29 -0.39 0.00 -1.51 0.00 0.00 54.79 52.56 1mux n ASP 56 Cb 0.12 -1.46 0.02 0.00 2.34 0.00 0.00 41.12 42.13 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 14.40 5.98 0.00 -1.67 0.00 -1.26 -4.50 120.51 133.46 1mux n ALA 57 Ca 0.41 -4.54 0.00 0.00 0.00 0.00 0.00 53.44 49.31 1mux n ALA 57 Cb 0.44 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.16 0.00 0.00 0.00 8.00 -1.26 -5.08 116.55 118.05 1mux n ASP 58 Ca 0.46 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1mux n ASP 58 Cb 0.28 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 1.23 0.80 1.21 0.44 0.00 -1.26 -5.07 105.19 102.53 1mux n GLY 59 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.37 0.00 1.61 6.94 -1.26 -5.13 115.26 117.80 1mux n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1mux n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 2.36 -0.55 3.96 4.83 0.00 -1.26 -5.13 105.19 109.41 1mux n GLY 61 Ca 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 2.53 0.45 2.61 -4.23 -1.26 -4.90 115.64 110.84 1mux s THR 62 Ca 0.00 -0.56 -0.04 0.00 -1.18 0.00 0.00 61.69 59.91 1mux s THR 62 Cb 0.00 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 1mux s THR 62 CO 0.00 0.00 0.73 -0.63 -0.54 0.00 0.00 174.62 174.18 1mux s ILE 63 N -2.91 4.95 0.40 2.99 1.01 -1.03 -4.92 121.20 121.69 1mux s ILE 63 Ca 0.59 0.07 0.04 0.00 0.00 0.00 0.00 60.65 61.34 1mux s ILE 63 Cb -0.10 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.55 1mux s ILE 63 CO 0.40 -0.77 0.34 -0.67 0.00 0.00 0.00 174.94 174.25 1mux n ASP 64 N -2.10 2.14 -0.04 3.58 2.03 -1.26 -2.35 116.55 118.55 1mux n ASP 64 Ca -0.01 -2.31 -0.15 0.00 0.52 0.00 0.00 54.79 52.84 1mux n ASP 64 Cb 0.55 -0.07 -0.08 0.00 -0.72 0.00 0.00 41.12 40.80 1mux n ASP 64 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1mux h PHE 65 N 0.53 0.68 0.00 -0.67 3.57 -1.95 -2.97 116.94 116.13 1mux h PHE 65 Ca -0.24 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 60.98 1mux h PHE 65 Cb 0.91 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1mux h PHE 65 CO 0.00 1.05 0.00 -1.00 -2.23 0.00 0.00 178.31 176.13 1mux h PRO 66 N 0.12 0.00 0.00 6.41 0.13 -1.96 -2.61 132.00 134.09 1mux h PRO 66 Ca -0.02 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.96 1mux h PRO 66 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1mux h PRO 66 CO 0.09 0.00 -0.72 0.93 -0.23 0.00 0.00 178.00 178.07 1mux h GLU 67 N 0.00 0.00 0.01 0.86 5.08 -1.94 -1.70 114.58 116.89 1mux h GLU 67 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1mux h GLU 67 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1mux h GLU 67 CO 0.00 0.72 -0.16 0.35 -1.00 0.00 0.00 179.01 178.93 1mux h PHE 68 N 0.00 0.14 0.00 4.33 3.04 -1.31 -2.63 116.94 120.51 1mux h PHE 68 Ca -0.01 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1mux h PHE 68 Cb 1.49 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.98 1mux h PHE 68 CO 0.00 0.93 0.00 1.25 -2.02 0.00 0.00 178.31 178.47 1mux h LEU 69 N -0.68 0.00 0.14 0.59 5.85 -1.59 -2.69 115.31 116.94 1mux h LEU 69 Ca -0.02 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.35 