#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mux h ASP 2 N 0.00 0.03 -3.99 0.00 1.82 -2.10 -3.46 116.42 108.72 1mux h ASP 2 Ca 0.00 -0.83 -0.36 0.00 -0.39 0.00 0.00 57.03 55.45 1mux h ASP 2 Cb 0.00 -0.01 -0.28 0.00 0.68 0.00 0.00 39.33 39.72 1mux h ASP 2 CO 0.00 0.85 -0.77 -1.58 -1.61 0.00 0.00 179.24 176.14 1mux s GLN 3 N -2.91 0.58 -0.04 0.28 0.74 -1.26 -5.15 119.66 111.91 1mux s GLN 3 Ca -0.18 -0.27 0.07 0.00 0.05 0.00 0.00 55.36 55.03 1mux s GLN 3 Cb -0.01 -0.56 -0.01 0.00 1.10 0.00 0.00 33.01 33.53 1mux s GLN 3 CO 0.69 0.15 -0.25 -0.48 -0.55 0.00 0.00 175.29 174.85 1mux s LEU 4 N -0.20 2.06 0.00 3.68 2.34 -1.26 -4.98 118.68 120.31 1mux s LEU 4 Ca 0.02 -0.49 0.00 0.00 0.06 0.00 0.00 54.13 53.72 1mux s LEU 4 Cb -0.03 -1.36 0.00 0.00 -0.56 0.00 0.00 46.19 44.24 1mux s LEU 4 CO -0.00 0.28 0.00 1.07 -1.06 0.00 0.00 176.35 176.64 1mux n THR 5 N 2.72 0.00 0.14 5.48 5.66 -1.26 -4.94 114.28 122.08 1mux n THR 5 Ca -0.17 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.90 1mux n THR 5 Cb 0.52 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.34 1mux n THR 5 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1mux h GLU 6 N 0.00 0.00 -0.35 1.09 5.08 -2.02 -3.25 114.58 115.13 1mux h GLU 6 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1mux h GLU 6 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1mux h GLU 6 CO 0.00 0.23 0.28 1.49 -1.00 0.00 0.00 179.01 180.01 1mux h GLU 7 N 0.00 0.00 -0.45 2.33 4.81 -1.94 -0.07 114.58 119.26 1mux h GLU 7 Ca -0.03 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1mux h GLU 7 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1mux h GLU 7 CO 0.03 0.00 -0.07 1.96 -0.73 0.00 0.00 179.01 180.21 1mux h GLN 8 N 0.00 0.85 -0.47 1.92 4.20 -1.95 -2.06 115.11 117.61 1mux h GLN 8 Ca 0.17 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1mux h GLN 8 Cb 0.73 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1mux h GLN 8 CO -0.00 0.93 0.28 0.82 -0.67 0.00 0.00 178.83 180.20 1mux h ILE 9 N 0.69 1.14 -0.70 2.54 2.04 -1.20 -2.33 117.51 119.69 1mux h ILE 9 Ca 0.12 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1mux h ILE 9 Cb 0.59 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1mux h ILE 9 CO 0.04 0.14 0.42 0.00 0.00 0.00 0.00 178.15 178.75 1mux h ALA 10 N 1.14 0.89 -0.61 1.87 0.00 -1.36 -2.40 119.26 118.79 1mux h ALA 10 Ca 0.17 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1mux h ALA 10 Cb -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 1mux h ALA 10 CO -0.03 0.36 0.28 1.49 0.00 0.00 0.00 179.25 181.35 1mux h GLU 11 N 0.95 0.49 0.00 0.00 4.81 -0.91 -2.04 114.58 117.88 1mux h GLU 11 Ca 0.25 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1mux h GLU 11 Cb -0.03 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1mux h GLU 11 CO -0.05 0.32 -0.12 0.74 -0.73 0.00 0.00 179.01 179.18 1mux h PHE 12 N 0.50 -0.31 -0.92 0.92 0.04 -0.94 -1.19 116.94 115.04 1mux h PHE 12 Ca 0.29 0.01 0.22 0.00 2.80 0.00 0.00 57.97 61.29 1mux h PHE 12 Cb 0.29 0.14 -0.07 0.00 2.20 0.00 0.00 35.95 38.51 1mux h PHE 12 CO -0.13 -0.18 0.61 0.87 -0.60 0.00 0.00 178.31 178.88 1mux h LYS 13 N -0.20 0.37 -0.49 1.51 1.57 -1.06 0.53 116.57 118.80 1mux h LYS 13 Ca 0.04 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1mux h LYS 13 Cb 0.26 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1mux h LYS 13 CO -0.12 0.24 -0.03 1.49 -0.57 0.00 0.00 179.45 180.46 1mux h GLU 14 N 0.38 0.88 -0.23 3.15 4.81 -0.67 -1.57 114.58 121.33 1mux h GLU 14 Ca 0.48 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1mux h GLU 14 Cb 1.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1mux h GLU 14 CO -0.18 0.94 0.08 0.00 -0.73 0.00 0.00 179.01 179.11 1mux h ALA 15 N 0.92 0.30 -0.26 2.92 0.00 -0.50 -1.33 119.26 121.31 1mux h ALA 15 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1mux h ALA 15 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1mux h ALA 15 CO 0.03 -0.08 0.03 0.35 0.00 0.00 0.00 179.25 179.58 1mux h PHE 16 N 0.20 0.38 -0.08 0.00 3.04 -1.31 -0.73 116.94 118.43 1mux h PHE 16 Ca 0.07 -0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.87 1mux h PHE 16 Cb 0.22 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1mux h PHE 16 CO 0.00 0.36 -0.55 0.77 -2.02 0.00 0.00 178.31 176.88 1mux h SER 17 N 0.37 0.26 1.48 0.41 0.02 -0.90 -1.64 113.55 113.55 1mux h SER 17 Ca 0.09 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1mux h SER 17 Cb 0.20 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1mux h SER 17 CO 0.00 0.76 -0.34 0.25 -1.14 0.00 0.00 176.83 176.36 1mux h LEU 18 N 0.18 0.00 0.00 5.07 7.12 -0.29 -3.37 115.31 124.02 1mux h LEU 18 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1mux h LEU 18 Cb 1.02 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 1mux h LEU 18 CO 0.08 0.34 -0.05 -0.26 -0.13 0.00 0.00 178.44 178.43 1mux h PHE 19 N 0.00 0.00 -0.96 1.25 0.04 -0.92 -3.44 116.94 112.90 1mux h PHE 19 Ca -0.00 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.07 1mux h PHE 