#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 5.71 -0.01 0.00 2.03 -1.26 -4.80 116.55 118.22 1mux n ASP 2 Ca 0.00 -3.19 -0.00 0.00 0.52 0.00 0.00 54.79 52.11 1mux n ASP 2 Cb 0.00 -1.39 -0.00 0.00 -0.72 0.00 0.00 41.12 39.01 1mux n ASP 2 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1mux h GLN 3 N 6.01 0.00 -6.66 -0.67 4.20 -2.11 -3.47 115.11 112.41 1mux h GLN 3 Ca 0.27 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.50 1mux h GLN 3 Cb 0.71 0.00 0.23 0.00 0.30 0.00 0.00 27.48 28.72 1mux h GLN 3 CO 1.34 0.00 -1.06 1.28 -0.67 0.00 0.00 178.83 179.72 1mux n LEU 4 N -2.55 -1.96 -4.99 1.46 4.77 -1.26 -4.99 117.00 107.48 1mux n LEU 4 Ca -0.01 -0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1mux n LEU 4 Cb 0.02 -0.99 0.08 0.00 -2.33 0.00 0.00 43.42 40.20 1mux n LEU 4 CO 0.01 -3.24 0.47 0.42 -1.33 0.00 0.00 177.39 173.72 1mux s THR 5 N -2.26 2.32 -0.34 -5.08 -4.23 -1.26 -5.01 115.64 99.79 1mux s THR 5 Ca 0.55 -0.65 0.23 0.00 -1.18 0.00 0.00 61.69 60.64 1mux s THR 5 Cb -0.13 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 71.09 1mux s THR 5 CO 0.67 0.00 1.16 -0.33 -0.54 0.00 0.00 174.62 175.58 1mux h GLU 6 N -0.26 0.00 0.43 3.99 5.08 -2.00 -3.36 114.58 118.46 1mux h GLU 6 Ca -0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1mux h GLU 6 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1mux h GLU 6 CO 0.44 0.00 -0.31 0.93 -1.00 0.00 0.00 179.01 179.08 1mux h GLU 7 N 0.00 -0.70 -0.56 2.33 3.07 -2.00 -1.24 114.58 115.48 1mux h GLU 7 Ca 0.00 0.05 0.09 0.00 -0.50 0.00 0.00 59.36 59.00 1mux h GLU 7 Cb 0.95 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.99 1mux h GLU 7 CO 0.00 -0.47 0.37 1.96 -1.40 0.00 0.00 179.01 179.48 1mux h GLN 8 N -0.73 0.36 -0.39 2.33 7.50 -2.00 -0.04 115.11 122.16 1mux h GLN 8 Ca -0.04 -0.02 -0.08 0.00 0.50 0.00 0.00 58.65 59.01 1mux h GLN 8 Cb 0.61 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.04 1mux h GLN 8 CO 0.02 0.24 -0.08 0.82 -1.50 0.00 0.00 178.83 178.32 1mux h ILE 9 N 0.37 1.24 -0.15 2.54 1.08 -1.49 -2.46 117.51 118.64 1mux h ILE 9 Ca 0.25 -1.06 -0.12 0.00 -0.39 0.00 0.00 64.86 63.55 1mux h ILE 9 Cb 0.51 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1mux h ILE 9 CO -0.07 0.36 -0.41 0.00 -0.69 0.00 0.00 178.15 177.34 1mux h ALA 10 N 1.30 1.02 0.09 1.87 0.00 0.12 -2.44 119.26 121.23 1mux h ALA 10 Ca 0.11 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1mux h ALA 10 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1mux h ALA 10 CO 0.03 0.61 -0.05 1.49 0.00 0.00 0.00 179.25 181.33 1mux h GLU 11 N 0.29 -0.12 -0.89 0.00 4.81 -0.99 -1.55 114.58 116.12 1mux h GLU 11 Ca 0.03 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1mux h GLU 11 Cb 0.85 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.20 1mux h GLU 11 CO 0.07 0.04 0.59 0.74 -0.73 0.00 0.00 179.01 179.72 1mux h PHE 12 N -0.27 1.08 -0.08 0.92 0.04 -1.42 -0.63 116.94 116.58 1mux h PHE 12 Ca -0.01 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1mux h PHE 12 Cb 0.22 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1mux h PHE 12 CO -0.03 0.63 -0.14 0.87 -0.60 0.00 0.00 178.31 179.04 1mux h LYS 13 N 1.12 0.13 -0.21 1.51 1.57 -1.11 -2.27 116.57 117.31 1mux h LYS 13 Ca 0.35 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 1mux h LYS 13 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1mux h LYS 13 CO -0.10 0.28 -0.11 1.49 -0.57 0.00 0.00 179.45 180.44 1mux h GLU 14 N 0.13 0.44 -0.42 3.15 4.81 -0.09 -2.42 114.58 120.17 1mux h GLU 14 Ca 0.03 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 1mux h GLU 14 Cb 0.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1mux h GLU 14 CO 0.02 0.73 0.16 0.00 -0.73 0.00 0.00 179.01 179.19 1mux h ALA 15 N 0.70 0.55 -0.66 2.92 0.00 -1.20 -1.68 119.26 119.89 1mux h ALA 15 Ca 0.05 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1mux h ALA 15 Cb 0.60 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1mux h ALA 15 CO 0.03 0.17 0.41 0.35 0.00 0.00 0.00 179.25 180.21 1mux h PHE 16 N 0.54 0.77 -0.24 0.00 3.04 -1.41 -1.78 116.94 117.87 1mux h PHE 16 Ca 0.14 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 1mux h PHE 16 Cb 0.21 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1mux h PHE 16 CO 0.00 0.45 -0.21 0.77 -2.02 0.00 0.00 178.31 177.30 1mux h SER 17 N 0.81 0.42 -0.61 0.41 0.02 -1.23 -2.36 113.55 111.02 1mux h SER 17 Ca 0.26 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1mux h SER 17 Cb 0.01 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1mux h SER 17 CO -0.10 0.64 0.27 0.25 -1.14 0.00 0.00 176.83 176.75 1mux h LEU 18 N 0.38 0.84 0.22 5.07 6.46 -0.45 -3.24 115.31 124.59 1mux h LEU 18 Ca 0.06 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1mux h LEU 18 Cb 0.58 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1mux h LEU 18 CO 0.04 0.74 -0.10 -0.26 -0.62 0.00 0.00 178.44 178.24 1mux h PHE 19 N 0.91 -0.27 -1.75 1.25 0.04 -1.09 -3.43 116.94 112.60 