#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pux s MET 2 N 0.00 0.92 0.00 0.03 0.00 -1.26 -5.08 119.30 113.91 1pux s MET 2 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 55.69 55.91 1pux s MET 2 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 34.83 33.01 1pux s MET 2 CO 0.00 -2.33 0.00 -1.71 0.00 0.00 0.00 175.02 170.98 1pux n ASN 3 N -3.85 0.00 -1.34 1.11 2.85 -1.26 -4.89 115.26 107.88 1pux n ASN 3 Ca 0.08 -0.75 0.00 0.00 -0.11 0.00 0.00 54.58 53.79 1pux n ASN 3 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 1pux n ASN 3 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1pux n GLU 4 N -0.75 -3.80 -3.72 1.20 2.13 -1.26 -4.42 120.64 110.02 1pux n GLU 4 Ca 0.00 2.85 -0.13 0.00 0.66 0.00 0.00 57.16 60.54 1pux n GLU 4 Cb 0.00 -3.27 -0.09 0.00 0.27 0.00 0.00 31.44 28.35 1pux n GLU 4 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1pux s LYS 5 N -4.31 0.56 -0.01 5.31 1.02 -1.26 -4.12 119.74 116.92 1pux s LYS 5 Ca 0.00 0.43 -0.13 0.00 0.02 0.00 0.00 55.97 56.29 1pux s LYS 5 Cb 0.00 0.26 0.02 0.00 -0.52 0.00 0.00 37.83 37.59 1pux s LYS 5 CO 0.00 -0.09 0.28 0.42 -0.92 0.00 0.00 175.35 175.03 1pux s ILE 6 N -0.13 0.06 0.03 2.17 1.01 -1.12 0.19 121.20 123.42 1pux s ILE 6 Ca -0.03 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1pux s ILE 6 Cb -0.03 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 1pux s ILE 6 CO 0.02 -0.28 -0.12 -0.22 0.00 0.00 0.00 174.94 174.34 1pux s LEU 7 N -1.34 2.17 0.05 2.97 2.96 -0.46 -3.42 118.68 121.60 1pux s LEU 7 Ca -0.14 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 1pux s LEU 7 Cb -0.06 -0.47 -0.04 0.00 0.50 0.00 0.00 46.19 46.12 1pux s LEU 7 CO 0.04 -0.01 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.42 1pux s ILE 8 N -0.86 4.02 -0.17 6.68 1.01 0.47 -1.44 121.20 130.91 1pux s ILE 8 Ca -0.01 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 1pux s ILE 8 Cb -0.08 -2.85 0.07 0.00 0.01 0.00 0.00 42.46 39.61 1pux s ILE 8 CO 0.01 0.25 0.38 -0.69 0.00 0.00 0.00 174.94 174.89 1pux s VAL 9 N -1.19 -0.27 0.03 2.92 1.01 -0.25 -0.38 120.40 122.27 1pux s VAL 9 Ca 0.22 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1pux s VAL 9 Cb -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1pux s VAL 9 CO 0.14 0.06 0.00 -0.67 0.00 0.00 0.00 175.10 174.63 1pux n ASP 10 N 4.74 -2.06 -0.35 3.32 2.03 -1.10 -3.67 116.55 119.45 1pux n ASP 10 Ca -0.17 0.14 -0.05 0.00 0.52 0.00 0.00 54.79 55.23 1pux n ASP 10 Cb 0.53 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1pux n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1pux n ASP 11 N -3.91 -5.80 -4.62 1.67 2.03 -1.26 -4.72 116.55 99.94 1pux n ASP 11 Ca 0.00 0.11 -0.43 0.00 0.52 0.00 0.00 54.79 54.99 1pux n ASP 11 Cb 0.06 -3.71 -0.02 0.00 -0.72 0.00 0.00 41.12 36.73 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 -2.34 3.76 0.00 -0.67 -2.07 -1.26 -4.65 119.66 112.43 1pux s GLN 12 Ca 0.00 1.12 0.07 0.00 -1.82 0.00 0.00 55.36 54.73 1pux s GLN 12 Cb 0.00 -3.95 0.12 0.00 -1.09 0.00 0.00 33.01 28.09 1pux s GLN 12 CO 0.00 -1.32 0.96 0.98 -1.32 0.00 0.00 175.29 174.59 1pux n TYR 13 N 8.18 0.00 0.00 9.60 4.19 -1.26 -4.95 117.16 132.92 1pux n TYR 13 Ca 0.16 -0.36 0.00 0.00 3.31 0.00 0.00 57.90 61.01 1pux n TYR 13 Cb 0.47 0.21 0.00 0.00 0.49 0.00 0.00 39.34 40.52 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 0.14 0.46 0.13 2.98 0.00 -1.26 -4.93 105.19 102.70 1pux n GLY 14 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 0.70 -0.98 -0.61 2.04 -1.92 -3.29 117.51 113.45 1pux h ILE 15 Ca 0.00 -2.43 0.21 0.00 1.00 0.00 0.00 64.86 63.64 1pux h ILE 15 Cb 0.00 2.52 -0.09 0.00 -0.74 0.00 0.00 36.82 38.51 1pux h ILE 15 CO 0.00 0.83 0.62 0.08 0.00 0.00 0.00 178.15 179.68 1pux h ARG 16 N 0.06 0.54 -0.13 2.37 0.11 -1.92 0.11 114.38 115.53 1pux h ARG 16 Ca -0.39 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 59.60 1pux h ARG 16 Cb 2.04 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 32.99 1pux h ARG 16 CO 0.10 0.36 -0.15 0.82 0.10 0.00 0.00 179.97 181.20 1pux h ILE 17 N 0.56 1.35 -0.77 0.08 2.04 -1.98 0.23 117.51 119.03 1pux h ILE 17 Ca 