#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dku s PHE 2 N 0.00 3.15 -0.04 2.03 5.36 -1.26 -5.04 117.98 122.19 3dku s PHE 2 Ca 0.00 1.36 0.01 0.00 -0.96 0.00 0.00 56.93 57.34 3dku s PHE 2 Cb 0.00 -3.63 0.02 0.00 -0.34 0.00 0.00 43.02 39.07 3dku s PHE 2 CO 0.00 -1.81 -0.03 0.15 -1.46 0.00 0.00 175.22 172.07 3dku s LYS 3 N -1.21 0.64 0.54 10.12 1.02 -1.26 -5.14 119.74 124.45 3dku s LYS 3 Ca 0.51 -0.04 -0.17 0.00 0.02 0.00 0.00 55.97 56.30 3dku s LYS 3 Cb -0.38 -0.72 -0.07 0.00 -0.52 0.00 0.00 37.83 36.14 3dku s LYS 3 CO 0.47 -0.10 1.01 -1.25 -0.92 0.00 0.00 175.35 174.56 3dku s PRO 4 N 0.97 3.73 0.14 -1.68 0.04 -1.26 -4.98 135.00 131.96 3dku s PRO 4 Ca -0.10 1.07 -0.31 0.00 0.04 0.00 0.00 61.00 61.70 3dku s PRO 4 Cb -0.14 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 3dku s PRO 4 CO -0.01 -0.46 1.33 -1.01 0.04 0.00 0.00 177.00 176.89 3dku s HIS 5 N -2.51 3.28 -0.23 0.56 3.76 0.35 -4.91 115.29 115.58 3dku s HIS 5 Ca 0.61 1.12 -0.09 0.00 -0.15 0.00 0.00 55.06 56.55 3dku s HIS 5 Cb -0.12 -3.61 -0.04 0.00 1.11 0.00 0.00 32.58 29.91 3dku s HIS 5 CO 0.32 -2.01 0.10 0.08 -0.85 0.00 0.00 174.74 172.38 3dku s VAL 6 N 0.66 4.85 0.32 -0.90 1.01 -1.26 -0.18 120.40 124.90 3dku s VAL 6 Ca 0.60 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.67 3dku s VAL 6 Cb -0.36 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 3dku s VAL 6 CO 0.33 0.37 -0.08 0.42 0.00 0.00 0.00 175.10 176.15 3dku s THR 7 N 1.05 2.03 0.11 3.92 -4.23 0.11 -0.85 115.64 117.77 3dku s THR 7 Ca 0.05 -2.18 0.03 0.00 -1.18 0.00 0.00 61.69 58.42 3dku s THR 7 Cb -0.14 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 3dku s THR 7 CO 0.04 -0.23 -0.09 0.68 -0.54 0.00 0.00 174.62 174.47 3dku s VAL 8 N -2.75 0.93 0.06 2.29 -7.23 0.52 -0.80 120.40 113.42 3dku s VAL 8 Ca 0.32 -1.82 -0.23 0.00 -1.81 0.00 0.00 61.98 58.44 3dku s VAL 8 Cb 0.03 -1.56 0.06 0.00 0.56 0.00 0.00 36.38 35.47 3dku s VAL 8 CO 0.15 -0.69 0.55 0.00 -0.31 0.00 0.00 175.10 174.80 3dku s ALA 9 N -2.96 -1.40 -0.07 1.32 0.00 0.12 -1.89 121.76 116.88 3dku s ALA 9 Ca 0.10 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.72 3dku s ALA 9 Cb 0.01 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.57 3dku s ALA 9 CO -0.01 -0.54 -0.16 0.00 0.00 0.00 0.00 175.76 175.04 3dku s VAL 11 N 0.38 4.72 -0.28 0.00 1.01 0.36 -4.11 120.40 122.48 3dku s VAL 11 Ca -0.12 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 3dku s VAL 11 Cb -0.15 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 3dku s VAL 11 CO 0.04 -0.77 0.11 -0.69 0.00 0.00 0.00 175.10 173.80 3dku s VAL 12 N 3.08 4.49 -0.06 2.92 1.01 -1.26 -0.45 120.40 130.13 3dku s VAL 12 Ca 0.24 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.97 3dku s VAL 12 Cb -0.15 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 3dku s VAL 12 CO 0.18 0.20 -0.20 -2.28 0.00 0.00 0.00 175.10 173.00 3dku s HIS 13 N 1.62 2.05 -0.25 5.22 5.04 0.10 0.37 115.29 129.43 3dku s HIS 13 Ca 0.05 -0.69 -0.26 0.00 -1.54 0.00 0.00 55.06 52.63 3dku s HIS 13 Cb -0.16 -1.38 0.08 0.00 0.04 0.00 0.00 32.58 31.16 3dku s HIS 13 CO 0.05 -0.26 0.79 0.00 -2.34 0.00 0.00 174.74 172.99 3dku s ALA 14 N 0.17 -1.82 -1.38 1.58 0.00 -0.42 -1.29 121.76 118.60 3dku s ALA 14 Ca -0.09 1.93 -0.10 0.00 0.00 0.00 0.00 51.96 53.70 3dku s ALA 14 Cb -0.14 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.85 3dku s ALA 14 CO 0.04 -0.32 0.38 0.39 0.00 0.00 0.00 175.76 176.25 3dku n GLU 15 N 2.41 -1.63 -1.16 0.00 1.02 -1.26 0.07 120.64 120.09 3dku n GLU 15 Ca -0.14 0.24 -0.06 0.00 -0.02 0.00 0.00 57.16 57.18 3dku n GLU 15 Cb 0.55 -3.76 -0.02 0.00 -0.02 0.00 0.00 31.44 28.19 3dku n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dku n GLY 16 N -2.17 0.61 3.50 0.62 0.00 -1.26 -4.96 105.19 101.52 3dku n GLY 16 Ca -0.25 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 3dku n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dku s LYS 17 N -2.22 1.71 -0.09 1.61 -0.14 0.11 -4.42 119.74 116.30 3dku s LYS 17 Ca 0.00 -1.86 0.02 0.00 -1.36 0.00 0.00 55.97 52.76 3dku s LYS 17 Cb 0.00 -1.54 0.02 0.00 -1.68 0.00 0.00 37.83 34.62 3dku s LYS 17 CO 0.00 0.14 -0.13 -0.06 -0.76 0.00 0.00 175.35 174.54 3dku s PHE 18 N -2.72 1.68 0.04 3.18 0.08 0.21 -1.30 117.98 119.15 3dku s PHE 18 Ca 0.31 -0.73 -0.31 0.00 0.12 0.00 0.00 56.93 56.33 3dku s PHE 18 Cb 0.02 -1.24 -0.07 0.00 -0.57 0.00 0.00 43.02 41.16 3dku s PHE 18 CO 0.15 -0.39 1.44 -1.17 -0.10 0.00 0.00 175.22 175.14 3dku s LEU 19 N 0.95 4.34 0.07 -0.37 2.96 0.16 -3.21 118.68 123.58 3dku s LEU 19 Ca -0.08 2.23 0.04 0.00 -0.22 0.00 0.00 54.13 56.10 3dku s LEU 19 Cb -0.15 