1mux h PHE 19 Ca 0.22 -0.01 -0.69 0.00 2.80 0.00 0.00 57.97 60.30 1mux h PHE 19 Cb 0.15 0.09 0.02 0.00 2.20 0.00 0.00 35.95 38.41 1mux h PHE 19 CO 0.01 -0.17 0.99 -3.47 -0.60 0.00 0.00 178.31 175.07 1mux n ASP 20 N -3.77 2.84 -0.09 2.17 2.03 -0.92 -4.68 116.55 114.12 1mux n ASP 20 Ca -0.04 1.03 0.08 0.00 0.52 0.00 0.00 54.79 56.38 1mux n ASP 20 Cb 0.11 -1.24 -0.07 0.00 -0.72 0.00 0.00 41.12 39.21 1mux n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1mux n LYS 21 N 5.91 1.67 -0.12 -0.67 5.02 -1.26 -4.58 118.16 124.13 1mux n LYS 21 Ca 0.25 -0.20 -0.19 0.00 -2.02 0.00 0.00 58.31 56.15 1mux n LYS 21 Cb 0.20 -1.27 -0.11 0.00 -0.02 0.00 0.00 35.03 33.83 1mux n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1mux n ASP 22 N -1.07 2.06 0.00 4.39 5.75 -1.26 -5.06 116.55 121.36 1mux n ASP 22 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1mux n ASP 22 Cb 0.28 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1mux n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 23 N 2.13 0.72 0.00 6.12 0.00 -1.26 -5.04 105.19 107.86 1mux n GLY 23 Ca -0.44 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.61 -0.19 1.61 5.68 -1.26 -5.02 116.55 117.98 1mux n ASP 24 Ca 0.00 -0.35 0.00 0.00 -0.50 0.00 0.00 54.79 53.94 1mux n ASP 24 Cb 0.00 0.83 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 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 1.01 1.02 3.58 6.12 0.00 -1.26 -5.08 105.19 110.57 1mux n GLY 25 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.37 -0.05 -0.29 2.61 -4.23 -1.26 -4.15 115.64 105.90 1mux s THR 26 Ca 0.00 0.02 -0.18 0.00 -1.18 0.00 0.00 61.69 60.35 1mux s THR 26 Cb 0.00 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 1mux s THR 26 CO 0.00 0.01 0.50 -0.63 -0.54 0.00 0.00 174.62 173.95 1mux s ILE 27 N 1.65 5.06 0.37 2.99 1.01 -0.77 -4.86 121.20 126.66 1mux s ILE 27 Ca -0.10 0.66 0.05 0.00 0.00 0.00 0.00 60.65 61.27 1mux s ILE 27 Cb -0.06 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.60 1mux s ILE 27 CO -0.19 -0.01 0.41 1.07 0.00 0.00 0.00 174.94 176.23 1mux n THR 28 N 5.25 0.00 0.06 2.92 5.66 -1.26 -2.28 114.28 124.63 1mux n THR 28 Ca -0.05 -1.32 -0.11 0.00 -3.05 0.00 0.00 64.05 59.52 1mux n THR 28 Cb 0.50 -0.47 -0.01 0.00 -1.55 0.00 0.00 70.33 68.79 1mux n THR 28 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1mux h THR 29 N 0.30 1.41 0.87 1.09 1.35 -1.97 -2.18 112.91 113.78 1mux h THR 29 Ca -0.20 -2.37 -0.04 0.00 -0.55 0.00 0.00 66.41 63.25 1mux h THR 29 Cb 0.81 2.32 0.01 0.00 -1.73 0.00 0.00 68.15 69.56 1mux h THR 29 CO 0.29 0.71 -0.42 0.11 -0.25 0.00 0.00 175.52 175.96 1mux h LYS 30 N 0.23 -1.13 0.24 4.72 1.57 -1.98 0.31 116.57 120.53 1mux h LYS 30 Ca -0.06 0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1mux h LYS 30 Cb 1.47 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 1mux h LYS 30 CO 0.15 -0.75 -0.16 0.93 -0.57 0.00 0.00 179.45 179.04 1mux h GLU 31 N -1.29 -0.39 0.00 3.15 5.08 -1.92 0.03 114.58 119.25 1mux h GLU 31 Ca -0.12 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1mux h GLU 31 Cb 0.90 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1mux h GLU 31 CO 0.20 -0.26 0.05 1.25 -1.00 0.00 0.00 179.01 179.25 1mux h LEU 32 N -0.40 0.00 -0.03 1.33 5.85 -1.41 -1.41 115.31 119.24 1mux h LEU 32 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1mux h LEU 32 Cb 0.34 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1mux h LEU 32 CO 0.01 0.00 -0.01 1.23 -0.34 0.00 0.00 178.44 179.33 1mux h GLY 33 N 0.00 0.05 2.00 3.75 0.00 0.16 -1.73 103.07 107.31 1mux h GLY 33 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1mux h GLY 33 CO 0.00 0.04 0.00 -0.84 0.00 0.00 0.00 176.54 175.74 1mux h THR 34 N -0.31 0.00 0.04 4.70 2.02 -1.02 -1.99 112.91 116.34 1mux h THR 34 Ca 0.01 -0.49 -0.26 0.00 0.77 0.00 0.00 66.41 66.43 1mux h THR 34 Cb 0.38 1.45 0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1mux h THR 34 CO 0.00 0.00 -1.08 0.58 0.37 0.00 0.00 175.52 175.40 1mux h VAL 35 N 0.00 1.33 0.00 3.16 2.07 -1.06 -1.26 116.25 120.49 1mux h VAL 35 Ca 0.00 -2.40 -0.07 0.00 0.82 0.00 0.00 66.70 65.05 1mux h VAL 35 Cb 0.52 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1mux h VAL 35 CO 0.00 0.73 -0.70 0.24 0.02 0.00 0.00 177.57 177.86 1mux h MET 36 N 0.30 0.00 0.00 1.57 2.86 -1.17 -3.30 114.93 115.20 1mux h MET 36 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1mux h MET 36 Cb 1.