#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pux n MET 2 N 0.00 0.17 -3.64 0.03 0.00 -1.26 -5.11 117.12 107.31 1pux n MET 2 Ca 0.00 -0.98 -0.05 0.00 -0.00 0.00 0.00 57.70 56.67 1pux n MET 2 Cb 0.00 0.49 -0.07 0.00 0.00 0.00 0.00 33.22 33.64 1pux n MET 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1pux s ASN 3 N -0.97 -0.80 1.06 6.12 4.22 -1.26 -5.02 114.94 118.29 1pux s ASN 3 Ca 0.01 1.28 -0.14 0.00 -2.14 0.00 0.00 52.86 51.87 1pux s ASN 3 Cb 0.06 1.35 0.22 0.00 1.28 0.00 0.00 41.25 44.15 1pux s ASN 3 CO -0.02 -0.20 0.49 1.21 -2.04 0.00 0.00 177.10 176.55 1pux n GLU 4 N 4.14 -1.91 -3.77 3.55 4.07 -1.26 -4.79 120.64 120.67 1pux n GLU 4 Ca -0.19 -0.83 -0.13 0.00 -0.06 0.00 0.00 57.16 55.95 1pux n GLU 4 Cb 0.58 -1.52 -0.12 0.00 -0.06 0.00 0.00 31.44 30.33 1pux n GLU 4 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1pux s LYS 5 N -3.74 0.28 0.01 5.31 -0.14 -1.26 -3.59 119.74 116.62 1pux s LYS 5 Ca 0.38 0.41 -0.19 0.00 -1.36 0.00 0.00 55.97 55.21 1pux s LYS 5 Cb -0.07 0.09 0.04 0.00 -1.68 0.00 0.00 37.83 36.21 1pux s LYS 5 CO 0.32 -0.07 0.42 0.42 -0.76 0.00 0.00 175.35 175.68 1pux s ILE 6 N 0.41 0.05 0.02 2.17 1.01 -1.14 0.73 121.20 124.46 1pux s ILE 6 Ca -0.02 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1pux s ILE 6 Cb -0.04 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 1pux s ILE 6 CO -0.02 -0.22 -0.09 -0.22 0.00 0.00 0.00 174.94 174.39 1pux s LEU 7 N -1.69 2.14 0.06 2.97 2.96 -0.63 -3.35 118.68 121.15 1pux s LEU 7 Ca -0.09 -0.35 0.09 0.00 -0.22 0.00 0.00 54.13 53.56 1pux s LEU 7 Cb -0.02 -0.33 -0.03 0.00 0.50 0.00 0.00 46.19 46.31 1pux s LEU 7 CO 0.01 -0.03 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.16 1pux s ILE 8 N -0.75 2.51 -0.11 6.68 1.01 0.14 0.34 121.20 131.02 1pux s ILE 8 Ca -0.02 -1.37 -0.07 0.00 0.00 0.00 0.00 60.65 59.19 1pux s ILE 8 Cb -0.06 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.39 1pux s ILE 8 CO 0.00 0.29 0.27 -0.69 0.00 0.00 0.00 174.94 174.81 1pux s VAL 9 N -0.93 -0.02 0.21 2.92 1.01 0.46 -1.30 120.40 122.75 1pux s VAL 9 Ca 0.14 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1pux s VAL 9 Cb -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1pux s VAL 9 CO 0.05 0.04 0.00 0.47 0.00 0.00 0.00 175.10 175.66 1pux n ASP 10 N 3.78 -4.72 0.00 3.32 8.00 -1.16 -2.56 116.55 123.22 1pux n ASP 10 Ca -0.21 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1pux n ASP 10 Cb 0.55 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.82 1pux n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1pux n ASP 11 N -4.33 -5.01 -4.59 -2.24 2.03 -1.26 -4.54 116.55 96.62 1pux n ASP 11 Ca -0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1pux n ASP 11 Cb 0.59 -2.78 -0.02 0.00 -0.72 0.00 0.00 41.12 38.19 1pux n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pux s GLN 12 N -1.51 3.61 0.00 -0.67 -2.07 -1.26 -4.54 119.66 113.22 1pux s GLN 12 Ca 0.00 0.37 0.09 0.00 -1.82 0.00 0.00 55.36 54.00 1pux s GLN 12 Cb 0.00 -3.96 0.15 0.00 -1.09 0.00 0.00 33.01 28.11 1pux s GLN 12 CO 0.00 -1.49 1.02 0.98 -1.32 0.00 0.00 175.29 174.48 1pux n TYR 13 N 8.01 0.00 0.00 9.60 9.36 -1.26 -4.95 117.16 137.93 1pux n TYR 13 Ca 0.10 -0.43 0.00 0.00 3.32 0.00 0.00 57.90 60.88 1pux n TYR 13 Cb 0.49 0.22 0.00 0.00 -0.63 0.00 0.00 39.34 39.42 1pux n TYR 13 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1pux n GLY 14 N 0.18 0.63 0.12 2.98 0.00 -1.26 -4.94 105.19 102.90 1pux n GLY 14 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1pux n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pux h ILE 15 N 0.00 1.11 -1.04 -0.61 2.04 -1.92 -3.27 117.51 113.81 1pux h ILE 15 Ca 0.00 -2.42 0.34 0.00 1.00 0.00 0.00 64.86 63.78 1pux h ILE 15 Cb 0.00 2.78 -0.15 0.00 -0.74 0.00 0.00 36.82 38.72 1pux h ILE 15 CO 0.00 0.70 0.61 0.08 0.00 0.00 0.00 178.15 179.53 1pux h ARG 16 N -0.33 0.26 -0.17 2.37 0.11 -1.92 0.83 114.38 115.53 1pux h ARG 16 Ca -0.28 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 59.74 1pux h ARG 16 Cb 1.73 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 32.75 1pux h ARG 16 CO 0.07 0.17 -0.09 0.82 0.10 0.00 0.00 179.97 181.04 1pux h ILE 17 N 0.27 1.32 -0.72 0.08 2.04 -1.98 0.80 117.51 119.31 1pux h ILE 17 Ca 0.75 -1.15 0.10 0.00 1.00 0.00 0.00 64.86 65.55 