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 3dku s LEU 19 CO -0.00 -0.73 -0.13 0.54 -1.32 0.00 0.00 176.35 174.72 3dku s VAL 20 N 2.08 0.98 0.05 1.68 0.11 -0.61 -4.42 120.40 120.27 3dku s VAL 20 Ca 0.66 -1.27 0.05 0.00 -2.93 0.00 0.00 61.98 58.49 3dku s VAL 20 Cb -0.34 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.50 3dku s VAL 20 CO 0.28 -0.27 -0.16 0.68 -3.33 0.00 0.00 175.10 172.30 3dku s VAL 21 N -1.35 1.23 -0.25 2.04 -7.23 0.18 -2.57 120.40 112.45 3dku s VAL 21 Ca -0.03 -1.13 -0.10 0.00 -1.81 0.00 0.00 61.98 58.91 3dku s VAL 21 Cb -0.10 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3dku s VAL 21 CO 0.02 -0.02 0.14 -0.70 -0.31 0.00 0.00 175.10 174.22 3dku s GLU 22 N -1.33 3.91 -0.05 4.82 2.12 0.49 -2.00 118.70 126.66 3dku s GLU 22 Ca 0.02 -0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.05 3dku s GLU 22 Cb -0.09 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 3dku s GLU 22 CO 0.02 -0.07 -0.19 -2.00 -0.54 0.00 0.00 175.26 172.47 3dku s GLU 23 N 1.39 1.99 -1.03 4.30 2.12 0.08 -0.99 118.70 126.56 3dku s GLU 23 Ca 0.06 -0.70 -0.14 0.00 0.36 0.00 0.00 54.97 54.56 3dku s GLU 23 Cb -0.15 -1.72 0.19 0.00 0.26 0.00 0.00 34.13 32.71 3dku s GLU 23 CO 0.06 0.29 1.14 0.99 -0.54 0.00 0.00 175.26 177.20 3dku s THR 24 N -0.04 5.26 -0.38 -1.70 2.01 -1.26 -0.25 115.64 119.29 3dku s THR 24 Ca -0.03 -2.45 -0.20 0.00 0.31 0.00 0.00 61.69 59.31 3dku s THR 24 Cb -0.12 -4.72 0.01 0.00 0.01 0.00 0.00 72.50 67.68 3dku s THR 24 CO 0.02 -1.38 0.62 -0.51 -0.69 0.00 0.00 174.62 172.69 3dku s ILE 25 N 1.03 4.89 -0.19 1.82 2.07 -0.21 -4.54 121.20 126.06 3dku s ILE 25 Ca 0.32 0.42 -0.17 0.00 -1.41 0.00 0.00 60.65 59.81 3dku s ILE 25 Cb -0.06 -4.10 0.03 0.00 0.13 0.00 0.00 42.46 38.46 3dku s ILE 25 CO -0.06 -0.38 0.29 -3.20 -1.91 0.00 0.00 174.94 169.68 3dku n ASN 26 N 6.06 -5.39 0.00 4.50 4.05 -1.26 -2.72 115.26 120.50 3dku n ASN 26 Ca -0.02 0.11 0.00 0.00 0.45 0.00 0.00 54.58 55.12 3dku n ASN 26 Cb 0.48 -1.41 0.00 0.00 1.23 0.00 0.00 39.78 40.08 3dku n ASN 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3dku n GLY 27 N 0.55 1.92 3.60 8.20 0.00 -1.26 -4.97 105.19 113.22 3dku n GLY 27 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3dku n GLY 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dku s LYS 28 N 0.00 3.05 -0.32 1.61 2.20 -1.10 -5.10 119.74 120.08 3dku s LYS 28 Ca 0.00 -0.49 -0.20 0.00 -0.36 0.00 0.00 55.97 54.92 3dku s LYS 28 Cb 0.00 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 3dku s LYS 28 CO 0.00 0.58 0.60 0.00 -0.36 0.00 0.00 175.35 176.17 3dku s ALA 29 N -0.56 3.50 0.07 3.13 0.00 -1.26 -1.05 121.76 125.59 3dku s ALA 29 Ca 0.09 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.35 3dku s ALA 29 Cb -0.12 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3dku s ALA 29 CO 0.02 -1.15 -0.18 -0.51 0.00 0.00 0.00 175.76 173.94 3dku s LEU 30 N 2.57 2.23 0.19 0.00 1.02 0.65 -4.92 118.68 120.43 3dku s LEU 30 Ca 0.23 -0.58 0.07 0.00 0.02 0.00 0.00 54.13 53.88 3dku s LEU 30 Cb -0.15 -0.78 -0.04 0.00 0.02 0.00 0.00 46.19 45.24 3dku s LEU 30 CO 0.13 0.06 0.03 0.26 0.02 0.00 0.00 176.35 176.85 3dku s TRP 31 N -1.01 2.88 0.12 0.29 0.52 -0.18 -0.75 118.94 120.82 3dku s TRP 31 Ca 0.04 -0.13 -0.24 0.00 0.02 0.00 0.00 56.10 55.78 3dku s TRP 31 Cb -0.09 -1.37 0.08 0.00 -1.15 0.00 0.00 33.47 30.94 3dku s TRP 31 CO 0.03 0.53 0.65 1.21 0.02 0.00 0.00 176.95 179.39 3dku s ASN 32 N -3.16 -0.54 0.57 2.95 3.84 -0.85 -0.23 114.94 117.52 3dku s ASN 32 Ca 0.29 0.04 -0.19 0.00 0.21 0.00 0.00 52.86 53.21 3dku s ASN 32 Cb -0.09 0.56 -0.05 0.00 -0.55 0.00 0.00 41.25 41.13 3dku s ASN 32 CO 0.20 -0.89 1.17 -1.10 -2.79 0.00 0.00 177.10 173.69 3dku s GLN 33 N -3.49 3.16 -0.21 0.43 1.11 -1.26 -0.65 119.66 118.75 3dku s GLN 33 Ca 0.01 1.72 -0.36 0.00 0.01 0.00 0.00 55.36 56.74 3dku s GLN 33 Cb -0.01 -1.97 -0.13 0.00 -1.01 0.00 0.00 33.01 29.89 3dku s GLN 33 CO -0.11 -1.03 1.89 -2.30 0.01 0.00 0.00 175.29 173.75 3dku n PRO 34 N -1.45 1.63 -3.48 2.91 -0.02 -1.26 -4.78 135.00 128.56 3dku n PRO 34 Ca 0.13 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 62.05 3dku n PRO 34 Cb 0.50 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 3dku n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dku s ALA 35 N 4.50 -1.54 0.00 3.55 0.00 -1.26 -1.64 121.76 125.37 3dku s ALA 35 Ca 0.98 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3dku s ALA 35 Cb -0.85 0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3dku s ALA 35 CO 0.56 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3dku n GLY 36 N -0.02 0.66 3.78 0.00 0.00 -0.79 -5.00 105.19 103.82 3dku