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.39 1mux h MET 36 CO 0.20 0.23 -0.90 -2.13 1.06 0.00 0.00 176.91 175.37 1mux n ARG 37 N -3.00 0.42 -0.23 1.72 3.00 -0.76 -3.89 116.66 113.92 1mux n ARG 37 Ca -0.01 0.07 0.07 0.00 -0.00 0.00 0.00 57.85 57.99 1mux n ARG 37 Cb 0.67 -1.71 0.20 0.00 0.00 0.00 0.00 32.46 31.62 1mux n ARG 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1mux n SER 38 N -2.29 2.42 -0.04 6.15 2.88 -0.48 -4.03 113.62 118.22 1mux n SER 38 Ca 0.01 -2.01 -0.02 0.00 -1.33 0.00 0.00 58.87 55.53 1mux n SER 38 Cb 0.48 -0.30 -0.10 0.00 -0.75 0.00 0.00 64.21 63.54 1mux n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mux n LEU 39 N 0.81 0.00 0.00 2.46 -0.00 -1.25 -5.01 117.00 114.01 1mux n LEU 39 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1mux n LEU 39 Cb 0.38 0.21 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1mux n LEU 39 CO 0.10 0.21 0.00 0.61 -0.00 0.00 0.00 177.39 178.32 1mux n GLY 40 N 2.04 1.25 3.87 1.47 0.00 -1.26 -5.14 105.19 107.42 1mux n GLY 40 Ca -0.15 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1mux n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mux s GLN 41 N 0.00 3.67 -0.47 1.61 -0.21 -1.25 -5.02 119.66 117.98 1mux s GLN 41 Ca 0.00 0.72 0.08 0.00 0.02 0.00 0.00 55.36 56.18 1mux s GLN 41 Cb 0.00 -2.13 0.33 0.00 1.00 0.00 0.00 33.01 32.21 1mux s GLN 41 CO 0.00 -0.45 0.81 0.09 -2.12 0.00 0.00 175.29 173.62 1mux n ASN 42 N -2.42 2.51 -3.08 5.90 3.02 -1.26 -4.24 115.26 115.69 1mux n ASN 42 Ca 0.05 -3.30 0.00 0.00 -0.03 0.00 0.00 54.58 51.30 1mux n ASN 42 Cb 0.54 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1mux n ASN 42 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1mux n PRO 43 N 0.15 0.43 -4.31 3.52 -0.04 -1.26 -5.10 135.00 128.39 1mux n PRO 43 Ca 0.28 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.57 1mux n PRO 43 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1mux n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1mux s THR 44 N -0.32 0.40 0.54 0.52 2.01 -1.26 -5.02 115.64 112.51 1mux s THR 44 Ca 0.00 -2.00 0.20 0.00 0.31 0.00 0.00 61.69 60.20 1mux s THR 44 Cb 0.00 -2.57 0.30 0.00 0.01 0.00 0.00 72.50 70.24 1mux s THR 44 CO 0.00 0.00 2.16 -0.33 -0.69 0.00 0.00 174.62 175.76 1mux h GLU 45 N 2.33 0.00 0.13 4.92 5.08 -1.98 -0.87 114.58 124.19 1mux h GLU 45 Ca -0.36 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1mux h GLU 45 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1mux h GLU 45 CO 0.56 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 178.51 1mux h ALA 46 N 1.98 -0.55 -0.20 3.43 0.00 -2.00 -2.29 119.26 119.62 1mux h ALA 46 Ca 0.02 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1mux h ALA 46 Cb 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1mux h ALA 46 CO -0.00 -0.54 0.37 0.93 0.00 0.00 0.00 179.25 180.02 1mux h GLU 47 N -0.30 0.00 0.50 0.00 5.08 -1.96 -1.69 114.58 116.21 1mux h GLU 47 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1mux h GLU 47 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1mux h GLU 47 CO 0.03 0.00 -0.24 1.25 -1.00 0.00 0.00 179.01 179.05 1mux h LEU 48 N 0.00 -0.56 -1.20 1.33 6.46 -1.08 -1.55 115.31 118.71 1mux h LEU 48 Ca 0.10 -0.06 0.20 0.00 -0.12 0.00 0.00 57.88 58.00 1mux h LEU 48 Cb 0.84 0.15 -0.09 0.00 -0.73 0.00 0.00 40.66 40.83 1mux h LEU 48 CO -0.00 -0.17 0.62 -0.61 -0.62 0.00 0.00 178.44 177.66 1mux h GLN 49 N -1.06 0.60 -0.61 1.25 -0.00 -0.71 0.33 115.11 114.90 1mux h GLN 49 Ca -0.07 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.47 1mux h GLN 49 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.91 1mux h GLN 49 CO 0.11 0.40 0.07 0.22 0.00 0.00 0.00 178.83 179.64 1mux h ASP 50 N 0.62 0.97 0.48 -0.69 1.82 -1.39 -1.19 116.42 117.04 1mux h ASP 50 Ca 0.55 -0.23 -0.05 0.00 -0.39 0.00 0.00 57.03 56.91 1mux h ASP 50 Cb 1.05 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 1mux h ASP 50 CO -0.31 0.99 -0.22 -0.03 -1.61 0.00 0.00 179.24 178.06 1mux h MET 51 N 0.95 0.00 0.00 0.28 4.05 0.65 -2.47 114.93 118.39 1mux h MET 51 Ca 0.19 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.43 1mux h MET 51 Cb 0.45 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 1mux h MET 51 CO 0.02 0.22 -0.98 0.82 0.23 0.00 0.00 176.91 177.21 1mux h ILE 52 N 0.00 1.06 -0.37 1.77 2.04 -0.56 -3.32 117.51 118.13 1mux h ILE 52 Ca -0.00 -2.62 0.02 0.00 1.00 0.00 0.00 64.86 63.26 1mux h ILE 52 Cb 0.52 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 1mux h ILE 52 CO 0.03 0.60 0.20 0.78 0.00 0.00 0.00 178.15 179.76 1mux h ASN 53 N 0.00 0.30 0.28 1.72 4.21 -0.75 0.58 115.58 121.93 1mux h ASN 53 Ca -0.07 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.42 1mux h ASN 53 Cb 1.62 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 38.77 1mux h ASN 53 CO 0.08 0.22 -0.16 1.05 -1.29 0.00 0.00 177.43 177.34 1mux h GLU 54 N 0.40 0.00 -0.01 0.81 4.11 -1.67 -1.69 114.58 116.53 1mux h GLU 54 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1mux h GLU 54 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1mux h GLU 54 CO -0.09 0.16 -0.32 0.28 0.07 0.00 0.00 179.01 179.11 1mux n VAL 55 N -3.94 0.00 -3.91 -1.06 0.31 -0.55 -4.77 118.33 104.41 1mux n VAL 55 Ca -0.02 -0.24 -0.30 0.00 -0.01 0.00 0.00 64.34 63.76 1mux n VAL 55 Cb 0.25 0.95 -0.15 0.00 -0.91 0.00 0.00 33.84 33.97 1mux n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1mux s ASP 56 N -2.40 4.05 -0.38 4.52 -1.08 0.19 -4.96 116.67 116.61 1mux s ASP 56 Ca 0.23 -1.46 0.06 