#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 0.10 -0.03 0.00 -1.08 -1.26 -5.05 116.67 109.35 1mux s ASP 2 Ca 0.00 0.34 -0.07 0.00 -0.52 0.00 0.00 52.55 52.30 1mux s ASP 2 Cb 0.00 1.20 -0.03 0.00 -1.46 0.00 0.00 42.92 42.63 1mux s ASP 2 CO 0.00 -0.29 -0.14 0.00 0.52 0.00 0.00 175.17 175.26 1mux n GLN 3 N 5.37 0.21 0.00 4.34 1.13 -1.26 -5.10 117.38 122.08 1mux n GLN 3 Ca -0.04 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1mux n GLN 3 Cb 0.50 -0.87 0.00 0.00 0.11 0.00 0.00 30.24 29.98 1mux n GLN 3 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1mux n LEU 4 N -3.81 0.00 -4.58 1.08 -0.00 -1.26 -5.11 117.00 103.32 1mux n LEU 4 Ca -0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.64 1mux n LEU 4 Cb 0.28 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 43.92 1mux n LEU 4 CO 0.07 0.00 0.58 0.28 -0.00 0.00 0.00 177.39 178.32 1mux s THR 5 N 1.74 2.08 -1.04 1.47 -1.32 -1.26 -4.93 115.64 112.38 1mux s THR 5 Ca 0.00 0.02 0.26 0.00 -1.21 0.00 0.00 61.69 60.76 1mux s THR 5 Cb 0.00 -2.26 0.06 0.00 -1.51 0.00 0.00 72.50 68.78 1mux s THR 5 CO 0.00 -0.03 1.50 -1.84 -2.21 0.00 0.00 174.62 172.04 1mux n GLU 6 N -4.58 0.04 0.19 7.08 0.28 -1.26 -3.92 120.64 118.48 1mux n GLU 6 Ca 0.04 -0.02 -0.08 0.00 -0.16 0.00 0.00 57.16 56.94 1mux n GLU 6 Cb 0.55 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.89 1mux n GLU 6 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1mux h GLU 7 N 0.06 -0.49 -1.01 3.44 4.81 -2.00 -1.27 114.58 118.12 1mux h GLU 7 Ca 0.00 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1mux h GLU 7 Cb 0.50 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.91 1mux h GLU 7 CO 0.00 -0.33 0.64 1.96 -0.73 0.00 0.00 179.01 180.55 1mux h GLN 8 N -0.65 1.00 -0.85 1.92 4.20 -1.98 0.85 115.11 119.61 1mux h GLN 8 Ca -0.05 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.68 1mux h GLN 8 Cb 0.39 -0.23 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 1mux h GLN 8 CO 0.09 0.66 0.55 0.82 -0.67 0.00 0.00 178.83 180.28 1mux h ILE 9 N 1.03 1.01 -0.61 2.54 2.04 -1.66 -0.75 117.51 121.10 1mux h ILE 9 Ca 0.49 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 1mux h ILE 9 Cb 0.43 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1mux h ILE 9 CO -0.25 0.16 0.32 0.00 0.00 0.00 0.00 178.15 178.38 1mux h ALA 10 N 1.55 0.79 -0.59 1.87 0.00 0.41 0.15 119.26 123.43 1mux h ALA 10 Ca 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1mux h ALA 10 Cb 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1mux h ALA 10 CO -0.15 0.33 0.27 0.93 0.00 0.00 0.00 179.25 180.63 1mux h GLU 11 N 0.84 0.84 0.00 0.00 5.08 -0.87 -0.92 114.58 119.55 1mux h GLU 11 Ca 0.21 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1mux h GLU 11 Cb 0.08 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1mux h GLU 11 CO -0.03 0.66 -0.01 0.74 -1.00 0.00 0.00 179.01 179.38 1mux h PHE 12 N 0.84 0.00 0.08 4.33 0.04 -0.65 -2.71 116.94 118.87 1mux h PHE 12 Ca 0.21 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.73 1mux h PHE 12 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1mux h PHE 12 CO 0.01 0.01 -1.14 0.87 -0.60 0.00 0.00 178.31 177.46 1mux h LYS 13 N 0.00 0.20 -0.10 1.51 1.79 0.32 -1.75 116.57 118.54 1mux h LYS 13 Ca -0.00 -0.32 -0.24 0.00 -2.18 0.00 0.00 60.65 57.91 1mux h LYS 13 Cb 0.81 0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1mux h LYS 13 CO 0.00 1.14 -0.87 0.93 -1.08 0.00 0.00 179.45 179.57 1mux h GLU 14 N 0.06 0.77 -0.03 3.15 5.08 -1.21 -1.87 114.58 120.53 1mux h GLU 14 Ca -0.09 -0.69 -0.04 0.00 -1.00 0.00 0.00 59.36 57.54 1mux h GLU 14 Cb 1.87 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1mux h GLU 14 CO 0.18 1.28 -0.12 0.00 -1.00 0.00 0.00 179.01 179.35 1mux h ALA 15 N 0.50 0.06 -0.49 3.43 0.00 -1.56 -1.66 119.26 119.54 1mux h ALA 15 Ca -0.08 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1mux h ALA 15 Cb 1.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1mux h ALA 15 CO 0.18 -0.04 0.33 0.35 0.00 0.00 0.00 179.25 180.07 1mux h PHE 16 N -0.43 0.51 -0.20 0.00 3.57 -1.40 -1.24 116.94 117.74 1mux h PHE 16 Ca -0.01 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.32 1mux h PHE 16 Cb 0.75 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1mux h PHE 16 CO 0.14 0.29 -0.63 1.03 -2.23 0.00 0.00 178.31 176.91 1mux h SER 17 N 0.52 0.83 0.47 0.41 0.87 -1.27 -2.33 113.55 113.06 1mux h SER 17 Ca 0.20 -0.48 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 1mux h SER 17 Cb 0.15 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1mux h SER 17 CO -0.05 1.26 -0.12 0.25 -0.53 0.00 0.00 176.83 177.64 1mux h LEU 18 N 0.54 0.00 0.00 2.23 7.12 -0.27 -3.23 115.31 121.70 1mux h LEU 18 Ca -0.01 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 1mux h LEU 18 Cb 1.23 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.36 1mux h LEU 18 CO 0.13 0.12 -0.12 -0.26 -0.13 0.00 0.00 178.44 178.18 1mux h PHE 19 N 0.00 0.00 -1.91 1.25 0.04 -1.12 -3.42 116.94 111.78 1mux h PHE 19 