n GLY 36 Ca -0.17 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 3dku n GLY 36 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dku s HIS 37 N -2.61 3.83 0.70 1.61 3.76 -1.26 -0.35 115.29 120.96 3dku s HIS 37 Ca 0.00 1.45 -0.16 0.00 -0.15 0.00 0.00 55.06 56.19 3dku s HIS 37 Cb 0.00 -2.67 0.02 0.00 1.11 0.00 0.00 32.58 31.04 3dku s HIS 37 CO 0.00 0.49 1.25 -1.17 -0.85 0.00 0.00 174.74 174.47 3dku s LEU 38 N -0.90 3.43 0.24 0.89 2.96 -0.03 -4.87 118.68 120.40 3dku s LEU 38 Ca 0.33 2.50 0.04 0.00 -0.22 0.00 0.00 54.13 56.78 3dku s LEU 38 Cb -0.21 -4.60 -0.05 0.00 0.50 0.00 0.00 46.19 41.82 3dku s LEU 38 CO 0.22 -2.19 -0.00 -1.61 -1.32 0.00 0.00 176.35 171.45 3dku s GLU 39 N -3.66 1.38 0.36 1.98 2.02 -1.26 -4.92 118.70 114.60 3dku s GLU 39 Ca 0.79 -1.70 -0.24 0.00 0.02 0.00 0.00 54.97 53.83 3dku s GLU 39 Cb -0.33 -0.66 -0.14 0.00 0.10 0.00 0.00 34.13 33.09 3dku s GLU 39 CO 0.43 -0.10 0.51 0.00 0.02 0.00 0.00 175.26 176.12 3dku n ALA 40 N -0.45 -1.89 -2.46 5.21 0.00 -1.26 -3.28 120.51 116.38 3dku n ALA 40 Ca -0.05 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 3dku n ALA 40 Cb 0.64 -1.72 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 3dku n ALA 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dku n ASP 41 N 1.61 -5.95 -3.85 0.00 10.43 -1.26 -4.93 116.55 112.60 3dku n ASP 41 Ca 0.12 -0.05 -0.12 0.00 2.57 0.00 0.00 54.79 57.32 3dku n ASP 41 Cb 0.36 -4.93 -0.13 0.00 1.84 0.00 0.00 41.12 38.26 3dku n ASP 41 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 3dku s GLU 42 N -5.11 0.10 0.41 -1.24 -1.05 -1.20 -5.04 118.70 105.57 3dku s GLU 42 Ca 0.03 0.05 -0.23 0.00 -0.15 0.00 0.00 54.97 54.68 3dku s GLU 42 Cb -0.01 0.05 -0.09 0.00 -0.44 0.00 0.00 34.13 33.63 3dku s GLU 42 CO 0.04 -0.01 1.03 -0.08 0.95 0.00 0.00 175.26 177.19 3dku s THR 43 N -0.06 3.82 0.22 1.83 -1.32 -1.26 -4.78 115.64 114.09 3dku s THR 43 Ca -0.01 1.32 -0.14 0.00 -1.21 0.00 0.00 61.69 61.65 3dku s THR 43 Cb -0.01 -3.65 0.25 0.00 -1.51 0.00 0.00 72.50 67.58 3dku s THR 43 CO 0.00 -0.06 1.61 -0.07 -2.21 0.00 0.00 174.62 173.89 3dku h LEU 44 N 2.30 -0.78 -0.54 9.08 3.38 -1.97 0.32 115.31 127.11 3dku h LEU 44 Ca -0.48 0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3dku h LEU 44 Cb 1.21 0.47 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 3dku h LEU 44 CO 0.62 -0.25 0.12 -0.37 0.09 0.00 0.00 178.44 178.64 3dku h VAL 45 N -0.04 1.25 -0.89 1.22 -1.51 -1.93 -2.71 116.25 111.65 3dku h VAL 45 Ca 0.32 -0.90 0.11 0.00 -1.23 0.00 0.00 66.70 65.01 3dku h VAL 45 Cb 0.53 0.80 -0.08 0.00 -2.13 0.00 0.00 31.29 30.41 3dku h VAL 45 CO -0.72 0.33 0.52 -0.33 -1.23 0.00 0.00 177.57 176.13 3dku h GLU 46 N 0.76 0.80 -0.75 5.19 5.08 -1.62 -1.37 114.58 122.67 3dku h GLU 46 Ca 0.17 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3dku h GLU 46 Cb 0.36 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3dku h GLU 46 CO 0.00 0.53 0.31 0.00 -1.00 0.00 0.00 179.01 178.86 3dku h ALA 47 N 1.50 0.98 -0.60 3.43 0.00 -0.70 0.97 119.26 124.83 3dku h ALA 47 Ca 0.44 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3dku h ALA 47 Cb 0.47 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3dku h ALA 47 CO -0.28 0.59 0.36 0.00 0.00 0.00 0.00 179.25 179.92 3dku h ALA 48 N 1.16 0.78 -0.20 0.00 0.00 -1.05 0.14 119.26 120.10 3dku h ALA 48 Ca 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3dku h ALA 48 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3dku h ALA 48 CO -0.02 0.08 0.10 0.00 0.00 0.00 0.00 179.25 179.41 3dku h ALA 49 N 1.27 0.24 -0.02 0.00 0.00 -0.79 -1.54 119.26 118.42 3dku h ALA 49 Ca 0.25 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3dku h ALA 49 Cb 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3dku h ALA 49 CO -0.12 -0.32 0.01 -0.09 0.00 0.00 0.00 179.25 178.74 3dku h ARG 50 N 0.21 0.03 -0.63 0.00 2.43 -0.44 -1.26 114.38 114.72 3dku h ARG 50 Ca 0.08 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3dku h ARG 50 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3dku h ARG 50 CO -0.06 0.05 0.31 0.93 -1.51 0.00 0.00 179.97 179.69 3dku h GLU 51 N -0.00 0.91 -0.48 0.20 4.39 -0.75 0.43 114.58 119.27 3dku h GLU 51 Ca 0.01 -0.13 0.10 0.00 0.34 0.00 0.00 59.36 59.67 3dku h GLU 51 Cb 0.03 -0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 28.42 3dku h GLU 51 CO -0.00 0.73 -0.12 1.25 -1.16 0.00 0.00 179.01 179.70 3dku h LEU 52 N 0.87 -0.45 0.36 1.33 6.46 -1.12 -0.98 115.31 121.77 3dku h LEU 52 Ca 0.22 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 58.11 3dku h LEU 52 Cb 0.12 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 3dku h LEU 52 