0.00 -0.52 0.00 0.00 52.55 50.85 1mux s ASP 56 Cb 0.19 -1.19 0.51 0.00 -1.46 0.00 0.00 42.92 40.97 1mux s ASP 56 CO 0.51 -0.30 1.58 0.00 0.52 0.00 0.00 175.17 177.47 1mux n ALA 57 N 4.63 5.00 -0.11 3.66 0.00 -1.26 -4.62 120.51 127.82 1mux n ALA 57 Ca -0.07 -3.30 -0.22 0.00 0.00 0.00 0.00 53.44 49.85 1mux n ALA 57 Cb 0.43 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.02 1.57 0.00 0.00 8.00 -1.26 -5.06 116.55 118.79 1mux n ASP 58 Ca 0.44 0.23 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1mux n ASP 58 Cb 1.04 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 1.75 0.88 0.74 0.44 0.00 -1.26 -5.06 105.19 102.68 1mux n GLY 59 Ca -0.41 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 0.00 1.61 6.94 -1.26 -5.05 115.26 117.50 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 0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 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 0.30 1.06 3.46 4.83 0.00 -1.26 -5.11 105.19 108.46 1mux n GLY 61 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1mux n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mux s THR 62 N -2.00 1.88 -0.12 2.61 -4.23 -1.26 -4.53 115.64 107.98 1mux s THR 62 Ca 0.00 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1mux s THR 62 Cb 0.00 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 1mux s THR 62 CO 0.00 -0.30 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.01 1mux s ILE 63 N -2.86 3.06 0.34 2.99 1.01 -0.96 -4.86 121.20 119.92 1mux s ILE 63 Ca 0.30 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 1mux s ILE 63 Cb 0.02 -2.28 0.08 0.00 0.01 0.00 0.00 42.46 40.29 1mux s ILE 63 CO 0.13 0.53 0.47 0.47 0.00 0.00 0.00 174.94 176.54 1mux n ASP 64 N 3.42 0.16 0.08 3.58 8.00 -1.26 -1.84 116.55 128.69 1mux n ASP 64 Ca -0.18 -1.25 -0.22 0.00 0.71 0.00 0.00 54.79 53.85 1mux n ASP 64 Cb 0.53 -0.35 -0.15 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.07 0.71 0.00 1.24 3.57 -2.00 -2.81 116.94 116.57 1mux h PHE 65 Ca -0.15 -0.52 -0.10 0.00 3.53 0.00 0.00 57.97 60.72 1mux h PHE 65 Cb 0.45 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1mux h PHE 65 CO 0.00 1.44 -0.50 -1.00 -2.23 0.00 0.00 178.31 176.02 1mux h PRO 66 N -0.16 0.00 0.00 6.41 0.13 -1.95 -2.21 132.00 134.22 1mux h PRO 66 Ca -0.21 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.82 1mux h PRO 66 Cb 1.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.98 1mux h PRO 66 CO 0.19 0.50 -0.48 1.49 -0.23 0.00 0.00 178.00 179.47 1mux h GLU 67 N 0.00 0.00 0.02 0.86 4.81 -1.95 -2.59 114.58 115.72 1mux h GLU 67 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1mux h GLU 67 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1mux h GLU 67 CO 0.06 0.48 -0.01 0.35 -0.73 0.00 0.00 179.01 179.17 1mux h PHE 68 N 0.00 -0.02 -0.48 0.92 3.04 -1.31 -2.14 116.94 116.95 1mux h PHE 68 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1mux h PHE 68 Cb 1.27 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.77 1mux h PHE 68 CO 0.00 0.53 0.32 1.25 -2.02 0.00 0.00 178.31 178.39 1mux h LEU 69 N -0.98 0.55 -0.21 0.59 5.85 -1.51 -2.06 115.31 117.54 1mux h LEU 69 Ca -0.00 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.50 1mux h LEU 69 Cb 0.56 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1mux h LEU 69 CO 0.00 0.40 -0.93 0.74 -0.34 0.00 0.00 178.44 178.32 1mux h THR 70 N 0.65 1.53 0.24 1.05 2.02 -1.57 -1.69 112.91 115.15 1mux h THR 70 Ca 0.18 -2.79 -0.01 0.00 0.77 0.00 0.00 66.41 64.56 1mux h THR 70 Cb -0.08 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1mux h THR 70 CO -0.04 0.81 -0.12 -0.03 0.37 0.00 0.00 175.52 176.51 1mux h MET 71 N 0.08 -0.32 0.00 6.66 1.85 -0.67 -2.27 114.93 120.26 1mux h MET 71 Ca -0.05 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1mux h MET 71 Cb 1.58 0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.69 1mux h MET 71 CO 0.14 -0.14 -0.08 -1.33 -0.40 0.00 0.00 176.91 175.10 1mux n MET 72 N -5.19 0.02 0.15 0.39 2.81 -1.04 -3.33 117.12 110.93 1mux n MET 72 Ca -0.09 0.02 0.05 0.00 -1.81 0.00 0.00 57.70 55.87 1mux n MET 72 Cb 0.18 -1.52 0.05 0.00 -0.71 0.00 0.00 33.22 31.22 1mux n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mux h ALA 73 N 2.96 0.75 -1.70 3.04 0.00 -0.96 -3.35 119.26 120.00 1mux h ALA 73 Ca 0.00 -0.34 -0.74 0.00 0.00 0.00 0.00 54.91 53.84 1mux h ALA 73 Cb 0.52 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 17.96 1mux h ALA 73 CO 0.00 0.44 0.43 -2.13 0.00 0.00 0.00 179.25 177.99 1mux n ARG 74 N -3.13 4.50 -0.13 0.00 0.63 -0.88 -4.69 116.66 112.95 1mux n ARG 74 Ca 0.02 -4.71 -0.25 0.00 -0.92 0.00 0.00 57.85 51.99 1mux n ARG 74 Cb 0.68 -2.40 -0.10 0.00 0.45 0.00 0.00 32.46 31.09 1mux n ARG 74 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1mux n LYS 75 N 0.17 0.56 -4.21 -0.14 0.00 -1.26 -4.94 118.16 108.35 1mux n LYS 75 Ca 0.38 0.21 -0.30 0.00 0.00 0.00 0.00 58.31 58.61 1mux n LYS 75 Cb 0.32 -1.44 -0.16 0.00 0.00 0.00 0.00 35.03 