0.54 -1.33 0.11 0.00 1.00 0.00 0.00 64.86 65.19 1pux h ILE 17 Cb 1.13 1.92 -0.13 0.00 -0.74 0.00 0.00 36.82 39.00 1pux h ILE 17 CO -0.29 0.39 -0.43 0.25 0.00 0.00 0.00 178.15 178.06 1pux h LEU 18 N -0.05 -1.54 -0.97 1.44 5.85 -0.87 1.60 115.31 120.77 1pux h LEU 18 Ca 0.02 0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 1pux h LEU 18 Cb 0.69 0.73 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 1pux h LEU 18 CO 0.04 -0.30 -0.28 0.17 -0.34 0.00 0.00 178.44 177.72 1pux h LEU 19 N -0.12 0.00 0.80 2.25 8.10 -1.42 -2.96 115.31 121.96 1pux h LEU 19 Ca 0.24 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.19 1pux h LEU 19 Cb 0.55 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.78 1pux h LEU 19 CO -0.82 0.28 -0.39 -1.13 -4.11 0.00 0.00 178.44 172.28 1pux h ASN 20 N 0.00 -0.91 -0.17 0.17 -1.24 0.40 -0.52 115.58 113.30 1pux h ASN 20 Ca -0.00 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.08 1pux h ASN 20 Cb 0.83 0.24 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 1pux h ASN 20 CO 0.04 -0.55 0.29 -0.08 -1.29 0.00 0.00 177.43 175.84 1pux h GLU 21 N -1.28 0.00 0.31 6.67 4.81 0.99 1.33 114.58 127.42 1pux h GLU 21 Ca -0.11 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1pux h GLU 21 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1pux h GLU 21 CO 0.18 0.00 -0.15 0.28 -0.73 0.00 0.00 179.01 178.59 1pux h VAL 22 N 0.00 0.23 -0.35 0.32 2.07 -1.28 -0.49 116.25 116.75 1pux h VAL 22 Ca 0.08 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 66.70 1pux h VAL 22 Cb 0.67 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1pux h VAL 22 CO -0.00 0.06 -0.31 -0.26 0.02 0.00 0.00 177.57 177.08 1pux h PHE 23 N -1.06 0.90 -0.42 1.57 0.04 -0.01 -2.83 116.94 115.13 1pux h PHE 23 Ca -0.04 -0.23 -0.07 0.00 2.80 0.00 0.00 57.97 60.42 1pux h PHE 23 Cb 0.42 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1pux h PHE 23 CO 0.02 0.98 -0.03 -0.97 -0.60 0.00 0.00 178.31 177.72 1pux h ASN 24 N 0.65 0.65 -0.12 2.17 -1.24 0.16 -1.33 115.58 116.52 1pux h ASN 24 Ca 0.07 -0.15 0.04 0.00 0.71 0.00 0.00 56.30 56.96 1pux h ASN 24 Cb 0.84 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.71 1pux h ASN 24 CO 0.07 0.74 0.42 0.11 -1.29 0.00 0.00 177.43 177.49 1pux h LYS 25 N 0.64 0.00 0.00 6.67 1.57 -0.81 1.36 116.57 126.00 1pux h LYS 25 Ca 0.13 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1pux h LYS 25 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1pux h LYS 25 CO 0.02 0.00 -1.67 0.39 -0.57 0.00 0.00 179.45 177.62 1pux n GLU 26 N -3.08 0.64 0.00 3.15 -0.58 -0.53 -4.96 120.64 115.27 1pux n GLU 26 Ca 0.01 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1pux n GLU 26 Cb 0.50 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1pux n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pux n GLY 27 N 1.31 0.81 3.77 0.62 0.00 0.47 -4.85 105.19 107.31 1pux n GLY 27 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1pux n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pux s TYR 28 N -2.00 2.84 0.15 1.61 2.02 -1.01 -4.63 117.35 116.33 1pux s TYR 28 Ca 0.00 1.36 -0.30 0.00 -0.37 0.00 0.00 57.07 57.76 1pux s TYR 28 Cb 0.00 -3.76 -0.07 0.00 -0.40 0.00 0.00 41.96 37.73 1pux s TYR 28 CO 0.00 -2.22 1.17 -1.14 -1.57 0.00 0.00 175.55 171.78 1pux s GLN 29 N -2.06 4.50 0.06 -0.62 0.74 -1.26 -4.34 119.66 116.69 1pux s GLN 29 Ca 0.53 1.80 0.04 0.00 0.05 0.00 0.00 55.36 57.78 1pux s GLN 29 Cb -0.41 -3.28 -0.03 0.00 1.10 0.00 0.00 33.01 30.39 1pux s GLN 29 CO 0.54 -0.09 -0.12 0.95 -0.55 0.00 0.00 175.29 176.01 1pux s THR 30 N 0.22 0.96 0.12 -0.34 -4.23 -1.25 -2.80 115.64 108.32 1pux s THR 30 Ca 0.54 -1.25 -0.05 0.00 -1.18 0.00 0.00 61.69 59.74 1pux s THR 30 Cb -0.31 -0.95 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 1pux s THR 30 CO 0.34 -0.28 0.13 0.12 -0.54 0.00 0.00 174.62 174.40 1pux s PHE 31 N -1.33 0.51 -0.01 3.99 5.36 -1.22 -5.01 117.98 120.28 1pux s PHE 31 Ca -0.04 -0.93 0.06 0.00 -0.96 0.00 0.00 56.93 55.06 1pux s PHE 31 Cb -0.10 -0.25 -0.02 0.00 -0.34 0.00 0.00 43.02 42.31 1pux s PHE 31 CO 0.02 -0.56 -0.19 -1.14 -1.46 0.00 0.00 175.22 