1mux h LEU 69 Cb 0.98 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1mux h LEU 69 CO 0.03 0.00 -1.84 0.74 -0.34 0.00 0.00 178.44 177.04 1mux h THR 70 N 0.00 0.81 0.03 1.05 2.02 -1.39 -2.75 112.91 112.68 1mux h THR 70 Ca 0.00 -2.48 -0.21 0.00 0.77 0.00 0.00 66.41 64.49 1mux h THR 70 Cb 0.79 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 69.81 1mux h THR 70 CO 0.00 0.85 -0.98 0.00 0.37 0.00 0.00 175.52 175.76 1mux h MET 71 N 0.08 0.10 -0.00 6.66 -0.00 -1.55 -3.22 114.93 117.00 1mux h MET 71 Ca -0.37 -0.14 0.00 0.00 -0.00 0.00 0.00 59.70 59.19 1mux h MET 71 Cb 2.06 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 33.71 1mux h MET 71 CO 0.13 1.00 -0.47 -1.33 -0.00 0.00 0.00 176.91 176.24 1mux n MET 72 N -3.50 0.07 0.06 -0.10 2.00 -1.01 -4.00 117.12 110.64 1mux n MET 72 Ca -0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 57.70 57.49 1mux n MET 72 Cb 0.90 -1.50 -0.14 0.00 0.00 0.00 0.00 33.22 32.48 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 3.06 0.29 -1.18 3.04 0.00 -1.50 -3.36 119.26 119.61 1mux h ALA 73 Ca 0.00 -1.08 -0.80 0.00 0.00 0.00 0.00 54.91 53.03 1mux h ALA 73 Cb 0.50 0.20 -0.25 0.00 0.00 0.00 0.00 17.79 18.23 1mux h ALA 73 CO 0.00 1.16 1.18 -2.13 0.00 0.00 0.00 179.25 179.46 1mux n ARG 74 N -3.42 5.28 -3.65 0.00 3.00 -1.22 -4.83 116.66 111.81 1mux n ARG 74 Ca -0.13 -4.50 -0.29 0.00 -0.00 0.00 0.00 57.85 52.93 1mux n ARG 74 Cb 1.03 -2.48 -0.12 0.00 0.00 0.00 0.00 32.46 30.89 1mux n ARG 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1mux s LYS 75 N -4.00 1.37 -0.10 -0.14 2.20 -1.26 -5.03 119.74 112.77 1mux s LYS 75 Ca 0.41 -2.25 0.03 0.00 -0.36 0.00 0.00 55.97 53.80 1mux s LYS 75 Cb 0.20 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 1mux s LYS 75 CO -0.14 -1.25 -0.21 1.41 -0.36 0.00 0.00 175.35 174.80 1mux s MET 76 N -0.03 2.78 0.13 4.03 1.75 -1.26 -5.11 119.30 121.59 1mux s MET 76 Ca 0.23 -0.78 -0.30 0.00 -1.25 0.00 0.00 55.69 53.59 1mux s MET 76 Cb -0.13 -2.15 -0.06 0.00 2.84 0.00 0.00 34.83 35.33 1mux s MET 76 CO -0.08 0.12 1.02 0.15 -0.65 0.00 0.00 175.02 175.57 1mux s LYS 77 N 0.49 4.65 -0.48 4.11 1.02 -1.26 -5.00 119.74 123.28 1mux s LYS 77 Ca -0.16 1.56 0.06 0.00 0.02 0.00 0.00 55.97 57.44 1mux s LYS 77 Cb -0.17 -3.34 0.18 0.00 -0.52 0.00 0.00 37.83 33.98 1mux s LYS 77 CO 0.06 0.15 0.58 -3.47 -0.92 0.00 0.00 175.35 171.75 1mux n ASP 78 N 2.68 -2.29 -3.61 2.83 2.03 -1.26 -5.13 116.55 111.80 1mux n ASP 78 Ca 0.03 -2.70 -0.02 0.00 0.52 0.00 0.00 54.79 52.62 1mux n ASP 78 Cb 0.48 0.85 -0.01 0.00 -0.72 0.00 0.00 41.12 41.71 1mux n ASP 78 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1mux s THR 79 N 0.55 0.00 0.07 5.18 -1.32 -1.26 -5.18 115.64 113.68 1mux s THR 79 Ca 0.31 -0.06 0.01 0.00 -1.21 0.00 0.00 61.69 60.74 1mux s THR 79 Cb 0.02 -1.35 0.01 0.00 -1.51 0.00 0.00 72.50 69.67 1mux s THR 79 CO -0.11 0.00 0.09 0.47 -2.21 0.00 0.00 174.62 172.86 1mux n ASP 80 N -0.22 0.59 0.00 8.08 8.00 -1.26 -5.04 116.55 126.70 1mux n ASP 80 Ca -0.02 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1mux n ASP 80 Cb 0.60 