1pux h ILE 17 Cb 1.83 1.72 -0.12 0.00 -0.74 0.00 0.00 36.82 39.52 1pux h ILE 17 CO -0.58 0.34 -0.47 0.25 0.00 0.00 0.00 178.15 177.69 1pux h LEU 18 N 0.03 -1.65 -1.10 1.44 5.85 0.62 1.49 115.31 121.98 1pux h LEU 18 Ca 0.04 0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 1pux h LEU 18 Cb 0.57 0.76 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1pux h LEU 18 CO 0.03 -0.31 -0.21 0.17 -0.34 0.00 0.00 178.44 177.77 1pux h LEU 19 N -0.16 0.00 0.56 2.25 -0.00 -1.37 -2.94 115.31 113.65 1pux h LEU 19 Ca 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1pux h LEU 19 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.21 1pux h LEU 19 CO -0.78 0.21 -0.27 -1.13 -0.00 0.00 0.00 178.44 176.47 1pux h ASN 20 N 0.00 -0.63 -0.93 0.17 -1.24 0.41 -1.95 115.58 111.41 1pux h ASN 20 Ca -0.00 0.02 0.26 0.00 0.71 0.00 0.00 56.30 57.29 1pux h ASN 20 Cb 0.75 0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.92 1pux h ASN 20 CO 0.03 -0.38 0.66 -0.08 -1.29 0.00 0.00 177.43 176.37 1pux h GLU 21 N -0.89 0.05 0.39 6.67 4.81 0.68 2.68 114.58 128.98 1pux h GLU 21 Ca -0.08 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1pux h GLU 21 Cb 0.57 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1pux h GLU 21 CO 0.13 0.03 -0.19 0.28 -0.73 0.00 0.00 179.01 178.53 1pux h VAL 22 N 0.05 0.62 0.08 0.32 2.07 -1.31 -2.56 116.25 115.52 1pux h VAL 22 Ca 0.45 -0.18 -0.25 0.00 0.82 0.00 0.00 66.70 67.54 1pux h VAL 22 Cb 1.71 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1pux h VAL 22 CO -0.03 0.03 -1.15 -0.26 0.02 0.00 0.00 177.57 176.18 1pux h PHE 23 N -0.63 0.31 -0.82 1.57 0.04 -0.08 -3.21 116.94 114.11 1pux h PHE 23 Ca -0.05 -0.23 0.24 0.00 2.80 0.00 0.00 57.97 60.73 1pux h PHE 23 Cb 0.46 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 1pux h PHE 23 CO -0.02 1.18 0.60 -0.97 -0.60 0.00 0.00 178.31 178.49 1pux h ASN 24 N 0.05 0.00 -0.00 2.17 -1.24 0.46 0.73 115.58 117.74 1pux h ASN 24 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1pux h ASN 24 Cb 1.90 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.95 1pux h ASN 24 CO 0.18 0.00 0.39 0.11 -1.29 0.00 0.00 177.43 176.82 1pux h LYS 25 N 0.00 0.00 0.00 6.67 1.57 -1.46 1.71 116.57 125.06 1pux h LYS 25 Ca 0.39 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.11 1pux h LYS 25 Cb 1.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 1pux h LYS 25 CO -0.00 0.00 -1.35 0.39 -0.57 0.00 0.00 179.45 177.91 1pux n GLU 26 N -2.86 0.62 -0.50 3.15 1.02 0.25 -4.96 120.64 117.36 1pux n GLU 26 Ca -0.02 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1pux n GLU 26 Cb 0.44 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1pux n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pux n GLY 27 N 1.28 0.73 3.76 0.62 0.00 0.58 -4.86 105.19 107.30 1pux n GLY 27 Ca -0.05 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1pux n GLY 27 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pux s TYR 28 N -2.00 2.64 0.07 1.61 1.13 -1.26 -4.93 117.35 114.61 1pux s TYR 28 Ca 0.00 1.44 -0.30 0.00 -1.41 0.00 0.00 57.07 56.80 1pux s TYR 28 Cb 0.00 -3.61 -0.05 0.00 -1.10 0.00 0.00 41.96 37.20 1pux s TYR 28 CO 0.00 -2.17 1.01 -0.65 -2.51 0.00 0.00 175.55 171.23 1pux s GLN 29 N -2.65 4.60 0.19 -3.49 -0.21 -1.24 -4.78 119.66 112.09 1pux s GLN 29 Ca 0.65 1.50 0.09 0.00 0.02 0.00 0.00 55.36 57.62 1pux s GLN 29 Cb -0.35 -3.40 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 1pux s GLN 29 CO 0.43 0.04 -0.18 0.95 -2.12 0.00 0.00 175.29 174.41 1pux s THR 30 N 0.50 1.93 0.02 -0.19 -4.23 -1.26 -2.87 115.64 109.54 1pux s THR 30 Ca 0.51 -2.08 -0.10 0.00 -1.18 0.00 0.00 61.69 58.83 1pux s THR 30 Cb -0.24 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.62 1pux s THR 30 CO 0.30 -0.40 0.20 0.12 -0.54 0.00 0.00 174.62 174.30 1pux s PHE 31 N -2.36 0.00 0.04 3.99 2.19 -1.21 -5.02 117.98 115.61 1pux s PHE 31 Ca 0.20 -0.13 0.06 0.00 0.33 0.00 0.00 56.93 57.39 1pux s PHE 31 Cb -0.04 -0.01 -0.03 0.00 -1.31 0.00 0.00 43.02 41.63 1pux s PHE 31 CO 0.08 -0.39 -0.14 -1.14 1.83 0.00 0.00 175.22 175.46 1pux s GLN 32 N -2.03 2.20 0.20 10.12 0.74 -1.25 0.28 119.66 129.92 1pux s GLN 32 Ca -0.09 -0.93 0.01 0.00 0.05 0.00 0.00 55.36 54.40 1pux s GLN 32 Cb -0.04 -2.28 -0.05 0.00 1.10 0.00 0.00 33.01 31.74 1pux s GLN 