171.89 1pux s GLN 32 N -3.96 1.52 0.30 10.12 0.74 -1.25 0.18 119.66 127.31 1pux s GLN 32 Ca 0.15 -0.72 0.06 0.00 0.05 0.00 0.00 55.36 54.90 1pux s GLN 32 Cb 0.06 -1.49 -0.06 0.00 1.10 0.00 0.00 33.01 32.62 1pux s GLN 32 CO -0.04 0.41 -0.02 0.00 -0.55 0.00 0.00 175.29 175.09 1pux s ALA 33 N -0.50 2.39 -0.31 1.58 0.00 0.49 -4.95 121.76 120.45 1pux s ALA 33 Ca 0.07 -1.97 0.10 0.00 0.00 0.00 0.00 51.96 50.15 1pux s ALA 33 Cb -0.08 0.34 0.46 0.00 0.00 0.00 0.00 23.12 23.84 1pux s ALA 33 CO -0.00 -0.15 1.15 0.00 0.00 0.00 0.00 175.76 176.76 1pux n ALA 34 N -0.64 4.57 0.00 0.00 0.00 -1.26 -2.72 120.51 120.46 1pux n ALA 34 Ca -0.04 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.71 1pux n ALA 34 Cb 0.65 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.62 0.00 0.01 0.00 4.13 -1.26 -4.95 115.26 112.56 1pux n ASN 35 Ca 0.36 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.40 1pux n ASN 35 Cb 0.88 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.98 1pux n ASN 35 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1pux h GLY 36 N 0.00 0.31 0.50 7.41 0.00 -1.95 -3.21 103.07 106.13 1pux h GLY 36 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.56 1pux h GLY 36 CO 0.00 0.70 -0.21 -2.00 0.00 0.00 0.00 176.54 175.03 1pux h LEU 37 N -0.03 -0.62 -2.20 3.11 6.46 -1.96 1.66 115.31 121.72 1pux h LEU 37 Ca -0.39 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.44 1pux h LEU 37 Cb 1.98 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 42.16 1pux h LEU 37 CO 0.08 -0.28 -0.05 1.56 -0.62 0.00 0.00 178.44 179.13 1pux h GLN 38 N -0.33 0.00 0.00 1.25 4.20 -1.93 0.14 115.11 118.43 1pux h GLN 38 Ca 0.06 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 1pux h GLN 38 Cb 0.41 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1pux h GLN 38 CO -0.20 0.05 -0.97 0.00 -0.67 0.00 0.00 178.83 177.04 1pux h ALA 39 N 1.95 0.63 -0.77 3.87 0.00 -0.86 -2.68 119.26 121.40 1pux h ALA 39 Ca -0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1pux h ALA 39 Cb 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1pux h ALA 39 CO 0.01 0.84 0.37 -0.07 0.00 0.00 0.00 179.25 180.40 1pux h LEU 40 N 0.00 1.01 0.11 0.00 3.38 0.44 1.32 115.31 121.58 1pux h LEU 40 Ca -0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1pux h LEU 40 Cb 1.53 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1pux h LEU 40 CO 0.06 0.87 -0.05 -0.78 0.09 0.00 0.00 178.44 178.63 1pux h ASP 41 N 1.09 -0.13 -0.05 -0.43 1.82 -1.56 -3.19 116.42 113.98 1pux h ASP 41 Ca 0.27 -0.36 0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1pux h ASP 41 Cb 0.12 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.16 1pux h ASP 41 CO -0.03 0.49 0.07 0.40 -1.61 0.00 0.00 179.24 178.56 1pux h ILE 42 N -0.95 0.34 0.06 2.25 2.04 -1.43 0.33 117.51 120.14 1pux h ILE 42 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1pux h ILE 42 Cb 0.48 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1pux h ILE 42 CO 0.03 0.00 -0.39 0.58 0.00 0.00 0.00 178.15 178.36 1pux h VAL 43 N 0.00 0.19 0.12 1.67 2.07 0.18 1.18 116.25 121.66 1pux h VAL 43 Ca 0.02 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.27 1pux h VAL 43 Cb 0.17 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1pux h VAL 43 CO -0.00 0.00 -1.23 0.74 0.02 0.00 0.00 177.57 177.10 1pux h THR 44 N -0.59 1.50 -0.99 2.57 2.02 -1.47 0.98 112.91 116.93 1pux h THR 44 Ca 0.04 -3.04 0.04 0.00 0.77 0.00 0.00 66.41 64.22 1pux h THR 44 Cb 0.64 2.92 -0.06 0.00 -1.74 0.00 0.00 68.15 69.91 1pux h THR 44 CO -0.27 0.89 0.65 0.50 0.37 0.00 0.00 175.52 177.66 1pux h LYS 45 N 0.08 1.19 -0.00 6.66 3.64 -0.62 -2.10 116.57 125.42 1pux h LYS 45 Ca -0.13 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1pux h LYS 45 Cb 1.95 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 1pux h LYS 45 CO 0.20 0.79 -0.71 0.39 -2.27 0.00 0.00 179.45 177.85 1pux n GLU 46 N -4.47 1.18 -3.79 1.90 -0.58 0.40 -4.99 120.64 110.30 1pux n GLU 46 Ca 0.14 -0.27 -0.19 0.00 -0.42 0.00 0.00 57.16 56.41 1pux n GLU 46 Cb 0.12 -1.36 0.01 0.00 -0.57 0.00 0.00 31.44 29.64 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 -1.01 -0.69 -1.73 3.49 1.85 0.34 -4.83 116.66 114.07 1pux n ARG 47 Ca 0.05 -0.21 -0.32 0.00 -1.00 0.00 0.00 57.85 56.37 1pux n ARG 47 Cb 0.32 -0.55 0.04 0.00 -1.05 0.00 0.00 32.46 31.21 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 -5.74 3.09 0.02 2.89 0.04 -1.20 -4.83 135.00 129.27 1pux s PRO 48 Ca 0.19 1.02 0.25 0.00 0.04 0.00 0.00 61.00 62.50 1pux s PRO 48 Cb -0.11 -2.01 0.49 0.00 0.04 0.00 0.00 34.50 32.92 1pux s PRO 48 CO 0.41 -0.98 1.41 -0.25 0.04 0.00 0.00 177.00 177.63 1pux n ASP 49 N -2.77 0.52 -3.64 6.66 9.92 0.51 -4.86 116.55 122.89 1pux n ASP 49 Ca 0.08 -0.15 -0.05 0.00 -0.53 0.00 0.00 54.79 54.14 1pux n ASP 49 Cb 0.53 0.22 -0.07 0.00 -0.64 0.00 0.00 41.12 41.17 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 -3.24 -0.55 -0.03 0.64 2.96 -1.05 -4.82 118.68 112.59 1pux s LEU 50 Ca 0.10 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1pux s LEU 50 Cb 0.17 1.86 0.01 0.00 0.50 0.00 0.00 46.19 48.72 1pux s LEU 50 CO 0.70 -0.15 -0.07 0.54 -1.32 0.00 0.00 176.35 176.05 1pux s VAL 51 N 1.10 0.66 -0.11 1.68 0.11 -1.26 -1.36 120.40 121.23 1pux s VAL 51 Ca -0.06 -0.27 -0.15 0.00 -2.93 0.00 0.00 61.98 58.57 1pux s VAL 51 Cb -0.04 -0.62 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1pux s VAL 51 CO -0.13 0.23 0.38 -1.48 -3.33 0.00 0.00 175.10 170.76 1pux s LEU 52 N 0.42 4.31 -0.01 2.54 2.34 -0.52 -2.97 118.68 124.79 1pux s LEU 52 Ca -0.06 0.71 -0.00 0.00 0.06 0.00 0.00 54.13 54.84 1pux s LEU 52 Cb -0.10 -2.52 0.02 0.00 -0.56 0.00 0.00 46.19 43.03 1pux s LEU 52 CO 0.00 0.13 0.02 -0.22 -1.06 0.00 0.00 176.35 175.22 1pux s LEU 53 N 0.12 1.42 -0.18 1.48 0.20 -1.18 -1.09 118.68 119.45 1pux s LEU 53 Ca 0.21 0.03 -0.13 0.00 0.69 0.00 0.00 54.13 54.93 1pux s LEU 53 Cb -0.14 -0.04 -0.05 0.00 -0.43 0.00 0.00 46.19 45.53 1pux s LEU 53 CO 0.08 -0.08 0.28 -0.62 -0.29 0.00 0.00 176.35 175.72 1pux s ASP 54 N 0.67 6.39 0.01 3.68 2.15 -1.24 -3.30 116.67 125.04 1pux s ASP 54 Ca -0.06 0.45 -0.06 0.00 0.43 0.00 0.00 52.55 53.32 1pux s ASP 54 Cb -0.08 -2.17 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 1pux s ASP 54 CO -0.02 0.08 1.09 0.24 -0.17 0.00 0.00 175.17 176.39 1pux h MET 55 N 6.84 -0.15 -5.84 4.34 2.86 -1.95 -3.39 114.93 117.64 1pux h MET 55 Ca -0.40 0.01 -0.57 0.00 -2.06 0.00 0.00 59.70 56.68 1pux h MET 55 Cb 1.16 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1pux h MET 55 CO 0.75 -0.10 1.53 1.63 1.06 0.00 0.00 176.91 181.77 1pux n LYS 56 N -2.82 1.42 -4.04 1.72 5.02 -1.26 -2.29 118.16 115.91 1pux n LYS 56 Ca -0.02 0.31 -0.09 0.00 -2.02 0.00 0.00 58.31 56.49 1pux n LYS 56 Cb 0.07 -3.04 -0.11 0.00 -0.02 0.00 0.00 35.03 31.93 1pux n LYS 56 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pux s ILE 57 N 9.21 0.25 -0.04 -0.18 1.01 -1.26 -4.93 121.20 125.26 1pux s ILE 57 Ca 1.04 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 1pux s ILE 57 Cb -0.45 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1pux s ILE 57 CO 0.36 -0.67 1.21 -2.16 0.00 0.00 0.00 174.94 173.69 1pux s PRO 58 N -2.43 4.36 0.03 2.79 0.04 -1.26 -4.38 135.00 134.14 1pux s PRO 58 Ca -0.06 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1pux s PRO 58 Cb -0.03 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1pux s PRO 58 CO -0.04 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1pux n GLY 59 N 3.37 -4.48 2.68 0.56 0.00 -1.26 -4.91 105.19 101.15 1pux n GLY 59 Ca 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 1.00 -4.03 -0.55 1.61 0.00 -1.26 -4.95 117.12 108.94 1pux n MET 60 Ca 0.00 3.11 -0.24 0.00 -0.00 0.00 0.00 57.70 60.57 1pux n MET 60 Cb 0.00 -4.97 0.17 0.00 0.00 0.00 0.00 33.22 28.42 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 1.38 -2.92 -0.28 6.12 5.68 -1.26 -4.82 116.55 120.45 1pux n ASP 61 Ca -0.25 -0.35 0.13 0.00 -0.50 0.00 0.00 54.79 53.81 1pux n ASP 61 Cb 0.40 -0.84 0.29 0.00 -1.14 0.00 0.00 41.12 39.83 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 2.28 -0.53 0.39 6.12 0.00 -0.97 -4.09 105.19 108.39 1pux n GLY 62 Ca 0.05 -0.45 0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 1.36 0.70 0.06 -0.61 