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1mux n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1mux n SER 81 N -2.60 0.00 0.00 -2.24 2.88 -1.26 -4.92 113.62 105.48 1mux n SER 81 Ca 0.01 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1mux n SER 81 Cb 0.08 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1mux n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1mux n GLU 82 N -2.01 0.00 -3.13 -1.46 2.13 -1.26 -5.10 120.64 109.80 1mux n GLU 82 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1mux n GLU 82 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 1mux n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1mux n GLU 83 N -2.32 -1.57 -0.09 5.31 4.07 -1.26 -4.93 120.64 119.84 1mux n GLU 83 Ca 0.00 1.50 -0.14 0.00 -0.06 0.00 0.00 57.16 58.46 1mux n GLU 83 Cb 0.00 -2.67 -0.14 0.00 -0.06 0.00 0.00 31.44 28.57 1mux n GLU 83 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1mux n GLU 84 N 0.66 0.68 0.19 5.31 1.02 -1.26 -4.17 120.64 123.06 1mux n GLU 84 Ca -0.01 0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.27 1mux n GLU 84 Cb 0.43 -1.56 0.38 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.01 1.24 0.44 -3.67 1.08 -1.98 -2.54 117.51 112.09 1mux h ILE 85 Ca -0.52 -1.20 -0.02 0.00 -0.39 0.00 0.00 64.86 62.73 1mux h ILE 85 Cb 2.08 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.48 1mux h ILE 85 CO -0.00 0.34 -0.21 -0.09 -0.69 0.00 0.00 178.15 177.50 1mux h ARG 86 N 0.00 -0.57 -0.83 2.37 1.12 -1.96 -1.76 114.38 112.76 1mux h ARG 86 Ca -0.00 0.04 0.10 0.00 -1.11 0.00 0.00 59.98 59.00 1mux h ARG 86 Cb 0.62 0.13 -0.07 0.00 -0.01 0.00 0.00 29.97 30.63 1mux h ARG 86 CO 0.05 -0.26 0.47 0.93 -3.11 0.00 0.00 179.97 178.05 1mux h GLU 87 N -0.93 0.77 -0.80 0.20 4.39 -1.71 -1.29 114.58 115.21 1mux h GLU 87 Ca -0.06 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 1mux h GLU 87 Cb 0.57 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1mux h GLU 87 CO 0.10 0.51 0.37 0.00 -1.16 0.00 0.00 179.01 178.83 1mux h ALA 88 N 1.46 1.15 -0.26 3.43 0.00 -1.42 -2.08 119.26 121.55 1mux h ALA 88 Ca 0.40 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1mux h ALA 88 Cb 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1mux h ALA 88 CO -0.25 0.64 -0.02 0.35 0.00 0.00 0.00 179.25 179.97 1mux h PHE 89 N 1.14 0.40 0.12 0.00 3.57 -0.31 -2.04 116.94 119.81 1mux h PHE 89 Ca 0.27 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1mux h PHE 89 Cb 0.13 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1mux h PHE 89 CO 0.01 0.42 -0.06 -0.09 -2.23 0.00 0.00 178.31 176.37 1mux h ARG 90 N 0.38 -0.15 -0.77 1.11 2.43 -1.02 -1.28 114.38 115.08 1mux h ARG 90 Ca 0.08 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1mux h ARG 90 Cb 0.29 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 1mux h ARG 90 CO 0.01 0.29 0.44 -0.39 -1.51 0.00 0.00 179.97 178.81 1mux h VAL 91 N -0.93 0.96 0.00 0.20 -1.51 -1.39 -0.68 116.25 112.90 1mux h VAL 91 Ca -0.02 -0.27 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 1mux h VAL 91 Cb 0.50 