19 Cb 1.17 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.31 1mux h PHE 19 CO 0.00 0.00 1.31 -3.47 -0.60 0.00 0.00 178.31 175.55 1mux n ASP 20 N -2.87 1.92 -0.02 2.17 -0.08 -0.64 -4.81 116.55 112.23 1mux n ASP 20 Ca -0.01 0.58 -0.04 0.00 -1.51 0.00 0.00 54.79 53.82 1mux n ASP 20 Cb 0.03 -1.17 -0.03 0.00 2.34 0.00 0.00 41.12 42.28 1mux n ASP 20 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1mux h LYS 21 N 10.86 -0.08 -0.34 -0.67 1.79 -1.86 -3.37 116.57 122.90 1mux h LYS 21 Ca -0.27 0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.08 1mux h LYS 21 Cb 1.34 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 1mux h LYS 21 CO 1.02 0.09 -0.28 0.38 -1.08 0.00 0.00 179.45 179.59 1mux h ASP 22 N -1.01 0.84 -0.11 0.86 2.03 -1.98 -3.48 116.42 113.58 1mux h ASP 22 Ca -0.01 -0.45 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1mux h ASP 22 Cb 0.21 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1mux h ASP 22 CO 0.01 1.11 0.00 0.61 -1.03 0.00 0.00 179.24 179.95 1mux n GLY 23 N 0.09 0.69 0.08 7.15 0.00 -1.26 -5.02 105.19 106.91 1mux n GLY 23 Ca -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 0.43 0.00 1.61 5.68 -1.26 -4.98 116.55 118.02 1mux n ASP 24 Ca 0.00 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1mux n ASP 24 Cb 0.03 0.86 0.00 0.00 -1.14 0.00 0.00 41.12 40.87 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 1.43 1.75 3.36 6.12 0.00 -1.26 -5.13 105.19 111.46 1mux n GLY 25 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1mux n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mux s THR 26 N -2.00 0.03 -0.30 2.61 -4.23 -1.26 -4.47 115.64 106.02 1mux s THR 26 Ca 0.00 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1mux s THR 26 Cb 0.00 -0.80 0.07 0.00 1.34 0.00 0.00 72.50 73.11 1mux s THR 26 CO 0.00 -0.16 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.26 1mux s ILE 27 N -1.40 2.55 0.26 2.99 1.01 -1.00 -4.81 121.20 120.79 1mux s ILE 27 Ca -0.12 -1.67 0.04 0.00 0.00 0.00 0.00 60.65 58.90 1mux s ILE 27 Cb -0.03 -2.56 0.04 0.00 0.01 0.00 0.00 42.46 39.93 1mux s ILE 27 CO 0.06 -0.18 0.34 0.35 0.00 0.00 0.00 174.94 175.51 1mux n THR 28 N 4.48 0.00 0.18 2.92 -2.24 -1.26 -2.43 114.28 115.94 1mux n THR 28 Ca -0.10 -0.87 0.06 0.00 -2.27 0.00 0.00 64.05 60.86 1mux n THR 28 Cb 0.42 -0.73 0.26 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.10 0.74 0.32 4.28 1.35 -1.97 -2.51 112.91 115.21 1mux h THR 29 Ca -0.12 -1.62 -0.02 0.00 -0.55 0.00 0.00 66.41 64.10 1mux h THR 29 Cb 0.56 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1mux h THR 29 CO 0.18 0.35 -0.15 0.50 -0.25 0.00 0.00 175.52 176.15 1mux h LYS 30 N 0.00 -0.41 -0.22 4.72 3.64 -1.98 0.27 116.57 122.59 1mux h LYS 30 Ca -0.00 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1mux h LYS 30 Cb 1.02 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1mux h LYS 30 CO 0.05 -0.27 0.01 0.93 -2.27 0.00 0.00 179.45 177.89 1mux h GLU 31 N -0.87 0.08 -0.14 1.90 5.08 -1.95 -0.36 114.58 118.32 1mux h GLU 31 Ca -0.04 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1mux h GLU 31 Cb 0.33 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1mux h GLU 31 CO 0.07 0.05 0.08 1.25 -1.00 0.00 0.00 179.01 179.46 1mux h LEU 32 N 0.08 0.17 -0.72 1.33 5.85 -1.56 -1.40 115.31 119.06 1mux h LEU 32 Ca 0.10 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1mux h LEU 32 Cb 0.12 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1mux h LEU 32 CO -0.16 0.14 0.45 1.23 -0.34 0.00 0.00 178.44 179.76 1mux h GLY 33 N 0.24 1.04 2.00 3.75 0.00 0.82 -0.61 103.07 110.32 1mux h GLY 33 Ca 0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1mux h GLY 33 CO -0.01 0.28 -0.34 -0.84 0.00 0.00 0.00 176.54 175.63 1mux h THR 34 N 0.87 0.74 -0.12 4.70 2.02 -0.89 -2.02 112.91 118.22 1mux h THR 34 Ca 0.29 -1.51 -0.14 0.00 0.77 0.00 0.00 66.41 65.82 1mux h THR 34 Cb 0.03 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1mux h THR 34 CO -0.11 0.33 -0.51 0.58 0.37 0.00 0.00 175.52 176.18 1mux h VAL 35 N 0.00 1.34 0.00 3.16 2.07 -0.46 -0.85 116.25 121.51 1mux h VAL 35 Ca -0.00 -1.76 -0.11 0.00 0.82 0.00 0.00 66.70 65.64 1mux h VAL 35 Cb 0.95 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1mux h VAL 35 CO 0.04 0.53 -1.21 0.24 0.02 0.00 0.00 177.57 177.20 1mux h MET 36 N 0.26 0.00 0.00 1.57 2.86 -1.21 -3.34 114.93 115.07 1mux h MET 36 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1mux h MET 36 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.65 1mux h MET 36 CO 0.08 0.21 -0.60 -2.13 1.06 0.00 0.00 176.91 175.54 1mux n ARG 37 N -2.85 0.08 0.03 1.72 3.00 -0.77 -2.71 116.66 115.16 1mux n ARG 37 Ca -0.06 0.01 -0.01 0.00 -0.00 0.00 0.00 57.85 57.79 1mux n ARG 37 Cb 0.74 -1.54 -0.01 0.00 0.00 0.00 0.00 32.46 31.66 1mux n ARG 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1mux h SER 38 N 0.00 -0.08 -2.01 6.15 0.87 -1.27 -3.42 113.55 113.80 1mux h SER 38 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 1mux h SER 38 Cb 0.56 0.02 -0.39 0.00 -0.44 