33.74 1mux n LYS 75 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1mux s MET 76 N -2.48 2.36 0.34 1.64 1.75 -1.26 -5.13 119.30 116.52 1mux s MET 76 Ca -0.35 -0.59 0.09 0.00 -1.25 0.00 0.00 55.69 53.58 1mux s MET 76 Cb 0.12 -2.08 -0.05 0.00 2.84 0.00 0.00 34.83 35.66 1mux s MET 76 CO 0.48 -0.16 0.02 -1.59 -0.65 0.00 0.00 175.02 173.11 1mux s LYS 77 N 1.27 2.09 0.71 4.11 0.00 -1.26 -5.13 119.74 121.53 1mux s LYS 77 Ca 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 55.97 54.13 1mux s LYS 77 Cb -0.14 -1.94 0.18 0.00 0.00 0.00 0.00 37.83 35.93 1mux s LYS 77 CO -0.07 0.14 0.41 -0.40 0.00 0.00 0.00 175.35 175.43 1mux n ASP 78 N -0.96 -3.06 -2.70 0.03 5.68 -1.26 -5.06 116.55 109.22 1mux n ASP 78 Ca -0.04 -0.42 -0.14 0.00 -0.50 0.00 0.00 54.79 53.69 1mux n ASP 78 Cb 0.62 -0.48 -0.04 0.00 -1.14 0.00 0.00 41.12 40.08 1mux n ASP 78 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1mux n THR 79 N -4.37 0.00 -4.85 2.12 5.66 -1.26 -5.15 114.28 106.43 1mux n THR 79 Ca 0.07 -1.35 -0.33 0.00 -3.05 0.00 0.00 64.05 59.39 1mux n THR 79 Cb 0.29 0.52 -0.14 0.00 -1.55 0.00 0.00 70.33 69.45 1mux n THR 79 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1mux s ASP 80 N -2.39 3.92 -0.28 1.09 -1.08 -1.26 -5.09 116.67 111.57 1mux s ASP 80 Ca 0.14 -0.32 0.02 0.00 -0.52 0.00 0.00 52.55 51.87 1mux s ASP 80 Cb 0.01 -1.37 0.08 0.00 -1.46 0.00 0.00 42.92 40.17 1mux s ASP 80 CO 0.10 0.21 0.00 -0.44 0.52 0.00 0.00 175.17 175.57 1mux s SER 81 N 0.05 4.23 0.55 -0.34 0.01 -1.26 -5.02 113.70 111.93 1mux s SER 81 Ca -0.06 -1.60 -0.04 0.00 1.31 0.00 0.00 55.95 55.57 1mux s SER 81 Cb -0.15 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.79 1mux s SER 81 CO 0.05 -0.31 0.84 -0.70 0.41 0.00 0.00 173.24 173.52 1mux s GLU 82 N 1.25 3.00 0.02 12.44 2.56 -1.26 -4.97 118.70 131.74 1mux s GLU 82 Ca 0.02 -0.11 -0.25 0.00 0.00 0.00 0.00 54.97 54.63 1mux s GLU 82 Cb -0.19 -2.35 -0.17 0.00 2.00 0.00 0.00 34.13 33.42 1mux s GLU 82 CO -0.10 -0.56 1.33 0.93 -0.56 0.00 0.00 175.26 176.30 1mux h GLU 83 N -0.01 -0.28 -0.30 4.30 5.08 -2.00 -2.37 114.58 119.01 1mux h GLU 83 Ca -0.46 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1mux h GLU 83 Cb 1.25 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 1mux h GLU 83 CO 0.60 0.03 0.04 1.49 -1.00 0.00 0.00 179.01 180.17 1mux h GLU 84 N -0.60 0.14 -0.67 2.33 4.81 -2.01 -1.69 114.58 116.88 1mux h GLU 84 Ca -0.03 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.31 1mux h GLU 84 Cb 0.44 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.70 1mux h GLU 84 CO 0.05 0.09 0.23 0.82 -0.73 0.00 0.00 179.01 179.47 1mux h ILE 85 N 0.14 0.67 -0.67 2.32 2.04 -1.95 -0.59 117.51 119.47 1mux h ILE 85 Ca 0.14 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 65.96 1mux h ILE 85 Cb 0.17 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 1mux h ILE 85 CO -0.21 0.07 0.33 -0.09 0.00 0.00 0.00 178.15 178.25 1mux h ARG 86 N 0.38 0.56 0.02 2.37 9.65 -0.76 -2.22 114.38 124.37 1mux h ARG 86 Ca 0.36 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.22 1mux h ARG 86 Cb 0.52 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 1mux h ARG 86 CO -0.38 0.37 -0.11 0.93 2.80 0.00 0.00 179.97 183.58 1mux h GLU 87 N 0.58 -0.19 -0.48 0.20 5.08 -0.74 -1.34 114.58 117.68 1mux h GLU 87 Ca 0.33 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.84 1mux h GLU 87 Cb 0.32 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1mux h GLU 87 CO -0.25 -0.13 0.36 0.00 -1.00 0.00 0.00 179.01 177.99 1mux h ALA 88 N 0.75 2.43 -0.13 3.43 0.00 -1.00 -0.66 119.26 124.08 1mux h ALA 88 Ca 0.03 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1mux h ALA 88 Cb 0.24 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1mux h ALA 88 CO -0.10 -0.61 -0.67 0.35 0.00 0.00 0.00 179.25 178.23 1mux h PHE 89 N 0.00 0.66 0.02 0.00 3.57 -0.74 -2.20 116.94 118.25 1mux h PHE 89 Ca 0.23 -0.27 -0.20 0.00 3.53 0.00 0.00 57.97 61.26 1mux h PHE 89 Cb 0.94 -0.11 0.02 0.00 2.79 0.00 0.00 35.95 39.59 1mux h PHE 89 CO 0.00 1.02 -0.78 0.00 -2.23 0.00 0.00 178.31 176.32 1mux h ARG 90 N 0.36 0.50 -0.29 1.11 3.08 -0.74 -2.00 114.38 116.38 1mux h ARG 90 Ca -0.02 -0.56 -0.15 0.00 0.07 0.00 0.00 59.98 59.32 1mux h ARG 90 Cb 1.23 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 1mux h ARG 90 CO 0.12 1.19 -0.42 -0.39 -1.07 0.00 0.00 179.97 179.41 1mux h VAL 91 N 0.04 1.29 0.00 2.04 -1.51 -1.45 -2.70 116.25 113.96 1mux h VAL 91 Ca -0.10 -1.61 -0.08 0.00 -1.23 0.00 0.00 66.70 63.68 1mux h VAL 91 Cb 1.48 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 32.24 1mux h VAL 91 CO 0.15 0.52 -0.39 -0.26 -1.23 0.00 0.00 177.57 176.36 1mux h PHE 92 N 0.57 0.00 -2.16 5.19 -1.00 -1.51 -3.35 116.94 114.68 1mux h PHE 92 Ca 0.03 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.22 1mux h PHE 92 Cb 1.02 0.00 -0.41 0.00 3.61 0.00 0.00 35.95 40.16 1mux h PHE 92 CO 0.07 0.39 -0.73 -3.47 -1.61 0.00 0.00 178.31 172.97 1mux n ASP 