#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mux s ASP 2 N 0.00 -0.50 -0.43 0.00 1.47 -1.26 -5.07 116.67 110.88 1mux s ASP 2 Ca 0.00 0.82 0.02 0.00 1.18 0.00 0.00 52.55 54.57 1mux s ASP 2 Cb 0.00 0.84 0.14 0.00 -0.34 0.00 0.00 42.92 43.57 1mux s ASP 2 CO 0.00 -0.30 0.26 -1.10 0.68 0.00 0.00 175.17 174.71 1mux s GLN 3 N -0.26 1.11 0.98 2.11 -0.21 -1.26 -5.10 119.66 117.04 1mux s GLN 3 Ca -0.04 -1.93 -0.16 0.00 0.02 0.00 0.00 55.36 53.25 1mux s GLN 3 Cb -0.03 -2.00 0.24 0.00 1.00 0.00 0.00 33.01 32.22 1mux s GLN 3 CO 0.03 -1.21 0.55 1.28 -2.12 0.00 0.00 175.29 173.81 1mux n LEU 4 N 3.47 0.00 -0.08 2.90 4.77 -1.26 -4.92 117.00 121.88 1mux n LEU 4 Ca 0.13 -0.55 -0.06 0.00 -0.03 0.00 0.00 56.01 55.50 1mux n LEU 4 Cb 0.37 -0.68 -0.16 0.00 -2.33 0.00 0.00 43.42 40.62 1mux n LEU 4 CO 0.19 -2.39 -1.07 1.07 -1.33 0.00 0.00 177.39 173.87 1mux n THR 5 N -4.77 1.13 -0.01 -5.08 5.66 -1.26 -4.00 114.28 105.96 1mux n THR 5 Ca 0.09 -0.79 -0.14 0.00 -3.05 0.00 0.00 64.05 60.16 1mux n THR 5 Cb 0.38 -0.39 -0.14 0.00 -1.55 0.00 0.00 70.33 68.63 1mux n THR 5 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1mux h GLU 6 N 0.00 0.12 -0.32 1.09 4.81 -2.01 -3.34 114.58 114.93 1mux h GLU 6 Ca -0.44 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 58.53 1mux h GLU 6 Cb 2.01 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.45 1mux h GLU 6 CO 0.03 0.82 -0.02 1.49 -0.73 0.00 0.00 179.01 180.60 1mux h GLU 7 N 0.03 0.58 -0.43 1.92 4.81 -1.96 -2.53 114.58 117.00 1mux h GLU 7 Ca -0.34 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 58.75 1mux h GLU 7 Cb 2.02 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 31.30 1mux h GLU 7 CO 0.09 0.73 0.14 0.37 -0.73 0.00 0.00 179.01 179.60 1mux h GLN 8 N 0.38 0.29 -0.95 1.92 4.15 -1.73 -0.88 115.11 118.28 1mux h GLN 8 Ca 0.09 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.50 1mux h GLN 8 Cb 0.47 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 1mux h GLN 8 CO 0.02 0.19 0.62 0.82 -1.93 0.00 0.00 178.83 178.55 1mux h ILE 9 N 0.30 1.24 0.00 2.39 2.04 -1.66 0.05 117.51 121.87 1mux h ILE 9 Ca 0.21 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1mux h ILE 9 Cb 0.21 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1mux h ILE 9 CO -0.22 0.24 -0.10 0.00 0.00 0.00 0.00 178.15 178.07 1mux h ALA 10 N 1.34 1.53 -0.18 1.87 0.00 -0.80 -2.13 119.26 120.89 1mux h ALA 10 Ca 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1mux h ALA 10 Cb -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1mux h ALA 10 CO -0.07 0.12 -0.05 1.49 0.00 0.00 0.00 179.25 180.73 1mux h GLU 11 N 0.00 0.36 -0.17 0.00 4.81 0.30 -1.79 114.58 118.11 1mux h GLU 11 Ca -0.00 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1mux h GLU 11 Cb 0.21 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1mux h GLU 11 CO 0.01 0.63 -0.08 0.74 -0.73 0.00 0.00 179.01 179.59 1mux h PHE 12 N 0.07 0.26 -0.47 0.92 0.04 -1.11 -2.43 116.94 114.22 1mux h PHE 12 Ca 0.05 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 1mux h PHE 12 Cb 0.51 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1mux h PHE 12 CO 0.05 0.34 -0.20 0.87 -0.60 0.00 0.00 178.31 178.77 1mux h LYS 13 N 0.24 0.97 -0.38 1.51 1.57 -1.13 -2.18 116.57 117.16 1mux h LYS 13 Ca 0.05 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1mux h LYS 13 Cb 0.30 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1mux h LYS 13 CO 0.01 1.08 0.16 1.49 -0.57 0.00 0.00 179.45 181.62 1mux h GLU 14 N 0.82 0.57 -0.54 3.15 4.57 -0.85 -2.04 114.58 120.25 1mux h GLU 14 Ca 0.11 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1mux h GLU 14 Cb 0.78 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1mux h GLU 14 CO 0.06 0.54 0.09 0.00 -1.18 0.00 0.00 179.01 178.53 1mux h ALA 15 N 1.00 1.14 -0.56 2.92 0.00 -1.44 -2.49 119.26 119.83 1mux h ALA 15 Ca 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1mux h ALA 15 Cb 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1mux h ALA 15 CO -0.01 0.57 0.13 0.35 0.00 0.00 0.00 179.25 180.29 1mux h PHE 16 N 0.82 0.90 -0.63 0.00 3.04 -1.10 -2.26 116.94 117.71 1mux h PHE 16 Ca 0.17 -0.09 -0.09 0.00 3.98 0.00 0.00 57.97 61.94 1mux h PHE 16 Cb 0.36 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 1mux h PHE 16 CO 0.02 0.75 0.03 0.77 -2.02 0.00 0.00 178.31 177.86 1mux h SER 17 N 0.83 1.06 -0.22 0.41 0.02 -0.95 -1.98 113.55 112.73 1mux h SER 17 Ca 0.18 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.75 1mux h SER 17 Cb 0.31 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1mux h SER 17 CO -0.00 1.09 -0.16 0.25 -1.14 0.00 0.00 176.83 176.88 1mux h LEU 18 N 1.00 0.63 0.28 5.07 7.12 -1.14 -3.30 115.31 124.98 1mux h LEU 18 Ca 0.18 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1mux h LEU 18 Cb 0.53 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1mux h LEU 18 CO 0.03 0.80 -0.13 -0.26 -0.13 0.00 0.00 178.44 178.75 1mux h PHE 19 N 0.58 -0.34 -2.10 