2.04 -1.90 0.12 117.51 119.28 1pux h ILE 63 Ca 0.00 -0.18 -0.22 0.00 1.00 0.00 0.00 64.86 65.46 1pux h ILE 63 Cb 0.55 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1pux h ILE 63 CO 0.00 0.09 -1.15 -0.33 0.00 0.00 0.00 178.15 176.76 1pux h GLU 64 N 0.52 0.13 -0.24 2.37 4.39 -1.95 -3.10 114.58 116.70 1pux h GLU 64 Ca 0.49 -0.22 0.03 0.00 0.34 0.00 0.00 59.36 60.00 1pux h GLU 64 Cb 1.06 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.74 1pux h GLU 64 CO -0.22 1.11 -0.39 0.82 -1.16 0.00 0.00 179.01 179.16 1pux h ILE 65 N -0.62 0.00 -0.87 3.13 1.08 -1.50 1.69 117.51 120.42 1pux h ILE 65 Ca -0.27 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.32 1pux h ILE 65 Cb 1.51 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 35.19 1pux h ILE 65 CO -0.03 0.00 0.56 -0.07 -0.69 0.00 0.00 178.15 177.92 1pux h LEU 66 N -0.31 0.70 0.45 1.44 -0.00 -0.99 0.46 115.31 117.06 1pux h LEU 66 Ca 0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1pux h LEU 66 Cb 0.43 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1pux h LEU 66 CO -0.39 0.39 -0.21 0.11 -0.00 0.00 0.00 178.44 178.33 1pux h LYS 67 N 0.76 -0.58 -0.90 1.13 1.57 -0.37 -2.05 116.57 116.13 1pux h LYS 67 Ca 0.42 0.04 0.21 0.00 -1.87 0.00 0.00 60.65 59.44 1pux h LYS 67 Cb 0.57 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 1pux h LYS 67 CO -0.18 -0.38 0.60 0.00 -0.57 0.00 0.00 179.45 178.91 1pux h ARG 68 N -0.65 0.37 0.39 3.15 3.08 0.27 0.62 114.38 121.61 1pux h ARG 68 Ca -0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1pux h ARG 68 Cb 0.46 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1pux h ARG 68 CO 0.10 0.24 -0.44 1.98 -1.07 0.00 0.00 179.97 180.79 1pux h MET 69 N 0.38 -0.83 -0.28 0.04 4.05 0.14 1.09 114.93 119.52 1pux h MET 69 Ca 0.47 0.06 -0.15 0.00 -0.28 0.00 0.00 59.70 59.79 1pux h MET 69 Cb 1.20 0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 32.19 1pux h MET 69 CO -0.17 -0.55 -0.43 1.57 0.23 0.00 0.00 176.91 177.56 1pux h LYS 70 N -0.86 0.78 -0.28 0.39 5.09 -0.56 -1.28 116.57 119.85 1pux h LYS 70 Ca -0.03 -0.47 0.06 0.00 0.09 0.00 0.00 60.65 60.30 1pux h LYS 70 Cb 0.77 0.04 -0.01 0.00 0.10 0.00 0.00 32.23 33.13 1pux h LYS 70 CO -0.09 1.10 0.19 0.28 -2.09 0.00 0.00 179.45 178.84 1pux h VAL 71 N 0.53 0.92 0.03 0.07 2.07 0.41 -1.33 116.25 118.95 1pux h VAL 71 Ca 0.02 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 1pux h VAL 71 Cb 1.03 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1pux h VAL 71 CO 0.10 0.02 -0.49 0.40 0.02 0.00 0.00 177.57 177.62 1pux h ILE 72 N 0.11 1.51 -3.44 4.57 1.08 0.15 -3.45 117.51 118.04 1pux h ILE 72 Ca 0.13 -2.15 -0.31 0.00 -0.39 0.00 0.00 64.86 62.13 1pux h ILE 72 Cb 0.37 2.84 -0.35 0.00 -3.07 0.00 0.00 36.82 36.60 1pux h ILE 72 CO -0.01 0.61 -0.72 1.51 -0.69 0.00 0.00 178.15 178.84 1pux s ASP 73 N -6.62 0.34 0.00 1.72 1.47 -0.51 -5.00 116.67 108.07 1pux s ASP 73 Ca -0.15 0.07 0.16 0.00 1.18 0.00 0.00 52.55 53.82 1pux s ASP 73 Cb 0.02 -0.06 0.62 0.00 -0.34 0.00 0.00 42.92 43.15 1pux s ASP 73 CO 0.79 -0.16 1.45 -1.84 0.68 0.00 0.00 175.17 176.08 1pux n GLU 74 N 4.50 1.61 0.00 2.11 0.28 -1.15 -3.14 120.64 124.85 1pux n GLU 74 Ca -0.21 -0.94 0.04 0.00 -0.16 0.00 0.00 57.16 55.90 1pux n GLU 74 Cb 0.50 -1.32 -0.01 0.00 1.43 0.00 0.00 31.44 32.04 1pux n GLU 74 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1pux n ASN 75 N 0.19 1.04 -4.73 -1.84 5.15 -1.26 -4.99 115.26 108.82 1pux n ASN 75 Ca 0.14 -1.02 -0.42 0.00 -0.60 0.00 0.00 54.58 52.68 1pux n ASN 75 Cb 0.26 0.54 -0.03 0.00 -0.53 0.00 0.00 39.78 40.03 1pux n ASN 75 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1pux s ILE 76 N -1.35 3.18 -0.29 -1.44 2.07 -1.19 -4.99 121.20 117.19 1pux s ILE 76 Ca 0.07 0.90 -0.06 0.00 -1.41 0.00 0.00 60.65 60.16 1pux s ILE 76 Cb 0.07 -3.58 0.01 0.00 0.13 0.00 0.00 42.46 39.10 1pux s ILE 76 CO 0.25 0.10 0.06 -0.60 -1.91 0.00 0.00 174.94 172.84 1pux s ARG 77 N 0.49 3.00 0.03 3.50 3.52 -1.26 -4.92 118.95 123.31 1pux s ARG 77 Ca 0.61 -0.91 -0.02 0.00 -0.13 0.00 0.00 55.73 55.29 1pux s ARG 77 Cb -0.37 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.69 