32 CO -0.01 0.55 0.07 0.00 -0.55 0.00 0.00 175.29 175.35 1pux s ALA 33 N -0.99 1.40 -0.36 1.58 0.00 -0.42 -4.97 121.76 118.01 1pux s ALA 33 Ca 0.16 -1.70 0.14 0.00 0.00 0.00 0.00 51.96 50.56 1pux s ALA 33 Cb -0.11 0.93 0.45 0.00 0.00 0.00 0.00 23.12 24.38 1pux s ALA 33 CO 0.07 -0.44 0.99 0.00 0.00 0.00 0.00 175.76 176.38 1pux n ALA 34 N -0.31 3.88 0.00 0.00 0.00 -1.26 -2.99 120.51 119.82 1pux n ALA 34 Ca -0.02 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 49.93 1pux n ALA 34 Cb 0.65 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1pux n ALA 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pux n ASN 35 N -0.18 0.00 -0.05 0.00 3.02 -1.26 -4.96 115.26 111.83 1pux n ASN 35 Ca 0.18 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.53 1pux n ASN 35 Cb 0.77 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.81 1pux n ASN 35 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1pux h GLY 36 N 0.00 0.12 0.84 7.41 0.00 -1.96 -3.21 103.07 106.28 1pux h GLY 36 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1pux h GLY 36 CO 0.00 0.28 -0.32 -2.00 0.00 0.00 0.00 176.54 174.50 1pux h LEU 37 N -0.68 -0.80 -1.71 3.11 6.46 -1.97 1.63 115.31 121.35 1pux h LEU 37 Ca -0.27 0.05 0.23 0.00 -0.12 0.00 0.00 57.88 57.78 1pux h LEU 37 Cb 1.46 0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 41.57 1pux h LEU 37 CO -0.05 -0.49 0.62 1.56 -0.62 0.00 0.00 178.44 179.46 1pux h GLN 38 N -0.77 0.22 0.05 1.25 4.20 -1.94 0.91 115.11 119.03 1pux h GLN 38 Ca -0.05 -0.01 -0.26 0.00 0.06 0.00 0.00 58.65 58.38 1pux h GLN 38 Cb 0.64 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1pux h GLN 38 CO 0.05 0.14 -1.31 0.00 -0.67 0.00 0.00 178.83 177.04 1pux h ALA 39 N 1.59 0.37 -0.35 3.87 0.00 -1.27 -2.49 119.26 120.97 1pux h ALA 39 Ca 0.46 -1.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1pux h ALA 39 Cb 1.44 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1pux h ALA 39 CO -0.11 1.24 -0.14 -0.07 0.00 0.00 0.00 179.25 180.17 1pux h LEU 40 N 0.03 0.72 -0.03 0.00 3.38 0.78 1.46 115.31 121.65 1pux h LEU 40 Ca -0.14 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 1pux h LEU 40 Cb 1.91 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1pux h LEU 40 CO 0.14 0.95 0.00 0.44 0.09 0.00 0.00 178.44 180.06 1pux h ASP 41 N 0.49 0.04 0.99 -0.43 5.19 0.43 -2.57 116.42 120.55 1pux h ASP 41 Ca 0.08 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.17 1pux h ASP 41 Cb 0.67 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.16 1pux h ASP 41 CO 0.04 0.33 -0.13 0.40 -3.12 0.00 0.00 179.24 176.77 1pux h ILE 42 N -0.24 0.32 -0.97 0.35 2.04 -1.40 -1.34 117.51 116.26 1pux h ILE 42 Ca 0.01 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.07 1pux h ILE 42 Cb 0.31 1.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 1pux h ILE 42 CO 0.00 0.13 0.62 0.58 0.00 0.00 0.00 178.15 179.48 1pux h VAL 43 N 0.00 1.05 0.06 1.67 2.07 0.25 1.22 116.25 122.55 1pux h VAL 43 Ca -0.00 -0.38 -0.32 0.00 0.82 0.00 0.00 66.70 66.82 1pux h VAL 43 Cb 0.66 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1pux h VAL 43 CO 0.02 0.20 -1.83 0.41 0.02 0.00 0.00 177.57 176.39 1pux n THR 44 N -4.55 1.69 -0.08 2.57 -1.04 -1.06 -0.52 114.28 111.28 1pux n THR 44 Ca 0.15 -0.74 -0.03 0.00 -2.04 0.00 0.00 64.05 61.40 1pux n THR 44 Cb 0.21 -1.35 0.20 0.00 -1.82 0.00 0.00 70.33 67.58 1pux n THR 44 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1pux h LYS 45 N 0.03 0.73 -0.01 -2.82 3.64 -0.78 -2.66 116.57 114.70 1pux h LYS 45 Ca -0.34 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1pux h LYS 45 Cb 2.02 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1pux h LYS 45 CO 0.08 0.73 -0.56 0.39 -2.27 0.00 0.00 179.45 177.82 1pux n GLU 46 N -4.24 1.43 -3.78 1.90 -0.58 0.41 -4.99 120.64 110.79 1pux n GLU 46 Ca 0.02 -0.52 -0.13 0.00 -0.42 0.00 0.00 57.16 56.11 1pux n GLU 46 Cb 0.28 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1pux n GLU 46 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1pux n ARG 47 N -0.63 -0.83 -2.53 3.49 1.85 0.32 -4.79 116.66 113.55 1pux n ARG 47 Ca 0.06 -0.34 -0.37 0.00 -1.00 0.00 0.00 57.85 56.20 1pux n ARG 47 Cb 0.34 -0.09 -0.04 0.00 -1.05 0.00 0.00 32.46 31.62 1pux n ARG 47 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1pux