1.25 0.04 -1.18 -3.39 116.94 111.81 1mux h PHE 19 Ca 0.10 -0.01 -0.59 0.00 2.80 0.00 0.00 57.97 60.26 1mux h PHE 19 Cb 0.60 0.11 -0.11 0.00 2.20 0.00 0.00 35.95 38.75 1mux h PHE 19 CO 0.03 -0.21 1.03 0.34 -0.60 0.00 0.00 178.31 178.90 1mux s ASP 20 N -3.66 6.31 -0.63 2.17 -1.08 -0.76 -4.80 116.67 114.22 1mux s ASP 20 Ca -0.05 -1.04 0.02 0.00 -0.52 0.00 0.00 52.55 50.95 1mux s ASP 20 Cb 0.01 -2.51 0.39 0.00 -1.46 0.00 0.00 42.92 39.35 1mux s ASP 20 CO 0.16 -1.57 1.59 2.29 0.52 0.00 0.00 175.17 178.17 1mux n LYS 21 N 8.52 3.09 0.00 4.34 0.00 -1.26 -4.55 118.16 128.30 1mux n LYS 21 Ca 0.12 -3.96 0.00 0.00 -0.00 0.00 0.00 58.31 54.47 1mux n LYS 21 Cb 0.49 -2.26 0.00 0.00 -0.00 0.00 0.00 35.03 33.25 1mux n LYS 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1mux n ASP 22 N -0.55 1.97 0.00 -5.58 5.75 -1.26 -5.11 116.55 111.76 1mux n ASP 22 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 1mux n ASP 22 Cb 0.49 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 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 2.01 0.97 0.00 6.12 0.00 -1.26 -5.07 105.19 107.95 1mux n GLY 23 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.49 1.61 5.75 -1.26 -5.03 116.55 117.13 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 -0.28 0.85 2.91 6.12 0.00 -1.26 -5.05 105.19 108.49 1mux n GLY 25 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.76 -0.60 -0.06 2.61 -4.23 -1.26 -3.67 115.64 105.67 1mux s THR 26 Ca 0.00 -0.14 -0.30 0.00 -1.18 0.00 0.00 61.69 60.08 1mux s THR 26 Cb 0.00 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 1mux s THR 26 CO 0.00 -0.17 1.24 -0.63 -0.54 0.00 0.00 174.62 174.52 1mux s ILE 27 N 2.54 4.17 0.00 2.99 1.01 -0.51 -4.89 121.20 126.51 1mux s ILE 27 Ca 0.12 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.27 1mux s ILE 27 Cb -0.15 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1mux s ILE 27 CO -0.20 -0.02 0.00 0.35 0.00 0.00 0.00 174.94 175.08 1mux n THR 28 N 4.71 0.00 0.04 2.92 -2.24 -1.26 -2.09 114.28 116.35 1mux n THR 28 Ca 0.12 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.87 1mux n THR 28 Cb 0.46 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 1mux n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1mux h THR 29 N 0.00 0.76 0.32 4.28 1.35 -1.95 -3.16 112.91 114.51 1mux h THR 29 Ca 0.00 -2.34 -0.02 0.00 -0.55 0.00 0.00 66.41 63.51 1mux h THR 29 Cb 0.00 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1mux h THR 29 CO 0.00 0.43 -0.15 0.11 -0.25 0.00 0.00 175.52 175.66 1mux h LYS 30 N 0.00 -0.42 -0.72 4.72 1.57 -1.99 -1.26 116.57 118.47 1mux h LYS 30 Ca -0.15 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1mux h LYS 30 Cb 1.67 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 34.03 1mux h LYS 30 CO 0.07 -0.11 0.47 0.93 -0.57 0.00 0.00 179.45 180.24 1mux h GLU 31 N -0.97 0.70 -0.08 3.15 5.08 -1.90 0.14 114.58 120.70 1mux h GLU 31 Ca -0.04 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1mux h GLU 31 Cb 0.50 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1mux h GLU 31 CO 0.07 0.46 -0.42 1.25 -1.00 0.00 0.00 179.01 179.38 1mux h LEU 32 N 0.72 0.18 -0.64 1.33 5.85 -1.53 -1.79 115.31 119.43 1mux h LEU 32 Ca 0.32 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 1mux h LEU 32 Cb 0.31 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1mux h LEU 32 CO -0.11 0.58 0.22 1.23 -0.34 0.00 0.00 178.44 180.02 1mux h GLY 33 N 1.24 1.07 1.70 3.75 0.00 0.27 -0.93 103.07 110.17 1mux h GLY 33 Ca 0.01 -0.62 -0.16 0.00 0.00 0.00 0.00 47.33 46.57 1mux h GLY 33 CO 0.06 0.58 -0.64 -0.84 0.00 0.00 0.00 176.54 175.70 1mux h THR 34 N 0.92 1.38 0.00 4.70 2.02 -1.23 -2.00 112.91 118.71 1mux h THR 34 Ca 0.21 -2.03 -0.08 0.00 0.77 0.00 0.00 66.41 65.28 1mux h THR 34 Cb 0.27 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1mux h THR 34 CO -0.01 0.60 -0.39 0.58 0.37 0.00 0.00 175.52 176.68 1mux h VAL 35 N 0.22 0.98 0.04 3.16 2.07 -0.97 -0.02 116.25 121.73 1mux h VAL 35 Ca -0.01 -1.50 -0.29 0.00 0.82 0.00 0.00 66.70 65.72 1mux h VAL 35 Cb 1.17 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 1mux h VAL 35 CO 0.10 0.38 -1.56 0.24 0.02 0.00 0.00 177.57 176.75 1mux h MET 36 N 0.00 0.08 0.00 1.57 2.86 -1.05 -3.14 114.93 115.25 1mux h MET 36 Ca -0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1mux h MET 36 Cb 0.86 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1mux h MET 36 CO 0.05 0.80 -0.60 -2.13 1.06 0.00 0.00 176.91 176.09 1mux n ARG 37 N -3.24 0.07 -0.01 1.72 0.63 -0.76 0.75 116.66 115.81 1mux n ARG 37 Ca -0.15 0.01 0.05 0.00 -0.92 0.00 0.00 57.85 56.84 1mux n ARG 37 Cb 1.03 -1.53 -0.13 0.00 0.45 0.00 0.00 32.46 32.27 1mux n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1mux n SER 38 N -1.62 0.22 -0.08 6.15 3.41 -0.03 -4.50 113.62 117.17 1mux n SER 38 Ca 0.05 0.09 -0.16 0.00 -0.26 0.00 0.00 58.87 58.59 1mux n SER 38 Cb 0.36 1.33 -0.06 0.00 -0.26 0.00 0.00 64.21 65.57 1mux