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 29.76 1mux h VAL 91 CO 0.03 0.14 -0.07 -0.26 -1.23 0.00 0.00 177.57 176.18 1mux h PHE 92 N 0.79 0.00 -1.87 5.19 0.04 -1.48 -3.28 116.94 116.34 1mux h PHE 92 Ca 0.35 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.47 1mux h PHE 92 Cb 0.25 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 38.02 1mux h PHE 92 CO -0.06 0.07 -0.15 -3.47 -0.60 0.00 0.00 178.31 174.10 1mux n ASP 93 N -3.13 5.54 -2.99 2.17 2.03 -0.32 -4.69 116.55 115.16 1mux n ASP 93 Ca 0.03 -3.74 -0.32 0.00 0.52 0.00 0.00 54.79 51.28 1mux n ASP 93 Cb 0.50 -0.68 -0.05 0.00 -0.72 0.00 0.00 41.12 40.17 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 -0.40 3.49 -1.04 -0.67 2.85 -0.85 -4.03 118.16 117.52 1mux n LYS 94 Ca 0.41 -2.53 -0.06 0.00 -1.05 0.00 0.00 58.31 55.08 1mux n LYS 94 Cb 0.47 -2.46 -0.06 0.00 -0.65 0.00 0.00 35.03 32.32 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 2.08 -0.82 -3.04 -5.58 5.75 -1.26 -4.98 116.55 108.70 1mux n ASP 95 Ca 0.60 -1.99 -0.16 0.00 -0.01 0.00 0.00 54.79 53.23 1mux n ASP 95 Cb 0.42 0.25 -0.01 0.00 -1.03 0.00 0.00 41.12 40.74 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 0.04 -0.48 0.07 6.12 0.00 -1.26 -4.81 105.19 104.87 1mux n GLY 96 Ca -0.25 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.94 1.83 0.00 1.61 2.85 -1.26 -5.02 115.26 113.33 1mux n ASN 97 Ca -0.02 0.58 0.00 0.00 -0.11 0.00 0.00 54.58 55.04 1mux n ASN 97 Cb 0.53 -0.85 0.00 0.00 1.24 0.00 0.00 39.78 40.70 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 1.59 0.86 2.89 8.20 0.00 -1.26 -5.09 105.19 112.38 1mux n GLY 98 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1mux n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mux s TYR 99 N -2.00 0.13 -0.28 1.61 2.02 -1.26 -4.69 117.35 112.87 1mux s TYR 99 Ca 0.00 -0.03 -0.24 0.00 -0.37 0.00 0.00 57.07 56.43 1mux s TYR 99 Cb 0.00 -0.08 -0.00 0.00 -0.40 0.00 0.00 41.96 41.48 1mux s TYR 99 CO 0.00 -0.00 0.80 0.42 -1.57 0.00 0.00 175.55 175.20 1mux s ILE 100 N -0.04 4.81 0.49 2.71 1.01 -0.82 -4.87 121.20 124.48 1mux s ILE 100 Ca 0.00 1.33 0.08 0.00 0.00 0.00 0.00 60.65 62.07 1mux s ILE 100 Cb -0.01 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.36 1mux s ILE 100 CO -0.00 -0.18 0.58 -0.55 0.00 0.00 0.00 174.94 174.79 1mux s SER 101 N 1.52 5.19 0.12 3.58 0.15 -1.26 -2.70 113.70 120.30 1mux s SER 101 Ca 0.33 -0.76 -0.13 0.00 0.70 0.00 0.00 55.95 56.10 1mux s SER 101 Cb -0.14 -0.16 -0.08 0.00 -1.71 0.00 0.00 66.02 63.93 1mux s SER 101 CO 0.11 -0.98 1.43 0.00 1.20 0.00 0.00 173.24 174.99 1mux h ALA 102 N 0.58 0.47 0.20 5.45 0.00 -1.92 -2.05 119.26 121.99 1mux h ALA 102 Ca -0.36 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.11 1mux h ALA 102 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1mux h ALA 102 CO 0.48 0.57 -0.26 0.00 0.00 0.00 0.00 179.25 180.04 1mux h ALA 103 N 0.71 -0.49 -0.48 0.00 0.00 -1.98 -1.29 119.26 115.73 1mux h ALA 103 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mux h ALA 103 Cb 0.98 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1mux h ALA 103 CO 0.09 -0.81 