#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 -0.68 0.00 0.03 0.00 -1.26 -5.19 117.12 110.02 1pux n MET 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1pux n MET 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1pux n MET 2 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1pux n ASN 3 N 0.00 0.00 0.00 6.12 5.15 -1.26 -5.19 115.26 120.08 1pux n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1pux n ASN 3 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1pux n ASN 3 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1pux n GLU 4 N -0.36 0.00 -3.89 1.20 1.02 -1.26 -5.08 120.64 112.27 1pux n GLU 4 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1pux n GLU 4 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1pux n GLU 4 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1pux s LYS 5 N -2.00 0.85 -0.16 3.49 3.01 -1.26 -4.04 119.74 119.63 1pux s LYS 5 Ca 0.00 -1.01 -0.29 0.00 -1.01 0.00 0.00 55.97 53.66 1pux s LYS 5 Cb 0.00 0.33 0.10 0.00 -1.01 0.00 0.00 37.83 37.26 1pux s LYS 5 CO 0.00 -0.26 0.89 0.42 0.51 0.00 0.00 175.35 176.90 1pux s ILE 6 N -3.88 0.00 0.02 2.17 1.09 -1.14 -2.31 121.20 117.16 1pux s ILE 6 Ca 0.06 0.00 0.03 0.00 -1.10 0.00 0.00 60.65 59.64 1pux s ILE 6 Cb 0.05 -1.00 -0.01 0.00 -1.06 0.00 0.00 42.46 40.44 1pux s ILE 6 CO -0.10 0.00 -0.08 -0.22 -0.10 0.00 0.00 174.94 174.44 1pux s LEU 7 N -0.76 2.11 -0.33 2.97 2.96 -0.66 -3.38 118.68 121.59 1pux s LEU 7 Ca -0.03 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1pux s LEU 7 Cb -0.02 -0.34 0.07 0.00 0.50 0.00 0.00 46.19 46.40 1pux s LEU 7 CO 0.03 -0.01 0.06 -0.63 -1.32 0.00 0.00 176.35 174.47 1pux s ILE 8 N -0.64 2.97 -0.22 6.68 1.01 0.14 -1.52 121.20 129.62 1pux s ILE 8 Ca -0.01 -1.68 -0.08 0.00 0.00 0.00 0.00 60.65 58.88 1pux s ILE 8 Cb -0.06 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1pux s ILE 8 CO 0.00 -0.32 0.07 -0.69 0.00 0.00 0.00 174.94 174.01 1pux s VAL 9 N 1.18 4.58 0.06 2.92 1.01 0.48 -2.20 120.40 128.43 1pux s VAL 9 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1pux s VAL 9 Cb -0.21 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1pux s VAL 9 CO -0.03 0.38 0.00 0.47 0.00 0.00 0.00 175.10 175.92 1pux n ASP 10 N 4.35 -2.53 0.00 3.32 8.00 -0.88 -3.13 116.55 125.68 1pux n ASP 10 Ca -0.16 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1pux n ASP 10 Cb 0.52 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 -4.01 -4.61 -4.59 -2.24 2.03 -1.26 -4.63 116.55 97.24 1pux n ASP 11 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.89 1pux n ASP 11 Cb 0.11 -2.63 -0.02 0.00 -0.72 0.00 0.00 41.12 37.86 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 -1.40 3.56 0.00 -0.67 -2.07 -1.26 -4.72 119.66 113.11 1pux s GLN 12 Ca 0.00 0.58 0.17 0.00 -1.82 0.00 0.00 55.36 54.29 1pux s GLN 12 Cb 0.00 -4.00 0.29 0.00 -1.09 0.00 0.00 33.01 28.21 1pux s GLN 12 CO 0.00 -1.59 1.10 0.98 -1.32 0.00 0.00 175.29 174.45 1pux n TYR 13 N 8.55 0.00 0.00 9.60 4.19 -1.26 -4.94 117.16 133.29 1pux n TYR 13 Ca 0.13 -0.39 0.00 0.00 3.31 0.00 0.00 57.90 60.95 1pux n TYR 13 Cb 0.49 -0.05 0.00 0.00 0.49 0.00 0.00 39.34 40.27 1pux n TYR 13 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1pux n GLY 14 N 0.34 0.38 0.12 2.98 0.00 -1.26 -4.92 105.19 102.83 1pux n GLY 14 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 1.36 -0.94 -0.61 5.03 -1.92 -3.27 117.51 117.16 1pux h ILE 15 Ca 0.00 -2.89 0.23 0.00 -0.12 0.00 0.00 64.86 62.08 1pux h ILE 15 Cb 0.00 2.95 -0.12 0.00 -3.03 0.00 0.00 36.82 36.61 1pux h ILE 15 CO 0.00 0.86 0.49 0.08 -0.68 0.00 0.00 178.15 178.90 1pux h ARG 16 N 0.10 0.48 -0.23 2.37 0.11 -1.91 0.26 114.38 115.56 1pux h ARG 16 Ca -0.20 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 59.82 1pux h ARG 16 Cb 2.05 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 33.01 1pux h ARG 16 CO 0.22 0.32 0.03 0.82 0.10 0.00 0.00 179.97 181.46 1pux h ILE 17 N 0.50 1.23 -0.62 0.08 2.04 -1.97 0.38 117.51 119.15 1pux h ILE 17 Ca 0.59 -0.77 0.09 0.00 1.00 0.00 0.00 64.86 65.77 1pux h ILE 17 Cb 1.11 1.29 -0.11 0.00 -0.74 0.00 0.00 36.82 38.38 1pux h ILE 17 