n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1mux n LEU 39 N -2.51 1.76 -2.86 1.04 4.77 -1.19 -4.97 117.00 113.05 1mux n LEU 39 Ca -0.11 0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 1mux n LEU 39 Cb 0.74 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1mux n LEU 39 CO 0.44 0.48 0.24 -0.83 -1.33 0.00 0.00 177.39 176.39 1mux s GLY 40 N -5.38 -1.44 0.98 -0.72 0.00 -1.02 -5.09 107.32 94.64 1mux s GLY 40 Ca -0.23 0.20 -0.14 0.00 0.00 0.00 0.00 44.72 44.55 1mux s GLY 40 CO 0.32 3.89 0.20 -0.18 0.00 0.00 0.00 173.10 177.34 1mux n GLN 41 N 3.35 -0.42 0.00 2.90 -0.06 0.23 -4.69 117.38 118.69 1mux n GLN 41 Ca 0.13 -0.09 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 1mux n GLN 41 Cb 0.59 -1.74 0.00 0.00 -4.06 0.00 0.00 30.24 25.03 1mux n GLN 41 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1mux n ASN 42 N -0.80 0.00 -2.84 1.69 5.15 -1.26 -4.99 115.26 112.21 1mux n ASN 42 Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 1mux n ASN 42 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 1mux n ASN 42 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1mux n PRO 43 N 0.00 0.58 0.00 1.20 -0.04 -1.26 -5.12 135.00 130.36 1mux n PRO 43 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mux n PRO 43 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1mux n PRO 43 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1mux n THR 44 N -0.80 0.00 -0.12 0.52 5.66 -1.26 -5.02 114.28 113.26 1mux n THR 44 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1mux n THR 44 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 1mux n THR 44 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1mux n GLU 45 N 0.00 0.63 0.08 1.09 1.02 -1.26 -3.72 120.64 118.48 1mux n GLU 45 Ca 0.00 0.25 -0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1mux n GLU 45 Cb 0.00 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 29.78 1mux n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mux h ALA 46 N -0.46 -0.23 -0.01 0.62 0.00 -2.01 -2.68 119.26 114.49 1mux h ALA 46 Ca -0.59 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1mux h ALA 46 Cb 1.73 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1mux h ALA 46 CO -0.23 -0.42 0.05 1.49 0.00 0.00 0.00 179.25 180.14 1mux h GLU 47 N -0.66 0.00 0.14 0.00 4.81 -1.98 -2.23 114.58 114.66 1mux h GLU 47 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1mux h GLU 47 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1mux h GLU 47 CO 0.04 0.00 -0.07 1.25 -0.73 0.00 0.00 179.01 179.50 1mux h LEU 48 N 0.00 -0.16 -0.85 1.64 6.46 -1.57 -1.74 115.31 119.09 1mux h LEU 48 Ca 0.00 -0.39 0.17 0.00 -0.12 0.00 0.00 57.88 57.54 1mux h LEU 48 Cb 0.10 0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 39.97 1mux h LEU 48 CO -0.00 0.38 0.41 -0.61 -0.62 0.00 0.00 178.44 178.00 1mux h GLN 49 N -0.79 0.53 -0.74 1.25 4.15 -1.11 0.25 115.11 118.65 1mux h GLN 49 Ca -0.02 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 1mux h GLN 49 Cb 0.54 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1mux h GLN 49 CO 0.03 0.35 0.23 -0.44 -1.93 0.00 0.00 178.83 177.07 1mux h ASP 50 N 0.54 1.07 0.60 -0.69 5.19 -1.49 -1.11 116.42 120.54 1mux h ASP 50 Ca 0.49 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1mux h ASP 50 Cb 0.77 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1mux h ASP 50 CO -0.41 0.99 0.00 -0.03 -3.12 0.00 0.00 179.24 176.66 1mux h MET 51 N 1.10 0.00 0.00 3.56 4.05 0.37 -2.02 114.93 121.98 1mux h MET 51 Ca 0.24 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.42 1mux h MET 51 Cb 0.30 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 1mux h MET 51 CO -0.01 0.00 -1.27 0.82 0.23 0.00 0.00 176.91 176.68 1mux h ILE 52 N 0.00 1.32 -0.10 1.77 1.08 0.09 -3.35 117.51 118.32 1mux h ILE 52 Ca 0.00 -3.07 -0.07 0.00 -0.39 0.00 0.00 64.86 61.33 1mux h ILE 52 Cb 0.30 2.64 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 1mux h ILE 52 CO 0.00 0.75 -0.21 0.78 -0.69 0.00 0.00 178.15 178.78 1mux h ASN 53 N 0.00 0.35 -0.92 1.72 4.21 -0.74 -2.11 115.58 118.10 1mux h ASN 53 Ca -0.12 -0.57 0.23 0.00 1.21 0.00 0.00 56.30 57.05 1mux h ASN 53 Cb 1.85 -0.10 -0.06 0.00 -1.12 0.00 0.00 38.32 38.88 1mux h ASN 53 CO 0.11 0.86 0.62 1.05 -1.29 0.00 0.00 177.43 178.77 1mux h GLU 54 N -0.14 0.30 0.23 0.81 4.11 -1.65 -0.84 114.58 117.40 1mux h GLU 54 Ca 0.00 -0.02 -0.34 0.00 0.07 0.00 0.00 59.36 59.07 1mux h GLU 54 Cb 0.80 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 30.01 1mux h GLU 54 CO 0.05 0.20 -1.59 0.28 0.07 0.00 0.00 179.01 178.02 1mux h VAL 55 N 0.31 1.15 -3.48 -1.06 2.07 -1.68 -3.43 116.25 110.13 1mux h VAL 55 Ca 0.48 -2.64 -0.56 0.00 0.82 0.00 0.00 66.70 64.79 1mux h VAL 55 Cb 1.35 2.93 -0.06 0.00 -1.52 0.00 0.00 31.29 33.99 1mux h VAL 55 CO -0.15 0.83 0.95 -0.62 0.02 0.00 0.00 177.57 178.60 1mux s ASP 56 N -7.46 6.62 -0.73 0.57 -1.08 -0.32 -4.92 116.67 109.35 1mux s ASP 56 Ca -0.12 0.74 0.02 0.00 -0.52 0.00 0.00 52.55 52.67 1mux s ASP 56 Cb 0.05 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 39.32 1mux s ASP 56 CO 0.91 -1.21 1.49 0.00 0.52 0.00 0.00 175.17 176.88 1mux n ALA 57 N 7.89 5.61 0.05 3.66 0.00 -1.26 -4.63 120.51 131.83 1mux n ALA 57 Ca 0.13 -4.44 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1mux n ALA 57 Cb 0.48 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.33 0.05 0.00 0.00 8.00 -1.26 -5.10 116.55 117.92 1mux n ASP 58 Ca 0.43 0.16 0.00 0.00 0.71 0.00 0.00 54.79 56.09 1mux n ASP 58 Cb 0.38 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 1.93 0.09 2.04 0.44 0.00 -1.26 -5.08 105.19 103.34 1mux n GLY 59 Ca 0.00 -0.55 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 -0.73 0.00 1.61 6.94 -1.26 -5.06 115.26 116.76 1mux n ASN 60 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 1mux n ASN 60 Cb 0.00 0.91 0.00 0.00 -2.36 0.00 0.00 39.78 38.33 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 -0.20 1.11 3.30 4.83 0.00 -1.26 -5.12 105.19 107.86 1mux n GLY 61 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.74 1.99 -0.24 2.61 -4.23 -1.26 -4.81 115.64 107.95 1mux s THR 62 Ca 0.00 -1.17 -0.18 0.00 -1.18 0.00 0.00 61.69 59.16 1mux s THR 62 Cb 0.00 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 1mux s THR 62 CO 0.00 0.47 0.51 -0.63 -0.54 0.00 0.00 174.62 174.43 1mux s ILE 63 N -0.66 5.09 0.00 2.99 1.01 -0.89 -4.91 121.20 123.82 1mux s ILE 63 Ca 0.10 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1mux s ILE 63 Cb -0.10 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1mux s ILE 63 CO 0.00 0.12 0.00 -0.67 0.00 0.00 0.00 174.94 174.39 1mux n ASP 64 N 5.28 0.00 0.03 3.58 2.03 -1.26 -1.43 116.55 124.78 1mux n ASP 64 Ca -0.05 -0.70 -0.19 0.00 0.52 0.00 0.00 54.79 54.38 1mux n ASP 64 Cb 0.50 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.55 0.57 0.00 -0.67 3.57 -1.97 -2.99 116.94 114.91 1mux h PHE 65 Ca 0.00 -0.37 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 1mux h PHE 65 Cb 0.00 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 1mux h PHE 65 CO 0.00 1.25 -0.08 -1.00 -2.23 0.00 0.00 178.31 176.24 1mux h PRO 66 N -0.26 0.00 0.00 6.41 0.13 -1.95 -2.43 132.00 133.91 1mux h PRO 66 Ca -0.12 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.84 1mux h PRO 66 Cb 1.52 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.62 1mux h PRO 66 CO 0.14 0.08 -0.86 0.93 -0.23 0.00 0.00 178.00 178.06 1mux h GLU 67 N 0.00 0.00 0.05 0.86 5.08 -1.94 -2.42 114.58 116.22 1mux h GLU 67 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1mux h GLU 67 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1mux h GLU 67 CO 0.01 0.73 -1.07 0.35 -1.00 0.00 0.00 179.01 178.03 1mux h PHE 68 N 0.00 0.66 0.01 4.33 3.04 -1.31 -1.94 116.94 121.74 1mux h PHE 68 Ca -0.03 -0.40 -0.20 0.00 3.98 0.00 0.00 57.97 61.32 1mux h PHE 68 Cb 1.62 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 40.06 1mux h PHE 68 CO 0.00 1.25 -0.92 1.25 -2.02 0.00 0.00 178.31 177.87 1mux h LEU 69 N 0.20 0.23 0.00 0.59 5.85 -1.51 -2.30 115.31 118.37 1mux h LEU 69 Ca -0.11 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 1mux h LEU 69 Cb 1.74 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1mux h LEU 69 CO 0.19 1.02 -0.46 0.74 -0.34 0.00 0.00 178.44 179.60 1mux h THR 70 N 0.09 0.62 0.10 1.05 2.02 -1.48 -2.43 112.91 112.87 1mux h THR 70 Ca -0.05 -1.89 -0.22 0.00 0.77 0.00 0.00 66.41 65.02 1mux h THR 70 Cb 1.57 2.28 -0.00 0.00 -1.74 0.00 0.00 68.15 70.26 1mux h THR 70 CO 0.14 0.35 -1.09 -0.03 0.37 0.00 0.00 175.52 175.26 1mux h MET 71 N 0.00 0.20 0.00 6.66 1.85 -1.35 -3.35 114.93 118.95 1mux h MET 71 Ca -0.01 -0.35 0.00 0.00 -0.61 0.00 0.00 59.70 58.73 1mux h MET 71 Cb 1.30 0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.46 1mux h MET 71 CO 0.05 1.17 0.00 0.52 -0.40 0.00 0.00 176.91 178.24 1mux h MET 72 N -0.47 0.00 0.23 0.39 2.07 -1.54 -3.28 114.93 112.34 1mux h MET 72 Ca -0.24 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.40 1mux h MET 72 Cb 1.60 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 31.29 1mux h MET 72 CO 0.04 0.00 -0.40 0.00 1.07 0.00 0.00 176.91 177.63 1mux h ALA 73 N 2.34 -0.77 -1.84 6.32 0.00 -1.56 -3.03 119.26 120.74 1mux h ALA 73 Ca 0.00 -0.10 -0.69 0.00 0.00 0.00 0.00 54.91 54.12 1mux h ALA 73 Cb 0.79 0.62 -0.35 0.00 0.00 0.00 0.00 17.79 18.85 1mux h ALA 73 CO 0.00 -0.98 0.13 0.54 0.00 0.00 0.00 179.25 178.94 1mux n ARG 74 N -5.47 4.18 -1.36 0.00 1.74 -1.25 -5.03 116.66 109.47 1mux n ARG 74 Ca -0.08 -4.76 -0.57 0.00 -0.77 0.00 0.00 57.85 51.66 1mux n ARG 74 Cb 0.38 -2.35 -0.10 0.00 -1.02 0.00 0.00 32.46 29.37 1mux n ARG 74 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1mux n LYS 75 N -0.02 0.41 -2.88 5.56 3.00 -1.15 -4.84 118.16 118.24 1mux n LYS 75 Ca 0.37 0.12 -0.43 0.00 -0.00 0.00 0.00 58.31 58.37 1mux n LYS 75 Cb 0.33 -1.85 -0.03 0.00 0.00 0.00 0.00 35.03 33.48 1mux n LYS 75 