93 N -3.36 2.80 -3.54 2.17 -0.08 -0.75 -4.66 116.55 109.13 1mux n ASP 93 Ca 0.01 -3.24 -0.35 0.00 -1.51 0.00 0.00 54.79 49.70 1mux n ASP 93 Cb 0.59 -0.66 -0.03 0.00 2.34 0.00 0.00 41.12 43.36 1mux n ASP 93 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1mux n LYS 94 N 1.03 3.84 -0.98 -0.67 2.85 -1.03 -4.62 118.16 118.59 1mux n LYS 94 Ca 0.27 -4.68 -0.01 0.00 -1.05 0.00 0.00 58.31 52.84 1mux n LYS 94 Cb 0.44 -2.37 -0.02 0.00 -0.65 0.00 0.00 35.03 32.43 1mux n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1mux n ASP 95 N 0.58 -0.04 -1.97 -5.58 5.75 -1.26 -4.97 116.55 109.06 1mux n ASP 95 Ca 0.32 -1.81 -0.21 0.00 -0.01 0.00 0.00 54.79 53.08 1mux n ASP 95 Cb 0.35 -0.02 -0.05 0.00 -1.03 0.00 0.00 41.12 40.37 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 0.15 0.85 0.00 6.12 0.00 -1.26 -4.88 105.19 106.17 1mux n GLY 96 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.67 0.00 0.00 1.61 4.05 -1.26 -5.03 115.26 112.95 1mux n ASN 97 Ca -0.23 0.11 0.00 0.00 0.45 0.00 0.00 54.58 54.91 1mux n ASN 97 Cb 0.69 -0.47 0.00 0.00 1.23 0.00 0.00 39.78 41.23 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mux n GLY 98 N 1.67 1.43 3.15 8.20 0.00 -1.26 -5.11 105.19 113.28 1mux n GLY 98 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.87 1.02 -0.33 1.61 2.02 -1.26 -4.62 117.35 113.92 1mux s TYR 99 Ca 0.00 -0.58 -0.19 0.00 -0.37 0.00 0.00 57.07 55.93 1mux s TYR 99 Cb 0.00 -0.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.98 1mux s TYR 99 CO 0.00 -0.00 0.58 0.42 -1.57 0.00 0.00 175.55 174.97 1mux s ILE 100 N -1.97 4.97 0.63 2.71 1.01 -0.86 -4.83 121.20 122.85 1mux s ILE 100 Ca 0.01 0.62 0.03 0.00 0.00 0.00 0.00 60.65 61.31 1mux s ILE 100 Cb -0.06 -3.98 0.09 0.00 0.01 0.00 0.00 42.46 38.52 1mux s ILE 100 CO 0.01 -0.18 0.87 -0.55 0.00 0.00 0.00 174.94 175.08 1mux s SER 101 N 1.71 4.82 0.09 3.58 0.15 -1.26 -2.66 113.70 120.13 1mux s SER 101 Ca 0.22 -0.45 -0.15 0.00 0.70 0.00 0.00 55.95 56.28 1mux s SER 101 Cb -0.15 -0.12 -0.13 0.00 -1.71 0.00 0.00 66.02 63.91 1mux s SER 101 CO 0.13 -1.51 1.34 0.00 1.20 0.00 0.00 173.24 174.40 1mux h ALA 102 N -0.13 0.35 0.03 5.45 0.00 -1.91 -1.95 119.26 121.10 1mux h ALA 102 Ca -0.36 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 1mux h ALA 102 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1mux h ALA 102 CO 0.43 0.52 -0.01 0.00 0.00 0.00 0.00 179.25 180.18 1mux h ALA 103 N 0.60 -0.04 -0.92 0.00 0.00 -1.97 -2.10 119.26 114.83 1mux h ALA 103 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1mux h ALA 103 Cb 1.11 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1mux h ALA 103 CO 0.11 -0.35 0.61 1.49 0.00 0.00 0.00 179.25 181.10 1mux h GLU 104 N -0.38 1.18 -0.32 0.00 4.81 -1.93 -1.40 114.58 116.53 1mux h GLU 104 Ca -0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1mux h GLU 104 Cb 0.36 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1mux h GLU 104 CO 0.01 0.78 0.07 1.25 -0.73 0.00 0.00 179.01 180.39 1mux h LEU 105 N 1.22 0.43 -0.82 1.64 5.85 -1.27 -1.96 115.31 120.40 1mux h LEU 105 Ca 0.35 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.90 1mux h LEU 105 Cb -0.09 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1mux h LEU 105 CO -0.09 0.44 -0.40 -0.09 -0.34 0.00 0.00 178.44 177.96 1mux h ARG 106 N 0.47 0.40 0.00 1.25 2.43 -0.56 -2.65 114.38 115.72 1mux h ARG 106 Ca 0.11 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1mux h ARG 106 Cb 0.19 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1mux h ARG 106 CO -0.00 0.74 -0.31 1.25 -1.51 0.00 0.00 179.97 180.14 1mux h HIS 107 N 0.33 0.00 0.07 2.20 2.76 -0.87 -3.18 115.15 116.46 1mux h HIS 107 Ca 0.03 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.91 1mux h HIS 107 Cb 0.85 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.84 1mux h HIS 107 CO 0.02 0.31 -1.17 0.28 -1.30 0.00 0.00 177.93 176.07 1mux h VAL 108 N 0.00 1.28 -0.60 5.26 2.07 -1.08 -3.26 116.25 119.92 1mux h VAL 108 Ca -0.00 -2.37 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 1mux h VAL 108 Cb 0.97 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 33.27 1mux h VAL 108 CO 0.04 0.73 0.28 0.24 0.02 0.00 0.00 177.57 178.88 1mux h MET 109 N 0.33 0.84 -0.77 1.57 2.07 -1.48 -2.34 114.93 115.14 1mux h MET 109 Ca -0.17 -0.11 0.12 0.00 -2.07 0.00 0.00 59.70 57.48 1mux h MET 109 Cb 1.83 -0.16 -0.08 0.00 -1.87 0.00 0.00 31.60 31.32 1mux h MET 109 CO 0.23 0.65 0.38 1.79 1.07 0.00 0.00 176.91 181.03 1mux h THR 110 N 0.84 0.77 -0.24 2.22 1.35 -1.59 -1.31 112.91 114.95 1mux h THR 110 Ca 0.21 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1mux h THR 110 Cb 0.09 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.63 1mux h THR 110 CO -0.03 0.11 0.16 0.78 -0.25 0.00 0.00 175.52 176.29 1mux h ASN 111 N 0.59 0.28 -0.79 5.36 2.35 -1.52 -2.15 115.58 119.70 1mux h ASN 111 Ca 0.40 -0.01 0.11 0.00 -0.55 0.00 0.00 56.30 56.25 1mux h ASN 111 Cb 0.51 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.76 1mux h ASN 111 CO -0.33 0.21 0.52 -0.07 -1.65 0.00 0.00 177.43 176.11 1mux h LEU 112 N 0.33 0.62 0.00 1.61 3.38 -1.20 -3.46 115.31 116.58 1mux h LEU 112 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1mux h LEU 112 Cb -0.