0.31 0.93 0.00 0.00 0.00 179.25 179.77 1mux h GLU 104 N -0.51 0.61 -0.02 0.00 5.08 -1.91 -1.02 114.58 116.81 1mux h GLU 104 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1mux h GLU 104 Cb 0.50 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1mux h GLU 104 CO -0.09 0.40 0.08 1.25 -1.00 0.00 0.00 179.01 179.65 1mux h LEU 105 N 0.62 0.00 0.21 1.33 5.85 -0.98 -1.39 115.31 120.96 1mux h LEU 105 Ca 0.18 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.56 1mux h LEU 105 Cb -0.04 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.01 1mux h LEU 105 CO -0.06 0.00 -1.65 -0.09 -0.34 0.00 0.00 178.44 176.30 1mux h ARG 106 N 0.00 0.45 0.00 1.25 2.43 -0.01 -1.98 114.38 116.52 1mux h ARG 106 Ca 0.01 -0.77 -0.04 0.00 -0.81 0.00 0.00 59.98 58.37 1mux h ARG 106 Cb 0.16 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1mux h ARG 106 CO -0.00 1.37 -0.18 1.25 -1.51 0.00 0.00 179.97 180.90 1mux h HIS 107 N 0.11 0.00 0.08 2.20 2.76 -0.95 -3.26 115.15 116.09 1mux h HIS 107 Ca -0.31 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.54 1mux h HIS 107 Cb 2.12 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 31.06 1mux h HIS 107 CO 0.11 0.18 -1.69 0.28 -1.30 0.00 0.00 177.93 175.51 1mux h VAL 108 N 0.00 0.75 -0.46 5.26 2.07 -1.38 -3.31 116.25 119.18 1mux h VAL 108 Ca -0.00 -2.28 0.13 0.00 0.82 0.00 0.00 66.70 65.37 1mux h VAL 108 Cb 0.80 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1mux h VAL 108 CO 0.02 0.66 0.63 0.24 0.02 0.00 0.00 177.57 179.14 1mux h MET 109 N -0.37 0.00 0.19 1.57 2.07 -1.40 0.17 114.93 117.16 1mux h MET 109 Ca -0.39 0.00 -0.29 0.00 -2.07 0.00 0.00 59.70 56.94 1mux h MET 109 Cb 1.74 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 31.49 1mux h MET 109 CO -0.03 0.00 -1.38 1.79 1.07 0.00 0.00 176.91 178.36 1mux h THR 110 N 0.00 1.21 -0.56 2.22 1.35 -1.68 -0.70 112.91 114.75 1mux h THR 110 Ca 0.22 -2.56 0.05 0.00 -0.55 0.00 0.00 66.41 63.57 1mux h THR 110 Cb 1.47 2.96 -0.05 0.00 -1.73 0.00 0.00 68.15 70.80 1mux h THR 110 CO -0.00 0.78 0.29 0.78 -0.25 0.00 0.00 175.52 177.12 1mux h ASN 111 N -0.07 0.43 0.48 5.36 4.21 -0.77 -2.97 115.58 122.25 1mux h ASN 111 Ca -0.26 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.26 1mux h ASN 111 Cb 1.96 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 39.11 1mux h ASN 111 CO 0.19 0.29 -0.23 -0.07 -1.29 0.00 0.00 177.43 176.31 1mux h LEU 112 N 0.56 -0.54 0.00 1.61 3.38 -1.58 -3.47 115.31 115.27 1mux h LEU 112 Ca 0.25 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1mux h LEU 112 Cb 0.15 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1mux h LEU 112 CO -0.17 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 178.73 1mux n GLY 113 N -0.79 -0.15 1.96 0.83 0.00 -1.12 -5.09 105.19 100.82 1mux n GLY 113 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -2.50 1.61 4.71 -0.34 -5.03 120.64 119.09 1mux n GLU 114 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1mux n GLU 114 Cb 0.00 -0.02 -0.02 0.00 -1.01 0.00 0.00 31.44 30.39 1mux n GLU 114 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1mux