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1mux s MET 76 N 5.79 3.29 -0.59 1.64 -1.94 -1.26 -4.92 119.30 121.32 1mux s MET 76 Ca 1.15 -1.19 0.05 0.00 -1.71 0.00 0.00 55.69 53.99 1mux s MET 76 Cb -1.27 -4.51 0.19 0.00 2.01 0.00 0.00 34.83 31.25 1mux s MET 76 CO 0.61 -1.81 0.50 1.17 -0.01 0.00 0.00 175.02 175.48 1mux n LYS 77 N 7.29 1.39 -4.05 2.03 4.81 -1.26 -5.08 118.16 123.29 1mux n LYS 77 Ca 0.07 -4.04 -0.13 0.00 -0.87 0.00 0.00 58.31 53.34 1mux n LYS 77 Cb 0.47 -2.02 -0.04 0.00 0.02 0.00 0.00 35.03 33.46 1mux n LYS 77 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1mux s ASP 78 N -1.18 0.58 0.00 3.14 1.01 -1.26 -5.18 116.67 113.78 1mux s ASP 78 Ca 0.30 -1.33 0.00 0.00 0.71 0.00 0.00 52.55 52.23 1mux s ASP 78 Cb 0.03 0.65 0.00 0.00 1.01 0.00 0.00 42.92 44.61 1mux s ASP 78 CO -0.15 -1.28 0.00 0.35 0.21 0.00 0.00 175.17 174.31 1mux n THR 79 N -0.51 0.00 -3.32 -1.27 -2.24 -1.26 -5.07 114.28 100.62 1mux n THR 79 Ca -0.00 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.31 1mux n THR 79 Cb 0.62 -0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 1mux n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mux s ASP 80 N -0.09 6.33 0.42 3.42 2.15 -1.26 -4.71 116.67 122.94 1mux s ASP 80 Ca 0.00 -2.02 0.00 0.00 0.43 0.00 0.00 52.55 50.96 1mux s ASP 80 Cb 0.00 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1mux s ASP 80 CO 0.00 -0.79 0.00 -1.20 -0.17 0.00 0.00 175.17 173.01 1mux n SER 81 N 4.92 -2.85 -3.96 -0.34 7.64 -1.26 -5.08 113.62 112.68 1mux n SER 81 Ca -0.07 0.78 -0.31 0.00 1.01 0.00 0.00 58.87 60.29 1mux n SER 81 Cb 0.42 2.73 -0.15 0.00 -1.01 0.00 0.00 64.21 66.19 1mux n SER 81 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1mux s GLU 82 N -2.00 1.69 0.00 1.43 2.02 -1.26 -4.95 118.70 115.63 1mux s GLU 82 Ca 0.00 -1.11 0.20 0.00 0.02 0.00 0.00 54.97 54.08 1mux s GLU 82 Cb 0.00 -2.66 0.10 0.00 0.10 0.00 0.00 34.13 31.67 1mux s GLU 82 CO 0.00 -0.63 1.07 0.39 0.02 0.00 0.00 175.26 176.11 1mux n GLU 83 N 4.61 1.67 0.11 1.61 4.71 -1.26 -4.41 120.64 127.68 1mux n GLU 83 Ca -0.11 -1.40 -0.19 0.00 -0.01 0.00 0.00 57.16 55.45 1mux n GLU 83 Cb 0.43 -1.37 -0.15 0.00 -1.01 0.00 0.00 31.44 29.34 1mux n GLU 83 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1mux h GLU 84 N 3.24 0.36 -0.77 3.49 5.08 -2.00 -3.29 114.58 120.69 1mux h GLU 84 Ca 0.00 -0.61 0.11 0.00 -1.00 0.00 0.00 59.36 57.86 1mux h GLU 84 Cb 0.76 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 1mux h GLU 84 CO 0.00 1.28 0.50 0.82 -1.00 0.00 0.00 179.01 180.61 1mux h ILE 85 N 0.10 0.91 0.24 3.13 2.04 -2.00 -1.03 117.51 120.89 1mux h ILE 85 Ca -0.19 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1mux h ILE 85 Cb 2.04 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1mux h ILE 85 CO 0.22 0.12 -0.11 -0.09 0.00 0.00 0.00 178.15 178.28 1mux h ARG 86 N 0.64 -0.31 -0.10 2.37 9.65 -1.83 -1.99 114.38 122.81 1mux h ARG 86 Ca 0.36 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.29 1mux h ARG 86 Cb 0.54 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1mux h ARG 86 CO -0.13 -0.05 0.16 0.93 2.80 0.00 0.00 179.97 183.67 1mux h GLU 87 N -0.54 0.00 0.59 0.20 5.08 -1.45 -2.45 114.58 116.01 1mux h GLU 87 Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1mux h GLU 87 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1mux h GLU 87 CO 0.05 0.00 -0.28 0.00 -1.00 0.00 0.00 179.01 177.78 1mux h ALA 88 N 1.78 -0.82 -0.18 3.43 0.00 -0.47 -2.26 119.26 120.75 1mux h ALA 88 Ca 0.05 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1mux h ALA 88 Cb 0.36 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1mux h ALA 88 CO -0.00 -0.76 0.25 0.35 0.00 0.00 0.00 179.25 179.09 1mux h PHE 89 N -1.17 0.00 0.30 0.00 3.57 -1.10 -0.67 116.94 117.87 1mux h PHE 89 Ca -0.08 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1mux h PHE 89 Cb 0.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1mux h PHE 89 CO 0.01 0.00 -0.14 -0.09 -2.23 0.00 0.00 178.31 175.85 1mux h ARG 90 N 0.00 -0.38 0.00 1.11 9.65 -1.29 -0.69 114.38 122.78 1mux h ARG 90 Ca 0.08 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1mux h ARG 90 Cb 0.58 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 1mux h ARG 90 CO -0.00 -0.14 0.00 1.33 2.80 0.00 0.00 179.97 183.95 1mux n VAL 91 N -5.04 0.90 0.63 0.20 0.24 -0.86 -2.46 118.33 111.93 1mux n VAL 91 Ca -0.06 0.23 0.10 0.00 -2.04 0.00 0.00 64.34 62.56 1mux n VAL 91 Cb 0.21 -1.05 -0.13 0.00 -1.47 0.00 0.00 33.84 31.40 1mux n VAL 91 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1mux n PHE 92 N -1.84 0.00 -2.56 6.34 3.72 -0.29 -4.50 117.46 118.32 1mux n PHE 92 Ca 0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.31 1mux n PHE 92 Cb 0.20 -0.16 0.03 0.00 -0.94 0.00 0.00 39.48 38.62 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 -1.72 2.72 -0.63 4.37 2.03 -0.27 -4.55 116.55 118.51 1mux n ASP 93 Ca 0.01 -2.84 0.07 0.00 0.52 0.00 0.00 54.79 52.55 1mux