1pux s ARG 77 CO 0.35 -0.46 0.01 0.08 -0.81 0.00 0.00 175.30 174.47 1pux s VAL 78 N 1.46 0.13 0.00 7.11 1.01 -1.26 -3.99 120.40 124.86 1pux s VAL 78 Ca 0.02 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 61.03 1pux s VAL 78 Cb -0.17 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1pux s VAL 78 CO 0.01 -0.58 -0.26 -0.63 0.00 0.00 0.00 175.10 173.64 1pux s ILE 79 N -2.00 2.09 0.14 2.22 1.01 -1.16 -3.32 121.20 120.19 1pux s ILE 79 Ca -0.11 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.37 1pux s ILE 79 Cb -0.06 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1pux s ILE 79 CO -0.03 0.50 0.17 0.27 0.00 0.00 0.00 174.94 175.86 1pux s ILE 80 N -0.69 4.78 -0.03 2.92 -5.25 -1.19 -3.13 121.20 118.62 1pux s ILE 80 Ca 0.11 -0.89 -0.01 0.00 -0.99 0.00 0.00 60.65 58.87 1pux s ILE 80 Cb -0.10 -3.42 0.03 0.00 2.95 0.00 0.00 42.46 41.92 1pux s ILE 80 CO 0.00 -0.06 0.04 0.00 -1.79 0.00 0.00 174.94 173.13 1pux s MET 81 N -3.02 -0.05 0.00 0.37 0.23 -1.21 -1.05 119.30 114.57 1pux s MET 81 Ca 0.32 0.25 0.00 0.00 -1.03 0.00 0.00 55.69 55.23 1pux s MET 81 Cb -0.11 -0.33 0.00 0.00 -1.53 0.00 0.00 34.83 32.87 1pux s MET 81 CO 0.25 -0.22 0.00 -2.37 -2.03 0.00 0.00 175.02 170.65 1pux n THR 82 N 4.52 0.00 -0.91 3.16 5.66 0.18 -3.78 114.28 123.11 1pux n THR 82 Ca -0.21 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.46 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 -0.08 -1.33 -1.00 1.79 0.00 -1.26 -3.84 120.51 114.79 1pux n ALA 83 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1pux n ALA 83 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 -3.53 -0.02 0.00 0.00 4.11 -1.26 -4.36 117.16 112.10 1pux n TYR 84 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 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 1.81 1.27 1.93 -7.48 0.00 -1.26 -4.56 105.19 96.90 1pux n GLY 85 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 1.78 -0.40 1.61 0.28 -1.26 -4.56 120.64 118.08 1pux n GLU 86 Ca 0.00 -1.40 0.34 0.00 -0.16 0.00 0.00 57.16 55.93 1pux n GLU 86 Cb 0.00 -1.62 0.64 0.00 1.43 0.00 0.00 31.44 31.89 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 2.96 0.23 -0.86 -1.84 3.38 -1.89 0.56 115.31 117.85 1pux h LEU 87 Ca 0.25 0.08 0.22 0.00 0.09 0.00 0.00 57.88 58.52 1pux h LEU 87 Cb 0.93 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 1pux h LEU 87 CO 0.63 -0.04 0.07 0.44 0.09 0.00 0.00 178.44 179.62 1pux h ASP 88 N 0.16 -0.31 -0.02 -0.43 5.19 -1.98 1.63 116.42 120.65 1pux h ASP 88 Ca 0.70 0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 57.32 1pux h ASP 88 Cb 2.28 0.37 0.00 0.00 0.18 0.00 0.00 39.33 42.16 1pux h ASP 88 CO -0.25 -0.23 -0.06 -0.03 -3.12 0.00 0.00 179.24 175.55 1pux h MET 89 N 0.10 0.07 -0.84 3.56 4.05 -0.27 -2.89 114.93 118.71 1pux h MET 89 Ca 0.51 -0.05 0.13 0.00 -0.28 0.00 0.00 59.70 60.00 1pux h MET 89 Cb 0.98 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.73 1pux h MET 89 CO -0.75 0.67 0.55 0.82 0.23 0.00 0.00 176.91 178.43 1pux h ILE 90 N -0.51 0.86 0.82 1.77 5.03 -0.69 -1.66 117.51 123.14 1pux h ILE 90 Ca -0.00 -0.23 -0.04 0.00 -0.12 0.00 0.00 64.86 64.47 1pux h ILE 90 Cb 0.68 0.14 0.01 0.00 -3.03 0.00 0.00 36.82 34.62 1pux h ILE 90 CO 0.01 0.12 -0.42 1.56 -0.68 0.00 0.00 178.15 178.75 1pux h GLN 91 N 0.66 -1.09 -0.56 2.37 1.08 0.23 -2.52 115.11 115.28 1pux h GLN 91 Ca 0.41 0.07 0.11 0.00 -1.45 0.00 0.00 58.65 57.80 1pux h GLN 91 Cb 0.65 0.25 -0.11 0.00 -0.05 0.00 0.00 27.48 28.22 1pux h GLN 91 CO -0.17 -0.73 -0.18 0.93 -0.95 0.00 0.00 178.83 177.73 1pux h GLU 92 N -1.13 -0.04 -1.08 1.46 3.07 -1.15 0.58 114.58 116.29 1pux h GLU 92 Ca -0.11 0.00 0.29 0.00 -0.50 0.00 0.00 59.36 59.04 1pux h GLU 92 Cb 0.88 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.71 1pux h GLU 92 CO 0.17 -0.03 0.71 0.66 -1.40 0.00 0.00 179.01 179.13 1pux h SER 93 N -0.04 0.33 0.15 1.42 4.64 -1.16 0.68 113.55 119.57 1pux h SER 93 Ca 0.26 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.64 1pux h SER 93 Cb 0.45 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1pux h SER 93 CO -0.60 0.05 -0.07 0.50 -0.87 0.00 