CO -0.03 -0.16 -0.17 -0.25 -0.62 0.00 0.00 178.44 177.21 3dku h TRP 53 N -0.00 -0.45 -0.05 1.25 7.01 -0.50 0.92 115.95 124.14 3dku h TRP 53 Ca 0.23 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.24 3dku h TRP 53 Cb 0.35 0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.56 3dku h TRP 53 CO -0.41 -0.16 0.06 0.93 -2.79 0.00 0.00 178.44 176.07 3dku h GLU 54 N -0.69 0.00 0.00 2.65 5.08 0.10 1.20 114.58 122.92 3dku h GLU 54 Ca -0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3dku h GLU 54 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3dku h GLU 54 CO 0.08 0.00 -1.64 0.39 -1.00 0.00 0.00 179.01 176.84 3dku n GLU 55 N -3.79 1.16 0.00 2.33 1.02 -0.40 -1.30 120.64 119.66 3dku n GLU 55 Ca -0.02 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3dku n GLU 55 Cb 0.16 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 3dku n GLU 55 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3dku n THR 56 N -2.13 0.00 -1.72 2.62 -2.24 0.29 -4.18 114.28 106.92 3dku n THR 56 Ca -0.09 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.66 3dku n THR 56 Cb 0.55 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 3dku n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dku n GLY 57 N 2.26 0.38 3.82 3.38 0.00 0.41 0.16 105.19 115.60 3dku n GLY 57 Ca 0.00 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 3dku n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dku s ILE 58 N -2.16 4.58 -0.34 -0.61 -4.36 -1.26 -4.74 121.20 112.32 3dku s ILE 58 Ca 0.00 -1.11 -0.06 0.00 -0.26 0.00 0.00 60.65 59.21 3dku s ILE 58 Cb 0.00 -3.38 0.04 0.00 1.25 0.00 0.00 42.46 40.37 3dku s ILE 58 CO 0.00 -0.17 0.10 -0.55 0.24 0.00 0.00 174.94 174.56 3dku s SER 59 N -3.31 5.30 -0.17 4.36 0.15 -1.26 -3.30 113.70 115.47 3dku s SER 59 Ca 0.32 -1.16 -0.28 0.00 0.70 0.00 0.00 55.95 55.53 3dku s SER 59 Cb -0.10 -1.86 0.08 0.00 -1.71 0.00 0.00 66.02 62.43 3dku s SER 59 CO 0.24 -0.33 0.74 0.00 1.20 0.00 0.00 173.24 175.10 3dku s ALA 60 N 1.39 -1.80 -0.18 5.45 0.00 -1.26 -5.13 121.76 120.24 3dku s ALA 60 Ca -0.02 1.70 -0.09 0.00 0.00 0.00 0.00 51.96 53.55 3dku s ALA 60 Cb -0.20 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 3dku s ALA 60 CO 0.03 -0.34 0.12 -1.14 0.00 0.00 0.00 175.76 174.42 3dku s GLN 61 N -0.37 4.00 0.17 0.00 2.00 -1.26 -4.56 119.66 119.63 3dku s GLN 61 Ca -0.04 -0.22 -0.33 0.00 -2.00 0.00 0.00 55.36 52.76 3dku s GLN 61 Cb -0.03 -3.34 -0.15 0.00 0.80 0.00 0.00 33.01 30.29 3dku s GLN 61 CO 0.04 0.40 1.29 -2.30 -0.50 0.00 0.00 175.29 174.22 3dku n PRO 62 N 3.20 1.44 -0.08 1.67 -0.02 -1.26 -4.90 135.00 135.05 3dku n PRO 62 Ca -0.17 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.60 3dku n PRO 62 Cb 0.53 -2.10 -0.12 0.00 -0.02 0.00 0.00 33.50 31.78 3dku n PRO 62 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3dku n GLN 63 N 2.12 0.64 -4.24 -0.52 6.02 -0.80 -5.02 117.38 115.58 3dku n GLN 63 Ca 0.15 0.38 -0.17 0.00 -0.01 0.00 0.00 57.00 57.35 3dku n GLN 63 Cb 0.25 -1.67 -0.11 0.00 1.02 0.00 0.00 30.24 29.73 3dku n GLN 63 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3dku s HIS 64 N -2.47 1.36 -0.22 1.08 3.76 -1.13 -4.60 115.29 113.07 3dku s HIS 64 Ca -0.29 -0.59 -0.18 0.00 -0.15 0.00 0.00 55.06 53.84 3dku s HIS 64 Cb 0.08 -0.70 -0.03 0.00 1.11 0.00 0.00 32.58 33.03 3dku s HIS 64 CO 0.63 0.13 0.51 0.12 -0.85 0.00 0.00 174.74 175.29 3dku s PHE 65 N -2.37 3.34 -0.14 1.40 5.36 0.15 -1.00 117.98 124.72 3dku s PHE 65 Ca 0.10 0.73 -0.27 0.00 -0.96 0.00 0.00 56.93 56.53 3dku s PHE 65 Cb -0.03 -2.68 -0.26 0.00 -0.34 0.00 0.00 43.02 39.71 3dku s PHE 65 CO 0.03 -0.15 0.72 0.82 -1.46 0.00 0.00 175.22 175.17 3dku h ILE 66 N 5.20 1.66 0.00 3.12 2.04 -1.12 0.48 117.51 128.90 3dku h ILE 66 Ca -0.32 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.19 3dku h ILE 66 Cb 1.15 3.24 0.00 0.00 -0.74 0.00 0.00 36.82 40.47 3dku h ILE 66 CO 0.73 0.59 0.00 -1.14 0.00 0.00 0.00 178.15 178.33 3dku n ARG 67 N -4.54 0.00 -4.48 2.37 0.63 -1.17 -4.69 116.66 104.78 3dku n ARG 67 Ca -0.13 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.46 3dku n ARG 67 Cb 0.54 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.35 3dku n ARG 67 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 3dku s MET 68 N -2.00 2.85 -0.19 -0.14 -2.45 -1.26 -1.03 119.30 115.08 3dku s MET 68 Ca 0.00 -0.50 -0.01 0.00 -1.25 0.00 0.00 55.69 53.93 3dku s MET 68 Cb 0.00 -2.68 0.00 0.00 1.25 0.00 0.00 34.83 33.40 3dku s MET 68 CO 0.00 0.68 -0.12 -1.01 1.05 0.00 0.00 175.02 175.61 3dku s HIS 69 N -0.87 2.86 -0.18 4.11 3.76 0.08 -4.94 115.29 120.10 3dku s HIS 69 Ca 0.14 -1.21 -0.12 0.00 -0.15 0.00 