n ASP 93 Cb 0.39 -0.46 0.10 0.00 -0.72 0.00 0.00 41.12 40.43 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 -0.45 1.58 0.14 -0.67 -0.00 -1.06 -4.51 118.16 113.19 1mux n LYS 94 Ca 0.20 -1.62 -0.01 0.00 -0.00 0.00 0.00 58.31 56.89 1mux n LYS 94 Cb 0.82 -1.28 0.22 0.00 -0.00 0.00 0.00 35.03 34.78 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 2.59 0.07 0.00 -5.58 3.04 -1.89 -3.47 116.42 111.19 1mux h ASP 95 Ca 0.00 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1mux h ASP 95 Cb 0.64 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 1mux h ASP 95 CO 0.00 0.59 0.00 0.61 -2.04 0.00 0.00 179.24 178.40 1mux n GLY 96 N 0.01 1.51 0.44 7.15 0.00 -1.26 -5.05 105.19 107.99 1mux n GLY 96 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 1.50 0.00 1.61 2.85 -1.26 -5.05 115.26 114.91 1mux n ASN 97 Ca 0.00 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1mux n ASN 97 Cb 0.00 -0.35 0.00 0.00 1.24 0.00 0.00 39.78 40.67 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 2.34 2.19 3.35 8.20 0.00 -1.26 -5.09 105.19 114.92 1mux n GLY 98 Ca -0.26 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.35 1.63 -0.02 1.61 1.51 -1.26 -4.93 117.35 115.54 1mux s TYR 99 Ca 0.00 -1.11 -0.29 0.00 -1.01 0.00 0.00 57.07 54.66 1mux s TYR 99 Cb 0.00 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 1mux s TYR 99 CO 0.00 -0.24 0.96 0.42 -1.11 0.00 0.00 175.55 175.58 1mux s ILE 100 N -3.63 4.87 0.46 2.71 1.01 -0.95 -4.84 121.20 120.84 1mux s ILE 100 Ca 0.37 2.00 0.05 0.00 0.00 0.00 0.00 60.65 63.06 1mux s ILE 100 Cb 0.08 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1mux s ILE 100 CO 0.13 0.14 0.05 -0.55 0.00 0.00 0.00 174.94 174.72 1mux s SER 101 N 1.01 4.10 0.17 3.58 0.15 -1.26 -2.58 113.70 118.87 1mux s SER 101 Ca 0.50 -1.44 -0.08 0.00 0.70 0.00 0.00 55.95 55.63 1mux s SER 101 Cb -0.20 0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.18 1mux s SER 101 CO 0.25 -0.67 1.53 0.00 1.20 0.00 0.00 173.24 175.56 1mux h ALA 102 N 1.49 0.69 -0.29 5.45 0.00 -1.93 -2.19 119.26 122.49 1mux h ALA 102 Ca -0.43 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 1mux h ALA 102 Cb 1.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1mux h ALA 102 CO 0.75 0.67 0.14 0.00 0.00 0.00 0.00 179.25 180.81 1mux h ALA 103 N 0.90 0.37 0.38 0.00 0.00 -1.98 -2.46 119.26 116.47 1mux h ALA 103 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1mux h ALA 103 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1mux h ALA 103 CO 0.08 -0.07 -0.18 0.93 0.00 0.00 0.00 179.25 180.01 1mux h GLU 104 N 0.33 -0.49 -1.13 0.00 5.08 -1.91 -2.37 114.58 114.09 1mux h GLU 104 Ca 0.10 0.03 0.31 0.00 -1.00 0.00 0.00 59.36 58.81 1mux h GLU 104 Cb 0.12 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 1mux h GLU 104 CO -0.01 -0.27 0.75 1.25 -1.00 0.00 0.00 179.01 179.74 1mux h LEU 105 N -0.61 0.28 -0.19 1.33 6.46 -1.34 0.17 115.31 121.42 1mux h LEU 105 Ca -0.05 0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.66 1mux h LEU 105 Cb 0.45 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1mux h LEU 105 CO 0.09 0.02 -0.31 -0.09 -0.62 0.00 0.00 178.44 177.53 1mux h ARG 106 N 0.23 0.54 0.00 1.25 2.43 -0.95 -2.56 114.38 115.32 1mux h ARG 106 Ca 0.62 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1mux h ARG 106 Cb 1.89 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1mux h ARG 106 CO -0.22 0.93 0.00 0.72 -1.51 0.00 0.00 179.97 179.89 1mux n HIS 107 N -4.35 0.07 -0.09 2.20 8.25 0.51 -1.47 115.22 120.35 1mux n HIS 107 Ca -0.06 0.03 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 1mux n HIS 107 Cb 0.48 -0.54 -0.05 0.00 1.12 0.00 0.00 29.99 31.00 1mux n HIS 107 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1mux n VAL 108 N -1.56 1.46 0.19 1.59 0.31 -0.63 -3.75 118.33 115.94 1mux n VAL 108 Ca 0.03 0.11 0.05 0.00 -0.01 0.00 0.00 64.34 64.52 1mux n VAL 108 Cb 0.17 -2.27 0.34 0.00 -0.91 0.00 0.00 33.84 31.17 1mux n VAL 108 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1mux h MET 109 N -1.00 0.00 -0.32 5.55 2.86 -1.51 -2.37 114.93 118.14 1mux h MET 109 Ca -0.13 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.39 1mux h MET 109 Cb 0.84 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1mux h MET 109 CO -0.08 0.39 -0.26 1.15 1.06 0.00 0.00 176.91 179.17 1mux h THR 110 N 0.00 1.29 -0.02 2.22 2.02 -1.23 0.00 112.91 117.20 1mux h THR 110 Ca -0.00 -1.42 -0.20 0.00 0.77 0.00 0.00 66.41 65.56 1mux h THR 110 Cb 0.87 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1mux h THR 110 CO 0.05 0.46 -0.84 0.78 0.37 0.00 0.00 175.52 176.34 1mux h ASN 111 N 0.51 0.40 -0.19 4.18 4.21 -1.63 -3.14 115.58 119.92 1mux h ASN 111 Ca 0.06 -0.30 -0.01 0.00 1.21 0.00 0.00 56.30 57.26 1mux h ASN 111 Cb 0.83 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 1mux h ASN 111 CO 0.07 1.08 0.11 -0.07 -1.29 0.00 0.00 177.43 177.32 1mux h LEU 112 N 0.20 0.25 0.00 1.61 3.38 -1.40 -3.45 