Ca -0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 1mux h PHE 19 Cb 0.39 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.47 1mux h PHE 19 CO 0.00 0.08 1.18 0.34 -0.60 0.00 0.00 178.31 179.31 1mux s ASP 20 N -5.64 5.90 -0.57 2.17 -1.08 -0.90 -4.60 116.67 111.95 1mux s ASP 20 Ca -0.04 -0.43 0.02 0.00 -0.52 0.00 0.00 52.55 51.57 1mux s ASP 20 Cb 0.00 -2.55 0.41 0.00 -1.46 0.00 0.00 42.92 39.32 1mux s ASP 20 CO 0.09 -2.00 1.56 2.29 0.52 0.00 0.00 175.17 177.63 1mux n LYS 21 N 9.21 3.13 0.00 4.34 0.00 -1.26 -4.55 118.16 129.02 1mux n LYS 21 Ca 0.16 -3.94 0.00 0.00 -0.00 0.00 0.00 58.31 54.53 1mux n LYS 21 Cb 0.50 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.26 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 -0.62 1.79 0.00 -5.58 5.75 -1.26 -5.10 116.55 111.53 1mux n ASP 22 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 1mux n ASP 22 Cb 0.59 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 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 1.73 0.76 1.05 6.12 0.00 -1.26 -5.07 105.19 108.51 1mux n GLY 23 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 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 -1.42 0.87 3.53 6.12 0.00 -1.26 -5.05 105.19 107.97 1mux n GLY 25 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 2.12 -0.13 2.61 -4.23 -1.26 -3.07 115.64 109.67 1mux s THR 26 Ca 0.00 -2.18 -0.01 0.00 -1.18 0.00 0.00 61.69 58.32 1mux s THR 26 Cb 0.00 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1mux s THR 26 CO 0.00 -0.21 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.14 1mux s ILE 27 N -2.69 3.29 0.51 2.99 1.01 -0.84 -4.78 121.20 120.69 1mux s ILE 27 Ca 0.32 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1mux s ILE 27 Cb 0.03 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1mux s ILE 27 CO 0.16 0.52 0.21 0.42 0.00 0.00 0.00 174.94 176.24 1mux s THR 28 N 0.32 1.57 0.38 2.92 -4.23 -1.26 -2.15 115.64 113.18 1mux s THR 28 Ca -0.09 -1.73 0.16 0.00 -1.18 0.00 0.00 61.69 58.86 1mux s THR 28 Cb -0.15 -2.29 0.15 0.00 1.34 0.00 0.00 72.50 71.54 1mux s THR 28 CO 0.05 0.00 1.89 0.71 -0.54 0.00 0.00 174.62 176.73 1mux h THR 29 N 1.10 1.08 0.49 3.99 1.35 -1.97 -2.06 112.91 116.88 1mux h THR 29 Ca -0.41 -1.04 -0.02 0.00 -0.55 0.00 0.00 66.41 64.39 1mux h THR 29 Cb 1.30 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1mux h THR 29 CO 0.66 0.28 -0.23 0.11 -0.25 0.00 0.00 175.52 176.09 1mux h LYS 30 N 0.00 -0.63 0.39 4.72 6.56 -1.98 -0.04 116.57 125.58 1mux h LYS 30 Ca -0.00 0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1mux h LYS 30 Cb 0.56 0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.34 1mux h LYS 30 CO 0.04 -0.33 -0.32 0.93 -2.06 0.00 0.00 179.45 177.71 1mux h GLU 31 N -1.03 -0.68 -0.12 3.15 5.08 -1.86 -0.73 114.58 118.39 1mux h GLU 31 Ca -0.07 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1mux h GLU 31 Cb 0.59 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1mux h GLU 31 CO 0.11 -0.46 0.15 1.25 -1.00 0.00 0.00 179.01 179.06 1mux h LEU 32 N -0.71 0.00 -0.46 1.33 5.85 -1.46 -0.77 115.31 119.10 1mux h LEU 32 Ca -0.03 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1mux h LEU 32 Cb 0.62 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1mux h LEU 32 CO -0.02 0.00 0.04 1.23 -0.34 0.00 0.00 178.44 179.35 1mux h GLY 33 N 0.00 0.85 2.00 3.75 0.00 0.53 -2.01 103.07 108.19 1mux h GLY 33 Ca 0.06 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1mux h GLY 33 CO -0.00 0.55 -0.25 -0.84 0.00 0.00 0.00 176.54 176.00 1mux h THR 34 N 0.64 0.50 -0.16 4.70 2.02 -0.76 -1.48 112.91 118.38 1mux h THR 34 Ca 0.13 -1.42 -0.16 0.00 0.77 0.00 0.00 66.41 65.73 1mux h THR 34 Cb 0.45 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1mux h THR 34 CO 0.02 0.25 -0.51 0.58 0.37 0.00 0.00 175.52 176.22 1mux h VAL 35 N 0.00 1.33 0.00 3.16 2.07 -1.02 -2.15 116.25 119.64 1mux h VAL 35 Ca -0.00 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1mux h VAL 35 Cb 1.00 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1mux h VAL 35 CO 0.03 0.55 -0.76 0.23 0.02 0.00 0.00 177.57 177.64 1mux n MET 36 N -4.17 0.30 -0.07 1.57 2.81 -0.79 -3.72 117.12 113.05 1mux n MET 36 Ca -0.07 0.06 -0.05 0.00 -1.81 0.00 0.00 57.70 55.83 1mux n MET 36 Cb 0.60 -1.66 -0.02 0.00 -0.71 0.00 0.00 33.22 31.44 1mux n MET 36 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1mux n ARG 37 N -2.08 0.46 0.11 0.03 0.63 -0.56 -3.22 116.66 112.02 1mux n ARG 37 Ca 0.03 0.51 -0.13 0.00 -0.92 0.00 0.00 57.85 57.34 1mux n ARG 37 Cb 0.44 -1.68 -0.07 0.00 0.45 0.00 0.00 32.46 31.60 1mux n ARG 37 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1mux h SER 38 N -1.00 -0.18 0.44 6.15 0.02 -1.59 0.17 113.55 117.56 1mux h SER 38 Ca -0.00 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1mux h SER 38 Cb 0.54 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1mux h SER 38 CO -0.00 -0.12 -0.47 -0.07 -1.14 0.00 0.00 176.83 175.03 1mux h LEU 39 N -0.19 0.05 -5.05 5.07 4.07 -1.70 -3.40 115.31 114.15 1mux h LEU 39 Ca -0.01 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.79 1mux h LEU 39 Cb 0.16 -0.01 -0.16 0.00 1.08 0.00 0.00 40.66 41.72 1mux h LEU 39 CO 0.02 0.51 -0.46 -0.83 -1.08 0.00 0.00 178.44 176.61 1mux s GLY 40 N -4.35 -1.32 0.10 0.83 0.00 -1.09 -5.08 107.32 96.41 1mux s GLY 40 Ca -0.03 -0.29 -0.34 0.00 0.00 0.00 0.00 44.72 44.06 1mux s GLY 40 CO 0.75 3.72 1.69 -0.18 0.00 0.00 0.00 173.10 179.07 1mux n GLN 41 N 2.99 2.25 0.10 2.90 7.27 0.59 -4.31 117.38 129.16 1mux n GLN 41 Ca 0.17 0.82 0.00 0.00 0.07 0.00 0.00 57.00 58.06 1mux n GLN 41 Cb 0.57 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.60 1mux n GLN 41 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1mux n ASN 42 N 4.50 -1.73 -3.32 1.69 5.15 -1.26 -5.03 115.26 115.26 1mux n ASN 42 Ca 0.18 0.63 0.00 0.00 -0.60 0.00 0.00 54.58 54.80 1mux n ASN 42 Cb 0.30 1.88 0.00 0.00 -0.53 0.00 0.00 39.78 41.43 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 -3.10 0.63 -3.68 1.20 -0.04 -1.26 -5.10 135.00 123.66 1mux n PRO 43 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1mux n PRO 43 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 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 -0.87 0.00 0.03 0.52 5.66 -1.26 -5.03 114.28 113.33 1mux n THR 44 Ca 0.00 -1.45 0.05 0.00 -3.05 0.00 0.00 64.05 59.59 1mux n THR 44 Cb 0.00 0.96 0.45 0.00 -1.55 0.00 0.00 70.33 70.20 1mux n THR 44 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1mux h GLU 45 N 0.00 0.48 0.00 1.09 4.81 -1.98 -0.98 114.58 117.99 1mux h GLU 45 Ca -0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1mux h GLU 45 Cb 1.08 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1mux h GLU 45 CO 0.34 0.31 0.00 0.00 -0.73 0.00 0.00 179.01 178.94 1mux n ALA 46 N -2.48 -0.28 0.04 2.92 0.00 -1.26 -2.13 120.51 117.32 1mux n ALA 46 Ca 0.03 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.68 1mux n ALA 46 Cb 0.07 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.19 1mux n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1mux h GLU 47 N 0.00 0.00 0.75 0.00 5.08 -1.96 -1.08 114.58 117.37 1mux h GLU 47 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1mux h GLU 47 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1mux h GLU 47 CO 0.00 0.00 -0.36 1.25 -1.00 0.00 0.00 179.01 178.90 1mux h LEU 48 N 0.00 -0.86 -1.61 1.33 6.46 -1.08 -2.57 115.31 116.98 1mux h LEU 48 Ca 0.25 0.03 0.25 0.00 -0.12 0.00 0.00 57.88 58.28 1mux h LEU 48 Cb 1.49 0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 41.58 1mux h LEU 48 CO -0.00 -0.48 0.65 -0.61 -0.62 0.00 0.00 178.44 177.38 1mux h GLN 49 N -1.27 0.27 -0.32 1.25 4.15 -0.66 0.83 115.11 119.35 1mux h GLN 49 Ca -0.10 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1mux h GLN 49 Cb 0.78 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 1mux h GLN 49 CO 0.17 0.18 0.18 0.22 -1.93 0.00 0.00 178.83 177.65 1mux h ASP 50 N 0.28 0.41 0.49 -0.69 1.82 -1.25 -1.39 116.42 116.09 1mux h ASP 50 Ca 0.51 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 57.05 1mux h ASP 50 Cb 1.49 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 41.39 1mux h ASP 50 CO -0.16 0.37 -0.07 0.24 -1.61 0.00 0.00 179.24 178.01 1mux h MET 51 N 0.40 0.00 0.00 0.28 2.86 -0.46 -1.61 114.93 116.41 1mux h MET 51 Ca 0.11 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1mux h MET 51 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1mux h MET 51 CO -0.02 0.07 -0.41 0.82 1.06 0.00 0.00 176.91 178.44 1mux h ILE 52 N 0.00 0.54 0.00 -1.22 1.08 -0.72 -3.13 117.51 114.06 1mux h ILE 52 Ca -0.00 -1.77 -0.18 0.00 -0.39 0.00 0.00 64.86 62.51 1mux h ILE 52 Cb 0.33 2.24 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 1mux h ILE 52 CO 0.01 0.31 -1.33 0.78 -0.69 0.00 0.00 178.15 177.23 1mux h ASN 53 N 0.00 0.00 1.39 1.72 4.21 -0.39 -2.93 115.58 119.57 1mux h ASN 53 Ca -0.01 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.42 1mux h ASN 53 Cb 1.26 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.45 1mux h ASN 53 CO 0.04 0.66 -0.38 1.05 -1.29 0.00 0.00 177.43 177.51 1mux h GLU 54 N 0.00 0.00 0.00 0.81 4.11 -1.43 -3.35 114.58 114.72 1mux h GLU 54 Ca -0.16 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.16 1mux h GLU 54 Cb 1.