0.00 0.00 62.40 62.15 1mux h SER 38 CO 0.00 -0.03 -1.11 0.00 -0.53 0.00 0.00 176.83 175.16 1mux n LEU 39 N -2.36 0.38 0.00 2.23 -0.00 -1.26 -5.03 117.00 110.96 1mux n LEU 39 Ca -0.01 -4.76 0.00 0.00 -0.00 0.00 0.00 56.01 51.24 1mux n LEU 39 Cb 0.04 0.61 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1mux n LEU 39 CO 0.03 2.11 0.00 0.61 -0.00 0.00 0.00 177.39 180.13 1mux n GLY 40 N 1.21 1.17 0.00 1.47 0.00 -1.24 -5.06 105.19 102.74 1mux n GLY 40 Ca 0.22 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1mux n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mux n GLN 41 N 0.00 2.72 -3.17 1.61 1.13 -1.10 -5.03 117.38 113.54 1mux n GLN 41 Ca 0.00 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.81 1mux n GLN 41 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 1mux n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1mux n ASN 42 N -0.80 3.30 -4.79 1.08 4.13 -1.26 -4.20 115.26 112.72 1mux n ASN 42 Ca 0.00 -3.41 -0.34 0.00 1.68 0.00 0.00 54.58 52.52 1mux n ASN 42 Cb 0.00 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 37.63 1mux n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1mux s PRO 43 N -2.75 3.39 0.48 3.52 0.04 -1.26 -5.06 135.00 133.36 1mux s PRO 43 Ca 0.43 1.35 0.09 0.00 0.04 0.00 0.00 61.00 62.91 1mux s PRO 43 Cb 0.23 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.78 1mux s PRO 43 CO -0.08 -0.77 0.64 0.99 0.04 0.00 0.00 177.00 177.81 1mux s THR 44 N -2.17 2.62 0.32 1.26 2.01 -1.26 -4.93 115.64 113.48 1mux s THR 44 Ca 0.67 -1.04 0.31 0.00 0.31 0.00 0.00 61.69 61.94 1mux s THR 44 Cb -0.18 -2.65 0.33 0.00 0.01 0.00 0.00 72.50 70.00 1mux s THR 44 CO 0.31 0.00 2.05 -0.33 -0.69 0.00 0.00 174.62 175.95 1mux h GLU 45 N 0.49 0.00 0.00 4.92 3.07 -1.97 -1.19 114.58 119.90 1mux h GLU 45 Ca -0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1mux h GLU 45 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1mux h GLU 45 CO 0.45 0.09 0.00 0.00 -1.40 0.00 0.00 179.01 178.15 1mux n ALA 46 N -2.19 -0.09 -0.12 3.43 0.00 -1.26 -1.68 120.51 118.61 1mux n ALA 46 Ca -0.01 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.67 1mux n ALA 46 Cb 0.27 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.41 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 0.04 -0.21 0.00 5.08 -1.97 0.11 114.58 117.64 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 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1mux h GLU 47 CO 0.00 0.03 -0.01 1.25 -1.00 0.00 0.00 179.01 179.28 1mux h LEU 48 N 0.05 0.37 -1.08 1.33 6.46 -1.30 -2.53 115.31 118.61 1mux h LEU 48 Ca 0.36 -0.33 0.21 0.00 -0.12 0.00 0.00 57.88 58.01 1mux h LEU 48 Cb 1.38 -0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 41.11 1mux h LEU 48 CO -0.02 0.61 0.61 -0.61 -0.62 0.00 0.00 178.44 178.41 1mux h GLN 49 N 0.12 0.65 -0.41 1.25 4.15 0.15 0.29 115.11 121.31 1mux h GLN 49 Ca 0.06 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1mux h GLN 49 Cb 0.43 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1mux h GLN 49 CO 0.01 0.43 0.24 -0.44 -1.93 0.00 0.00 178.83 177.15 1mux h ASP 50 N 0.67 0.49 -0.12 -0.69 3.32 -1.20 -0.10 116.42 118.80 1mux h ASP 50 Ca 0.58 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.61 1mux h ASP 50 Cb 1.03 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1mux h ASP 50 CO -0.37 0.41 0.16 0.24 -1.72 0.00 0.00 179.24 177.96 1mux h MET 51 N 0.54 0.00 0.03 3.56 2.86 -0.13 0.64 114.93 122.42 1mux h MET 51 Ca 0.15 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.54 1mux h MET 51 Cb 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1mux h MET 51 CO -0.03 0.00 -1.28 0.82 1.06 0.00 0.00 176.91 177.48 1mux h ILE 52 N 0.00 1.39 0.00 -1.22 1.08 -0.31 -2.95 117.51 115.50 1mux h ILE 52 Ca 0.06 -3.12 -0.07 0.00 -0.39 0.00 0.00 64.86 61.34 1mux h ILE 52 Cb 0.39 2.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.86 1mux h ILE 52 CO -0.00 0.82 -0.35 0.78 -0.69 0.00 0.00 178.15 178.71 1mux h ASN 53 N 0.02 0.00 0.41 1.72 2.35 0.22 -2.16 115.58 118.13 1mux h ASN 53 Ca -0.13 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.31 1mux h ASN 53 Cb 1.88 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.25 1mux h ASN 53 CO 0.13 0.35 -1.57 1.05 -1.65 0.00 0.00 177.43 175.73 1mux h GLU 54 N 0.00 0.26 0.02 0.81 4.11 -1.36 -3.34 114.58 115.08 1mux h GLU 54 Ca -0.00 -0.45 -0.21 0.00 0.07 0.00 0.00 59.36 58.77 1mux h GLU 54 Cb 1.09 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1mux h GLU 54 CO 0.05 1.13 -0.95 0.28 0.07 0.00 0.00 179.01 179.58 1mux h VAL 55 N 0.07 1.53 -3.01 -1.06 2.07 -1.56 -3.40 116.25 110.89 1mux h VAL 55 Ca -0.26 -2.80 -0.73 0.00 0.82 0.00 0.00 66.70 63.74 1mux h VAL 55 Cb 2.03 2.59 -0.22 0.00 -1.52 0.00 0.00 31.29 34.17 1mux h VAL 55 CO 0.16 0.81 -0.04 -0.62 0.02 0.00 0.00 177.57 177.90 1mux s ASP 56 N -6.93 6.19 -0.30 0.57 -1.08 -0.81 -4.88 116.67 109.43 1mux s ASP 56 Ca -0.02 -1.55 0.11 0.00 -0.52 0.00 0.00 52.55 50.56 1mux s ASP 56 Cb 0.10 -2.26 0.78 0.00 -1.46 0.00 0.00 42.92 40.08 1mux s ASP 