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1mux h LEU 112 CO -0.02 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1mux n GLY 113 N -1.45 0.91 3.26 0.83 0.00 -0.81 -5.11 105.19 102.81 1mux n GLY 113 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 0.19 2.72 -0.52 1.61 2.02 -1.22 -5.07 118.70 118.43 1mux s GLU 114 Ca 0.00 -0.89 -0.25 0.00 0.02 0.00 0.00 54.97 53.84 1mux s GLU 114 Cb 0.00 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 32.05 1mux s GLU 114 CO 0.00 0.32 0.99 0.21 0.02 0.00 0.00 175.26 176.80 1mux s LYS 115 N -0.00 3.45 0.27 1.61 2.20 -1.26 -4.64 119.74 121.36 1mux s LYS 115 Ca -0.08 0.00 0.06 0.00 -0.36 0.00 0.00 55.97 55.59 1mux s LYS 115 Cb -0.15 -4.00 -0.06 0.00 -1.51 0.00 0.00 37.83 32.12 1mux s LYS 115 CO 0.05 -1.43 -0.06 -0.51 -0.36 0.00 0.00 175.35 173.04 1mux s LEU 116 N 4.08 2.46 0.30 5.43 1.43 -1.26 -5.16 118.68 125.97 1mux s LEU 116 Ca 0.36 -1.17 0.08 0.00 -1.03 0.00 0.00 54.13 52.36 1mux s LEU 116 Cb -0.11 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 1mux s LEU 116 CO 0.23 -0.33 0.22 -0.89 0.23 0.00 0.00 176.35 175.81 1mux s THR 117 N -3.04 3.83 0.25 5.49 2.01 -1.26 -5.01 115.64 117.91 1mux s THR 117 Ca 0.28 -1.46 -0.05 0.00 0.31 0.00 0.00 61.69 60.78 1mux s THR 117 Cb 0.03 -3.22 0.24 0.00 0.01 0.00 0.00 72.50 69.57 1mux s THR 117 CO 0.11 -0.26 1.89 0.44 -0.69 0.00 0.00 174.62 176.11 1mux h ASP 118 N 1.42 1.01 -0.61 3.53 5.19 -2.01 -1.55 116.42 123.40 1mux h ASP 118 Ca -0.46 -0.00 0.04 0.00 -0.62 0.00 0.00 57.03 55.98 1mux h ASP 118 Cb 1.25 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.50 1mux h ASP 118 CO 0.60 0.67 0.41 -0.33 -3.12 0.00 0.00 179.24 177.47 1mux h GLU 119 N 1.16 0.69 -0.01 3.56 5.08 -1.99 -2.14 114.58 120.94 1mux h GLU 119 Ca 0.39 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1mux h GLU 119 Cb 0.06 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1mux h GLU 119 CO -0.14 0.46 -0.00 0.93 -1.00 0.00 0.00 179.01 179.26 1mux h GLU 120 N 0.71 0.02 0.29 2.33 4.39 -1.68 -1.99 114.58 118.66 1mux h GLU 120 Ca 0.25 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1mux h GLU 120 Cb 0.10 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1mux h GLU 120 CO -0.07 0.36 -0.17 0.28 -1.16 0.00 0.00 179.01 178.26 1mux h VAL 121 N -0.33 0.65 -0.83 3.13 2.07 -1.29 -1.41 116.25 118.23 1mux h VAL 121 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1mux h VAL 121 Cb 0.36 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 1mux h VAL 121 CO 0.00 0.00 0.45 -0.78 0.02 0.00 0.00 177.57 177.26 1mux h ASP 122 N -0.44 0.59 -0.16 0.57 3.58 -1.44 0.90 116.42 120.02 1mux h ASP 122 Ca -0.03 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 1mux h ASP 122 Cb 0.36 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1mux h ASP 122 CO 0.04 0.29 0.01 -0.08 -2.88 0.00 0.00 179.24 176.62 1mux h GLU 123 N 0.69 0.39 0.25 0.28 4.81 -0.93 -2.59 114.58 117.48 1mux h GLU 123 Ca 0.43 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1mux h GLU 123 Cb 0.51 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1mux h GLU 123 CO -0.31 0.41 -0.12 0.52 -0.73 0.00 0.00 179.01 178.79 1mux h MET 124 N 0.38 -0.32 -0.62 1.92 2.86 0.26 -2.03 114.93 117.38 1mux h MET 124 Ca 0.09 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.89 1mux h MET 124 Cb 0.24 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1mux h MET 124 CO 0.01 -0.04 0.42 0.82 1.06 0.00 0.00 176.91 179.18 1mux h ILE 125 N -0.59 0.79 -0.24 -1.22 1.08 -1.26 -1.04 117.51 115.03 1mux h ILE 125 Ca -0.03 -0.08 -0.13 0.00 -0.39 0.00 0.00 64.86 64.23 1mux h ILE 125 Cb 0.43 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1mux h ILE 125 CO 0.06 0.04 -0.35 -0.09 -0.69 0.00 0.00 178.15 177.12 1mux h ARG 126 N 0.23 0.66 0.00 2.37 2.43 -1.18 -0.31 114.38 118.58 1mux h ARG 126 Ca 0.30 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1mux h ARG 126 Cb 0.85 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1mux h ARG 126 CO -0.06 1.01 -0.11 0.93 -1.51 0.00 0.00 179.97 180.22 1mux h GLU 127 N 0.38 0.00 0.00 0.20 5.08 -0.48 -2.48 114.58 117.27 1mux h GLU 127 Ca 0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1mux h GLU 127 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1mux h GLU 127 CO 0.08 0.11 -1.42 0.00 -1.00 0.00 0.00 179.01 176.79 1mux n ALA 128 N -2.24 2.32 -2.19 3.43 0.00 -0.79 -4.72 120.51 116.32 1mux n ALA 128 Ca -0.01 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.66 1mux n ALA 128 Cb 0.26 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 1mux n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mux s ASP 129 N -5.34 5.53 0.08 0.00 2.15 -0.14 -4.72 116.67 114.23 1mux s