CO -0.49 0.24 -0.45 0.25 0.00 0.00 0.00 178.15 177.70 1pux h LEU 18 N 0.19 -1.56 -1.01 1.44 5.85 -0.56 1.12 115.31 120.79 1pux h LEU 18 Ca 0.07 0.25 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 1pux h LEU 18 Cb 0.33 0.71 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1pux h LEU 18 CO 0.01 -0.33 -0.20 0.17 -0.34 0.00 0.00 178.44 177.75 1pux h LEU 19 N -0.21 0.00 0.60 2.25 8.10 -1.28 -2.82 115.31 121.95 1pux h LEU 19 Ca 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.14 1pux h LEU 19 Cb 0.56 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.78 1pux h LEU 19 CO -0.71 0.20 -0.29 -1.13 -4.11 0.00 0.00 178.44 172.39 1pux h ASN 20 N 0.00 -0.69 -0.15 0.17 -1.24 0.53 -1.08 115.58 113.12 1pux h ASN 20 Ca -0.00 0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.08 1pux h ASN 20 Cb 0.78 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 1pux h ASN 20 CO 0.03 -0.44 0.21 -0.08 -1.29 0.00 0.00 177.43 175.85 1pux h GLU 21 N -0.91 0.00 0.03 6.67 4.81 0.24 2.63 114.58 128.06 1pux h GLU 21 Ca -0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1pux h GLU 21 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1pux h GLU 21 CO 0.14 0.00 -0.01 0.28 -0.73 0.00 0.00 179.01 178.68 1pux h VAL 22 N 0.00 1.23 0.00 0.32 2.07 -1.20 -3.13 116.25 115.54 1pux h VAL 22 Ca 0.07 -0.82 -0.22 0.00 0.82 0.00 0.00 66.70 66.56 1pux h VAL 22 Cb 0.49 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1pux h VAL 22 CO -0.00 0.21 -1.31 -0.26 0.02 0.00 0.00 177.57 176.23 1pux h PHE 23 N -0.40 0.00 -1.04 1.57 0.04 0.19 -3.32 116.94 113.98 1pux h PHE 23 Ca -0.00 0.00 0.26 0.00 2.80 0.00 0.00 57.97 61.03 1pux h PHE 23 Cb 0.37 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.42 1pux h PHE 23 CO 0.05 0.83 0.65 -0.97 -0.60 0.00 0.00 178.31 178.27 1pux h ASN 24 N 0.00 0.51 -0.01 2.17 -1.24 0.45 1.57 115.58 119.03 1pux h ASN 24 Ca -0.15 0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1pux h ASN 24 Cb 1.77 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 40.84 1pux h ASN 24 CO 0.08 0.09 0.39 0.11 -1.29 0.00 0.00 177.43 176.81 1pux h LYS 25 N 0.44 0.00 0.00 6.67 1.57 -1.64 1.79 116.57 125.40 1pux h LYS 25 Ca 0.62 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.32 1pux h LYS 25 Cb 1.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1pux h LYS 25 CO -0.35 0.00 -1.04 0.93 -0.57 0.00 0.00 179.45 178.41 1pux h GLU 26 N 0.00 0.00 0.00 3.15 5.08 0.20 -3.48 114.58 119.54 1pux h GLU 26 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pux h GLU 26 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1pux h GLU 26 CO -0.00 0.17 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 1pux n GLY 27 N 1.27 0.62 3.75 -3.84 0.00 0.61 -4.96 105.19 102.64 1pux n GLY 27 Ca -0.03 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 2.40 0.01 1.61 1.13 -1.26 -4.97 117.35 114.27 1pux s TYR 28 Ca 0.00 1.50 -0.30 0.00 -1.41 0.00 0.00 57.07 56.86 1pux s TYR 28 Cb 0.00 -3.53 -0.03 0.00 -1.10 0.00 0.00 41.96 37.30 1pux s TYR 28 CO 0.00 -2.28 0.98 -1.14 -2.51 0.00 0.00 175.55 170.59 1pux s GLN 29 N -3.22 4.57 0.24 -3.49 0.74 -1.26 -4.82 119.66 112.42 1pux s GLN 29 Ca 0.76 1.42 0.10 0.00 0.05 0.00 0.00 55.36 57.69 1pux s GLN 29 Cb -0.32 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.29 1pux s GLN 29 CO 0.35 -0.02 -0.18 0.95 -0.55 0.00 0.00 175.29 175.84 1pux s THR 30 N 0.91 2.18 -0.02 -0.34 -4.23 -1.26 -2.88 115.64 110.00 1pux s THR 30 Ca 0.51 -2.29 -0.21 0.00 -1.18 0.00 0.00 61.69 58.53 1pux s THR 30 Cb -0.21 -2.17 0.04 0.00 1.34 0.00 0.00 72.50 71.50 1pux s THR 30 CO 0.28 -0.44 0.45 0.12 -0.54 0.00 0.00 174.62 174.49 1pux s PHE 31 N -2.59 -0.36 -0.03 3.99 2.19 -1.22 -5.02 117.98 114.94 1pux s PHE 31 Ca 0.26 0.57 0.07 0.00 0.33 0.00 0.00 56.93 58.16 1pux s PHE 31 Cb -0.04 0.22 -0.02 0.00 -1.31 0.00 0.00 43.02 41.87 1pux s PHE 31 CO 0.11 -0.48 -0.24 -1.14 1.83 0.00 0.00 175.22 175.30 1pux s GLN 32 N -1.37 2.29 0.22 10.12 0.74 -1.26 0.28 119.66 130.69 1pux s GLN 32 Ca -0.12 -0.89 0.05 0.00 0.05 0.00 0.00 55.36 54.45 1pux s GLN 32 Cb -0.03 -2.13 -0.05 0.00 1.10 0.00 0.00 33.01 31.90 1pux