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 1mux h GLU 54 CO 0.06 0.38 -0.82 0.28 0.07 0.00 0.00 179.01 178.98 1mux h VAL 55 N 0.00 0.55 -2.63 -1.06 2.07 -1.65 -3.45 116.25 110.08 1mux h VAL 55 Ca -0.00 -1.65 -0.55 0.00 0.82 0.00 0.00 66.70 65.32 1mux h VAL 55 Cb 1.18 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1mux h VAL 55 CO 0.05 0.19 1.07 -0.62 0.02 0.00 0.00 177.57 178.28 1mux s ASP 56 N -6.30 6.68 -0.37 0.57 -1.08 -1.11 -4.88 116.67 110.17 1mux s ASP 56 Ca -0.21 2.23 0.06 0.00 -0.52 0.00 0.00 52.55 54.11 1mux s ASP 56 Cb 0.04 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.52 1mux s ASP 56 CO 0.42 -0.92 1.66 0.00 0.52 0.00 0.00 175.17 176.85 1mux n ALA 57 N 7.02 4.96 0.00 3.66 0.00 -1.26 -4.64 120.51 130.25 1mux n ALA 57 Ca 0.17 -3.11 -0.03 0.00 0.00 0.00 0.00 53.44 50.48 1mux n ALA 57 Cb 0.43 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.11 1.27 0.00 0.00 8.00 -1.26 -5.06 116.55 118.39 1mux n ASP 58 Ca 0.45 0.19 0.00 0.00 0.71 0.00 0.00 54.79 56.14 1mux n ASP 58 Cb 1.25 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1mux n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mux n GLY 59 N 2.82 0.52 0.17 0.44 0.00 -1.26 -4.99 105.19 102.90 1mux n GLY 59 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 1mux n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1mux h ASN 60 N 0.00 0.00 0.00 1.61 7.08 -1.97 -3.47 115.58 118.83 1mux h ASN 60 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1mux h ASN 60 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1mux h ASN 60 CO 0.00 0.45 0.00 0.61 -2.08 0.00 0.00 177.43 176.41 1mux n GLY 61 N -0.16 2.79 3.78 9.14 0.00 -1.26 -5.02 105.19 114.46 1mux n GLY 61 Ca -0.01 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 3.38 0.52 2.61 -4.23 -1.26 -4.59 115.64 112.07 1mux s THR 62 Ca 0.00 1.03 -0.06 0.00 -1.18 0.00 0.00 61.69 61.48 1mux s THR 62 Cb 0.00 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 1mux s THR 62 CO 0.00 -0.02 0.83 -0.63 -0.54 0.00 0.00 174.62 174.26 1mux s ILE 63 N -1.62 4.61 0.19 2.99 1.01 -0.92 -4.82 121.20 122.64 1mux s ILE 63 Ca 0.62 0.21 0.01 0.00 0.00 0.00 0.00 60.65 61.49 1mux s ILE 63 Cb -0.25 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.46 1mux s ILE 63 CO 0.31 -0.79 0.11 -0.67 0.00 0.00 0.00 174.94 173.90 1mux n ASP 64 N -2.38 1.77 -0.00 3.58 2.03 -1.26 -1.99 116.55 118.30 1mux n ASP 64 Ca 0.02 -1.68 -0.17 0.00 0.52 0.00 0.00 54.79 53.48 1mux n ASP 64 Cb 0.56 0.01 -0.11 0.00 -0.72 0.00 0.00 41.12 40.86 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 0.66 0.55 0.00 -0.67 3.57 -1.95 -2.78 116.94 116.31 1mux h PHE 65 Ca -0.13 -0.29 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 1mux h PHE 65 Cb 0.44 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1mux h PHE 65 CO 0.00 1.10 -0.26 -1.00 -2.23 0.00 0.00 178.31 175.92 1mux h PRO 66 N -0.16 0.00 0.00 6.41 0.13 -1.97 -2.71 132.00 133.70 1mux h PRO 66 Ca -0.06 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.90 1mux h PRO 66 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1mux h PRO 66 CO 0.10 0.26 -0.78 0.93 -0.23 0.00 0.00 178.00 178.28 1mux h GLU 67 N 0.00 0.00 0.02 0.86 5.08 -1.96 -2.39 114.58 116.19 1mux h GLU 67 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mux h GLU 67 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1mux h GLU 67 CO 0.03 0.78 -0.01 0.35 -1.00 0.00 0.00 179.01 179.16 1mux h PHE 68 N 0.00 -0.03 -0.06 4.33 3.04 -1.24 -2.74 116.94 120.24 1mux h PHE 68 Ca -0.01 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.86 1mux h PHE 68 Cb 1.46 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.97 1mux h PHE 68 CO 0.00 0.61 -0.32 1.25 -2.02 0.00 0.00 178.31 177.83 1mux h LEU 69 N -0.71 0.10 -0.28 0.59 6.46 -1.57 -0.29 115.31 119.61 1mux h LEU 69 Ca -0.00 -0.03 -0.17 0.00 -0.12 0.00 0.00 57.88 57.56 1mux h LEU 69 Cb 0.65 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1mux h LEU 69 CO 0.01 0.43 -0.48 0.74 -0.62 0.00 0.00 178.44 178.51 1mux h THR 70 N 0.09 1.29 -0.00 1.05 2.02 -1.48 -2.88 112.91 113.00 1mux h THR 70 Ca 0.01 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1mux h THR 70 Cb 0.62 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1mux h THR 70 CO 0.05 0.54 -0.47 1.15 0.37 0.00 0.00 175.52 177.16 1mux n MET 71 N -4.09 0.10 0.10 6.66 0.00 -1.03 -3.89 117.12 114.98 1mux n MET 71 Ca -0.05 -0.06 0.11 0.00 0.00 0.00 0.00 57.70 57.71 1mux n MET 71 Cb 0.59 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 32.31 1mux n MET 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1mux n MET 72 N -1.39 0.60 0.13 3.17 2.00 -0.13 -3.83 117.12 117.66 1mux n MET 72 Ca 0.06 0.12 0.13 0.00 0.00 0.00 0.00 57.70 58.01 1mux n MET 72 Cb 0.34 -1.82 0.41 0.00 0.00 0.00 0.00 33.22 32.15 1mux n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1mux h ALA 73 N 2.01 1.00 -0.85 3.04 0.00 -1.62 -3.27 119.26 119.57 1mux h ALA 73 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1mux h ALA 73 Cb 0.99 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.54 1mux h ALA 73 CO 0.00 0.00 0.82 -2.13 0.00 0.00 0.00 179.25 177.94 1mux n ARG 74 N -2.36 2.57 -4.36 0.00 0.63 -1.25 -4.94 116.66 106.95 1mux n ARG 74 Ca 0.05 -3.03 -0.24 0.00 -0.92 0.00 0.00 57.85 53.70 1mux n ARG 74 Cb 0.39 -2.19 -0.11 0.00 0.45 0.00 0.00 32.46 31.00 1mux n ARG 74 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1mux s LYS 75 N -3.30 1.36 -0.38 -0.14 2.20 -1.24 -5.11 119.74 113.13 1mux s LYS 75 Ca 0.55 -1.44 -0.08 0.00 -0.36 0.00 0.00 55.97 54.63 1mux s LYS 75 Cb 0.43 -1.52 0.05 0.00 -1.51 0.00 0.00 37.83 35.28 1mux s LYS 75 CO -0.25 0.32 0.19 1.41 -0.36 0.00 0.00 175.35 176.66 1mux s MET 76 N -2.72 2.64 -0.40 