0.00 176.83 175.85 1pux h LYS 94 N 0.29 -0.19 0.00 4.77 3.11 0.58 -2.07 116.57 123.06 1pux h LYS 94 Ca 0.59 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.45 1pux h LYS 94 Cb 1.71 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.99 1pux h LYS 94 CO -0.24 0.14 0.00 1.05 -2.81 0.00 0.00 179.45 177.59 1pux h GLU 95 N -0.53 0.00 0.00 1.90 4.11 0.10 -0.73 114.58 119.42 1pux h GLU 95 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1pux h GLU 95 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1pux h GLU 95 CO 0.03 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.04 1pux h LEU 96 N 0.00 0.00 0.00 3.06 4.07 0.63 -3.46 115.31 119.61 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 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 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 0.51 1.73 3.80 0.83 0.00 -0.28 -4.66 105.19 107.11 1pux n GLY 97 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 3.17 0.07 4.61 0.00 -0.82 -4.82 121.76 121.97 1pux s ALA 98 Ca 0.00 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.14 1pux s ALA 98 Cb 0.00 -3.15 -0.17 0.00 0.00 0.00 0.00 23.12 19.80 1pux s ALA 98 CO 0.00 0.17 1.60 -0.07 0.00 0.00 0.00 175.76 177.46 1pux h LEU 99 N 2.75 -0.38 0.00 0.00 -0.00 -1.88 -3.45 115.31 112.36 1pux h LEU 99 Ca -0.48 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.37 1pux h LEU 99 Cb 1.19 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 1pux h LEU 99 CO 0.64 -0.22 0.16 1.07 -0.00 0.00 0.00 178.44 180.10 1pux n THR 100 N -5.25 0.00 -3.74 0.22 5.66 -1.26 -5.11 114.28 104.80 1pux n THR 100 Ca -0.10 -0.48 -0.15 0.00 -3.05 0.00 0.00 64.05 60.27 1pux n THR 100 Cb 0.22 0.50 -0.15 0.00 -1.55 0.00 0.00 70.33 69.34 1pux n THR 100 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1pux s HIS 101 N -5.27 -0.08 0.18 1.09 0.09 -1.26 -3.18 115.29 106.85 1pux s HIS 101 Ca 0.09 0.36 0.05 0.00 -0.00 0.00 0.00 55.06 55.56 1pux s HIS 101 Cb -0.02 -0.20 -0.04 0.00 -0.00 0.00 0.00 32.58 32.32 1pux s HIS 101 CO 0.06 -0.16 0.14 -0.06 -0.00 0.00 0.00 174.74 174.72 1pux s PHE 102 N 1.38 3.14 0.06 1.40 0.08 -0.22 -4.99 117.98 118.84 1pux s PHE 102 Ca -0.06 -0.03 0.04 0.00 0.12 0.00 0.00 56.93 57.00 1pux s PHE 102 Cb -0.12 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1pux s PHE 102 CO -0.05 0.52 -0.01 0.00 -0.10 0.00 0.00 175.22 175.59 1pux s ALA 103 N -1.80 3.26 0.03 5.36 0.00 -1.25 0.51 121.76 127.87 1pux s ALA 103 Ca 0.31 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 1pux s ALA 103 Cb -0.10 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 1pux s ALA 103 CO 0.24 0.68 0.29 1.63 0.00 0.00 0.00 175.76 178.60 1pux n LYS 104 N 0.88 -0.08 -2.31 0.00 5.02 -1.26 -2.44 118.16 117.97 1pux n LYS 104 Ca -0.12 0.29 -0.36 0.00 -2.02 0.00 0.00 58.31 56.10 1pux n LYS 104 Cb 0.52 -0.42 -0.04 0.00 -0.02 0.00 0.00 35.03 35.07 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 -5.06 3.04 0.12 1.97 0.04 -1.26 -4.94 135.00 128.92 1pux s PRO 105 Ca -0.02 -0.48 0.05 0.00 0.04 0.00 0.00 61.00 60.59 1pux s PRO 105 Cb 0.02 -4.96 -0.04 0.00 0.04 0.00 0.00 34.50 29.56 1pux s PRO 105 CO 0.12 -2.68 -0.13 -0.59 0.04 0.00 0.00 177.00 173.75 1pux s PHE 106 N 7.41 1.33 -0.01 0.56 -0.12 -1.02 -5.14 117.98 120.99 1pux s PHE 106 Ca 0.56 -0.58 0.05 0.00 -0.05 0.00 0.00 56.93 56.90 1pux s PHE 106 Cb -0.05 -0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 41.61 1pux s PHE 106 CO 0.01 0.12 -0.14 0.34 -0.05 0.00 0.00 175.22 175.50 1pux s ASP 107 N -2.50 4.09 0.43 1.98 -1.08 -1.26 -5.00 116.67 113.32 1pux s ASP 107 Ca 0.09 -0.25 0.23 0.00 -0.52 0.00 0.00 52.55 52.10 1pux s ASP 107 Cb -0.04 -0.83 0.79 0.00 -1.46 0.00 0.00 42.92 41.39 1pux s ASP 107 CO 0.02 0.30 1.77 0.40 0.52 0.00 0.00 175.17 178.19 1pux h ILE 108 N 4.09 0.53 -0.19 4.11 5.03 -2.01 -2.25 117.51 126.81 1pux h ILE 108 Ca -0.47 -1.23 -0.18 0.00 -0.12 0.00 0.00 64.86 62.87 1pux h ILE 108 Cb 1.16 1.86 -0.00 0.00 -3.03 0.00 0.00 36.82 36.80 1pux h ILE 108 CO 0.50 0.23 -0.60 -0.78 -0.68 0.00 0.00 178.15 176.82 1pux h ASP 109 N 0.00 0.70 1.17 1.72 3.58 -1.99 -2.06 116.42 119.54 1pux h