0.00 55.06 53.72 3dku s HIS 69 Cb -0.11 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 3dku s HIS 69 CO 0.03 -0.62 0.20 -1.14 -0.85 0.00 0.00 174.74 172.36 3dku s GLN 70 N 1.26 4.20 0.24 1.40 0.74 -1.26 -0.93 119.66 125.31 3dku s GLN 70 Ca 0.03 -0.08 -0.21 0.00 0.05 0.00 0.00 55.36 55.15 3dku s GLN 70 Cb -0.14 -3.42 0.04 0.00 1.10 0.00 0.00 33.01 30.59 3dku s GLN 70 CO -0.06 0.28 0.68 1.67 -0.55 0.00 0.00 175.29 177.31 3dku s TRP 71 N 0.38 -0.29 -0.18 1.67 1.48 -0.56 -5.01 118.94 116.43 3dku s TRP 71 Ca 0.12 -0.09 0.00 0.00 -1.06 0.00 0.00 56.10 55.07 3dku s TRP 71 Cb -0.12 0.65 0.04 0.00 -1.16 0.00 0.00 33.47 32.88 3dku s TRP 71 CO 0.01 -1.11 -0.08 0.42 -4.06 0.00 0.00 176.95 172.12 3dku s ILE 72 N -3.87 1.38 0.89 0.66 1.01 -1.26 0.62 121.20 120.62 3dku s ILE 72 Ca 0.08 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 3dku s ILE 72 Cb -0.04 -1.49 0.12 0.00 0.01 0.00 0.00 42.46 41.06 3dku s ILE 72 CO 0.01 0.18 1.09 0.00 0.00 0.00 0.00 174.94 176.22 3dku s ALA 73 N 1.52 1.62 0.23 9.38 0.00 -0.62 -4.86 121.76 129.03 3dku s ALA 73 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 3dku s ALA 73 Cb -0.15 -3.18 0.39 0.00 0.00 0.00 0.00 23.12 20.18 3dku s ALA 73 CO -0.08 -2.29 1.76 -1.35 0.00 0.00 0.00 175.76 173.79 3dku h PRO 74 N -1.50 0.51 -1.39 0.00 0.11 -2.01 0.68 132.00 128.39 3dku h PRO 74 Ca -0.49 -0.03 0.43 0.00 0.11 0.00 0.00 66.00 66.02 3dku h PRO 74 Cb 1.28 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 3dku h PRO 74 CO 0.55 0.34 0.96 -3.47 -0.21 0.00 0.00 178.00 176.17 3dku n ASP 75 N -4.93 0.08 0.00 -2.05 4.64 -1.26 -4.83 116.55 108.20 3dku n ASP 75 Ca 0.13 0.96 0.00 0.00 -1.38 0.00 0.00 54.79 54.50 3dku n ASP 75 Cb 0.34 -0.48 0.00 0.00 -1.04 0.00 0.00 41.12 39.94 3dku n ASP 75 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3dku n LYS 76 N -3.93 0.00 -2.34 -0.67 3.00 0.23 -5.05 118.16 109.40 3dku n LYS 76 Ca 0.35 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.24 3dku n LYS 76 Cb 1.48 -0.21 -0.03 0.00 0.00 0.00 0.00 35.03 36.28 3dku n LYS 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3dku s THR 77 N -2.15 4.01 -0.28 3.15 2.01 -1.26 -4.78 115.64 116.34 3dku s THR 77 Ca 0.00 1.35 -0.24 0.00 0.31 0.00 0.00 61.69 63.11 3dku s THR 77 Cb 0.00 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 3dku s THR 77 CO 0.00 -0.02 0.79 -2.16 -0.69 0.00 0.00 174.62 172.55 3dku s PRO 78 N 2.45 4.05 0.02 4.92 0.04 -1.26 -1.59 135.00 143.63 3dku s PRO 78 Ca 0.60 0.72 0.04 0.00 0.04 0.00 0.00 61.00 62.40 3dku s PRO 78 Cb -0.27 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.54 3dku s PRO 78 CO 0.23 -0.61 -0.10 -0.06 0.04 0.00 0.00 177.00 176.51 3dku s PHE 79 N 2.89 2.80 -0.29 0.56 0.08 0.20 -0.50 117.98 123.73 3dku s PHE 79 Ca 0.33 -0.10 0.03 0.00 0.12 0.00 0.00 56.93 57.31 3dku s PHE 79 Cb -0.15 -1.57 0.08 0.00 -0.57 0.00 0.00 43.02 40.81 3dku s PHE 79 CO 0.10 0.34 -0.05 -0.51 -0.10 0.00 0.00 175.22 175.01 3dku s LEU 80 N -1.46 3.93 -0.30 -0.37 1.02 0.74 -1.50 118.68 120.75 3dku s LEU 80 Ca 0.17 -1.69 -0.05 0.00 0.02 0.00 0.00 54.13 52.58 3dku s LEU 80 Cb -0.11 -1.57 0.03 0.00 0.02 0.00 0.00 46.19 44.56 3dku s LEU 80 CO 0.07 -0.27 0.05 -0.60 0.02 0.00 0.00 176.35 175.62 3dku s ARG 81 N 1.03 2.78 -0.31 1.70 3.52 -0.11 0.05 118.95 127.61 3dku s ARG 81 Ca -0.01 -1.05 -0.17 0.00 -0.13 0.00 0.00 55.73 54.37 3dku s ARG 81 Cb -0.20 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 3dku s ARG 81 CO -0.06 -0.53 0.48 -0.06 -0.81 0.00 0.00 175.30 174.32 3dku s PHE 82 N 1.39 3.22 -0.20 5.12 0.40 0.02 -0.74 117.98 127.19 3dku s PHE 82 Ca -0.01 0.34 -0.06 0.00 -0.60 0.00 0.00 56.93 56.61 3dku s PHE 82 Cb -0.18 -2.79 -0.03 0.00 0.51 0.00 0.00 43.02 40.52 3dku s PHE 82 CO 0.01 -0.41 0.03 -1.17 0.70 0.00 0.00 175.22 174.38 3dku s LEU 83 N 2.30 3.49 0.28 -0.37 2.96 -0.19 0.11 118.68 127.26 3dku s LEU 83 Ca 0.18 -0.10 0.11 0.00 -0.22 0.00 0.00 54.13 54.11 3dku s LEU 83 Cb -0.16 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 3dku s LEU 83 CO 0.11 0.10 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.74 3dku s PHE 84 N 0.82 2.40 -0.07 5.38 0.40 0.48 -0.57 117.98 126.82 3dku s PHE 84 Ca 0.02 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 3dku s PHE 84 Cb -0.14 -1.09 -0.02 0.00 0.51 0.00 0.00 43.02 42.28 3dku s PHE 84 CO 0.02 0.68 -0.12 0.00 0.70 0.00 0.00 175.22 176.50 3dku s ALA 85 N -2.48 2.75 -0.03 5.36 0.00 -0.17 -0.49 121.76 126.70 3dku s ALA 85 Ca 0.31 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 3dku s ALA 85 Cb -0.05 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 22.00 3dku s ALA 85 CO 0.16 0.49 