4.03 -2.45 -1.26 -4.94 119.30 114.21 1mux s MET 76 Ca 0.17 -1.28 0.06 0.00 -1.25 0.00 0.00 55.69 53.40 1mux s MET 76 Cb -0.07 -3.64 0.70 0.00 1.25 0.00 0.00 34.83 33.07 1mux s MET 76 CO 0.08 -0.79 1.86 0.36 1.05 0.00 0.00 175.02 177.58 1mux n LYS 77 N 4.89 2.81 -0.49 4.11 2.85 -1.26 -4.32 118.16 126.74 1mux n LYS 77 Ca -0.11 -3.05 0.04 0.00 -1.05 0.00 0.00 58.31 54.14 1mux n LYS 77 Cb 0.44 -2.18 0.20 0.00 -0.65 0.00 0.00 35.03 32.84 1mux n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1mux n ASP 78 N -0.77 2.62 -4.46 -5.58 2.03 -1.26 -5.01 116.55 104.12 1mux n ASP 78 Ca 0.52 -3.45 -0.46 0.00 0.52 0.00 0.00 54.79 51.92 1mux n ASP 78 Cb 1.55 -0.54 -0.09 0.00 -0.72 0.00 0.00 41.12 41.32 1mux n ASP 78 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1mux n THR 79 N -1.06 0.06 -3.58 5.18 -1.04 -1.26 -4.86 114.28 107.72 1mux n THR 79 Ca 0.23 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.05 61.56 1mux n THR 79 Cb 0.83 -1.48 -0.06 0.00 -1.82 0.00 0.00 70.33 67.80 1mux n THR 79 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1mux s ASP 80 N 8.72 5.89 1.34 8.00 -1.08 -1.26 -5.07 116.67 133.21 1mux s ASP 80 Ca 1.15 -2.99 -0.17 0.00 -0.52 0.00 0.00 52.55 50.02 1mux s ASP 80 Cb -0.88 -1.98 0.27 0.00 -1.46 0.00 0.00 42.92 38.87 1mux s ASP 80 CO 0.46 -0.39 0.62 -0.24 0.52 0.00 0.00 175.17 176.13 1mux n SER 81 N 3.39 -3.48 -3.65 -0.34 2.88 -1.26 -5.06 113.62 106.10 1mux n SER 81 Ca 0.13 -0.63 -0.04 0.00 -1.33 0.00 0.00 58.87 56.99 1mux n SER 81 Cb 0.40 -0.70 -0.06 0.00 -0.75 0.00 0.00 64.21 63.10 1mux n SER 81 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1mux s GLU 82 N -4.48 0.61 -0.53 -1.46 2.56 -1.26 -5.09 118.70 109.05 1mux s GLU 82 Ca 0.47 1.32 0.05 0.00 0.00 0.00 0.00 54.97 56.81 1mux s GLU 82 Cb -0.08 0.53 0.18 0.00 2.00 0.00 0.00 34.13 36.76 1mux s GLU 82 CO 0.40 -0.18 0.43 -1.91 -0.56 0.00 0.00 175.26 173.43 1mux n GLU 83 N 4.96 0.95 -0.08 4.30 2.13 -1.26 -4.95 120.64 126.70 1mux n GLU 83 Ca -0.15 -3.75 0.21 0.00 0.66 0.00 0.00 57.16 54.13 1mux n GLU 83 Cb 0.53 -1.90 0.66 0.00 0.27 0.00 0.00 31.44 31.00 1mux n GLU 83 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1mux h GLU 84 N 5.36 0.09 0.75 5.31 5.08 -1.99 -2.28 114.58 126.90 1mux h GLU 84 Ca 0.21 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1mux h GLU 84 Cb 0.84 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.07 1mux h GLU 84 CO 0.53 0.06 -0.36 0.82 -1.00 0.00 0.00 179.01 179.06 1mux h ILE 85 N 0.09 0.00 -0.39 3.13 2.04 -2.00 -2.08 117.51 118.30 1mux h ILE 85 Ca 0.33 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 66.03 1mux h ILE 85 Cb 1.17 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.17 1mux h ILE 85 CO -0.03 0.00 -0.13 -0.09 0.00 0.00 0.00 178.15 177.90 1mux h ARG 86 N -1.25 -0.04 -0.92 2.37 2.43 -1.89 0.55 114.38 115.63 1mux h ARG 86 Ca -0.10 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.27 1mux h ARG 86 Cb 0.77 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.22 1mux h ARG 86 CO 0.17 -0.03 0.49 0.93 -1.51 0.00 0.00 179.97 180.02 1mux h GLU 87 N -0.04 0.56 -0.17 0.20 5.08 -1.43 -0.33 114.58 118.46 1mux h GLU 87 Ca 0.19 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1mux h GLU 87 Cb 0.33 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1mux h GLU 87 CO -0.43 0.37 -0.06 0.00 -1.00 0.00 0.00 179.01 177.90 1mux h ALA 88 N 1.65 0.09 -0.23 3.43 0.00 -0.15 -0.43 119.26 123.62 1mux h ALA 88 Ca 0.55 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.59 1mux h ALA 88 Cb 0.93 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1mux h ALA 88 CO -0.44 -0.50 0.18 0.35 0.00 0.00 0.00 179.25 178.85 1mux h PHE 89 N -0.03 0.00 -0.13 0.00 3.57 -0.77 -1.17 116.94 118.42 1mux h PHE 89 Ca 0.09 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1mux h PHE 89 Cb 0.16 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1mux h PHE 89 CO -0.21 0.00 -0.22 -0.09 -2.23 0.00 0.00 178.31 175.56 1mux h ARG 90 N 0.00 0.37 0.00 1.11 9.65 -0.63 -1.54 114.38 123.33 1mux h ARG 90 Ca 0.11 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 1mux h ARG 90 Cb 0.48 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1mux h ARG 90 CO -0.00 0.82 -0.03 -0.39 2.80 0.00 0.00 179.97 183.17 1mux h VAL 91 N -0.04 0.06 0.00 0.20 -1.51 -0.90 -3.10 116.25 110.95 1mux h VAL 91 Ca 0.01 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 1mux h VAL 91 Cb 0.80 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1mux h VAL 91 CO 0.05 0.03 -0.82 -0.26 -1.23 0.00 0.00 177.57 175.34 1mux h PHE 92 N 0.00 0.00 -2.87 5.19 0.04 -1.22 -3.41 116.94 114.67 1mux h PHE 92 Ca -0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.16 1mux h PHE 92 Cb 0.88 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.63 1mux h PHE 92 CO 0.00 0.00 -0.71 -0.51 -0.60 0.00 0.00 178.31 176.49 1mux s ASP 93 N -4.69 3.68 -0.76 2.17 1.11 -0.58 -4.70 116.67 112.90 1mux s ASP 93 Ca 0.03 -3.49 -0.00 0.00 0.18 0.00 0.00 52.55 49.27 1mux s ASP 93 Cb 0.12 -1.22 0.37 0.00 1.07 0.00 0.00 42.92 43.25 1mux s ASP 93 CO 0.76 -0.13 1.83 0.29 1.18 0.00 0.00 175.17 179.10 1mux n LYS 94 N 2.41 2.90 0.00 8.23 5.02 -1.25 -4.52 118.16 130.94 1mux n LYS 94 Ca 0.21 -3.73 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 1mux n LYS 94 Cb 0.39 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1mux n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1mux n ASP 95 N -0.53 0.00 0.00 4.39 5.68 -1.26 -5.10 116.55 119.74 1mux n ASP 95 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 1mux n ASP 95 Cb 0.33 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1mux n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 96 N 1.27 2.15 0.60 6.12 0.00 -1.26 -4.96 105.19 109.10 1mux n GLY 96 Ca 0.00 -0.25 0.43 0.00 0.00 0.00 0.00 46.02 46.20 1mux n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1mux h ASN 97 N 0.00 0.06 0.00 1.61 7.08 -1.99 -3.43 115.58 118.91 1mux h ASN 97 Ca 0.00 0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 1mux h ASN 97 Cb 0.00 0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.26 1mux h ASN 97 CO 0.00 -0.03 0.00 0.61 -2.08 0.00 0.00 177.43 175.93 1mux n GLY 98 N -1.79 2.62 3.74 9.14 0.00 -1.26 -4.99 105.19 112.64 1mux n GLY 98 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.17 3.59 -0.41 1.61 2.02 -1.26 -4.77 117.35 114.96 1mux s TYR 99 Ca 0.00 1.09 -0.29 0.00 -0.37 0.00 0.00 57.07 57.50 1mux s TYR 99 Cb 0.00 -2.64 0.02 0.00 -0.40 0.00 0.00 41.96 38.94 1mux s TYR 99 CO 0.00 0.21 1.17 0.42 -1.57 0.00 0.00 175.55 175.78 1mux s ILE 100 N 0.38 4.24 0.23 2.71 1.01 -0.79 -4.88 121.20 124.11 1mux s ILE 100 Ca 0.31 1.34 -0.00 0.00 0.00 0.00 0.00 60.65 62.29 1mux s ILE 100 Cb -0.17 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 1mux s ILE 100 CO 0.15 -0.78 0.42 -0.55 0.00 0.00 0.00 174.94 174.17 1mux s SER 101 N 2.44 6.37 0.21 3.58 0.15 -1.26 -2.51 113.70 122.67 1mux s SER 101 Ca 0.50 0.39 -0.09 0.00 0.70 0.00 0.00 55.95 57.44 1mux s SER 101 Cb -0.10 -2.00 0.25 0.00 -1.71 0.00 0.00 66.02 62.46 1mux s SER 101 CO 0.27 -0.09 1.78 0.00 1.20 0.00 0.00 173.24 176.40 1mux h ALA 102 N 1.72 0.84 0.32 5.45 0.00 -1.93 -1.91 119.26 123.75 1mux h ALA 102 Ca -0.49 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1mux h ALA 102 Cb 1.20 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1mux h ALA 102 CO 0.66 -0.06 -0.46 0.00 0.00 0.00 0.00 179.25 179.39 1mux h ALA 103 N 1.37 -0.95 -0.99 0.00 0.00 -1.98 -1.40 119.26 115.31 1mux h ALA 103 Ca 0.30 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.26 1mux h ALA 103 Cb 0.27 0.71 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 1mux h ALA 103 CO -0.23 -1.09 0.61 0.93 0.00 0.00 0.00 179.25 179.48 1mux h GLU 104 N -0.83 0.69 -0.84 0.00 5.08 -1.84 0.78 114.58 117.63 1mux h GLU 104 Ca -0.02 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1mux h GLU 104 Cb 0.77 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1mux h GLU 104 CO -0.15 0.46 0.54 1.25 -1.00 0.00 0.00 179.01 180.11 1mux h LEU 105 N 0.71 0.90 -1.44 1.33 6.46 -0.48 0.17 115.31 122.95 1mux h LEU 105 Ca 0.56 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 58.26 1mux h LEU 105 Cb 0.94 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1mux h LEU 105 CO -0.34 0.62 -0.23 -0.09 -0.62 0.00 0.00 178.44 177.79 1mux h ARG 106 N 1.05 0.00 0.00 1.25 2.43 -0.05 -2.37 114.38 116.70 1mux h ARG 106 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1mux h ARG 106 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1mux h ARG 106 CO -0.11 0.23 -0.69 1.58 -1.51 0.00 0.00 179.97 179.46 1mux n HIS 107 N -3.62 0.24 -0.04 2.20 -0.00 -0.26 -3.44 115.22 110.30 1mux n HIS 107 Ca -0.01 0.07 -0.03 0.00 0.46 0.00 0.00 57.72 58.21 1mux n HIS 107 Cb 0.36 -0.41 -0.01 0.00 -0.12 0.00 0.00 29.99 29.81 1mux n HIS 107 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1mux n VAL 108 N -1.80 0.77 0.09 3.57 0.31 0.45 -3.83 118.33 117.89 1mux n VAL 108 Ca 0.04 0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 64.58 1mux n VAL 108 Cb 0.39 -1.98 -0.08 0.00 -0.91 0.00 0.00 33.84 31.27 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 -0.54 -0.15 -0.86 5.55 2.86 -1.67 -1.89 114.93 118.23 1mux h MET 109 Ca 0.00 0.01 0.25 0.00 -2.06 0.00 0.00 59.70 57.90 1mux h MET 109 Cb 0.30 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1mux h MET 109 CO 0.00 -0.05 0.64 1.15 1.06 0.00 0.00 176.91 179.71 1mux h THR 110 N -0.21 0.52 0.07 2.22 2.02 -1.74 -0.94 112.91 114.86 1mux h THR 110 Ca -0.02 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.04 1mux h THR 110 Cb 0.17 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1mux h THR 110 CO 0.03 0.00 -0.53 0.78 0.37 0.00 0.00 175.52 176.17 1mux h ASN 111 N 0.00 0.34 0.00 4.18 4.21 -1.47 -3.38 115.58 119.46 1mux h ASN 111 Ca 0.41 -0.91 0.00 0.00 1.21 0.00 0.00 56.30 57.01 1mux h ASN 111 Cb 1.68 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.77 1mux h ASN 111 CO -0.00 1.22 0.00 0.18 -1.29 0.00 0.00 