115.31 115.90 1mux h LEU 112 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1mux h LEU 112 Cb 1.45 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1mux h LEU 112 CO 0.14 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1mux n GLY 113 N -1.41 0.93 3.74 0.83 0.00 -1.11 -5.11 105.19 103.06 1mux n GLY 113 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1mux n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mux s GLU 114 N 0.00 4.50 -0.27 1.61 0.41 -0.03 -4.99 118.70 119.93 1mux s GLU 114 Ca 0.00 1.07 -0.10 0.00 -0.41 0.00 0.00 54.97 55.53 1mux s GLU 114 Cb 0.00 -3.36 -0.04 0.00 -1.78 0.00 0.00 34.13 28.94 1mux s GLU 114 CO 0.00 0.28 0.16 0.21 -0.49 0.00 0.00 175.26 175.42 1mux s LYS 115 N -0.05 3.88 0.52 1.61 2.20 -1.26 -3.23 119.74 123.41 1mux s LYS 115 Ca 0.39 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 1mux s LYS 115 Cb -0.21 -3.57 -0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1mux s LYS 115 CO 0.23 -0.17 0.05 -0.51 -0.36 0.00 0.00 175.35 174.59 1mux s LEU 116 N 1.69 2.28 0.46 5.43 1.02 -1.26 -5.08 118.68 123.22 1mux s LEU 116 Ca 0.07 -1.64 0.03 0.00 0.02 0.00 0.00 54.13 52.61 1mux s LEU 116 Cb -0.16 -0.76 -0.03 0.00 0.02 0.00 0.00 46.19 45.26 1mux s LEU 116 CO 0.09 -0.92 0.03 -0.89 0.02 0.00 0.00 176.35 174.68 1mux s THR 117 N -2.88 1.23 0.02 5.49 2.01 -1.26 -5.02 115.64 115.23 1mux s THR 117 Ca 0.06 -2.00 -0.25 0.00 0.31 0.00 0.00 61.69 59.81 1mux s THR 117 Cb 0.00 -2.42 -0.17 0.00 0.01 0.00 0.00 72.50 69.92 1mux s THR 117 CO 0.04 0.00 1.41 0.44 -0.69 0.00 0.00 174.62 175.81 1mux h ASP 118 N 1.58 -0.16 -0.21 3.53 5.19 -2.01 -2.36 116.42 121.98 1mux h ASP 118 Ca -0.42 -0.22 -0.06 0.00 -0.62 0.00 0.00 57.03 55.71 1mux h ASP 118 Cb 1.29 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.82 1mux h ASP 118 CO 0.72 0.13 -0.06 -0.33 -3.12 0.00 0.00 179.24 176.58 1mux h GLU 119 N -0.47 0.55 -0.37 3.56 5.08 -1.99 -2.34 114.58 118.60 1mux h GLU 119 Ca -0.02 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1mux h GLU 119 Cb 0.37 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1mux h GLU 119 CO 0.03 0.62 0.21 0.93 -1.00 0.00 0.00 179.01 179.80 1mux h GLU 120 N 0.51 0.51 0.53 2.33 4.39 -1.94 -1.23 114.58 119.68 1mux h GLU 120 Ca 0.10 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1mux h GLU 120 Cb 0.43 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1mux h GLU 120 CO 0.02 0.41 -0.25 0.28 -1.16 0.00 0.00 179.01 178.30 1mux h VAL 121 N 0.47 0.41 -0.54 3.13 2.07 -1.21 -2.36 116.25 118.22 1mux h VAL 121 Ca 0.13 -0.30 0.16 0.00 0.82 0.00 0.00 66.70 67.51 1mux h VAL 121 Cb 0.04 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1mux h VAL 121 CO -0.02 0.04 0.55 -0.78 0.02 0.00 0.00 177.57 177.38 1mux h ASP 122 N -0.91 0.00 0.15 0.57 1.82 -1.37 -1.00 116.42 115.68 1mux h ASP 122 Ca -0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1mux h ASP 122 Cb 0.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1mux h ASP 122 CO 0.12 0.00 -0.07 -0.08 -1.61 0.00 0.00 179.24 177.60 1mux h GLU 123 N 0.00 -0.19 -0.25 0.28 4.81 -0.70 -1.70 114.58 116.82 1mux h GLU 123 Ca 0.26 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1mux h GLU 123 Cb 1.35 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 1mux h GLU 123 CO -0.00 0.23 0.10 0.52 -0.73 0.00 0.00 179.01 179.12 1mux h MET 124 N -0.71 0.22 0.00 1.92 2.86 -0.89 -0.91 114.93 117.42 1mux h MET 124 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1mux h MET 124 Cb 0.51 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 1mux h MET 124 CO 0.03 0.14 -0.04 0.82 1.06 0.00 0.00 176.91 178.93 1mux h ILE 125 N 0.22 0.95 -0.53 -1.22 1.08 -1.47 -1.85 117.51 114.69 1mux h ILE 125 Ca 0.11 -0.14 -0.10 0.00 -0.39 0.00 0.00 64.86 64.34 1mux h ILE 125 Cb 0.06 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 1mux h ILE 125 CO -0.10 0.04 -0.05 -0.09 -0.69 0.00 0.00 178.15 177.26 1mux h ARG 126 N 0.00 0.98 0.00 2.37 2.43 -0.20 -1.48 114.38 118.48 1mux h ARG 126 Ca -0.00 -0.34 -0.09 0.00 -0.81 0.00 0.00 59.98 58.74 1mux h ARG 126 Cb 0.08 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1mux h ARG 126 CO 0.01 1.01 -0.44 0.93 -1.51 0.00 0.00 179.97 179.97 1mux h GLU 127 N 0.85 0.00 0.00 0.20 4.39 -0.79 -2.91 114.58 116.32 1mux h GLU 127 Ca 0.14 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.74 1mux h GLU 127 Cb 0.60 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1mux h GLU 127 CO 0.04 0.44 -0.53 0.00 -1.16 0.00 0.00 179.01 177.80 1mux h ALA 128 N 1.56 0.67 -0.89 3.43 0.00 -1.16 -3.42 119.26 119.45 1mux h ALA 128 Ca -0.00 -0.47 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 1mux h ALA 128 Cb 0.86 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1mux h ALA 128 CO 0.06 0.64 0.89 0.34 0.00 0.00 0.00 179.25 181.17 1mux s ASP 129 N -6.44 5.21 -0.00 0.00 2.15 -0.58 -4.74 116.67 112.27 1mux s ASP 129 Ca 0.04 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.54 