56 CO 0.83 -0.98 1.80 0.00 0.52 0.00 0.00 175.17 177.34 1mux n ALA 57 N 5.83 4.36 -0.09 3.66 0.00 -1.26 -4.47 120.51 128.54 1mux n ALA 57 Ca -0.11 -2.20 -0.12 0.00 0.00 0.00 0.00 53.44 51.00 1mux n ALA 57 Cb 0.42 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 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 0.13 1.86 0.00 0.00 8.00 -1.26 -5.03 116.55 120.24 1mux n ASP 58 Ca 0.37 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.37 1mux n ASP 58 Cb 1.33 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 1.51 1.51 0.13 0.44 0.00 -1.26 -5.05 105.19 102.47 1mux n GLY 59 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 2.74 0.00 1.61 6.94 -1.26 -5.09 115.26 120.19 1mux n ASN 60 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.52 1mux n ASN 60 Cb 0.00 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 1mux n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mux n GLY 61 N 2.79 1.40 3.89 4.83 0.00 -1.26 -5.10 105.19 111.73 1mux n GLY 61 Ca -0.23 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1mux n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mux s THR 62 N 0.00 2.00 0.19 2.61 -4.23 -1.26 -4.83 115.64 110.11 1mux s THR 62 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1mux s THR 62 Cb 0.00 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 1mux s THR 62 CO 0.00 0.00 0.38 -0.63 -0.54 0.00 0.00 174.62 173.83 1mux s ILE 63 N -3.56 5.22 0.09 2.99 1.01 -1.02 -4.89 121.20 121.04 1mux s ILE 63 Ca 0.63 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.95 1mux s ILE 63 Cb -0.11 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1mux s ILE 63 CO 0.50 -0.13 0.09 0.47 0.00 0.00 0.00 174.94 175.87 1mux n ASP 64 N -0.54 0.89 0.08 3.58 9.92 -1.26 -2.38 116.55 126.84 1mux n ASP 64 Ca -0.05 -1.28 -0.23 0.00 -0.53 0.00 0.00 54.79 52.71 1mux n ASP 64 Cb 0.53 -0.03 -0.15 0.00 -0.64 0.00 0.00 41.12 40.83 1mux n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1mux h PHE 65 N 0.32 0.71 0.00 1.24 3.57 -2.00 -3.01 116.94 117.76 1mux h PHE 65 Ca -0.05 -0.52 -0.00 0.00 3.53 0.00 0.00 57.97 60.92 1mux h PHE 65 Cb 0.20 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1mux h PHE 65 CO 0.00 1.53 -0.02 -1.00 -2.23 0.00 0.00 178.31 176.59 1mux h PRO 66 N -0.08 0.00 0.00 6.41 0.13 -1.97 -2.74 132.00 133.74 1mux h PRO 66 Ca -0.26 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.67 1mux h PRO 66 Cb 1.94 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 33.04 1mux h PRO 66 CO 0.18 0.02 -1.12 1.49 -0.23 0.00 0.00 178.00 178.34 1mux h GLU 67 N 0.00 0.00 -0.03 0.86 4.81 -1.97 -2.50 114.58 115.75 1mux h GLU 67 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1mux h GLU 67 Cb 0.75 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1mux h GLU 67 CO 0.00 0.69 -0.31 0.35 -0.73 0.00 0.00 179.01 179.01 1mux h PHE 68 N 0.00 0.37 -0.03 0.92 3.04 -1.38 -1.73 116.94 118.12 1mux h PHE 68 Ca -0.09 -0.18 -0.17 0.00 3.98 0.00 0.00 57.97 61.51 1mux h PHE 68 Cb 1.73 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 40.18 1mux h PHE 68 CO 0.00 0.94 -0.74 1.25 -2.02 0.00 0.00 178.31 177.74 1mux h LEU 69 N -0.32 0.28 -0.09 0.59 6.46 -1.62 -2.52 115.31 118.09 1mux h LEU 69 Ca -0.03 -0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 57.49 1mux h LEU 69 Cb 1.01 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 1mux h LEU 69 CO 0.06 0.92 -0.23 0.74 -0.62 0.00 0.00 178.44 179.31 1mux h THR 70 N 0.15 0.41 0.00 1.05 2.02 -1.52 -2.71 112.91 112.31 1mux h THR 70 Ca -0.03 -1.53 -0.18 0.00 0.77 0.00 0.00 66.41 65.44 1mux h THR 70 Cb 1.31 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 69.86 1mux h THR 70 CO 0.11 0.23 -1.41 0.00 0.37 0.00 0.00 175.52 174.82 1mux h MET 71 N 0.00 0.00 0.00 6.66 -0.00 -1.27 -3.30 114.93 117.02 1mux h MET 71 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 1mux h MET 71 Cb 1.15 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.73 1mux h MET 71 CO 0.03 0.33 -0.91 -1.33 -0.00 0.00 0.00 176.91 175.03 1mux n MET 72 N -2.93 0.50 0.43 -0.10 2.81 -0.96 -3.45 117.12 113.43 1mux n MET 72 Ca -0.10 0.53 -0.19 0.00 -1.81 0.00 0.00 57.70 56.13 1mux n MET 72 Cb 0.87 -1.70 -0.09 0.00 -0.71 0.00 0.00 33.22 31.58 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 -0.79 -1.08 -1.94 3.04 0.00 -1.71 -3.30 119.26 113.48 1mux h ALA 73 Ca -0.17 -0.24 -0.69 0.00 0.00 0.00 0.00 54.91 53.81 1mux h ALA 73 Cb 0.89 0.42 -0.35 0.00 0.00 0.00 0.00 17.79 18.74 1mux h ALA 73 CO -0.10 -1.10 0.09 0.54 0.00 0.00 0.00 179.25 178.67 1mux n ARG 74 N -5.55 3.85 0.32 0.00 5.12 -1.24 -4.82 116.66 114.34 1mux n ARG 74 Ca -0.15 -4.70 0.20 0.00 -1.93 0.00 0.00 57.85 51.27 1mux n ARG 74 Cb 0.43 -2.36 1.09 0.00 -1.16 0.00 0.00 32.46 30.46 1mux n ARG 74 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 1mux h LYS 75 N 4.15 0.00 -5.22 5.56 2.10 -1.64 -3.36 116.57 118.16 1mux h LYS 75 Ca 0.26 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 58.25 1mux h LYS 75 Cb 0.53 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.70 