s GLN 32 CO 0.06 0.52 -0.04 0.00 -0.55 0.00 0.00 175.29 175.28 1pux s ALA 33 N -0.51 1.83 -0.33 1.58 0.00 -0.93 -4.99 121.76 118.41 1pux s ALA 33 Ca 0.07 -1.72 0.10 0.00 0.00 0.00 0.00 51.96 50.41 1pux s ALA 33 Cb -0.11 0.30 0.46 0.00 0.00 0.00 0.00 23.12 23.77 1pux s ALA 33 CO 0.00 -0.16 1.13 0.00 0.00 0.00 0.00 175.76 176.73 1pux n ALA 34 N -0.39 4.45 0.00 0.00 0.00 -1.26 -2.07 120.51 121.24 1pux n ALA 34 Ca -0.06 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1pux n ALA 34 Cb 0.63 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.56 0.00 -0.08 0.00 3.02 -1.26 -5.00 115.26 111.38 1pux n ASN 35 Ca 0.33 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.67 1pux n ASN 35 Cb 0.84 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.89 1pux n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pux n GLY 36 N -0.20 -0.49 0.41 7.41 0.00 -1.26 -3.75 105.19 107.31 1pux n GLY 36 Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1pux n GLY 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pux h LEU 37 N -0.19 -1.05 -2.09 0.99 6.46 -1.96 1.85 115.31 119.33 1pux h LEU 37 Ca -0.52 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.42 1pux h LEU 37 Cb 1.86 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 42.12 1pux h LEU 37 CO -0.08 -0.55 0.27 1.56 -0.62 0.00 0.00 178.44 179.02 1pux h GLN 38 N -0.83 0.00 0.00 1.25 4.20 -1.95 0.42 115.11 118.20 1pux h GLN 38 Ca -0.04 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 1pux h GLN 38 Cb 0.73 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1pux h GLN 38 CO -0.04 0.00 -1.11 0.00 -0.67 0.00 0.00 178.83 177.01 1pux h ALA 39 N 1.75 0.61 -0.71 3.87 0.00 -1.20 -2.61 119.26 120.98 1pux h ALA 39 Ca 0.15 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1pux h ALA 39 Cb 0.68 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1pux h ALA 39 CO -0.00 1.04 0.35 -0.07 0.00 0.00 0.00 179.25 180.57 1pux h LEU 40 N 0.00 0.92 0.08 0.00 3.38 0.73 1.57 115.31 121.99 1pux h LEU 40 Ca -0.10 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1pux h LEU 40 Cb 1.65 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1pux h LEU 40 CO 0.08 0.78 -0.04 -0.78 0.09 0.00 0.00 178.44 178.57 1pux h ASP 41 N 0.98 -0.09 0.10 -0.43 1.82 -1.45 -3.15 116.42 114.21 1pux h ASP 41 Ca 0.24 -0.51 -0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1pux h ASP 41 Cb 0.10 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.13 1pux h ASP 41 CO -0.03 0.57 -0.02 0.40 -1.61 0.00 0.00 179.24 178.55 1pux h ILE 42 N -0.86 0.27 0.43 2.25 2.04 -1.39 0.80 117.51 121.05 1pux h ILE 42 Ca -0.01 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1pux h ILE 42 Cb 0.60 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1pux h ILE 42 CO 0.02 0.02 -0.41 0.58 0.00 0.00 0.00 178.15 178.36 1pux h VAL 43 N 0.00 0.18 0.04 1.67 2.07 0.23 0.57 116.25 121.01 1pux h VAL 43 Ca -0.00 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.28 1pux h VAL 43 Cb 0.07 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1pux h VAL 43 CO 0.00 0.00 -1.03 0.74 0.02 0.00 0.00 177.57 177.30 1pux h THR 44 N -0.85 1.42 -0.95 2.57 2.02 -1.48 1.45 112.91 117.09 1pux h THR 44 Ca -0.04 -2.60 0.07 0.00 0.77 0.00 0.00 66.41 64.61 1pux h THR 44 Cb 0.75 2.56 -0.07 0.00 -1.74 0.00 0.00 68.15 69.65 1pux h THR 44 CO -0.05 0.77 0.60 0.50 0.37 0.00 0.00 175.52 177.71 1pux h LYS 45 N 0.19 1.03 -0.01 6.66 3.64 -0.68 -1.87 116.57 125.53 1pux h LYS 45 Ca -0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1pux h LYS 45 Cb 1.69 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1pux h LYS 45 CO 0.18 0.68 -0.65 0.39 -2.27 0.00 0.00 179.45 177.78 1pux n GLU 46 N -4.57 1.37 -3.85 1.90 1.02 0.20 -4.99 120.64 111.72 1pux n GLU 46 Ca 0.15 -0.34 -0.18 0.00 -0.02 0.00 0.00 57.16 56.76 1pux n GLU 46 Cb 0.21 -1.33 0.01 0.00 -0.02 0.00 0.00 31.44 30.31 1pux n GLU 46 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1pux n ARG 47 N -0.89 -0.74 -2.55 3.49 1.85 0.49 -4.76 116.66 113.56 1pux n ARG 47 Ca 0.05 -0.30 -0.34 0.00 -1.00 0.00 0.00 57.85 56.26 1pux n ARG 47 Cb 0.32 -0.37 -0.04 0.00 -1.05 0.00 