1mux s ASP 129 Cb 0.08 -2.55 -0.26 0.00 -0.30 0.00 0.00 42.92 39.88 1mux s ASP 129 CO 0.75 -2.63 0.83 0.40 -0.17 0.00 0.00 175.17 174.35 1mux h ILE 130 N 7.16 1.12 0.00 4.11 2.04 -1.85 -3.34 117.51 126.74 1mux h ILE 130 Ca 0.02 -2.81 -0.14 0.00 1.00 0.00 0.00 64.86 62.93 1mux h ILE 130 Cb 1.04 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 39.79 1mux h ILE 130 CO 1.22 0.78 -0.99 -2.24 0.00 0.00 0.00 178.15 176.92 1mux h ASP 131 N 0.05 0.00 -1.51 1.72 3.04 -1.95 -3.49 116.42 114.28 1mux h ASP 131 Ca -0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 1mux h ASP 131 Cb 1.99 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.28 1mux h ASP 131 CO 0.14 0.58 0.00 0.61 -2.04 0.00 0.00 179.24 178.53 1mux n GLY 132 N 1.32 0.22 0.00 7.15 0.00 -1.26 -4.93 105.19 107.69 1mux n GLY 132 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.46 0.72 0.00 1.61 8.00 -1.26 -5.04 116.55 120.12 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 0.21 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.73 1.24 3.26 0.44 0.00 -1.26 -5.11 105.19 105.49 1mux n GLY 134 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1mux n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mux s GLN 135 N 0.00 1.07 -0.30 1.61 1.03 -1.26 -4.77 119.66 117.04 1mux s GLN 135 Ca 0.00 -1.15 -0.01 0.00 0.04 0.00 0.00 55.36 54.24 1mux s GLN 135 Cb 0.00 -1.22 0.05 0.00 0.03 0.00 0.00 33.01 31.87 1mux s GLN 135 CO 0.00 0.28 -0.00 0.08 -2.54 0.00 0.00 175.29 173.10 1mux s VAL 136 N -1.36 2.92 0.00 3.63 1.01 -1.07 -4.81 120.40 120.72 1mux s VAL 136 Ca 0.06 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1mux s VAL 136 Cb -0.09 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1mux s VAL 136 CO 0.04 -0.13 0.00 -0.46 0.00 0.00 0.00 175.10 174.55 1mux n ASN 137 N 4.60 0.00 -0.14 3.32 6.94 -1.26 -2.23 115.26 126.49 1mux n ASN 137 Ca -0.13 -0.77 -0.09 0.00 -0.02 0.00 0.00 54.58 53.58 1mux n ASN 137 Cb 0.43 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1mux n ASN 137 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1mux h TYR 138 N -0.68 0.59 0.59 -2.53 5.03 -1.99 -2.04 116.97 115.95 1mux h TYR 138 Ca 0.00 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.26 1mux h TYR 138 Cb 0.00 -0.19 0.01 0.00 1.55 0.00 0.00 36.73 38.10 1mux h TYR 138 CO 0.00 0.48 -0.29 1.49 -1.32 0.00 0.00 178.16 178.52 1mux h GLU 139 N 0.53 -0.77 -0.12 1.82 4.81 -2.00 -2.06 114.58 116.79 1mux h GLU 139 Ca 0.14 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1mux h GLU 139 Cb 0.10 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1mux h GLU 139 CO -0.02 -0.47 0.17 0.93 -0.73 0.00 0.00 179.01 178.89 1mux h GLU 140 N -0.93 0.00 0.09 1.92 5.08 -1.88 -1.25 114.58 117.61 1mux h GLU 140 Ca -0.08 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.02 1mux h GLU 140 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1mux h GLU 140 CO 0.13 0.00 -1.14 0.35 -1.00 0.00 0.00 179.01 177.35 1mux h PHE 141 N 0.00 0.52 0.00 4.33 3.57 -0.98 -2.21 116.94 122.17 1mux h PHE 141 Ca 0.06 -0.35 -0.07 0.00 3.53 0.00 0.00 57.97 61.14 1mux h PHE 141 Cb 0.40 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1mux h PHE 141 CO 0.00 1.23 -0.58 0.28 -2.23 0.00 0.00 178.31 177.01 1mux h VAL 142 N 0.12 0.43 0.00 1.41 2.07 -0.57 -3.32 116.25 116.39 1mux h VAL 142 Ca -0.12 -1.65 -0.11 0.00 0.82 0.00 0.00 66.70 65.64 1mux h VAL 142 Cb 1.84 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.70 1mux h VAL 142 CO 0.19 0.25 -1.46 0.00 0.02 0.00 0.00 177.57 176.56 1mux n GLN 143 N -3.06 0.63 0.27 1.57 1.13 -0.67 -4.00 117.38 113.25 1mux n GLN 143 Ca 0.00 0.11 0.16 0.00 -1.94 0.00 0.00 57.00 55.33 1mux n GLN 143 Cb 0.67 -1.74 0.62 0.00 0.11 0.00 0.00 30.24 29.89 1mux n GLN 143 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mux h MET 144 N 0.00 0.00 0.00 -1.09 -0.00 -1.49 -2.52 114.93 109.82 1mux h MET 144 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 1mux h MET 144 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.97 1mux h MET 144 CO 0.02 0.01 0.00 -1.33 -0.00 0.00 0.00 176.91 175.62 1mux n MET 145 N -3.11 0.00 -0.07 -0.10 2.81 -1.25 -4.14 117.12 111.25 1mux n MET 145 Ca 0.01 0.36 0.25 0.00 -1.81 0.00 0.00 57.70 56.51 1mux n MET 145 Cb 0.34 -0.86 0.72 0.00 -0.71 0.00 0.00 33.22 32.70 1mux n MET 145 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1mux h THR 146 N 0.00 0.49 -6.45 2.03 1.35 -1.70 -3.44 112.91 105.18 1mux h THR 146 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 66.41 65.35 1mux h THR 146 Cb 0.00 0.58 -0.13 0.00 -1.73 0.00 0.00 68.15 66.88 1mux h THR 146 CO 0.00 0.00 -0.78 0.00 -0.25 0.00 0.00 175.52 174.49 1mux n ALA 147 N -2.57 -1.24 -1.33 6.62 0.00 -0.95 -5.13 120.51 115.91 1mux n ALA 147 Ca 0.14 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1mux n ALA 147 Cb 0.83 -3.90 0.00 0.00 0.00 0.00 0.00 19.45 16.38 1mux n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67