n LYS 115 N -3.22 -4.07 -3.59 3.49 4.81 -0.76 -4.93 118.16 109.90 1mux n LYS 115 Ca 0.00 3.03 -0.19 0.00 -0.87 0.00 0.00 58.31 60.28 1mux n LYS 115 Cb 0.00 -4.06 -0.04 0.00 0.02 0.00 0.00 35.03 30.95 1mux n LYS 115 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1mux n LEU 116 N 1.90 0.00 0.00 3.14 4.32 -1.26 -5.02 117.00 120.08 1mux n LEU 116 Ca -0.18 -1.93 -0.20 0.00 -0.02 0.00 0.00 56.01 53.68 1mux n LEU 116 Cb 0.27 0.32 0.12 0.00 -1.62 0.00 0.00 43.42 42.51 1mux n LEU 116 CO 0.16 -0.28 0.54 1.07 -1.22 0.00 0.00 177.39 177.67 1mux n THR 117 N -0.72 0.00 0.02 -5.08 5.66 -1.26 -4.92 114.28 107.98 1mux n THR 117 Ca -0.11 -1.09 -0.05 0.00 -3.05 0.00 0.00 64.05 59.75 1mux n THR 117 Cb 0.39 -1.22 0.15 0.00 -1.55 0.00 0.00 70.33 68.10 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 -0.81 0.49 0.24 1.09 3.32 -2.01 -2.97 116.42 115.77 1mux h ASP 118 Ca -0.29 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 1mux h ASP 118 Cb 0.97 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1mux h ASP 118 CO 0.27 0.83 -0.12 -0.33 -1.72 0.00 0.00 179.24 178.17 1mux h GLU 119 N 0.40 -0.31 -0.25 3.56 5.08 -1.99 -2.11 114.58 118.96 1mux h GLU 119 Ca 0.04 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1mux h GLU 119 Cb 0.84 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 1mux h GLU 119 CO 0.07 -0.02 -0.09 0.93 -1.00 0.00 0.00 179.01 178.90 1mux h GLU 120 N -0.60 -0.04 -0.35 2.33 4.39 -1.94 -0.32 114.58 118.06 1mux h GLU 120 Ca -0.03 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.72 1mux h GLU 120 Cb 0.43 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1mux h GLU 120 CO 0.05 -0.03 0.10 0.28 -1.16 0.00 0.00 179.01 178.25 1mux h VAL 121 N -0.04 0.87 0.00 3.13 2.07 -1.54 0.39 116.25 121.13 1mux h VAL 121 Ca 0.13 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1mux h VAL 121 Cb 0.24 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1mux h VAL 121 CO -0.28 0.04 -0.05 -0.78 0.02 0.00 0.00 177.57 176.52 1mux h ASP 122 N 0.23 0.00 0.75 0.57 3.58 -0.78 -1.31 116.42 119.46 1mux h ASP 122 Ca 0.16 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.45 1mux h ASP 122 Cb 0.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1mux h ASP 122 CO -0.19 0.05 -0.75 -0.08 -2.88 0.00 0.00 179.24 175.39 1mux h GLU 123 N 0.00 0.00 0.03 0.28 4.57 0.81 -1.69 114.58 118.58 1mux h GLU 123 Ca -0.00 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1mux h GLU 123 Cb 0.17 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1mux h GLU 123 CO 0.01 0.75 -0.45 0.52 -1.18 0.00 0.00 179.01 178.66 1mux h MET 124 N 0.00 0.25 -0.15 1.92 2.86 -0.61 -2.07 114.93 117.13 1mux h MET 124 Ca -0.01 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.21 1mux h MET 124 Cb 1.33 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 1mux h MET 124 CO 0.10 1.06 -0.38 0.82 1.06 0.00 0.00 176.91 179.56 1mux h ILE 125 N -0.42 1.30 0.24 -1.22 1.08 -1.53 -1.58 117.51 115.38 1mux h ILE 125 Ca -0.07 -1.47 -0.01 0.00 -0.39 0.00 0.00 64.86 62.92 1mux h ILE 125 Cb 1.24 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 