0.00 32.46 31.32 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 -5.92 3.88 0.00 2.89 0.04 -1.20 -4.75 135.00 129.95 1pux s PRO 48 Ca 0.18 1.39 0.26 0.00 0.04 0.00 0.00 61.00 62.87 1pux s PRO 48 Cb -0.10 -2.18 0.65 0.00 0.04 0.00 0.00 34.50 32.90 1pux s PRO 48 CO 0.37 -0.37 1.52 -0.25 0.04 0.00 0.00 177.00 178.31 1pux n ASP 49 N -0.79 2.23 -3.28 6.66 8.00 -0.98 -4.76 116.55 123.63 1pux n ASP 49 Ca 0.08 -1.74 0.03 0.00 0.71 0.00 0.00 54.79 53.87 1pux n ASP 49 Cb 0.52 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1pux n ASP 49 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1pux s LEU 50 N -1.95 -1.32 0.04 0.64 1.98 -1.22 -4.90 118.68 111.94 1pux s LEU 50 Ca 0.34 1.05 0.05 0.00 -2.89 0.00 0.00 54.13 52.68 1pux s LEU 50 Cb 0.20 2.19 -0.02 0.00 0.66 0.00 0.00 46.19 49.23 1pux s LEU 50 CO 0.32 -0.25 -0.14 0.54 -1.89 0.00 0.00 176.35 174.92 1pux s VAL 51 N 2.87 1.12 -0.11 1.68 0.11 -1.22 -1.65 120.40 123.20 1pux s VAL 51 Ca 0.14 -0.98 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 1pux s VAL 51 Cb -0.14 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 1pux s VAL 51 CO -0.20 0.02 -0.20 -1.48 -3.33 0.00 0.00 175.10 169.91 1pux s LEU 52 N -1.09 2.31 -0.03 2.54 2.34 -0.57 -1.78 118.68 122.39 1pux s LEU 52 Ca 0.02 -0.48 0.01 0.00 0.06 0.00 0.00 54.13 53.74 1pux s LEU 52 Cb -0.08 -1.48 0.02 0.00 -0.56 0.00 0.00 46.19 44.09 1pux s LEU 52 CO 0.01 0.17 -0.02 -0.22 -1.06 0.00 0.00 176.35 175.22 1pux s LEU 53 N 0.32 1.44 -0.16 1.48 0.20 -0.46 0.18 118.68 121.69 1pux s LEU 53 Ca -0.16 -0.06 -0.13 0.00 0.69 0.00 0.00 54.13 54.47 1pux s LEU 53 Cb -0.17 -0.27 -0.05 0.00 -0.43 0.00 0.00 46.19 45.27 1pux s LEU 53 CO 0.08 -0.05 0.28 -0.62 -0.29 0.00 0.00 176.35 175.75 1pux s ASP 54 N 0.69 6.43 0.01 3.68 -1.08 -1.18 -3.05 116.67 122.16 1pux s ASP 54 Ca -0.08 0.50 -0.03 0.00 -0.52 0.00 0.00 52.55 52.42 1pux s ASP 54 Cb -0.11 -2.17 -0.02 0.00 -1.46 0.00 0.00 42.92 39.16 1pux s ASP 54 CO -0.01 0.13 1.05 0.24 0.52 0.00 0.00 175.17 177.10 1pux h MET 55 N 6.53 -0.10 -6.05 4.34 2.86 -1.94 -3.41 114.93 117.15 1pux h MET 55 Ca -0.42 0.01 -0.74 0.00 -2.06 0.00 0.00 59.70 56.48 1pux h MET 55 Cb 1.17 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1pux h MET 55 CO 0.74 -0.07 1.12 1.17 1.06 0.00 0.00 176.91 180.94 1pux n LYS 56 N -2.52 0.77 -3.63 1.72 3.00 -1.26 -2.64 118.16 113.59 1pux n LYS 56 Ca -0.01 0.25 -0.13 0.00 -0.00 0.00 0.00 58.31 58.42 1pux n LYS 56 Cb 0.05 -2.02 -0.07 0.00 0.00 0.00 0.00 35.03 32.99 1pux n LYS 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1pux s ILE 57 N 5.11 -0.00 -0.03 3.15 1.10 -1.26 -4.94 121.20 124.33 1pux s ILE 57 Ca 1.07 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.91 1pux s ILE 57 Cb -1.15 -0.99 -0.04 0.00 0.15 0.00 0.00 42.46 40.44 1pux s ILE 57 CO 0.63 0.00 1.21 -2.16 -2.11 0.00 0.00 174.94 172.50 1pux s PRO 58 N 0.60 4.37 0.00 3.50 0.04 -1.26 -4.00 135.00 138.25 1pux s PRO 58 Ca -0.02 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1pux s PRO 58 Cb -0.05 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1pux s PRO 58 CO -0.03 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1pux n GLY 59 N 3.34 0.55 1.90 0.56 0.00 -1.26 -4.96 105.19 105.32 1pux n GLY 59 Ca 0.11 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.15 -1.58 -0.89 1.61 0.00 -1.26 -4.97 117.12 109.88 1pux n MET 60 Ca 0.00 1.52 -0.36 0.00 -0.00 0.00 0.00 57.70 58.86 1pux n MET 60 Cb 0.05 -2.50 0.08 0.00 0.00 0.00 0.00 33.22 30.86 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 0.54 -3.20 -0.02 6.12 5.68 -1.26 -4.82 116.55 119.59 1pux n ASP 61 Ca -0.12 0.01 0.14 0.00 -0.50 0.00 0.00 54.79 54.33 1pux n ASP 61 Cb 0.19 -0.72 0.68 0.00 -1.14 0.00 0.00 41.12 40.13 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 2.93 -1.26 0.41 6.12 0.00 -1.08 -3.67 105.19 108.64 1pux n GLY 62 Ca -0.01 -0.17 0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 0.11 0.57 0.00 -0.61 2.04 -1.87 0.33 117.51 118.09 1pux h ILE 63 Ca 0.00 -0.13 -0.18 0.00 1.00 0.00 0.00 64.86 65.55 1pux h ILE 63 Cb 0.35 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1pux