ASP 109 Ca -0.00 -0.40 -0.08 0.00 0.42 0.00 0.00 57.03 56.97 1pux h ASP 109 Cb 0.84 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1pux h ASP 109 CO 0.03 1.14 -0.40 1.05 -2.88 0.00 0.00 179.24 178.18 1pux h GLU 110 N 0.47 0.00 0.00 0.28 4.11 -1.92 -2.81 114.58 114.71 1pux h GLU 110 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1pux h GLU 110 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1pux h GLU 110 CO 0.12 0.40 -0.06 0.82 0.07 0.00 0.00 179.01 180.35 1pux h ILE 111 N 0.00 0.11 0.00 -1.06 2.04 -1.20 -2.93 117.51 114.47 1pux h ILE 111 Ca -0.00 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1pux h ILE 111 Cb 1.09 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1pux h ILE 111 CO 0.05 0.06 0.00 0.03 0.00 0.00 0.00 178.15 178.29 1pux h ARG 112 N 0.00 0.00 0.00 2.37 3.08 -1.10 -1.12 114.38 117.61 1pux h ARG 112 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1pux h ARG 112 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1pux h ARG 112 CO 0.01 0.00 -0.47 0.22 -1.07 0.00 0.00 179.97 178.65 1pux h ASP 113 N 0.00 0.00 0.14 7.04 1.82 -1.57 -3.23 116.42 120.61 1pux h ASP 113 Ca 0.00 -0.73 -0.02 0.00 -0.39 0.00 0.00 57.03 55.89 1pux h ASP 113 Cb 0.67 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 1pux h ASP 113 CO 0.00 1.14 -0.10 0.00 -1.61 0.00 0.00 179.24 178.67 1pux h ALA 114 N -0.27 1.69 -0.86 -0.78 0.00 -1.54 -1.25 119.26 116.26 1pux h ALA 114 Ca -0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1pux h ALA 114 Cb 1.03 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1pux h ALA 114 CO -0.08 0.13 0.43 0.28 0.00 0.00 0.00 179.25 180.02 1pux h VAL 115 N 0.00 1.26 0.00 0.00 2.07 -1.30 0.85 116.25 119.13 1pux h VAL 115 Ca -0.00 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1pux h VAL 115 Cb 0.20 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1pux h VAL 115 CO 0.01 0.30 0.00 1.17 0.02 0.00 0.00 177.57 179.08 1pux n LYS 116 N -4.33 0.14 -0.05 1.57 0.00 -0.47 0.20 118.16 115.22 1pux n LYS 116 Ca 0.09 0.60 -0.03 0.00 0.00 0.00 0.00 58.31 58.97 1pux n LYS 116 Cb 0.12 -1.92 -0.10 0.00 0.00 0.00 0.00 35.03 33.13 1pux n LYS 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pux n LYS 117 N -2.22 1.51 -0.06 1.64 5.02 0.23 -4.63 118.16 119.65 1pux n LYS 117 Ca -0.01 -0.04 -0.18 0.00 -2.02 0.00 0.00 58.31 56.07 1pux n LYS 117 Cb 0.06 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 1pux n LYS 117 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1pux h TYR 118 N 0.00 0.09 -3.97 2.13 3.20 0.24 -3.47 116.97 115.19 1pux h TYR 118 Ca -0.27 -0.06 -0.34 0.00 3.14 0.00 0.00 58.73 61.21 1pux h TYR 118 Cb 1.51 -0.00 -0.24 0.00 1.54 0.00 0.00 36.73 39.54 1pux h TYR 118 CO 0.00 1.24 -0.76 -1.17 -1.64 0.00 0.00 178.16 175.83 1pux s LEU 119 N -8.01 2.17 -0.87 2.82 1.98 0.53 -5.04 118.68 112.27 1pux s LEU 119 Ca -0.22 -0.41 -0.07 0.00 -2.89 0.00 0.00 54.13 50.54 1pux s LEU 119 Cb 0.01 -0.32 -0.11 0.00 0.66 0.00 0.00 46.19 46.43 1pux s LEU 119 CO 0.68 -0.07 2.59 -0.81 -1.89 0.00 0.00 176.35 176.85 1pux n PRO 120 N 1.94 2.42 -2.89 0.98 -0.04 -1.26 -3.78 135.00 132.36 1pux n PRO 120 Ca -0.19 -1.48 -0.22 0.00 -0.04 0.00 0.00 63.50 61.57 1pux n PRO 120 Cb 0.56 -2.39 0.02 0.00 -0.04 0.00 0.00 33.50 31.64 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 3.55 -0.17 1.53 2.96 -1.26 -4.98 118.68 120.39 1pux s LEU 121 Ca 0.52 0.21 -0.38 0.00 -0.22 0.00 0.00 54.13 54.26 1pux s LEU 121 Cb 0.17 -3.09 -0.15 0.00 0.50 0.00 0.00 46.19 43.62 1pux s LEU 121 CO -0.03 -0.82 1.71 1.17 -1.32 0.00 0.00 176.35 177.07 1pux n LYS 122 N -2.15 1.40 -1.58 1.98 0.00 -1.26 -4.78 118.16 111.77 1pux n LYS 122 Ca 0.03 0.51 -0.42 0.00 0.00 0.00 0.00 58.31 58.44 1pux n LYS 122 Cb 0.58 -2.23 0.01 0.00 0.00 0.00 0.00 35.03 33.39 1pux n LYS 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1pux n SER 123 N 5.18 0.91 0.00 3.14 2.88 -1.26 -4.93 113.62 119.54 1pux n SER 123 Ca 0.24 1.03 0.02 0.00 -1.33 0.00 0.00 58.87 58.83 1pux n SER 123 Cb 0.18 -1.31 0.11 0.00 -0.75 0.00 0.00 64.21 62.43 1pux n SER 123 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61