36.60 1mux h ILE 125 CO 0.09 0.45 -0.12 -0.09 -0.69 0.00 0.00 178.15 177.79 1mux h ARG 126 N 0.27 -0.31 -0.60 2.37 2.43 -1.37 -1.82 114.38 115.35 1mux h ARG 126 Ca 0.03 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1mux h ARG 126 Cb 0.80 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1mux h ARG 126 CO 0.06 0.04 0.34 0.93 -1.51 0.00 0.00 179.97 179.83 1mux h GLU 127 N -0.92 0.82 0.00 0.20 5.08 -1.42 -1.28 114.58 117.06 1mux h GLU 127 Ca -0.03 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1mux h GLU 127 Cb 0.49 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1mux h GLU 127 CO 0.05 0.60 -0.36 0.00 -1.00 0.00 0.00 179.01 178.31 1mux h ALA 128 N 1.54 1.11 -0.98 3.43 0.00 -1.33 -3.40 119.26 119.62 1mux h ALA 128 Ca 0.22 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 1mux h ALA 128 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1mux h ALA 128 CO -0.04 0.45 0.86 0.34 0.00 0.00 0.00 179.25 180.86 1mux s ASP 129 N -6.52 4.48 -0.03 0.00 2.15 -0.48 -4.77 116.67 111.49 1mux s ASP 129 Ca -0.01 0.29 -0.21 0.00 0.43 0.00 0.00 52.55 53.05 1mux s ASP 129 Cb 0.12 -2.53 -0.32 0.00 -0.30 0.00 0.00 42.92 39.89 1mux s ASP 129 CO 0.69 -3.15 0.92 0.40 -0.17 0.00 0.00 175.17 173.86 1mux h ILE 130 N 7.50 1.48 0.00 4.11 2.04 -1.84 -3.31 117.51 127.48 1mux h ILE 130 Ca -0.10 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.22 1mux h ILE 130 Cb 1.11 3.16 0.00 0.00 -0.74 0.00 0.00 36.82 40.35 1mux h ILE 130 CO 1.12 0.73 0.00 -2.24 0.00 0.00 0.00 178.15 177.76 1mux h ASP 131 N -0.29 0.00 -3.12 1.72 3.04 -1.97 -3.48 116.42 112.32 1mux h ASP 131 Ca -0.15 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 1mux h ASP 131 Cb 1.70 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.99 1mux h ASP 131 CO 0.17 0.00 -0.00 0.61 -2.04 0.00 0.00 179.24 177.98 1mux n GLY 132 N 1.04 -0.38 0.00 7.15 0.00 -1.25 -5.03 105.19 106.73 1mux n GLY 132 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1mux n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mux n ASP 133 N -1.00 3.63 0.00 1.61 8.00 -1.26 -5.04 116.55 122.49 1mux n ASP 133 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1mux n ASP 133 Cb 0.46 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mux n GLY 134 N 2.15 2.43 3.62 0.44 0.00 -1.26 -5.07 105.19 107.49 1mux n GLY 134 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 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 2.22 -0.30 1.61 -2.07 -1.26 -4.90 119.66 114.96 1mux s GLN 135 Ca 0.00 -1.30 -0.12 0.00 -1.82 0.00 0.00 55.36 52.12 1mux s GLN 135 Cb 0.00 -2.20 -0.04 0.00 -1.09 0.00 0.00 33.01 29.68 1mux s GLN 135 CO 0.00 0.41 0.23 0.08 -1.32 0.00 0.00 175.29 174.69 1mux s VAL 136 N -1.96 5.28 0.00 3.63 1.01 -1.10 -4.92 120.40 122.34 1mux s VAL 136 Ca 0.28 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1mux s VAL 136 Cb -0.08 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1mux s VAL 136 CO 0.18 0.15 0.00 -0.46 0.00 0.00 0.00 175.10 174.97 1mux n ASN 137 N 5.11 0.00 0.19 3.32 0.23 -1.26 -1.95 115.26 120.90 1mux n ASN 137 Ca -0.13 -0.39 -0.08 0.00 -0.53 0.00 0.00 54.58 53.45 1mux n ASN 137 Cb 0.51 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.17 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 -0.13 -0.49 -0.60 -2.53 3.20 -1.98 -2.73 116.97 111.71 1mux h TYR 138 Ca 0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1mux h TYR 138 Cb 0.00 0.16 -0.10 0.00 1.54 0.00 0.00 36.73 38.34 1mux h TYR 138 CO 0.00 -0.30 -0.55 1.49 -1.64 0.00 0.00 178.16 177.15 1mux h GLU 139 N -0.89 -0.25 -0.35 1.82 4.81 -2.00 -0.74 114.58 116.98 1mux h GLU 139 Ca -0.05 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1mux h GLU 139 Cb 0.41 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 1mux h GLU 139 CO 0.09 -0.17 -0.17 0.93 -0.73 0.00 0.00 179.01 178.96 1mux h GLU 140 N -0.26 -0.10 -0.65 1.92 5.08 -1.93 0.75 114.58 119.39 1mux h GLU 140 Ca 0.11 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.65 1mux h GLU 140 Cb 0.54 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1mux h GLU 140 CO -0.71 -0.07 0.45 0.35 -1.00 0.00 0.00 179.01 178.04 1mux h PHE 141 N -0.11 0.15 0.29 4.33 3.57 -0.85 0.38 116.94 124.70 1mux h PHE 141 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1mux h PHE 141 Cb 0.38 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1mux h PHE 141 CO -0.38 0.05 -0.14 0.28 -2.23 0.00 0.00 178.31 175.89 1mux h VAL 142 N 0.12 0.00 0.00 1.41 2.07 0.34 -3.22 116.25 116.97 1mux h VAL 142 Ca 0.31 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1mux h VAL 142 Cb 1.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1mux h VAL 142 CO -0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.55 1mux n GLN 143 N -4.24 0.01 0.49 1.57 6.02 -0.90 -2.65 117.38 117.68 1mux n GLN 143 Ca -0.05 0.36 -0.20 0.00 -0.01 0.00 0.00 57.00 57.11 1mux n GLN 143 Cb 0.15 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.82 1mux n GLN 143 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1mux h MET 144 N 0.00 -1.22 0.07 -1.09 4.05 -0.93 -3.36 114.93 112.46 1mux h MET 144 Ca 0.00 0.08 -0.31 0.00 -0.28 0.00 0.00 59.70 59.20 1mux h MET 144 Cb 0.12 0.28 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 1mux h MET 144 CO 0.00 -0.81 -1.67 0.52 0.23 0.00 0.00 176.91 175.18 1mux h MET 145 N -1.26 0.16 -6.78 0.39 2.86 -1.69 -3.47 114.93 105.13 1mux h MET 145 Ca -0.12 -0.27 -0.52 0.00 -2.06 0.00 0.00 59.70 56.73 1mux h MET 145 Cb 0.98 0.10 0.04 0.00 0.06 0.00 0.00 31.60 32.77 1mux h MET 145 CO 0.19 1.13 0.58 0.95 1.06 0.00 0.00 176.91 180.82 1mux s THR 146 N -2.48 3.18 0.51 2.22 -4.23 -1.08 -4.77 115.64 108.99 1mux s THR 146 Ca -0.25 1.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 1mux s THR 146 Cb 0.06 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1mux s THR 146 CO 0.70 0.23 0.00 0.00 -0.54 0.00 0.00 174.62 175.01 1mux n ALA 147 N 1.56 -3.39 -1.57 3.99 0.00 -1.26 -4.53 120.51 115.30 1mux n ALA 147 Ca 0.02 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.22 1mux n ALA 147 Cb 0.43 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1mux n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86