0.03 0.42 0.00 0.00 0.00 175.76 176.86 3dku s ILE 86 N -0.49 0.01 -0.26 0.00 1.01 0.40 -1.90 121.20 119.97 3dku s ILE 86 Ca 0.07 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 3dku s ILE 86 Cb -0.12 -0.15 0.01 0.00 0.01 0.00 0.00 42.46 42.21 3dku s ILE 86 CO 0.02 0.12 -0.00 -1.61 0.00 0.00 0.00 174.94 173.47 3dku s GLU 87 N 1.26 3.03 -0.01 2.79 0.41 -1.26 0.01 118.70 124.93 3dku s GLU 87 Ca -0.07 -0.87 -0.02 0.00 -0.41 0.00 0.00 54.97 53.60 3dku s GLU 87 Cb -0.13 -3.14 -0.04 0.00 -1.78 0.00 0.00 34.13 29.05 3dku s GLU 87 CO -0.03 -0.38 0.15 -0.51 -0.49 0.00 0.00 175.26 174.00 3dku s LEU 88 N 1.42 4.21 0.30 1.80 1.43 -0.41 -4.97 118.68 122.45 3dku s LEU 88 Ca 0.02 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 3dku s LEU 88 Cb -0.16 -2.47 0.61 0.00 0.03 0.00 0.00 46.19 44.19 3dku s LEU 88 CO -0.02 0.27 1.84 -0.08 0.23 0.00 0.00 176.35 178.60 3dku h GLU 89 N 3.97 0.91 -4.07 1.70 4.81 -1.99 -3.40 114.58 116.51 3dku h GLU 89 Ca -0.49 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.54 3dku h GLU 89 Cb 1.19 -0.21 -0.18 0.00 0.63 0.00 0.00 28.75 30.19 3dku h GLU 89 CO 0.66 0.60 -0.66 -0.65 -0.73 0.00 0.00 179.01 178.24 3dku s GLN 90 N -5.91 0.50 0.11 1.92 -0.21 -1.26 -4.63 119.66 110.19 3dku s GLN 90 Ca -0.12 -0.92 -0.31 0.00 0.02 0.00 0.00 55.36 54.03 3dku s GLN 90 Cb 0.22 0.18 -0.09 0.00 1.00 0.00 0.00 33.01 34.33 3dku s GLN 90 CO 0.81 -0.10 1.50 0.42 -2.12 0.00 0.00 175.29 175.80 3dku s ILE 91 N -2.82 3.05 0.31 1.08 1.01 -1.26 -4.94 121.20 117.62 3dku s ILE 91 Ca -0.03 0.69 0.11 0.00 0.00 0.00 0.00 60.65 61.42 3dku s ILE 91 Cb -0.00 -3.44 -0.06 0.00 0.01 0.00 0.00 42.46 38.97 3dku s ILE 91 CO -0.06 0.04 -0.15 0.00 0.00 0.00 0.00 174.94 174.76 3dku n PRO 93 N -0.69 0.40 -3.92 0.00 -0.02 -1.26 -5.01 135.00 124.50 3dku n PRO 93 Ca -0.05 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.52 3dku n PRO 93 Cb 0.61 -2.22 -0.12 0.00 -0.02 0.00 0.00 33.50 31.76 3dku n PRO 93 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3dku s THR 94 N -1.91 0.07 -0.30 3.45 -1.32 -1.26 -4.79 115.64 109.59 3dku s THR 94 Ca 0.72 -0.59 -0.14 0.00 -1.21 0.00 0.00 61.69 60.47 3dku s THR 94 Cb -0.33 -0.24 0.16 0.00 -1.51 0.00 0.00 72.50 70.59 3dku s THR 94 CO 0.52 -0.33 0.95 -1.58 -2.21 0.00 0.00 174.62 171.97 3dku s GLN 95 N -1.00 0.32 0.54 7.08 0.74 0.12 -5.03 119.66 122.44 3dku s GLN 95 Ca -0.11 0.79 -0.21 0.00 0.05 0.00 0.00 55.36 55.88 3dku s GLN 95 Cb -0.07 0.47 -0.05 0.00 1.10 0.00 0.00 33.01 34.47 3dku s GLN 95 CO -0.00 -0.13 1.23 -2.14 -0.55 0.00 0.00 175.29 173.70 3dku s PRO 96 N 2.53 3.24 -0.43 1.67 0.02 -1.26 -2.87 135.00 137.91 3dku s PRO 96 Ca -0.02 1.90 0.05 0.00 0.02 0.00 0.00 61.00 62.95 3dku s PRO 96 Cb -0.07 -2.14 0.43 0.00 0.02 0.00 0.00 34.50 32.73 3dku s PRO 96 CO -0.17 -1.01 1.17 0.72 -0.33 0.00 0.00 177.00 177.38 3dku n HIS 97 N -1.14 3.27 -3.15 6.54 8.25 -0.42 -4.92 115.22 123.65 3dku n HIS 97 Ca 0.11 -2.91 0.05 0.00 -0.26 0.00 0.00 57.72 54.70 3dku n HIS 97 Cb 0.48 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 3dku n HIS 97 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dku s ASP 98 N -3.44 -0.86 0.54 0.41 2.15 -1.21 -4.85 116.67 109.41 3dku s ASP 98 Ca 0.49 0.43 0.23 0.00 0.43 0.00 0.00 52.55 54.13 3dku s ASP 98 Cb 0.40 1.68 1.23 0.00 -0.30 0.00 0.00 42.92 45.94 3dku s ASP 98 CO -0.15 -0.16 1.66 0.77 -0.17 0.00 0.00 175.17 177.12 3dku h SER 99 N 7.91 0.00 0.35 -0.34 4.64 -1.92 0.55 113.55 124.73 3dku h SER 99 Ca -0.15 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 3dku h SER 99 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3dku h SER 99 CO 0.04 0.00 -0.30 0.44 -0.87 0.00 0.00 176.83 176.14 3dku h ASP 100 N 0.00 0.00 -3.59 4.97 5.19 -1.97 -3.41 116.42 117.61 3dku h ASP 100 Ca 0.00 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.77 3dku h ASP 100 Cb 0.69 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.06 3dku h ASP 100 CO 0.00 0.30 0.02 -0.63 -3.12 0.00 0.00 179.24 175.81 3dku s ILE 101 N -4.27 4.98 0.05 0.35 -1.09 0.18 -4.38 121.20 117.02 3dku s ILE 101 Ca -0.03 0.50 -0.18 0.00 -2.23 0.00 0.00 60.65 58.71 3dku s ILE 101 Cb 0.14 -3.98 -0.16 0.00 -1.58 0.00 0.00 42.46 36.88 3dku s ILE 101 CO 0.70 -0.21 1.28 0.44 -1.23 0.00 0.00 174.94 175.92 3dku h ASP 102 N 8.40 0.60 -5.87 3.58 3.32 -1.31 -3.46 116.42 121.67 3dku h ASP 102 Ca -0.27 -0.59 0.36 0.00 0.02 0.00 0.00 57.03 56.55 3dku h ASP 102 Cb 1.12 -0.17 -0.09 0.00 0.22 0.00 0.00 39.33 40.41 3dku h ASP 102 CO 0.79 1.08 0.92 0.00 -1.72 0.00 0.00 179.24 180.31 3dku s ARG 105 N 2.45 1.90 0.22 0.00 1.70 -1.06 -4.84 118.95 119.32 3dku s ARG 105 Ca 0.10 -1.28 0.09 0.00 -0.47 0.00 0.00 55.73 54.17 3dku s ARG 105 Cb -0.15 -2.44 -0.04 0.00 -0.57 0.00 0.00 34.95 31.75 3dku s ARG 105 CO -0.21 -1.24 -0.06 -1.58 -1.08 0.00 0.00 175.30 171.14 3dku s TRP 106 N -2.97 2.65 -0.07 5.89 0.52 -1.26 -1.58 118.94 122.11 3dku s TRP 106 Ca 0.65 -0.22 -0.30 0.00 0.02 0.00 0.00 56.10 56.25 3dku s TRP 106 Cb -0.06 -1.23 0.11 0.00 -1.15 0.00 0.00 33.47 31.15 3dku s TRP 106 CO 0.42 0.58 0.92 0.08 0.02 0.00 0.00 176.95 178.97 3dku s VAL 107 N -2.04 0.00 0.58 4.03 1.01 -1.20 -4.93 120.40 117.86 3dku s VAL 107 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 3dku s VAL 107 Cb -0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 3dku s VAL 107 CO 0.17 0.00 0.91 -0.94 0.00 0.00 0.00 175.10 175.25 3dku s SER 108 N -1.82 5.81 0.14 3.32 1.04 -1.26 0.64 113.70 121.56 3dku s SER 108 Ca 0.01 0.91 -0.26 0.00 0.48 0.00 0.00 55.95 57.09 3dku s SER 108 Cb -0.01 -1.96 -0.02 0.00 0.10 0.00 0.00 66.02 64.13 3dku s SER 108 CO -0.03 -0.96 1.60 0.00 0.98 0.00 0.00 173.24 174.83 3dku h ALA 109 N -0.16 -0.40 -0.62 5.32 0.00 -1.95 -2.84 119.26 118.62 3dku h ALA 109 Ca -0.46 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 3dku h ALA 109 Cb 1.24 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 3dku h ALA 109 CO 0.61 -0.82 0.22 1.49 0.00 0.00 0.00 179.25 180.76 3dku h GLU 110 N -0.40 0.92 -0.20 0.00 4.57 -1.97 0.24 114.58 117.74 3dku h GLU 110 Ca 0.10 -0.16 0.06 0.00 -1.18 0.00 0.00 59.36 58.18 3dku h GLU 110 Cb 0.56 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3dku h GLU 110 CO -0.38 0.77 0.24 0.93 -1.18 0.00 0.00 179.01 179.39 3dku h GLU 111 N 0.90 0.00 0.06 1.92 5.08 -1.88 -1.50 114.58 119.14 3dku h GLU 111 Ca 0.21 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3dku h GLU 111 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.48 3dku h GLU 111 CO -0.01 0.00 -0.41 0.82 -1.00 0.00 0.00 179.01 178.41 3dku h ILE 112 N 0.00 1.61 -0.23 3.13 2.04 -0.42 -3.18 117.51 120.46 3dku h ILE 112 Ca 0.09 -2.32 -0.08 0.00 1.00 0.00 0.00 64.86 63.56 3dku h ILE 112 Cb 0.56 3.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.77 3dku h ILE 112 CO -0.00 0.63 -0.20 -0.07 0.00 0.00 0.00 178.15 178.51 3dku h LEU 113 N -0.59 0.40 -0.09 1.44 3.38 -1.09 -1.40 115.31 117.36 3dku h LEU 113 Ca -0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3dku h LEU 113 Cb 1.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3dku h LEU 113 CO 0.08 0.62 -0.09 0.00 0.09 0.00 0.00 178.44 179.14 3dku n GLN 114 N -4.17 0.41 -2.53 1.13 1.13 -0.71 -4.91 117.38 107.74 3dku n GLN 114 Ca -0.00 -0.09 -0.40 0.00 -1.94 0.00 0.00 57.00 54.56 3dku n GLN 114 Cb 0.36 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.16 3dku n GLN 114 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3dku s ALA 115 N -2.65 3.39 -0.22 -1.58 0.00 -0.53 -4.89 121.76 115.27 3dku s ALA 115 Ca 0.24 0.83 0.15 0.00 0.00 0.00 0.00 51.96 53.18 3dku s ALA 115 Cb 0.20 -3.32 0.65 0.00 0.00 0.00 0.00 23.12 20.65 3dku s ALA 115 CO 0.50 -0.12 1.58 -1.13 0.00 0.00 0.00 175.76 176.59 3dku n SER 116 N 1.57 4.50 -0.56 0.00 3.41 -1.26 -4.52 113.62 116.76 3dku n SER 116 Ca -0.00 -3.07 0.09 0.00 -0.26 0.00 0.00 58.87 55.63 3dku n SER 116 Cb 0.45 -0.62 0.03 0.00 -0.26 0.00 0.00 64.21 63.82 3dku n SER 116 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dku n ASN 117 N -0.16 2.11 -4.90 4.04 3.02 -1.26 -5.06 115.26 113.05 3dku n ASN 117 Ca 0.27 -1.55 -0.28 0.00 -0.03 0.00 0.00 54.58 52.98 3dku n ASN 117 Cb 1.06 0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 40.47 3dku n ASN 117 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dku s LEU 118 N -1.88 3.89 0.45 3.41 1.43 -1.26 -1.01 118.68 123.72 3dku s LEU 118 Ca 0.18 0.86 0.23 0.00 -1.03 0.00 0.00 54.13 54.37 3dku s LEU 118 Cb 0.15 -3.73 1.07 0.00 0.03 0.00 0.00 46.19 43.70 3dku s LEU 118 CO 0.35 -0.35 1.90 -0.09 0.23 0.00 0.00 176.35 178.39 3dku h ARG 119 N 1.15 0.00 -2.02 1.70 2.43 -0.91 -3.43 114.38 113.30 3dku h ARG 119 Ca -0.48 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.79 3dku h ARG 119 Cb 1.20 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.57 3dku h ARG 119 CO 0.64 0.22 0.50 -1.54 -1.51 0.00 0.00 179.97 178.28 3dku s SER 120 N -6.28 -0.38 0.61 -3.80 1.04 -1.26 -5.02 113.70 98.61 3dku s SER 120 Ca -0.01 0.17 0.27 0.00 0.48 0.00 0.00 55.95 56.86 3dku s SER 120 Cb 0.12 0.36 1.33 0.00 0.10 0.00 0.00 66.02 67.93 3dku s SER 120 CO 0.63 -0.52 1.75 -0.65 0.98 0.00 0.00 173.24 175.43 3dku h PRO 121 N 2.23 0.00 -0.11 4.02 0.11 -2.01 -2.48 132.00 133.76 3dku h PRO 121 Ca -0.21 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.75 