1mux h LYS 75 CO 1.03 0.00 0.63 1.41 -2.00 0.00 0.00 179.45 180.52 1mux s MET 76 N -4.24 3.30 0.14 0.07 1.75 -1.26 -5.02 119.30 114.05 1mux s MET 76 Ca -0.05 -1.24 0.04 0.00 -1.25 0.00 0.00 55.69 53.19 1mux s MET 76 Cb 0.13 -4.52 -0.04 0.00 2.84 0.00 0.00 34.83 33.24 1mux s MET 76 CO 0.41 -1.78 0.17 0.15 -0.65 0.00 0.00 175.02 173.32 1mux s LYS 77 N 3.42 3.06 -0.30 4.11 1.02 -1.26 -5.09 119.74 124.70 1mux s LYS 77 Ca 0.26 -0.75 -0.11 0.00 0.02 0.00 0.00 55.97 55.38 1mux s LYS 77 Cb -0.13 -2.76 0.19 0.00 -0.52 0.00 0.00 37.83 34.61 1mux s LYS 77 CO 0.02 0.51 1.05 0.34 -0.92 0.00 0.00 175.35 176.35 1mux s ASP 78 N -2.99 -0.41 0.75 2.83 2.15 -1.26 -5.17 116.67 112.56 1mux s ASP 78 Ca 0.32 0.04 -0.04 0.00 0.43 0.00 0.00 52.55 53.30 1mux s ASP 78 Cb -0.11 1.24 0.12 0.00 -0.30 0.00 0.00 42.92 43.87 1mux s ASP 78 CO 0.25 -0.07 0.76 0.41 -0.17 0.00 0.00 175.17 176.34 1mux n THR 79 N 5.06 0.00 -4.27 1.71 -1.04 -1.26 -5.08 114.28 109.40 1mux n THR 79 Ca 0.09 -0.96 -0.34 0.00 -2.04 0.00 0.00 64.05 60.81 1mux n THR 79 Cb 0.58 -1.24 -0.15 0.00 -1.82 0.00 0.00 70.33 67.70 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 -3.98 3.68 0.00 8.00 -1.08 -1.26 -5.11 116.67 116.93 1mux s ASP 80 Ca 0.48 -0.50 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1mux s ASP 80 Cb -0.02 -1.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.85 1mux s ASP 80 CO 0.32 0.04 0.00 -1.54 0.52 0.00 0.00 175.17 174.51 1mux n SER 81 N 4.38 0.99 -3.60 -0.34 3.41 -1.26 -5.16 113.62 112.04 1mux n SER 81 Ca -0.19 -0.15 -0.04 0.00 -0.26 0.00 0.00 58.87 58.22 1mux n SER 81 Cb 0.51 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 1mux n SER 81 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1mux s GLU 82 N 1.39 0.28 -1.80 4.33 2.56 -1.26 -4.95 118.70 119.26 1mux s GLU 82 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.97 54.91 1mux s GLU 82 Cb 0.00 0.13 0.00 0.00 2.00 0.00 0.00 34.13 36.26 1mux s GLU 82 CO 0.00 -0.11 0.00 -1.91 -0.56 0.00 0.00 175.26 172.68 1mux n GLU 83 N 0.10 -1.47 -0.07 4.30 2.13 -1.26 -4.77 120.64 119.60 1mux n GLU 83 Ca -0.01 1.01 -0.12 0.00 0.66 0.00 0.00 57.16 58.70 1mux n GLU 83 Cb 0.58 -5.39 -0.05 0.00 0.27 0.00 0.00 31.44 26.85 1mux n GLU 83 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1mux n GLU 84 N -2.30 0.31 0.24 5.31 -0.58 -1.26 -4.48 120.64 117.88 1mux n GLU 84 Ca -0.18 0.10 0.15 0.00 -0.42 0.00 0.00 57.16 56.81 1mux n GLU 84 Cb 0.59 -1.13 0.81 0.00 -0.57 0.00 0.00 31.44 31.14 1mux n GLU 84 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1mux h ILE 85 N -0.25 0.00 0.13 -3.67 2.04 -1.98 -2.03 117.51 111.75 1mux h ILE 85 Ca -0.32 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1mux h ILE 85 Cb 1.38 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1mux h ILE 85 CO -0.13 0.00 -0.06 -0.09 0.00 0.00 0.00 178.15 177.87 1mux h ARG 86 N 0.00 -0.17 -0.47 2.37 9.65 -1.96 -2.17 114.38 121.63 1mux h ARG 86 Ca 0.00 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1mux h ARG 86 Cb 0.14 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1mux h ARG 86 CO 0.00 0.22 0.22 0.93 2.80 0.00 0.00 179.97 184.13 1mux h GLU 87 N -0.60 0.66 0.83 0.20 4.39 -1.62 -2.15 114.58 116.28 1mux h GLU 87 Ca -0.02 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1mux h GLU 87 Cb 0.47 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1mux h GLU 87 CO 0.03 0.52 -0.40 0.00 -1.16 0.00 0.00 179.01 178.00 1mux h ALA 88 N 1.58 -1.22 -0.13 3.43 0.00 -1.43 -2.17 119.26 119.32 1mux h ALA 88 Ca 0.17 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1mux h ALA 88 Cb 0.09 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1mux h ALA 88 CO -0.02 -1.14 0.31 0.35 0.00 0.00 0.00 179.25 178.75 1mux h PHE 89 N -1.19 0.00 -0.25 0.00 3.04 -1.27 -0.30 116.94 116.97 1mux h PHE 89 Ca -0.11 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.77 1mux h PHE 89 Cb 0.85 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1mux h PHE 89 CO 0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 178.31 176.22 1mux h ARG 90 N 0.00 0.51 0.00 1.11 3.08 -0.75 -1.18 114.38 117.15 1mux h ARG 90 Ca 0.06 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1mux h ARG 90 Cb 0.67 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1mux h ARG 90 CO -0.00 0.75 -0.15 -0.39 -1.07 0.00 0.00 179.97 179.11 1mux h VAL 91 N 0.25 0.26 0.00 2.04 -1.51 -0.79 -3.17 116.25 113.34 1mux h VAL 91 Ca 0.06 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.25 1mux h VAL 91 Cb 0.58 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1mux h VAL 91 CO 0.03 0.14 -0.50 -0.26 -1.23 0.00 0.00 177.57 175.75 1mux h PHE 92 N 0.00 0.00 -1.24 5.19 0.04 -1.21 -3.36 116.94 116.36 1mux h PHE 92 Ca -0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 1mux h PHE 92 Cb 1.03 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 38.77 1mux h PHE 92 CO 0.00 0.00 -0.85 -3.47 -0.60 0.00 0.00 178.31 173.39 1mux n ASP 93 N -2.23 4.03 -2.25 2.17 2.03 -0.46 -4.50 116.55 115.34 1mux n ASP 93 Ca 