s PRO 48 N -5.63 4.19 0.00 2.89 0.04 -1.22 -4.83 135.00 130.44 1pux s PRO 48 Ca 0.13 1.54 0.23 0.00 0.04 0.00 0.00 61.00 62.95 1pux s PRO 48 Cb -0.08 -2.59 1.21 0.00 0.04 0.00 0.00 34.50 33.09 1pux s PRO 48 CO 0.28 -0.13 1.77 -0.25 0.04 0.00 0.00 177.00 178.72 1pux n ASP 49 N 0.01 0.00 -3.54 6.66 9.92 0.23 -4.75 116.55 125.08 1pux n ASP 49 Ca 0.05 -0.15 -0.17 0.00 -0.53 0.00 0.00 54.79 53.99 1pux n ASP 49 Cb 0.49 -0.24 -0.06 0.00 -0.64 0.00 0.00 41.12 40.67 1pux n ASP 49 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1pux s LEU 50 N -2.49 -0.63 0.02 0.64 2.96 -1.11 -4.96 118.68 113.12 1pux s LEU 50 Ca 0.24 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.93 1pux s LEU 50 Cb 0.16 2.45 -0.02 0.00 0.50 0.00 0.00 46.19 49.28 1pux s LEU 50 CO 0.34 -0.54 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.07 1pux s VAL 51 N -1.00 0.51 -0.18 1.68 1.01 -1.21 -1.60 120.40 119.61 1pux s VAL 51 Ca -0.09 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1pux s VAL 51 Cb -0.01 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1pux s VAL 51 CO 0.08 -0.18 -0.17 -0.22 0.00 0.00 0.00 175.10 174.61 1pux s LEU 52 N -1.01 2.18 -0.03 3.92 0.20 0.15 -1.80 118.68 122.30 1pux s LEU 52 Ca -0.05 -0.71 0.02 0.00 0.69 0.00 0.00 54.13 54.09 1pux s LEU 52 Cb -0.07 -1.41 0.00 0.00 -0.43 0.00 0.00 46.19 44.29 1pux s LEU 52 CO 0.00 -0.04 -0.09 -0.22 -0.29 0.00 0.00 176.35 175.71 1pux s LEU 53 N 1.32 1.80 -0.15 -0.68 1.98 -0.54 0.17 118.68 122.58 1pux s LEU 53 Ca 0.03 -0.19 -0.07 0.00 -2.89 0.00 0.00 54.13 51.01 1pux s LEU 53 Cb -0.14 -0.55 -0.04 0.00 0.66 0.00 0.00 46.19 46.12 1pux s LEU 53 CO -0.11 0.07 0.11 -0.62 -1.89 0.00 0.00 176.35 173.90 1pux s ASP 54 N 0.18 6.10 0.01 3.68 -1.08 -1.06 -2.93 116.67 121.57 1pux s ASP 54 Ca -0.03 0.30 -0.04 0.00 -0.52 0.00 0.00 52.55 52.26 1pux s ASP 54 Cb -0.08 -2.00 -0.02 0.00 -1.46 0.00 0.00 42.92 39.35 1pux s ASP 54 CO 0.00 0.30 1.07 0.24 0.52 0.00 0.00 175.17 177.30 1pux h MET 55 N 5.78 -0.14 -5.12 4.34 2.86 -1.91 -3.40 114.93 117.35 1pux h MET 55 Ca -0.47 0.01 -0.42 0.00 -2.06 0.00 0.00 59.70 56.76 1pux h MET 55 Cb 1.19 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.81 1pux h MET 55 CO 0.65 -0.10 1.68 1.17 1.06 0.00 0.00 176.91 181.37 1pux n LYS 56 N -2.46 0.20 -4.05 1.72 4.81 -1.26 -1.78 118.16 115.34 1pux n LYS 56 Ca -0.02 -0.07 -0.31 0.00 -0.87 0.00 0.00 58.31 57.04 1pux n LYS 56 Cb 0.06 -1.84 -0.16 0.00 0.02 0.00 0.00 35.03 33.11 1pux n LYS 56 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1pux s ILE 57 N 7.54 1.73 0.12 3.15 1.01 -1.26 -4.82 121.20 128.68 1pux s ILE 57 Ca 1.26 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 1pux s ILE 57 Cb -0.90 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 39.88 1pux s ILE 57 CO 0.44 0.44 1.14 -2.16 0.00 0.00 0.00 174.94 174.81 1pux s PRO 58 N 1.41 4.52 0.00 2.79 0.04 -1.26 -1.56 135.00 140.94 1pux s PRO 58 Ca 0.04 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1pux s PRO 58 Cb -0.13 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1pux s PRO 58 CO -0.11 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1pux n GLY 59 N 2.55 1.72 0.00 0.56 0.00 -1.26 -4.83 105.19 103.92 1pux n GLY 59 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pux n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pux n MET 60 N -2.00 0.00 -0.78 1.61 0.00 -1.09 -5.16 117.12 109.70 1pux n MET 60 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.70 57.37 1pux n MET 60 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 33.22 33.34 1pux n MET 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1pux n ASP 61 N 0.00 -2.62 -0.14 6.12 5.68 -0.60 -4.50 116.55 120.48 1pux n ASP 61 Ca 0.00 -0.10 0.11 0.00 -0.50 0.00 0.00 54.79 54.29 1pux n ASP 61 Cb 0.00 -0.77 -0.01 0.00 -1.14 0.00 0.00 41.12 39.19 1pux n ASP 61 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pux n GLY 62 N 2.59 -0.74 0.40 6.12 0.00 -0.73 -4.31 105.19 108.52 1pux n GLY 62 Ca -0.00 -0.57 0.27 0.00 0.00 0.00 0.00 46.02 45.72 1pux n GLY 62 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pux h ILE 63 N 0.70 0.34 0.00 -0.61 2.04 -1.91 0.60 117.51 118.66 1pux h ILE 63 Ca 0.00 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 1pux h ILE 63 Cb 0.57 