ASP 129 Ca -0.03 -0.85 0.17 0.00 0.43 0.00 0.00 52.55 52.26 1mux s ASP 129 Cb 0.10 -2.56 -0.12 0.00 -0.30 0.00 0.00 42.92 40.04 1mux s ASP 129 CO 0.82 -2.39 0.88 0.40 -0.17 0.00 0.00 175.17 174.71 1mux h ILE 130 N 7.11 0.51 0.00 4.11 2.04 -1.84 -3.33 117.51 126.11 1mux h ILE 130 Ca 0.11 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.98 1mux h ILE 130 Cb 1.01 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1mux h ILE 130 CO 1.27 0.29 -0.61 -2.24 0.00 0.00 0.00 178.15 176.87 1mux h ASP 131 N 0.00 0.00 -3.58 1.72 3.04 -1.95 -3.49 116.42 112.16 1mux h ASP 131 Ca -0.15 -0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 1mux h ASP 131 Cb 1.56 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.85 1mux h ASP 131 CO 0.05 0.07 -0.00 0.61 -2.04 0.00 0.00 179.24 177.92 1mux n GLY 132 N 1.28 -0.54 0.00 7.15 0.00 -1.25 -5.02 105.19 106.81 1mux n GLY 132 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.16 2.16 0.00 1.61 8.00 -1.26 -5.03 116.55 120.87 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 0.49 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 1.97 1.54 3.55 0.44 0.00 -1.26 -5.11 105.19 106.32 1mux n GLY 134 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.07 0.97 -0.08 1.61 -2.07 -1.26 -4.86 119.66 113.91 1mux s GLN 135 Ca 0.00 0.44 -0.19 0.00 -1.82 0.00 0.00 55.36 53.79 1mux s GLN 135 Cb 0.00 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 1mux s GLN 135 CO 0.00 -0.26 0.51 0.08 -1.32 0.00 0.00 175.29 174.29 1mux s VAL 136 N -0.78 5.10 0.44 3.63 1.01 -1.09 -4.81 120.40 123.91 1mux s VAL 136 Ca -0.08 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.01 1mux s VAL 136 Cb -0.01 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1mux s VAL 136 CO 0.07 0.37 0.42 0.21 0.00 0.00 0.00 175.10 176.17 1mux s ASN 137 N 0.27 5.04 0.33 3.32 2.47 -1.26 -2.04 114.94 123.07 1mux s ASN 137 Ca 0.27 -0.79 0.06 0.00 0.42 0.00 0.00 52.86 52.83 1mux s ASN 137 Cb -0.16 -0.42 0.73 0.00 -1.45 0.00 0.00 41.25 39.95 1mux s ASN 137 CO 0.12 -0.75 1.85 0.22 -3.72 0.00 0.00 177.10 174.82 1mux h TYR 138 N 0.93 0.95 0.43 0.43 3.20 -1.98 -1.85 116.97 119.07 1mux h TYR 138 Ca -0.40 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1mux h TYR 138 Cb 1.27 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1mux h TYR 138 CO 0.55 0.34 -0.21 0.93 -1.64 0.00 0.00 178.16 178.13 1mux h GLU 139 N 0.79 -0.56 -1.20 1.82 5.08 -1.99 -2.70 114.58 115.81 1mux h GLU 139 Ca 0.48 0.04 0.34 0.00 -1.00 0.00 0.00 59.36 59.22 1mux h GLU 139 Cb 0.68 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.98 1mux h GLU 139 CO -0.24 -0.38 0.81 0.93 -1.00 0.00 0.00 179.01 179.13 1mux h GLU 140 N -0.87 0.17 -0.33 2.33 5.08 -1.82 0.15 114.58 119.29 1mux h GLU 140 Ca -0.06 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1mux h GLU 140 Cb 0.45 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1mux h GLU 140 CO 0.10 0.11 -0.39 0.35 -1.00 0.00 0.00 179.01 178.18 1mux h PHE 141 N 0.17 1.03 0.00 4.33 3.04 -1.30 -2.28 116.94 121.93 1mux h PHE 141 Ca 0.65 -0.33 -0.02 0.00 3.98 0.00 0.00 57.97 62.26 1mux h PHE 141 Cb 2.11 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 40.41 1mux h PHE 141 CO -0.00 1.13 -0.08 0.28 -2.02 0.00 0.00 178.31 177.62 1mux h VAL 142 N 0.63 0.15 0.00 1.41 2.07 -0.41 -3.12 116.25 116.97 1mux h VAL 142 Ca 0.04 -1.06 -0.20 0.00 0.82 0.00 0.00 66.70 66.30 1mux h VAL 142 Cb 0.99 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1mux h VAL 142 CO 0.09 0.08 -1.20 1.56 0.02 0.00 0.00 177.57 178.13 1mux h GLN 143 N 0.00 0.00 0.00 1.57 4.20 -1.15 -2.92 115.11 116.81 1mux h GLN 143 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1mux h GLN 143 Cb 0.93 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 1mux h GLN 143 CO 0.01 0.60 -0.32 0.00 -0.67 0.00 0.00 178.83 178.46 1mux h MET 144 N 0.00 0.00 0.00 1.46 -0.00 -1.43 -3.38 114.93 111.58 1mux h MET 144 Ca -0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.56 1mux h MET 144 Cb 1.72 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.32 1mux h MET 144 CO 0.08 0.01 -0.58 -1.33 -0.00 0.00 0.00 176.91 175.09 1mux n MET 145 N -2.98 0.46 -1.66 -0.10 2.81 -1.18 -4.89 117.12 109.59 1mux n MET 145 Ca 0.03 0.53 -0.46 0.00 -1.81 0.00 0.00 57.70 55.99 1mux n MET 145 Cb 0.54 -1.70 -0.04 0.00 -0.71 0.00 0.00 33.22 31.32 1mux n MET 145 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1mux n THR 146 N -4.60 0.42 -3.52 2.03 5.66 -1.10 -4.95 114.28 108.21 1mux n THR 146 Ca -0.09 -0.10 0.01 0.00 -3.05 0.00 0.00 64.05 60.81 1mux n THR 146 Cb 0.30 -1.42 -0.05 0.00 -1.55 0.00 0.00 70.33 67.61 1mux n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mux s ALA 147 N 0.44 -2.67 0.00 1.79 0.00 -1.26 -4.88 121.76 115.18 1mux s ALA 147 Ca 0.75 2.03 0.00 0.00 0.00 0.00 0.00 51.96 54.74 1mux s ALA 147 Cb -0.70 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1mux s ALA 147 CO 0.44 -0.57 0.10 1.17 0.00 0.00 0.00 175.76 176.90