0.03 -3.47 -0.32 0.00 0.52 0.00 0.00 54.79 51.56 1mux n ASP 93 Cb 0.45 -0.45 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 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 2.99 0.00 -0.67 2.85 -1.23 -4.43 118.16 117.23 1mux n LYS 94 Ca 0.33 -3.59 0.00 0.00 -1.05 0.00 0.00 58.31 54.00 1mux n LYS 94 Cb 0.75 -2.29 0.00 0.00 -0.65 0.00 0.00 35.03 32.84 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 -0.84 3.91 0.00 -5.58 5.75 -1.26 -5.03 116.55 113.50 1mux n ASP 95 Ca 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.35 1mux n ASP 95 Cb 0.75 0.56 0.00 0.00 -1.03 0.00 0.00 41.12 41.40 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 2.24 1.01 0.37 6.12 0.00 -1.26 -4.95 105.19 108.72 1mux n GLY 96 Ca 0.00 -0.23 0.22 0.00 0.00 0.00 0.00 46.02 46.01 1mux n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1mux h ASN 97 N 1.94 0.54 0.00 1.61 -0.73 -1.96 -3.44 115.58 113.54 1mux h ASN 97 Ca 0.00 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.30 1mux h ASN 97 Cb 0.00 0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1mux h ASN 97 CO 0.00 0.03 0.00 0.61 -0.37 0.00 0.00 177.43 177.70 1mux n GLY 98 N -1.37 1.84 3.29 1.57 0.00 -1.26 -5.03 105.19 104.23 1mux n GLY 98 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 1mux n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mux s TYR 99 N -2.41 1.42 -0.13 1.61 1.51 -1.26 -4.79 117.35 113.29 1mux s TYR 99 Ca 0.00 -1.15 -0.23 0.00 -1.01 0.00 0.00 57.07 54.68 1mux s TYR 99 Cb 0.00 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 41.01 1mux s TYR 99 CO 0.00 -0.33 0.70 0.42 -1.11 0.00 0.00 175.55 175.23 1mux s ILE 100 N -3.76 5.01 0.49 2.71 1.01 -0.78 -4.79 121.20 121.08 1mux s ILE 100 Ca 0.34 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.44 1mux s ILE 100 Cb 0.07 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 1mux s ILE 100 CO 0.11 0.16 0.23 -0.44 0.00 0.00 0.00 174.94 175.00 1mux s SER 101 N 0.99 4.44 0.10 3.58 0.01 -1.26 -2.66 113.70 118.90 1mux s SER 101 Ca 0.35 -1.27 -0.16 0.00 1.31 0.00 0.00 55.95 56.18 1mux s SER 101 Cb -0.17 0.10 -0.06 0.00 0.21 0.00 0.00 66.02 66.10 1mux s SER 101 CO 0.14 -0.83 1.49 0.00 0.41 0.00 0.00 173.24 174.44 1mux h ALA 102 N 1.14 0.45 0.18 1.44 0.00 -1.94 -2.21 119.26 118.32 1mux h ALA 102 Ca -0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1mux h ALA 102 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1mux h ALA 102 CO 0.66 0.32 -0.09 0.00 0.00 0.00 0.00 179.25 180.14 1mux h ALA 103 N 0.78 -0.24 -0.08 0.00 0.00 -1.98 -2.62 119.26 115.12 1mux h ALA 103 Ca 0.08 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1mux h ALA 103 Cb 0.63 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1mux h ALA 103 CO 0.04 -0.54 -0.22 0.93 0.00 0.00 0.00 179.25 179.45 1mux h GLU 104 N -0.42 -0.30 -1.01 0.00 5.08 -1.94 -1.02 114.58 114.97 1mux h GLU 104 Ca -0.02 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 1mux h GLU 104 Cb 0.33 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.53 1mux h GLU 104 CO 0.04 -0.20 0.61 1.25 -1.00 0.00 0.00 179.01 179.71 1mux h LEU 105 N -0.31 0.69 -0.85 1.33 6.46 -1.36 0.15 115.31 121.42 1mux h LEU 105 Ca 0.09 0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1mux h LEU 105 Cb 0.43 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 1mux h LEU 105 CO -0.26 0.17 0.18 -0.09 -0.62 0.00 0.00 178.44 177.82 1mux h ARG 106 N 0.63 1.03 0.00 1.25 2.43 -0.81 -2.10 114.38 116.82 1mux h ARG 106 Ca 0.61 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1mux h ARG 106 Cb 1.13 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1mux h ARG 106 CO -0.41 0.90 0.00 1.25 -1.51 0.00 0.00 179.97 180.20 1mux h HIS 107 N 0.99 0.00 0.07 2.20 2.76 -0.23 -2.99 115.15 117.95 1mux h HIS 107 Ca 0.21 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.19 1mux h HIS 107 Cb 0.32 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 1mux h HIS 107 CO 0.02 0.00 -0.98 0.28 -1.30 0.00 0.00 177.93 175.96 1mux h VAL 108 N 0.00 1.26 -0.17 5.26 2.07 -0.72 -3.33 116.25 120.61 1mux h VAL 108 Ca 0.00 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.15 1mux h VAL 108 Cb 0.59 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1mux h VAL 108 CO 0.00 0.61 0.10 0.24 0.02 0.00 0.00 177.57 178.54 1mux h MET 109 N -0.60 0.24 -1.02 1.57 2.86 -1.42 -2.31 114.93 114.24 1mux h MET 109 Ca -0.22 -0.02 0.25 0.00 -2.06 0.00 0.00 59.70 57.65 1mux h MET 109 Cb 1.49 -0.05 -0.10 0.00 0.06 0.00 0.00 31.60 33.00 1mux h MET 109 CO 0.01 0.21 0.64 1.79 1.06 0.00 0.00 176.91 180.63 1mux h THR 110 N 0.19 0.55 -0.02 2.22 1.35 -1.69 -0.79 112.91 114.72 1mux h THR 110 Ca 0.06 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.73 1mux h THR 110 Cb 0.04 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 1mux h THR 110 CO -0.01 0.09 -0.11 0.78 -0.25 0.00 0.00 175.52 176.02 1mux h ASN 111 N 0.47 0.13 -0.02 5.36 2.35 -1.55 -3.11 115.58 119.22 1mux h ASN 111 Ca 0.60 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1mux h ASN 