h ILE 63 CO 0.00 0.07 -0.96 -0.33 0.00 0.00 0.00 178.15 176.93 1pux h GLU 64 N 0.39 0.01 -0.25 2.37 4.39 -1.91 -3.14 114.58 116.44 1pux h GLU 64 Ca 0.55 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.27 1pux h GLU 64 Cb 1.41 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.01 1pux h GLU 64 CO -0.25 1.01 -0.42 0.82 -1.16 0.00 0.00 179.01 179.01 1pux h ILE 65 N -0.98 0.00 -0.64 3.13 2.04 -1.48 1.03 117.51 120.61 1pux h ILE 65 Ca -0.26 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.74 1pux h ILE 65 Cb 1.25 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1pux h ILE 65 CO -0.15 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.37 1pux h LEU 66 N -0.34 0.25 0.50 1.44 -0.00 -0.58 0.38 115.31 116.95 1pux h LEU 66 Ca 0.05 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1pux h LEU 66 Cb 0.47 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1pux h LEU 66 CO -0.42 0.13 -0.24 0.11 -0.00 0.00 0.00 178.44 178.03 1pux h LYS 67 N 0.26 -0.64 -0.85 1.13 1.57 0.11 -2.02 116.57 116.13 1pux h LYS 67 Ca 0.31 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.28 1pux h LYS 67 Cb 0.84 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.23 1pux h LYS 67 CO -0.07 -0.43 0.55 0.00 -0.57 0.00 0.00 179.45 178.94 1pux h ARG 68 N -0.80 0.60 0.19 3.15 3.08 0.14 0.63 114.38 121.36 1pux h ARG 68 Ca -0.07 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1pux h ARG 68 Cb 0.51 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1pux h ARG 68 CO 0.11 0.39 -0.34 0.52 -1.07 0.00 0.00 179.97 179.58 1pux h MET 69 N 0.61 -0.59 -0.20 0.04 2.86 -0.15 1.59 114.93 119.09 1pux h MET 69 Ca 0.42 0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.98 1pux h MET 69 Cb 0.75 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1pux h MET 69 CO -0.18 -0.39 -0.38 1.57 1.06 0.00 0.00 176.91 178.59 1pux h LYS 70 N -0.61 0.62 -0.03 1.72 5.09 -0.59 -1.56 116.57 121.20 1pux h LYS 70 Ca 0.01 -0.39 0.01 0.00 0.09 0.00 0.00 60.65 60.37 1pux h LYS 70 Cb 0.61 0.05 -0.00 0.00 0.10 0.00 0.00 32.23 32.99 1pux h LYS 70 CO -0.16 1.00 0.03 0.28 -2.09 0.00 0.00 179.45 178.51 1pux h VAL 71 N 0.30 0.80 0.00 0.07 2.07 0.50 -1.79 116.25 118.20 1pux h VAL 71 Ca 0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1pux h VAL 71 Cb 0.97 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1pux h VAL 71 CO 0.08 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.88 1pux h ILE 72 N 0.00 1.57 -3.66 4.57 1.08 0.26 -3.48 117.51 117.85 1pux h ILE 72 Ca 0.02 -1.94 -0.07 0.00 -0.39 0.00 0.00 64.86 62.47 1pux h ILE 72 Cb 0.07 2.82 -0.13 0.00 -3.07 0.00 0.00 36.82 36.51 1pux h ILE 72 CO -0.00 0.53 -0.22 -1.81 -0.69 0.00 0.00 178.15 175.95 1pux s ASP 73 N -6.25 -0.04 -0.01 1.72 1.01 -0.61 -5.05 116.67 107.44 1pux s ASP 73 Ca -0.16 -0.63 0.09 0.00 0.71 0.00 0.00 52.55 52.56 1pux s ASP 73 Cb 0.00 0.44 -0.12 0.00 1.01 0.00 0.00 42.92 44.25 1pux s ASP 73 CO 0.73 -0.86 0.26 -1.84 0.21 0.00 0.00 175.17 173.67 1pux n GLU 74 N -0.19 1.72 0.20 8.23 0.28 -1.25 -3.86 120.64 125.75 1pux n GLU 74 Ca -0.12 -0.05 0.14 0.00 -0.16 0.00 0.00 57.16 56.97 1pux n GLU 74 Cb 0.63 -1.10 0.43 0.00 1.43 0.00 0.00 31.44 32.83 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 -3.24 -1.84 7.08 -1.95 -3.44 115.58 112.19 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 0.34 0.00 0.04 0.00 -2.08 0.00 0.00 38.32 36.62 1pux h ASN 75 CO 0.00 0.00 0.74 -0.51 -2.08 0.00 0.00 177.43 175.58 1pux s ILE 76 N -3.34 2.94 -0.24 6.14 2.07 -1.26 -5.00 121.20 122.51 1pux s ILE 76 Ca 0.06 0.74 0.01 0.00 -1.41 0.00 0.00 60.65 60.05 1pux s ILE 76 Cb 0.09 -3.48 0.04 0.00 0.13 0.00 0.00 42.46 39.24 1pux s ILE 76 CO 0.56 0.10 -0.11 -0.60 -1.91 0.00 0.00 174.94 172.98 1pux s ARG 77 N 0.17 2.52 0.01 3.50 3.52 -1.26 -4.98 118.95 122.44 1pux s ARG 77 Ca 0.61 -1.