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1pux h ILE 63 CO 0.00 0.05 -0.85 -0.33 0.00 0.00 0.00 178.15 177.02 1pux h GLU 64 N 0.28 0.00 -0.23 2.37 4.39 -1.96 -3.12 114.58 116.31 1pux h GLU 64 Ca 0.71 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.44 1pux h GLU 64 Cb 1.88 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.48 1pux h GLU 64 CO -0.42 0.83 -0.38 0.82 -1.16 0.00 0.00 179.01 178.70 1pux h ILE 65 N -1.00 0.00 -0.54 3.13 1.08 -1.39 1.47 117.51 120.25 1pux h ILE 65 Ca -0.22 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.40 1pux h ILE 65 Cb 1.09 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 1pux h ILE 65 CO -0.13 0.00 0.39 -0.07 -0.69 0.00 0.00 178.15 177.64 1pux h LEU 66 N -0.30 0.07 0.33 1.44 -0.00 -0.06 0.75 115.31 117.53 1pux h LEU 66 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1pux h LEU 66 Cb 0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1pux h LEU 66 CO -0.38 0.04 -0.16 0.11 -0.00 0.00 0.00 178.44 178.04 1pux h LYS 67 N 0.08 -0.43 -0.20 1.13 1.57 0.25 -1.83 116.57 117.13 1pux h LYS 67 Ca 0.26 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.13 1pux h LYS 67 Cb 0.93 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1pux h LYS 67 CO -0.02 -0.29 0.19 0.00 -0.57 0.00 0.00 179.45 178.76 1pux h ARG 68 N -0.66 0.00 -0.00 3.15 3.08 0.23 0.66 114.38 120.83 1pux h ARG 68 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1pux h ARG 68 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1pux h ARG 68 CO 0.08 0.00 0.00 0.52 -1.07 0.00 0.00 179.97 179.50 1pux h MET 69 N 0.00 0.01 0.06 0.04 2.86 0.56 0.38 114.93 118.84 1pux h MET 69 Ca 0.10 -0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.48 1pux h MET 69 Cb 0.47 -0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.15 1pux h MET 69 CO -0.00 0.23 -1.04 1.57 1.06 0.00 0.00 176.91 178.73 1pux h LYS 70 N -0.22 0.59 -0.15 1.72 5.09 -0.39 -2.89 116.57 120.32 1pux h LYS 70 Ca 0.00 -0.73 -0.01 0.00 0.09 0.00 0.00 60.65 60.01 1pux h LYS 70 Cb 0.23 0.23 -0.01 0.00 0.10 0.00 0.00 32.23 32.78 1pux h LYS 70 CO 0.00 1.31 0.06 0.28 -2.09 0.00 0.00 179.45 179.01 1pux h VAL 71 N 0.21 1.06 -0.38 0.07 2.07 0.28 -1.23 116.25 118.32 1pux h VAL 71 Ca -0.15 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 1pux h VAL 71 Cb 1.73 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1pux h VAL 71 CO 0.20 0.07 -0.23 0.40 0.02 0.00 0.00 177.57 178.03 1pux h ILE 72 N 0.20 1.28 -2.80 4.57 1.08 -0.20 -3.47 117.51 118.18 1pux h ILE 72 Ca 0.05 -1.38 -0.01 0.00 -0.39 0.00 0.00 64.86 63.14 1pux h ILE 72 Cb 0.04 1.35 -0.13 0.00 -3.07 0.00 0.00 36.82 35.01 1pux h ILE 72 CO -0.01 0.46 0.24 -1.81 -0.69 0.00 0.00 178.15 176.34 1pux s ASP 73 N -6.58 -0.56 -0.02 1.72 1.01 -0.46 -5.04 116.67 106.74 1pux s ASP 73 Ca -0.12 0.08 0.20 0.00 0.71 0.00 0.00 52.55 53.42 1pux s ASP 73 Cb 0.10 0.57 -0.28 0.00 1.01 0.00 0.00 42.92 44.32 1pux s ASP 73 CO 0.84 -0.89 0.61 -1.84 0.21 0.00 0.00 175.17 174.11 1pux n GLU 74 N -0.22 0.54 0.19 8.23 0.28 -1.25 -4.03 120.64 124.39 1pux n GLU 74 Ca -0.16 -0.11 0.14 0.00 -0.16 0.00 0.00 57.16 56.87 1pux n GLU 74 Cb 0.64 -1.47 0.54 0.00 1.43 0.00 0.00 31.44 32.58 1pux n GLU 74 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 1pux h ASN 75 N 0.00 0.00 -2.80 -1.84 7.08 -1.94 -3.43 115.58 112.64 1pux h ASN 75 Ca 0.00 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 52.69 1pux h ASN 75 Cb 0.75 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 37.02 1pux h ASN 75 CO 0.00 0.00 0.90 -0.51 -2.08 0.00 0.00 177.43 175.74 1pux s ILE 76 N -3.43 2.99 -0.25 6.14 2.07 -1.26 -4.98 121.20 122.48 1pux s ILE 76 Ca 0.04 0.60 0.02 0.00 -1.41 0.00 0.00 60.65 59.90 1pux s ILE 76 Cb 0.09 -3.38 0.06 0.00 0.13 0.00 0.00 42.46 39.36 1pux s ILE 76 CO 0.49 0.02 -0.09 -0.60 -1.91 0.00 0.00 174.94 172.85 1pux s ARG 77 N 1.85 2.04 -0.00 3.50 3.52 -1.26 -4.93 118.95 123.66 1pux s ARG 77 Ca 0.70 -1.24 -0.04 0.00 -0.13 0.00 0.00 55.73 55.02 1pux s ARG 77 Cb -0.40 -2.80 -0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1pux s ARG 77 CO 0.31 -0.58 0.07 0.54 -0.81 0.00 0.00 175.30 174.83 1pux s VAL 78 N 1.19 0.06 -0.05 7.11 0.11 -1.26 -3.29 120.40 124.27 1pux s VAL 78 Ca -0.08 -0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1pux s VAL 78 Cb -0.20 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1pux s VAL 78 CO -0.05 -0.28 0.07 -0.63 -3.33 0.00 0.00 175.10 170.87 1pux s ILE 79 N -0.91 4.75 0.13 7.04 -1.09 -0.75 -3.75 121.20 126.61 1pux s ILE 79 Ca -0.10 -0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 1pux s ILE 79 Cb -0.06 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 1pux s ILE 79 CO 0.00 0.47 0.27 0.27 -1.23 0.00 0.00 174.94 174.73 1pux s ILE 80 N -1.07 5.33 -0.04 2.92 -5.25 -1.25 -1.46 121.20 120.38 1pux s ILE 80 Ca 0.19 -0.56 -0.01 0.00 -0.99 0.00 0.00 60.65 59.28 1pux s ILE 80 Cb -0.12 -3.71 0.03 0.00 2.95 0.00 0.00 42.46 41.61 1pux s ILE 80 CO 0.09 -0.03 0.03 -0.04 -1.79 0.00 0.00 174.94 173.19 1pux s MET 81 N -3.03 0.14 0.00 0.37 1.00 -1.15 -2.68 119.30 113.96 1pux s MET 81 Ca 0.35 0.20 0.00 0.00 0.00 0.00 0.00 55.69 56.24 1pux s MET 81 Cb -0.12 -0.49 0.00 0.00 0.00 0.00 0.00 34.83 34.22 1pux s MET 81 CO 0.28 -0.22 0.00 -2.37 0.00 0.00 0.00 175.02 172.71 1pux n THR 82 N 4.62 0.00 -0.94 2.05 5.66 -0.87 -2.94 114.28 121.86 1pux n THR 82 Ca -0.18 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.49 1pux n THR 82 Cb 0.50 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.41 1pux n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pux n ALA 83 N -0.06 -1.22 -0.81 1.79 0.00 -1.26 -3.71 120.51 115.24 1pux n ALA 83 Ca 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 1pux n ALA 83 Cb 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 19.45 17.32 1pux n ALA 83 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1pux n TYR 84 N -3.47 0.08 0.70 0.00 4.11 -1.26 -3.80 117.16 113.53 1pux n TYR 84 Ca 0.11 -1.32 0.08 0.00 -0.00 0.00 0.00 57.90 56.76 1pux n TYR 84 Cb 0.52 -1.13 0.01 0.00 -0.00 0.00 0.00 39.34 38.74 1pux n TYR 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pux n GLY 85 N 1.99 -0.01 2.67 -7.48 0.00 -1.26 -4.53 105.19 96.57 1pux n GLY 85 Ca 0.25 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1pux n GLY 85 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pux n GLU 86 N 0.04 1.15 -0.35 1.61 0.28 -1.25 -4.92 120.64 117.20 1pux n GLU 86 Ca 0.07 -3.16 0.25 0.00 -0.16 0.00 0.00 57.16 54.16 1pux n GLU 86 Cb 0.35 -1.17 0.50 0.00 1.43 0.00 0.00 31.44 32.55 1pux n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1pux h LEU 87 N 2.93 0.48 -0.86 -1.84 3.38 -1.85 0.91 115.31 118.45 1pux h LEU 87 Ca -0.11 0.14 0.20 0.00 0.09 0.00 0.00 57.88 58.20 1pux h LEU 87 Cb 1.19 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.90 1pux h LEU 87 CO 0.46 -0.04 0.35 0.44 0.09 0.00 0.00 178.44 179.74 1pux h ASP 88 N 0.35 0.26 0.01 -0.43 5.19 -1.98 1.63 116.42 121.45 1pux h ASP 88 Ca 0.69 0.15 -0.11 0.00 -0.62 0.00 0.00 57.03 57.15 1pux h ASP 88 Cb 1.70 0.14 0.01 0.00 0.18 0.00 0.00 39.33 41.36 1pux h ASP 88 CO -0.46 0.00 -0.43 -0.03 -3.12 0.00 0.00 179.24 175.20 1pux h MET 89 N 0.38 0.28 -0.35 3.56 4.05 0.39 -2.92 114.93 120.31 1pux h MET 89 Ca 0.52 -0.31 0.04 0.00 -0.28 0.00 0.00 59.70 59.67 1pux h MET 89 Cb 0.96 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.82 1pux h MET 89 CO -0.52 1.02 0.14 0.82 0.23 0.00 0.00 176.91 178.60 1pux h ILE 90 N -0.33 0.92 -0.17 1.77 5.03 -0.02 -0.52 117.51 124.19 1pux h ILE 90 Ca -0.06 -0.10 0.05 0.00 -0.12 0.00 0.00 64.86 64.63 1pux h ILE 90 Cb 1.18 0.60 -0.06 0.00 -3.03 0.00 0.00 36.82 35.50 1pux h ILE 90 CO 0.08 0.05 -0.22 1.56 -0.68 0.00 0.00 178.15 178.95 1pux h GLN 91 N 0.30 -0.25 -0.85 2.37 1.08 0.22 0.28 115.11 118.26 1pux h GLN 91 Ca 0.16 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.47 1pux h GLN 91 Cb 0.11 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.54 1pux h GLN 91 CO -0.15 -0.16 0.55 0.93 -0.95 0.00 0.00 178.83 179.05 1pux h GLU 92 N -0.26 0.79 -0.55 1.46 5.08 -1.23 0.17 114.58 120.04 1pux h GLU 92 Ca 0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1pux h GLU 92 Cb 0.42 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1pux h GLU 92 CO -0.31 0.52 0.26 0.66 -1.00 0.00 0.00 179.01 179.14 1pux h SER 93 N 0.81 0.72 -0.11 1.42 4.64 0.60 0.63 113.55 122.25 1pux h SER 93 Ca 0.40 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1pux h SER 93 Cb 0.45 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1pux h SER 93 CO -0.16 0.64 0.00 0.50 -0.87 0.00 0.00 