111 Cb 1.37 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.70 1mux h ASN 111 CO -0.34 0.77 0.05 -0.07 -1.65 0.00 0.00 177.43 176.19 1mux h LEU 112 N -0.50 0.00 -1.03 1.61 3.38 -0.72 -3.45 115.31 114.59 1mux h LEU 112 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1mux h LEU 112 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1mux h LEU 112 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1mux n GLY 113 N -1.18 0.62 0.05 0.83 0.00 -0.42 -5.01 105.19 100.08 1mux n GLY 113 Ca -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.52 2.30 -2.71 1.61 -0.58 -1.11 -5.05 120.64 114.58 1mux n GLU 114 Ca 0.00 -0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.68 1mux n GLU 114 Cb 0.30 -1.25 -0.04 0.00 -0.57 0.00 0.00 31.44 29.89 1mux n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1mux n LYS 115 N -2.34 -3.91 -4.25 3.49 4.81 -1.26 -5.03 118.16 109.68 1mux n LYS 115 Ca -0.15 2.99 -0.21 0.00 -0.87 0.00 0.00 58.31 60.08 1mux n LYS 115 Cb 0.79 -4.16 -0.12 0.00 0.02 0.00 0.00 35.03 31.57 1mux n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1mux s LEU 116 N -0.53 2.33 0.62 3.14 1.43 -1.26 -5.08 118.68 119.33 1mux s LEU 116 Ca -0.23 -0.72 -0.13 0.00 -1.03 0.00 0.00 54.13 52.02 1mux s LEU 116 Cb 0.02 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1mux s LEU 116 CO 0.63 -0.04 1.04 -0.89 0.23 0.00 0.00 176.35 177.32 1mux s THR 117 N -1.53 4.18 0.15 5.49 2.01 -1.26 -4.95 115.64 119.73 1mux s THR 117 Ca 0.06 0.84 -0.13 0.00 0.31 0.00 0.00 61.69 62.77 1mux s THR 117 Cb -0.08 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.93 1mux s THR 117 CO 0.04 -0.79 1.66 0.44 -0.69 0.00 0.00 174.62 175.27 1mux h ASP 118 N -0.07 0.77 -1.01 3.53 3.32 -2.00 -2.77 116.42 118.19 1mux h ASP 118 Ca -0.45 -0.23 0.08 0.00 0.02 0.00 0.00 57.03 56.45 1mux h ASP 118 Cb 1.20 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.48 1mux h ASP 118 CO 0.59 0.81 0.65 -0.33 -1.72 0.00 0.00 179.24 179.23 1mux h GLU 119 N 0.71 1.10 -0.29 3.56 5.08 -2.00 -2.06 114.58 120.68 1mux h GLU 119 Ca 0.16 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1mux h GLU 119 Cb 0.33 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1mux h GLU 119 CO 0.00 0.73 0.11 0.93 -1.00 0.00 0.00 179.01 179.79 1mux h GLU 120 N 1.14 0.44 -0.12 2.33 5.08 -1.88 -2.21 114.58 119.35 1mux h GLU 120 Ca 0.45 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.77 1mux h GLU 120 Cb 0.25 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1mux h GLU 120 CO -0.20 0.46 -0.13 0.28 -1.00 0.00 0.00 179.01 178.43 1mux h VAL 121 N 0.32 0.65 -0.46 3.13 2.07 -1.15 -0.65 116.25 120.16 1mux h VAL 121 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1mux h VAL 121 Cb 0.19 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1mux h VAL 121 CO -0.01 0.00 0.16 0.44 0.02 0.00 0.00 177.57 178.18 1mux h ASP 122 N -0.16 0.15 0.22 0.57 3.32 -1.33 0.17 116.42 119.36 1mux h ASP 122 Ca 0.09 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1mux h ASP 122 Cb 0.28 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1mux h ASP 122 CO -0.21 0.12 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.27 1mux h GLU 123 N 0.32 0.00 -0.04 3.56 4.57 -0.81 -2.57 114.58 119.60 1mux h GLU 123 Ca 0.22 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1mux h GLU 123 Cb 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1mux h GLU 123 CO -0.23 0.07 -0.27 0.52 -1.18 0.00 0.00 179.01 177.93 1mux h MET 124 N 0.00 0.26 -0.06 1.92 2.86 0.56 -2.12 114.93 118.34 1mux h MET 124 Ca -0.00 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1mux h MET 124 Cb 0.20 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1mux h MET 124 CO 0.01 0.89 -0.02 0.82 1.06 0.00 0.00 176.91 179.66 1mux h ILE 125 N -0.29 1.06 -0.01 -1.22 1.08 -1.04 -1.28 117.51 115.81 1mux h ILE 125 Ca -0.02 -0.25 -0.17 0.00 -0.39 0.00 0.00 64.86 64.03 1mux h ILE 125 Cb 0.95 1.04 0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1mux h ILE 125 CO 0.06 0.08 -0.66 -0.09 -0.69 0.00 0.00 178.15 176.84 1mux h ARG 126 N 0.09 0.47 0.00 2.37 1.12 -1.43 -1.93 114.38 115.06 1mux h ARG 126 Ca 0.02 -0.49 -0.04 0.00 -1.11 0.00 0.00 59.98 58.36 1mux h ARG 126 Cb 0.11 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1mux h ARG 126 CO 0.00 1.14 -0.18 0.93 -3.11 0.00 0.00 179.97 178.75 1mux h GLU 127 N 0.00 0.00 0.12 0.20 5.08 -1.00 -2.90 114.58 116.09 1mux h GLU 127 Ca -0.08 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.98 1mux h GLU 127 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1mux h GLU 127 CO 0.13 0.18 -1.50 0.00 -1.00 0.00 0.00 179.01 176.82 1mux h ALA 128 N 1.82 0.24 -1.12 3.43 0.00 -1.23 -3.43 119.26 118.97 1mux h ALA 128 Ca -0.00 -1.08 -0.30 0.00 0.00 0.00 0.00 54.91 53.53 1mux h ALA 128 Cb 0.51 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1mux h ALA 128 CO 0.02 1.11 1.01 0.34 0.00 0.00 0.00 179.25 181.74 1mux s ASP 129 N -7.02 4.33 -0.00 0.00 2.15 -0.73 -4.82 116.67 110.58 1mux s ASP 129 Ca -0.09 0.59 -0.13 0.00 0.43 