177.43 177.53 1mux n LEU 112 N -4.30 0.00 0.00 1.61 4.77 -0.37 -4.86 117.00 113.85 1mux n LEU 112 Ca -0.12 0.80 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1mux n LEU 112 Cb 0.68 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1mux n LEU 112 CO 0.44 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1mux n GLY 113 N -0.91 -1.80 2.14 -0.72 0.00 -1.15 -5.13 105.19 97.63 1mux n GLY 113 Ca 0.00 0.72 -0.14 0.00 0.00 0.00 0.00 46.02 46.60 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 0.41 -3.69 1.61 1.02 -1.25 -5.08 120.64 113.65 1mux n GLU 114 Ca 0.00 -2.22 -0.29 0.00 -0.02 0.00 0.00 57.16 54.63 1mux n GLU 114 Cb 0.00 1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 32.91 1mux n GLU 114 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1mux s LYS 115 N -2.94 1.33 0.09 3.49 2.47 -1.26 -4.87 119.74 118.06 1mux s LYS 115 Ca 0.22 -2.12 0.00 0.00 -1.56 0.00 0.00 55.97 52.52 1mux s LYS 115 Cb 0.01 -2.31 -0.00 0.00 -1.46 0.00 0.00 37.83 34.07 1mux s LYS 115 CO 0.16 -1.20 0.02 1.28 0.16 0.00 0.00 175.35 175.76 1mux n LEU 116 N 3.34 0.00 0.00 5.43 4.77 -1.26 -5.17 117.00 124.11 1mux n LEU 116 Ca 0.12 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1mux n LEU 116 Cb 0.36 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1mux n LEU 116 CO 0.23 -0.09 0.00 1.07 -1.33 0.00 0.00 177.39 177.26 1mux n THR 117 N -0.21 0.00 0.10 -5.08 5.66 -1.26 -5.06 114.28 108.42 1mux n THR 117 Ca -0.02 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.75 1mux n THR 117 Cb 0.12 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.75 1mux n THR 117 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1mux h ASP 118 N 0.00 0.68 0.53 1.09 5.19 -2.01 -3.26 116.42 118.63 1mux h ASP 118 Ca 0.00 -0.92 -0.02 0.00 -0.62 0.00 0.00 57.03 55.47 1mux h ASP 118 Cb 0.00 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.29 1mux h ASP 118 CO 0.00 1.55 -0.27 -0.33 -3.12 0.00 0.00 179.24 177.07 1mux h GLU 119 N -0.08 -0.71 -0.98 3.56 5.08 -2.00 -2.02 114.58 117.44 1mux h GLU 119 Ca -0.19 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.40 1mux h GLU 119 Cb 1.89 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 31.21 1mux h GLU 119 CO 0.21 -0.47 0.61 0.93 -1.00 0.00 0.00 179.01 179.29 1mux h GLU 120 N -0.74 0.66 -0.13 2.33 4.39 -1.98 -1.54 114.58 117.57 1mux h GLU 120 Ca -0.07 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 1mux h GLU 120 Cb 0.58 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1mux h GLU 120 CO 0.10 0.44 -0.04 0.28 -1.16 0.00 0.00 179.01 178.63 1mux h VAL 121 N 0.68 1.30 -0.72 3.13 2.07 -1.53 -1.75 116.25 119.42 1mux h VAL 121 Ca 0.54 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 67.11 1mux h VAL 121 Cb 0.95 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 1mux h VAL 121 CO -0.31 0.29 0.48 -0.78 0.02 0.00 0.00 177.57 177.27 1mux h ASP 122 N -0.06 0.68 0.19 0.57 3.58 -0.57 -1.09 116.42 119.72 1mux h ASP 122 Ca 0.03 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.31 1mux h ASP 122 Cb 0.48 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1mux h ASP 122 CO 0.01 0.45 -0.65 -0.08 -2.88 0.00 0.00 179.24 176.09 1mux h GLU 123 N 0.78 0.43 0.89 0.28 4.81 -1.22 -2.45 114.58 118.11 1mux h GLU 123 Ca 0.31 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1mux h GLU 123 Cb 0.22 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1mux h GLU 123 CO -0.10 0.94 -0.48 0.52 -0.73 0.00 0.00 179.01 179.16 1mux h MET 124 N 0.31 -1.21 -0.85 1.92 2.86 -0.28 -1.55 114.93 116.13 1mux h MET 124 Ca -0.02 0.08 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 1mux h MET 124 Cb 1.21 0.28 -0.06 0.00 0.06 0.00 0.00 31.60 33.08 1mux h MET 124 CO 0.11 -0.81 0.52 0.82 1.06 0.00 0.00 176.91 178.61 1mux h ILE 125 N -1.26 1.01 -0.78 -1.22 1.08 -1.52 -1.18 117.51 113.63 1mux h ILE 125 Ca -0.12 -0.32 0.07 0.00 -0.39 0.00 0.00 64.86 64.11 1mux h ILE 125 Cb 0.98 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 1mux h ILE 125 CO 0.17 0.17 0.51 -0.09 -0.69 0.00 0.00 178.15 178.22 1mux h ARG 126 N 0.93 0.77 -0.02 2.37 2.43 -1.22 0.40 114.38 120.04 1mux h ARG 126 Ca 0.38 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1mux h ARG 126 Cb 0.22 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1mux h ARG 126 CO -0.19 0.51 -0.00 0.93 -1.51 0.00 0.00 179.97 179.71 1mux h GLU 127 N 0.80 0.04 -0.00 0.20 5.08 -0.18 -2.85 114.58 117.67 1mux h GLU 127 Ca 0.34 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1mux h GLU 127 Cb 0.31 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1mux h GLU 127 CO -0.12 0.38 -0.00 0.00 -1.00 0.00 0.00 179.01 178.27 1mux n ALA 128 N -2.28 2.61 -2.49 3.43 0.00 -0.93 -4.37 120.51 116.48 1mux n ALA 128 Ca -0.08 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 1mux n ALA 128 Cb 0.20 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1mux n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mux n ASP 129 N -1.11 5.21 -0.08 0.00 2.03 0.14 -4.75 116.55 117.97 1mux n ASP 129 Ca 0.20 -3.11 -0.14 0.00 0.52 0.00 0.00 54.79 52.26 1mux n ASP 129 Cb 0.16 -1.48 -0.05 0.00 -0.72 0.00 0.00 41.12 39.04 1mux n ASP 129 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1mux h ILE 130 N 3.85 1.30 0.00 5.18 3.07 -1.81 -3.05 117.51 126.06 1mux h ILE 130 Ca 0.37 -1.56 0.00 0.00 1.55 0.00 0.00 64.86 65.21 1mux h ILE 130 Cb 0.67 1.