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 1pux s ARG 77 Cb -0.40 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 1pux s ARG 77 CO 0.38 -0.46 -0.02 0.54 -0.81 0.00 0.00 175.30 174.92 1pux s VAL 78 N 1.19 0.12 -0.01 7.11 0.11 -1.26 -3.42 120.40 124.24 1pux s VAL 78 Ca -0.04 -0.57 0.03 0.00 -2.93 0.00 0.00 61.98 58.48 1pux s VAL 78 Cb -0.18 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1pux s VAL 78 CO -0.06 -0.28 -0.10 -0.63 -3.33 0.00 0.00 175.10 170.70 1pux s ILE 79 N -0.87 3.44 0.06 7.04 1.01 -0.73 -3.55 121.20 127.60 1pux s ILE 79 Ca -0.09 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1pux s ILE 79 Cb -0.06 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1pux s ILE 79 CO -0.01 0.46 0.18 0.27 0.00 0.00 0.00 174.94 175.84 1pux s ILE 80 N -0.91 5.18 -0.04 2.92 -5.25 -1.19 -1.35 121.20 120.56 1pux s ILE 80 Ca 0.15 -0.48 -0.01 0.00 -0.99 0.00 0.00 60.65 59.32 1pux s ILE 80 Cb -0.11 -3.52 0.03 0.00 2.95 0.00 0.00 42.46 41.82 1pux s ILE 80 CO 0.05 0.14 0.07 -0.04 -1.79 0.00 0.00 174.94 173.36 1pux s MET 81 N -2.47 -0.04 -0.28 0.37 1.00 -1.17 -2.22 119.30 114.48 1pux s MET 81 Ca 0.33 0.33 -0.33 0.00 0.00 0.00 0.00 55.69 56.02 1pux s MET 81 Cb -0.13 -0.37 0.18 0.00 0.00 0.00 0.00 34.83 34.51 1pux s MET 81 CO 0.26 -0.26 1.36 -0.08 0.00 0.00 0.00 175.02 176.31 1pux s THR 82 N 1.70 0.00 0.87 2.05 -1.32 -0.98 -3.55 115.64 114.41 1pux s THR 82 Ca -0.01 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.34 1pux s THR 82 Cb -0.12 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.94 1pux s THR 82 CO -0.04 0.00 0.87 0.00 -2.21 0.00 0.00 174.62 173.24 1pux n ALA 83 N 0.28 -1.19 -1.00 11.08 0.00 -1.26 -2.91 120.51 125.51 1pux n ALA 83 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1pux n ALA 83 Cb 0.58 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.52 -0.04 0.00 0.00 4.11 -1.26 -4.51 117.16 111.94 1pux n TYR 84 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 1pux n TYR 84 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 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 3.85 1.70 2.13 -7.48 0.00 -1.26 -4.67 105.19 99.45 1pux n GLY 85 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.02 -0.41 1.61 0.28 -1.26 -4.60 120.64 118.28 1pux n GLU 86 Ca 0.00 -1.75 0.34 0.00 -0.16 0.00 0.00 57.16 55.59 1pux n GLU 86 Cb 0.00 -1.84 0.64 0.00 1.43 0.00 0.00 31.44 31.67 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 3.37 0.24 -0.60 -1.84 3.38 -1.91 0.20 115.31 118.14 1pux h LEU 87 Ca 0.31 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.44 1pux h LEU 87 Cb 0.90 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 1pux h LEU 87 CO 0.72 -0.06 -0.49 0.44 0.09 0.00 0.00 178.44 179.14 1pux h ASP 88 N 0.16 -1.70 0.97 -0.43 5.19 -1.99 1.57 116.42 120.19 1pux h ASP 88 Ca 0.72 0.26 -0.05 0.00 -0.62 0.00 0.00 57.03 57.34 1pux h ASP 88 Cb 2.31 0.75 0.01 0.00 0.18 0.00 0.00 39.33 42.58 1pux h ASP 88 CO -0.28 -0.34 -0.47 -0.03 -3.12 0.00 0.00 179.24 175.00 1pux h MET 89 N -0.24 -1.26 -0.79 3.56 4.05 -1.01 -2.24 114.93 117.01 1pux h MET 89 Ca 0.15 0.09 0.18 0.00 -0.28 0.00 0.00 59.70 59.84 1pux h MET 89 Cb 0.55 0.29 -0.14 0.00 -0.80 0.00 0.00 31.60 31.50 1pux h MET 89 CO -0.71 -0.84 -0.04 0.82 0.23 0.00 0.00 176.91 176.38 1pux h ILE 90 N -1.32 0.27 -0.17 1.77 5.03 -1.19 0.12 117.51 122.02 1pux h ILE 90 Ca -0.13 -0.02 0.04 0.00 -0.12 0.00 0.00 64.86 64.63 1pux h ILE 90 Cb 1.00 0.20 -0.07 0.00 -3.03 0.00 0.00 36.82 34.92 1pux h ILE 90 CO 0.22 0.01 -0.44 1.56 -0.68 0.00 0.00 178.15 178.82 1pux h GLN 91 N 0.07 -0.47 -0.99 2.37 1.08 0.25 0.71 115.11 118.12 1pux h GLN 91 Ca 0.43 0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.81 1pux h GLN 91 Cb 0.75 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 28.20 1pux h GLN 91 CO -0.73 -0.31 0.62 0.93 -0.95 0.00 0.00 178.83 178.39 1pux h GLU 92 N -0.48 0.86 -0.65 1.46 5.08 -0.23 0.30 114.58 120.91 1pux h GLU 92 Ca 0.08 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1pux h GLU 92 Cb 0.63 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1pux h GLU 92 CO -0.43 0.57 0.43 0.66 -1.00 0.00 0.00 179.01 179.24 1pux h SER 93 N 0.89 0.49 0.02 1.42 4.64 0.95 1.16 113.55 123.11 1pux h SER 93 Ca 0.52 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1pux h SER 93 Cb 0.65 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1pux h SER 93 CO -0.29 0.30 -0.01 0.50 -0.87 0.00 0.00 176.83 