176.83 176.94 1pux h LYS 94 N 0.74 0.20 0.00 4.77 3.64 0.56 -2.09 116.57 124.39 1pux h LYS 94 Ca 0.19 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1pux h LYS 94 Cb 0.12 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1pux h LYS 94 CO -0.02 0.44 0.00 -0.85 -2.27 0.00 0.00 179.45 176.74 1pux n GLU 95 N -4.81 0.05 0.17 1.90 0.28 0.45 -1.57 120.64 117.11 1pux n GLU 95 Ca -0.06 0.29 0.13 0.00 -0.16 0.00 0.00 57.16 57.36 1pux n GLU 95 Cb 0.20 -1.59 0.40 0.00 1.43 0.00 0.00 31.44 31.87 1pux n GLU 95 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1pux h LEU 96 N 0.00 0.00 0.00 -1.84 4.07 0.96 -3.46 115.31 115.04 1pux h LEU 96 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pux h LEU 96 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1pux h LEU 96 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1pux n GLY 97 N 0.82 1.81 3.88 0.83 0.00 -0.61 -4.81 105.19 107.11 1pux n GLY 97 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1pux n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pux s ALA 98 N -2.00 3.43 0.13 4.61 0.00 -1.07 -4.91 121.76 121.95 1pux s ALA 98 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 1pux s ALA 98 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 1pux s ALA 98 CO 0.00 0.10 1.67 -0.07 0.00 0.00 0.00 175.76 177.46 1pux h LEU 99 N 1.48 -0.47 0.00 0.00 -0.00 -1.90 -3.45 115.31 110.97 1pux h LEU 99 Ca -0.47 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1pux h LEU 99 Cb 1.19 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 42.07 1pux h LEU 99 CO 0.65 -0.20 0.00 1.07 -0.00 0.00 0.00 178.44 179.96 1pux n THR 100 N -5.30 0.00 -3.74 0.22 5.66 -1.26 -5.02 114.28 104.85 1pux n THR 100 Ca -0.03 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.84 1pux n THR 100 Cb 0.21 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.86 1pux n THR 100 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1pux s HIS 101 N -3.16 -0.25 0.21 1.09 -3.43 -1.26 -3.78 115.29 104.70 1pux s HIS 101 Ca 0.00 0.65 0.09 0.00 -0.80 0.00 0.00 55.06 55.00 1pux s HIS 101 Cb 0.00 -0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 31.09 1pux s HIS 101 CO 0.00 -0.20 -0.05 -0.06 -2.00 0.00 0.00 174.74 172.43 1pux s PHE 102 N 1.24 2.69 0.03 0.38 0.08 -1.09 -5.04 117.98 116.26 1pux s PHE 102 Ca -0.09 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.76 1pux s PHE 102 Cb -0.11 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 1pux s PHE 102 CO -0.07 0.56 0.08 0.00 -0.10 0.00 0.00 175.22 175.69 1pux s ALA 103 N -1.95 3.58 0.10 5.36 0.00 -1.25 -2.04 121.76 125.56 1pux s ALA 103 Ca 0.28 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 1pux s ALA 103 Cb -0.08 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.52 1pux s ALA 103 CO 0.17 0.72 0.83 1.63 0.00 0.00 0.00 175.76 179.11 1pux n LYS 104 N 0.89 -0.21 -2.30 0.00 4.01 -1.24 -2.96 118.16 116.34 1pux n LYS 104 Ca -0.11 0.81 -0.38 0.00 -0.51 0.00 0.00 58.31 58.12 1pux n LYS 104 Cb 0.52 -1.20 -0.03 0.00 -0.51 0.00 0.00 35.03 33.81 1pux n LYS 104 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1pux s PRO 105 N -5.33 2.98 0.12 1.97 0.04 -1.26 -4.95 135.00 128.56 1pux s PRO 105 Ca -0.07 -0.15 0.06 0.00 0.04 0.00 0.00 61.00 60.88 1pux s PRO 105 Cb 0.07 -4.63 -0.04 0.00 0.04 0.00 0.00 34.50 29.95 1pux s PRO 105 CO 0.34 -2.56 -0.14 -0.59 0.04 0.00 0.00 177.00 174.09 1pux s PHE 106 N 7.42 1.35 0.01 0.56 -0.12 -1.16 -5.15 117.98 120.89 1pux s PHE 106 Ca 0.53 -0.56 0.05 0.00 -0.05 0.00 0.00 56.93 56.90 1pux s PHE 106 Cb -0.08 -0.71 -0.03 0.00 -0.63 0.00 0.00 43.02 41.57 1pux s PHE 106 CO 0.09 0.12 -0.14 0.34 -0.05 0.00 0.00 175.22 175.58 1pux s ASP 107 N -2.40 4.09 0.28 1.98 -1.08 -1.26 -5.01 116.67 113.27 1pux s ASP 107 Ca 0.08 -0.28 0.02 0.00 -0.52 0.00 0.00 52.55 51.84 1pux s ASP 107 Cb -0.05 -0.81 0.41 0.00 -1.46 0.00 0.00 42.92 41.02 1pux s ASP 107 CO 0.03 0.29 1.75 0.40 0.52 0.00 0.00 175.17 178.15 1pux h ILE 108 N 4.00 1.25 -0.63 4.11 5.03 -2.01 0.22 117.51 129.47 1pux h ILE 108 Ca -0.47 -1.15 -0.02 0.00 -0.12 0.00 0.00 64.86 63.09 1pux h ILE 108 Cb 1.16 1.20 -0.03 0.00 -3.03 0.00 0.00 36.82 36.12 1pux h ILE 108 CO 0.50 0.38 0.31 -0.78 -0.68 0.00 0.00 178.15 177.87 1pux h ASP 109 N 0.50 0.82 1.02 1.72 1.82 -1.99 0.47 116.42 120.79 