0.00 0.00 52.55 53.35 1mux s ASP 129 Cb 0.07 -2.52 -0.07 0.00 -0.30 0.00 0.00 42.92 40.09 1mux s ASP 129 CO 0.86 -3.19 0.81 0.40 -0.17 0.00 0.00 175.17 173.87 1mux h ILE 130 N 7.62 0.00 0.00 4.11 2.04 -1.85 -3.27 117.51 126.16 1mux h ILE 130 Ca -0.14 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1mux h ILE 130 Cb 1.16 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1mux h ILE 130 CO 1.11 0.00 0.00 -2.24 0.00 0.00 0.00 178.15 177.02 1mux h ASP 131 N -0.70 0.00 -2.90 1.72 3.04 -1.98 -3.48 116.42 112.12 1mux h ASP 131 Ca -0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 1mux h ASP 131 Cb 0.36 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.65 1mux h ASP 131 CO 0.08 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.89 1mux n GLY 132 N 0.42 -0.47 0.02 7.15 0.00 -1.24 -5.02 105.19 106.05 1mux n GLY 132 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.71 2.84 0.00 1.61 8.00 -1.26 -5.02 116.55 122.02 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 0.22 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.47 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mux n GLY 134 N 2.16 4.22 3.36 0.44 0.00 -1.26 -5.10 105.19 109.01 1mux n GLY 134 Ca -0.07 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 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 1.51 -0.11 1.61 1.03 -1.26 -4.99 119.66 117.45 1mux s GLN 135 Ca 0.00 -1.83 -0.14 0.00 0.04 0.00 0.00 55.36 53.43 1mux s GLN 135 Cb 0.00 -0.42 -0.05 0.00 0.03 0.00 0.00 33.01 32.58 1mux s GLN 135 CO 0.00 -0.29 0.33 0.08 -2.54 0.00 0.00 175.29 172.87 1mux s VAL 136 N -3.61 5.24 0.43 3.63 1.01 -1.09 -4.82 120.40 121.19 1mux s VAL 136 Ca 0.37 0.64 0.08 0.00 0.00 0.00 0.00 61.98 63.07 1mux s VAL 136 Cb 0.08 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1mux s VAL 136 CO 0.14 0.46 0.51 0.21 0.00 0.00 0.00 175.10 176.42 1mux s ASN 137 N -0.09 5.40 0.17 3.32 2.47 -1.26 -1.87 114.94 123.08 1mux s ASN 137 Ca 0.19 -0.57 -0.15 0.00 0.42 0.00 0.00 52.86 52.76 1mux s ASN 137 Cb -0.14 -0.56 0.11 0.00 -1.45 0.00 0.00 41.25 39.21 1mux s ASN 137 CO 0.07 -0.76 1.75 0.22 -3.72 0.00 0.00 177.10 174.66 1mux h TYR 138 N 0.75 0.26 0.23 0.43 5.03 -1.98 -1.03 116.97 120.66 1mux h TYR 138 Ca -0.40 0.02 0.01 0.00 2.58 0.00 0.00 58.73 60.94 1mux h TYR 138 Cb 1.28 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.48 1mux h TYR 138 CO 0.45 0.09 -0.31 1.49 -1.32 0.00 0.00 178.16 178.57 1mux h GLU 139 N 0.31 -0.57 -0.11 1.82 4.81 -2.00 -0.82 114.58 118.02 1mux h GLU 139 Ca 0.20 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1mux h GLU 139 Cb 0.19 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1mux h GLU 139 CO -0.21 -0.38 0.11 0.93 -0.73 0.00 0.00 179.01 178.73 1mux h GLU 140 N -0.60 0.00 -0.07 1.92 5.08 -1.86 -0.40 114.58 118.65 1mux h GLU 140 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1mux h GLU 140 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1mux h GLU 140 CO -0.11 0.00 -0.51 0.35 -1.00 0.00 0.00 179.01 177.74 1mux h PHE 141 N 0.00 0.24 0.00 4.33 3.04 0.19 -1.69 116.94 123.05 1mux h PHE 141 Ca 0.05 -0.08 -0.21 0.00 3.98 0.00 0.00 57.97 61.72 1mux h PHE 141 Cb 0.26 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 1mux h PHE 141 CO 0.00 0.66 -1.07 0.28 -2.02 0.00 0.00 178.31 176.16 1mux h VAL 142 N 0.15 1.37 0.00 1.41 2.07 -0.54 -3.14 116.25 117.58 1mux h VAL 142 Ca 0.00 -3.04 -0.08 0.00 0.82 0.00 0.00 66.70 64.40 1mux h VAL 142 Cb 0.95 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1mux h VAL 142 CO 0.08 0.78 -0.43 1.56 0.02 0.00 0.00 177.57 179.58 1mux h GLN 143 N 0.00 0.00 0.07 1.57 1.08 -1.30 -3.03 115.11 113.50 1mux h GLN 143 Ca -0.07 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.88 1mux h GLN 143 Cb 1.74 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.16 1mux h GLN 143 CO 0.11 0.37 -1.17 1.98 -0.95 0.00 0.00 178.83 179.16 1mux h MET 144 N 0.00 0.15 0.00 1.46 4.05 -1.37 -3.26 114.93 115.96 1mux h MET 144 Ca -0.01 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1mux h MET 144 Cb 1.30 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 1mux h MET 144 CO 0.05 1.11 -0.24 -0.12 0.23 0.00 0.00 176.91 177.93 1mux n MET 145 N -3.44 0.08 -5.13 0.39 0.00 -1.19 -4.78 117.12 103.05 1mux n MET 145 Ca -0.06 0.05 -0.32 0.00 0.00 0.00 0.00 57.70 57.37 1mux n MET 145 Cb 0.99 -1.57 -0.16 0.00 0.00 0.00 0.00 33.22 32.48 1mux n MET 145 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1mux s THR 146 N -3.04 2.33 0.60 1.12 -4.23 -1.15 -5.03 115.64 106.23 1mux s THR 146 Ca 0.11 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1mux s THR 146 Cb 0.17 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1mux s THR 146 CO 0.62 0.56 0.00 0.00 -0.54 0.00 0.00 174.62 175.26 1mux n ALA 147 N 3.13 -3.32 1.10 3.99 0.00 -1.26 -4.79 120.51 119.36 1mux n ALA 147 Ca -0.18 0.81 0.12 0.00 0.00 0.00 0.00 53.44 54.20 1mux n ALA 147 Cb 0.52 -1.53 0.19 0.00 0.00 0.00 0.00 19.45 18.63 1mux n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13