176.46 1pux h LYS 94 N 0.55 -0.02 0.00 4.77 3.64 0.71 -1.96 116.57 124.26 1pux h LYS 94 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1pux h LYS 94 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1pux h LYS 94 CO -0.09 0.60 0.00 1.05 -2.27 0.00 0.00 179.45 178.74 1pux h GLU 95 N -0.66 0.00 0.00 1.90 -0.00 -0.44 -1.12 114.58 114.25 1pux h GLU 95 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1pux h GLU 95 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.38 1pux h GLU 95 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 179.01 178.94 1pux h LEU 96 N 0.00 0.00 0.00 3.06 4.07 0.15 -3.46 115.31 119.13 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 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 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 0.25 1.33 3.74 0.83 0.00 -0.43 -4.69 105.19 106.23 1pux n GLY 97 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 2.06 -0.12 4.61 0.00 -0.75 -4.92 121.76 120.63 1pux s ALA 98 Ca 0.00 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.15 1pux s ALA 98 Cb 0.00 -3.35 -0.25 0.00 0.00 0.00 0.00 23.12 19.52 1pux s ALA 98 CO 0.00 -1.98 0.83 -0.07 0.00 0.00 0.00 175.76 174.55 1pux h LEU 99 N -1.05 -0.00 -7.84 0.00 -0.00 -1.87 -3.45 115.31 101.09 1pux h LEU 99 Ca -0.44 -0.92 0.10 0.00 -0.00 0.00 0.00 57.88 56.62 1pux h LEU 99 Cb 1.25 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.85 1pux h LEU 99 CO 0.49 0.92 0.31 0.28 -0.00 0.00 0.00 178.44 180.44 1pux s THR 100 N -2.50 0.00 -0.07 0.22 -1.32 -1.26 -5.10 115.64 105.61 1pux s THR 100 Ca -0.18 -0.84 -0.00 0.00 -1.21 0.00 0.00 61.69 59.45 1pux s THR 100 Cb -0.02 -1.95 0.02 0.00 -1.51 0.00 0.00 72.50 69.04 1pux s THR 100 CO 0.68 0.00 -0.03 -1.38 -2.21 0.00 0.00 174.62 171.68 1pux s HIS 101 N -3.70 0.80 0.20 9.09 -3.43 -1.26 -3.17 115.29 113.82 1pux s HIS 101 Ca 0.11 -0.25 0.06 0.00 -0.80 0.00 0.00 55.06 54.18 1pux s HIS 101 Cb -0.04 -0.80 -0.04 0.00 -1.43 0.00 0.00 32.58 30.27 1pux s HIS 101 CO 0.05 -0.30 0.15 -0.06 -2.00 0.00 0.00 174.74 172.58 1pux s PHE 102 N 1.52 3.12 0.04 0.38 0.08 -0.94 -5.03 117.98 117.14 1pux s PHE 102 Ca -0.01 -0.06 -0.01 0.00 0.12 0.00 0.00 56.93 56.96 1pux s PHE 102 Cb -0.13 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 1pux s PHE 102 CO -0.03 0.52 0.22 0.00 -0.10 0.00 0.00 175.22 175.82 1pux s ALA 103 N -1.89 3.97 0.02 5.36 0.00 -1.26 -2.31 121.76 125.65 1pux s ALA 103 Ca 0.31 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1pux s ALA 103 Cb -0.09 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 1pux s ALA 103 CO 0.24 0.79 0.24 1.63 0.00 0.00 0.00 175.76 178.65 1pux n LYS 104 N 0.52 -0.07 -2.31 0.00 5.02 -1.15 -2.45 118.16 117.73 1pux n LYS 104 Ca -0.07 0.23 -0.36 0.00 -2.02 0.00 0.00 58.31 56.10 1pux n LYS 104 Cb 0.52 -0.35 -0.04 0.00 -0.02 0.00 0.00 35.03 35.14 1pux n LYS 104 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pux s PRO 105 N -4.96 3.04 0.10 1.97 0.04 -1.26 -4.94 135.00 128.98 1pux s PRO 105 Ca -0.02 -0.43 0.06 0.00 0.04 0.00 0.00 61.00 60.65 1pux s PRO 105 Cb 0.02 -4.91 -0.03 0.00 0.04 0.00 0.00 34.50 29.61 1pux s PRO 105 CO 0.09 -2.66 -0.14 -0.59 0.04 0.00 0.00 177.00 173.74 1pux s PHE 106 N 7.40 1.33 -0.05 0.56 -0.12 -1.02 -5.13 117.98 120.94 1pux s PHE 106 Ca 0.55 -0.51 0.04 0.00 -0.05 0.00 0.00 56.93 56.96 1pux s PHE 106 Cb -0.05 -0.72 -0.03 0.00 -0.63 0.00 0.00 43.02 41.59 1pux s PHE 106 CO 0.02 0.10 -0.14 0.34 -0.05 0.00 0.00 175.22 175.49 1pux s ASP 107 N -2.10 4.03 0.18 1.98 -1.08 -1.26 -5.02 116.67 113.40 1pux s ASP 107 Ca 0.04 -0.20 -0.13 0.00 -0.52 0.00 0.00 52.55 51.74 1pux s ASP 107 Cb -0.07 -0.86 0.15 0.00 -1.46 0.00 0.00 42.92 40.67 1pux s ASP 107 CO 0.03 0.34 1.77 -0.29 0.52 0.00 0.00 175.17 177.54 1pux h ILE 108 N 4.36 0.91 -1.05 4.11 -0.00 -2.01 0.25 117.51 124.08 1pux h ILE 108 Ca -0.46 -0.15 0.28 0.00 -0.00 0.00 0.00 64.86 64.53 1pux h ILE 108 Cb 1.15 0.44 -0.11 0.00 -0.00 0.00 0.00 36.82 38.30 1pux h ILE 108 CO 0.50 0.08 0.65 0.44 -0.00 0.00 0.00 178.15 179.82 1pux h ASP 109 N 0.43 0.51 -0.25 2.19 3.32 -1.98 1.30 116.42 121.95 1pux h ASP 109 Ca 0.23 0.12 -0.17 