1pux h ASP 109 Ca 0.08 -0.13 -0.12 0.00 -0.39 0.00 0.00 57.03 56.48 1pux h ASP 109 Cb 0.58 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 1pux h ASP 109 CO 0.04 0.72 -0.57 1.05 -1.61 0.00 0.00 179.24 178.87 1pux h GLU 110 N 0.87 0.00 0.00 0.28 4.11 -1.88 -2.91 114.58 115.05 1pux h GLU 110 Ca 0.22 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.60 1pux h GLU 110 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1pux h GLU 110 CO -0.03 0.57 -0.25 0.82 0.07 0.00 0.00 179.01 180.19 1pux h ILE 111 N 0.00 0.45 0.00 -1.06 2.04 0.14 -2.94 117.51 116.15 1pux h ILE 111 Ca -0.01 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 1pux h ILE 111 Cb 1.23 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1pux h ILE 111 CO 0.07 0.24 -0.16 0.03 0.00 0.00 0.00 178.15 178.34 1pux h ARG 112 N 0.00 0.00 0.13 2.37 2.47 0.14 0.24 114.38 119.73 1pux h ARG 112 Ca -0.00 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.41 1pux h ARG 112 Cb 1.10 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1pux h ARG 112 CO 0.03 0.16 -1.57 0.22 0.56 0.00 0.00 179.97 179.37 1pux h ASP 113 N 0.00 0.44 0.48 7.04 3.58 -1.58 -3.29 116.42 123.10 1pux h ASP 113 Ca -0.00 -0.88 -0.08 0.00 0.42 0.00 0.00 57.03 56.49 1pux h ASP 113 Cb 0.56 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1pux h ASP 113 CO 0.02 1.69 -0.37 0.00 -2.88 0.00 0.00 179.24 177.70 1pux h ALA 114 N -0.00 1.26 -0.02 -0.78 0.00 -1.34 -2.05 119.26 116.32 1pux h ALA 114 Ca -0.33 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1pux h ALA 114 Cb 1.88 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1pux h ALA 114 CO 0.09 0.47 -0.19 0.28 0.00 0.00 0.00 179.25 179.89 1pux h VAL 115 N 0.00 1.15 -0.17 0.00 2.07 -0.62 0.70 116.25 119.37 1pux h VAL 115 Ca -0.00 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1pux h VAL 115 Cb 0.71 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1pux h VAL 115 CO 0.05 0.20 0.09 0.50 0.02 0.00 0.00 177.57 178.43 1pux h LYS 116 N 0.03 0.25 -0.01 1.57 3.64 -1.43 1.01 116.57 121.63 1pux h LYS 116 Ca 0.00 -0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 59.11 1pux h LYS 116 Cb 0.36 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1pux h LYS 116 CO 0.03 0.27 -0.98 0.87 -2.27 0.00 0.00 179.45 177.36 1pux h LYS 117 N 0.16 0.57 -0.31 1.90 1.57 -1.45 -3.27 116.57 115.73 1pux h LYS 117 Ca 0.06 -0.60 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1pux h LYS 117 Cb 0.10 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1pux h LYS 117 CO -0.01 1.22 0.13 -0.92 -0.57 0.00 0.00 179.45 179.30 1pux h TYR 118 N 0.32 0.47 -3.20 -1.35 5.03 0.60 -3.44 116.97 115.40 1pux h TYR 118 Ca -0.10 -0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.02 1pux h TYR 118 Cb 1.63 -0.14 -0.25 0.00 1.55 0.00 0.00 36.73 39.52 1pux h TYR 118 CO 0.08 0.44 -0.43 -1.17 -1.32 0.00 0.00 178.16 175.76 1pux s LEU 119 N -9.84 1.14 -0.98 2.82 1.98 0.35 -5.04 118.68 109.10 1pux s LEU 119 Ca -0.13 0.35 -0.07 0.00 -2.89 0.00 0.00 54.13 51.39 1pux s LEU 119 Cb 0.09 0.83 -0.10 0.00 0.66 0.00 0.00 46.19 47.67 1pux s LEU 119 CO 0.73 -0.15 2.56 -0.81 -1.89 0.00 0.00 176.35 176.79 1pux n PRO 120 N 2.61 2.53 -2.44 0.98 -0.04 -1.25 -3.79 135.00 133.60 1pux n PRO 120 Ca -0.15 -1.57 -0.26 0.00 -0.04 0.00 0.00 63.50 61.48 1pux n PRO 120 Cb 0.58 -2.46 0.04 0.00 -0.04 0.00 0.00 33.50 31.62 1pux n PRO 120 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1pux s LEU 121 N 0.10 3.21 -0.51 1.53 2.96 -1.26 -4.91 118.68 119.79 1pux s LEU 121 Ca 0.52 0.56 -0.38 0.00 -0.22 0.00 0.00 54.13 54.62 1pux s LEU 121 Cb 0.16 -3.37 -0.16 0.00 0.50 0.00 0.00 46.19 43.32 1pux s LEU 121 CO -0.04 -1.13 2.25 1.17 -1.32 0.00 0.00 176.35 177.29 1pux n LYS 122 N -2.57 0.47 -1.61 1.98 4.81 -1.26 -4.76 118.16 115.22 1pux n LYS 122 Ca 0.05 0.11 -0.50 0.00 -0.87 0.00 0.00 58.31 57.10 1pux n LYS 122 Cb 0.58 -1.97 -0.05 0.00 0.02 0.00 0.00 35.03 33.61 1pux n LYS 122 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1pux n SER 123 N 9.26 1.94 0.00 3.14 2.88 -1.26 -5.04 113.62 124.54 1pux n SER 123 Ca 0.50 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 59.16 1pux n SER 123 Cb 0.10 -1.25 0.01 0.00 -0.75 0.00 0.00 64.21 62.33 1pux n SER 123 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61