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 1mux h ILE 130 CO 1.54 0.50 0.00 -2.24 -1.05 0.00 0.00 178.15 176.90 1mux h ASP 131 N 0.48 0.00 -3.53 2.16 2.03 -1.93 -3.47 116.42 112.16 1mux h ASP 131 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1mux h ASP 131 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1mux h ASP 131 CO 0.09 0.00 -0.07 0.61 -1.03 0.00 0.00 179.24 178.84 1mux n GLY 132 N -0.29 -0.70 0.25 7.15 0.00 -1.15 -5.02 105.19 105.42 1mux n GLY 132 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1mux n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mux n ASP 133 N -0.75 0.00 -2.95 1.61 5.75 -1.26 -5.00 116.55 113.95 1mux n ASP 133 Ca 0.02 -1.34 -0.22 0.00 -0.01 0.00 0.00 54.79 53.23 1mux n ASP 133 Cb 0.27 -0.07 0.03 0.00 -1.03 0.00 0.00 41.12 40.32 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 134 N 0.00 -0.51 3.65 6.12 0.00 -1.26 -4.94 105.19 108.25 1mux n GLY 134 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -5.66 0.74 -0.10 1.61 -2.07 -1.26 -4.66 119.66 108.26 1mux s GLN 135 Ca 0.28 -0.38 -0.01 0.00 -1.82 0.00 0.00 55.36 53.44 1mux s GLN 135 Cb -0.13 0.27 0.03 0.00 -1.09 0.00 0.00 33.01 32.09 1mux s GLN 135 CO 0.35 -0.34 -0.06 0.08 -1.32 0.00 0.00 175.29 174.01 1mux s VAL 136 N -2.84 0.87 0.00 3.63 1.01 -1.05 -4.62 120.40 117.40 1mux s VAL 136 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1mux s VAL 136 Cb 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1mux s VAL 136 CO -0.02 0.34 0.00 -0.46 0.00 0.00 0.00 175.10 174.96 1mux n ASN 137 N 4.96 0.00 0.29 3.32 6.94 -1.26 -1.88 115.26 127.63 1mux n ASN 137 Ca -0.11 -0.51 -0.14 0.00 -0.02 0.00 0.00 54.58 53.80 1mux n ASN 137 Cb 0.50 0.00 -0.07 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 -0.14 -0.71 -0.55 -2.53 5.03 -1.99 -1.99 116.97 114.08 1mux h TYR 138 Ca 0.00 -0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.40 1mux h TYR 138 Cb 0.00 0.24 -0.11 0.00 1.55 0.00 0.00 36.73 38.41 1mux h TYR 138 CO 0.00 -0.39 -0.22 0.93 -1.32 0.00 0.00 178.16 177.15 1mux h GLU 139 N -1.11 -0.09 -0.56 1.82 5.08 -2.00 0.36 114.58 118.08 1mux h GLU 139 Ca -0.08 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1mux h GLU 139 Cb 0.64 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1mux h GLU 139 CO 0.13 -0.06 0.37 0.93 -1.00 0.00 0.00 179.01 179.38 1mux h GLU 140 N -0.09 0.61 -0.19 2.33 5.08 -1.90 -1.09 114.58 119.33 1mux h GLU 140 Ca 0.25 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1mux h GLU 140 Cb 0.49 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1mux h GLU 140 CO -0.61 0.40 -0.14 0.35 -1.00 0.00 0.00 179.01 178.01 1mux h PHE 141 N 0.63 0.33 0.00 4.33 3.04 0.47 -0.56 116.94 125.17 1mux h PHE 141 Ca 0.23 -0.04 -0.09 0.00 3.98 0.00 0.00 57.97 62.04 1mux h PHE 141 Cb 0.12 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 1mux h PHE 141 CO -0.00 0.45 -0.65 0.28 -2.02 0.00 0.00 178.31 176.37 1mux h VAL 142 N 0.29 0.57 0.00 1.41 2.07 -0.19 -3.05 116.25 117.35 1mux h VAL 142 Ca 0.06 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.71 1mux h VAL 142 Cb 0.43 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1mux h VAL 142 CO 0.03 0.33 -0.90 0.00 0.02 0.00 0.00 177.57 177.05 1mux n GLN 143 N -3.09 0.45 0.01 1.57 6.02 -0.78 -3.19 117.38 118.37 1mux n GLN 143 Ca -0.00 0.09 -0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1mux n GLN 143 Cb 0.71 -1.74 -0.11 0.00 1.02 0.00 0.00 30.24 30.12 1mux n GLN 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mux n MET 144 N -2.37 0.63 -0.03 -1.09 0.00 -0.25 -4.49 117.12 109.51 1mux n MET 144 Ca 0.01 0.26 -0.02 0.00 0.00 0.00 0.00 57.70 57.96 1mux n MET 144 Cb 0.50 -1.80 -0.01 0.00 0.00 0.00 0.00 33.22 31.91 1mux n MET 144 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 1mux h MET 145 N 0.00 0.00 -4.56 3.17 1.85 -1.67 -3.47 114.93 110.25 1mux h MET 145 Ca -0.22 0.00 -0.60 0.00 -0.61 0.00 0.00 59.70 58.27 1mux h MET 145 Cb 1.79 0.00 -0.37 0.00 0.43 0.00 0.00 31.60 33.46 1mux h MET 145 CO 0.06 0.00 -0.82 -0.08 -0.40 0.00 0.00 176.91 175.68 1mux s THR 146 N -1.53 1.55 0.00 -0.77 -1.32 -1.19 -5.11 115.64 107.27 1mux s THR 146 Ca -0.06 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1mux s THR 146 Cb 0.01 -1.57 0.00 0.00 -1.51 0.00 0.00 72.50 69.43 1mux s THR 146 CO 0.09 0.28 0.00 0.00 -2.21 0.00 0.00 174.62 172.77 1mux n ALA 147 N 4.74 0.00 -0.45 11.08 0.00 -1.26 -4.46 120.51 130.16 1mux n ALA 147 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1mux n ALA 147 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1mux n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67