0.00 0.02 0.00 0.00 57.03 57.22 1pux h ASP 109 Cb 0.18 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1pux h ASP 109 CO -0.19 0.04 -0.52 -0.33 -1.72 0.00 0.00 179.24 176.53 1pux h GLU 110 N 0.42 0.79 -0.26 3.56 5.08 -1.40 -2.95 114.58 119.82 1pux h GLU 110 Ca 0.65 -0.52 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1pux h GLU 110 Cb 1.54 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1pux h GLU 110 CO -0.40 1.14 -0.28 0.82 -1.00 0.00 0.00 179.01 179.29 1pux h ILE 111 N 0.53 1.27 0.00 3.13 2.04 0.11 -1.85 117.51 122.75 1pux h ILE 111 Ca 0.01 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1pux h ILE 111 Cb 1.13 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1pux h ILE 111 CO 0.11 0.43 0.00 0.03 0.00 0.00 0.00 178.15 178.72 1pux h ARG 112 N 0.45 0.00 0.10 2.37 3.08 0.14 0.40 114.38 120.92 1pux h ARG 112 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1pux h ARG 112 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1pux h ARG 112 CO 0.06 0.00 -0.05 0.22 -1.07 0.00 0.00 179.97 179.13 1pux h ASP 113 N 0.00 -0.12 -0.88 7.04 1.82 -1.17 0.25 116.42 123.36 1pux h ASP 113 Ca 0.00 -0.36 -0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1pux h ASP 113 Cb 0.19 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.19 1pux h ASP 113 CO 0.00 0.50 0.54 0.00 -1.61 0.00 0.00 179.24 178.67 1pux h ALA 114 N -0.51 1.29 -0.23 -0.78 0.00 -1.38 0.94 119.26 118.59 1pux h ALA 114 Ca -0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1pux h ALA 114 Cb 0.47 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pux h ALA 114 CO 0.02 0.62 -0.53 0.28 0.00 0.00 0.00 179.25 179.64 1pux h VAL 115 N 1.21 1.30 0.00 0.00 2.07 -1.01 0.45 116.25 120.28 1pux h VAL 115 Ca 0.32 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1pux h VAL 115 Cb -0.07 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1pux h VAL 115 CO -0.06 0.55 0.00 1.17 0.02 0.00 0.00 177.57 179.25 1pux n LYS 116 N -3.98 0.25 -0.04 1.57 0.00 0.87 0.23 118.16 117.07 1pux n LYS 116 Ca -0.03 0.28 -0.14 0.00 0.00 0.00 0.00 58.31 58.42 1pux n LYS 116 Cb 0.60 -1.84 -0.14 0.00 0.00 0.00 0.00 35.03 33.66 1pux n LYS 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1pux n LYS 117 N -2.28 0.68 -0.09 1.64 4.81 0.32 -4.52 118.16 118.72 1pux n LYS 117 Ca 0.05 0.21 -0.23 0.00 -0.87 0.00 0.00 58.31 57.47 1pux n LYS 117 Cb 0.38 -1.68 -0.12 0.00 0.02 0.00 0.00 35.03 33.63 1pux n LYS 117 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1pux n TYR 118 N -3.16 0.62 -4.22 5.64 4.19 0.15 -4.98 117.16 115.41 1pux n TYR 118 Ca -0.28 0.21 -0.24 0.00 3.31 0.00 0.00 57.90 60.90 1pux n TYR 118 Cb 1.06 -1.07 -0.07 0.00 0.49 0.00 0.00 39.34 39.75 1pux n TYR 118 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1pux s LEU 119 N -7.36 3.39 -0.86 2.98 2.01 0.64 -5.00 118.68 114.47 1pux s LEU 119 Ca -0.31 -0.46 -0.07 0.00 0.01 0.00 0.00 54.13 53.30 1pux s LEU 119 Cb 0.09 -1.96 -0.11 0.00 0.01 0.00 0.00 46.19 44.23 1pux s LEU 119 CO 0.60 0.03 2.59 -0.81 1.01 0.00 0.00 176.35 179.77 1pux n PRO 120 N -0.67 2.40 -1.57 1.29 -0.04 -1.26 -3.54 135.00 131.61 1pux n PRO 120 Ca -0.08 -1.47 -0.30 0.00 -0.04 0.00 0.00 63.50 61.61 1pux n PRO 120 Cb 0.57 -2.39 0.10 0.00 -0.04 0.00 0.00 33.50 31.75 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 0.09 2.46 -0.40 1.53 2.96 -1.25 -4.85 118.68 119.21 1pux s LEU 121 Ca 0.52 1.20 -0.41 0.00 -0.22 0.00 0.00 54.13 55.23 1pux s LEU 121 Cb 0.17 -3.75 -0.16 0.00 0.50 0.00 0.00 46.19 42.95 1pux s LEU 121 CO -0.03 -2.09 2.01 1.17 -1.32 0.00 0.00 176.35 176.09 1pux n LYS 122 N -3.50 0.61 -1.95 1.98 4.81 -1.26 -4.78 118.16 114.06 1pux n LYS 122 Ca 0.07 0.19 -0.43 0.00 -0.87 0.00 0.00 58.31 57.27 1pux n LYS 122 Cb 0.57 -1.95 -0.03 0.00 0.02 0.00 0.00 35.03 33.65 1pux n LYS 122 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1pux s SER 123 N 5.59 6.02 0.00 3.14 0.01 -1.26 -4.92 113.70 122.27 1pux s SER 123 Ca 1.10 1.59 0.25 0.00 1.31 0.00 0.00 55.95 60.20 1pux s SER 123 Cb -1.20 -2.53 1.46 0.00 0.21 0.00 0.00 66.02 63.97 1pux s SER 123 CO 0.62 -1.56 1.82 -3.20 0.41 0.00 0.00 173.24 171.34