3dku h PRO 121 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3dku h PRO 121 CO 0.31 0.00 -0.60 -0.07 -0.21 0.00 0.00 178.00 177.43 3dku h LEU 122 N 0.00 0.43 -0.75 2.35 4.07 -1.98 -1.83 115.31 117.60 3dku h LEU 122 Ca 0.20 -0.25 0.07 0.00 0.08 0.00 0.00 57.88 57.98 3dku h LEU 122 Cb 1.41 -0.13 -0.09 0.00 1.08 0.00 0.00 40.66 42.93 3dku h LEU 122 CO -0.00 0.93 -0.44 0.52 -1.08 0.00 0.00 178.44 178.37 3dku n VAL 123 N -3.90 -0.51 0.01 1.22 0.31 -0.93 0.13 118.33 114.65 3dku n VAL 123 Ca -0.03 2.17 -0.08 0.00 -0.01 0.00 0.00 64.34 66.38 3dku n VAL 123 Cb 0.62 -2.71 0.08 0.00 -0.91 0.00 0.00 33.84 30.92 3dku n VAL 123 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dku h ALA 124 N 0.14 0.77 -0.71 3.52 0.00 -1.71 -3.03 119.26 118.25 3dku h ALA 124 Ca 0.12 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.60 3dku h ALA 124 Cb 0.31 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3dku h ALA 124 CO -0.71 0.67 0.41 0.93 0.00 0.00 0.00 179.25 180.56 3dku h GLU 125 N 0.42 0.73 -0.83 0.00 4.39 -0.42 -1.30 114.58 117.57 3dku h GLU 125 Ca 0.02 -0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.79 3dku h GLU 125 Cb 1.02 -0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 29.43 3dku h GLU 125 CO 0.09 0.48 0.46 0.77 -1.16 0.00 0.00 179.01 179.65 3dku h SER 126 N 0.75 0.61 -0.11 1.42 0.02 0.12 0.18 113.55 116.54 3dku h SER 126 Ca 0.32 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3dku h SER 126 Cb 0.18 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 3dku h SER 126 CO -0.18 0.32 0.05 0.40 -1.14 0.00 0.00 176.83 176.28 3dku h ILE 127 N 0.72 1.12 -0.61 3.27 1.08 -1.42 0.73 117.51 122.40 3dku h ILE 127 Ca 0.42 -0.36 0.06 0.00 -0.39 0.00 0.00 64.86 64.60 3dku h ILE 127 Cb 0.48 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.36 3dku h ILE 127 CO -0.29 0.11 0.40 0.03 -0.69 0.00 0.00 178.15 177.71 3dku h ARG 128 N 0.04 0.57 -0.09 2.37 3.08 -0.01 0.44 114.38 120.78 3dku h ARG 128 Ca 0.04 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 3dku h ARG 128 Cb 0.13 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3dku h ARG 128 CO -0.00 0.38 -0.70 0.00 -1.07 0.00 0.00 179.97 178.57 3dku h TYR 130 N 0.30 0.86 -0.01 0.00 3.20 0.06 -3.12 116.97 118.25 3dku h TYR 130 Ca -0.03 -0.12 -0.14 0.00 3.14 0.00 0.00 58.73 61.58 3dku h TYR 130 Cb 1.27 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 3dku h TYR 130 CO 0.04 0.79 -0.65 1.96 -1.64 0.00 0.00 178.16 178.66 3dku h GLN 131 N 0.69 0.06 0.00 1.82 4.20 -0.89 -2.14 115.11 118.84 3dku h GLN 131 Ca 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3dku h GLN 131 Cb 0.39 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3dku h GLN 131 CO 0.01 0.69 0.26 0.66 -0.67 0.00 0.00 178.83 179.77 3dku h SER 132 N 0.04 0.00 0.00 1.46 4.64 -1.24 -3.45 113.55 115.00 3dku h SER 132 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dku h SER 132 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3dku h SER 132 CO 0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3dku n GLY 133 N -1.27 1.92 3.69 -0.77 0.00 -0.80 -5.00 105.19 102.95 3dku n GLY 133 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3dku n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dku n GLN 134 N -2.00 2.59 -3.80 1.61 10.64 -1.26 -5.00 117.38 120.16 3dku n GLN 134 Ca 0.00 0.94 -0.13 0.00 -1.83 0.00 0.00 57.00 55.98 3dku n GLN 134 Cb 0.00 -2.80 -0.14 0.00 -0.86 0.00 0.00 30.24 26.44 3dku n GLN 134 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3dku s ARG 135 N 2.48 0.07 0.12 2.61 1.81 -1.26 -4.76 118.95 120.02 3dku s ARG 135 Ca 0.82 0.20 0.05 0.00 -1.72 0.00 0.00 55.73 55.09 3dku s ARG 135 Cb -0.55 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 33.85 3dku s ARG 135 CO 0.39 -0.08 -0.12 0.71 -0.68 0.00 0.00 175.30 175.52 3dku s TYR 136 N 0.54 1.28 0.50 -0.53 2.02 0.16 -4.95 117.35 116.37 3dku s TYR 136 Ca -0.04 -0.61 -0.23 0.00 -0.37 0.00 0.00 57.07 55.81 3dku s TYR 136 Cb -0.06 -0.67 -0.06 0.00 -0.40 0.00 0.00 41.96 40.77 3dku s TYR 136 CO -0.02 0.10 1.40 -2.14 -1.57 0.00 0.00 175.55 173.31 3dku s PRO 137 N -2.88 3.40 0.29 -1.71 0.02 -1.26 0.29 135.00 133.14 3dku s PRO 137 Ca 0.09 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.45 3dku s PRO 137 Cb -0.03 -2.45 0.52 0.00 0.02 0.00 0.00 34.50 32.56 3dku s PRO 137 CO 0.02 -1.02 1.88 -0.07 -0.33 0.00 0.00 177.00 177.48 3dku h LEU 138 N 1.87 0.94 -1.95 -5.54 3.38 -1.91 -2.87 115.31 109.22 3dku h LEU 138 Ca -0.51 0.02 0.35 0.00 0.09 0.00 0.00 57.88 57.83 3dku h LEU 138 Cb 1.28 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 3dku h LEU 138 CO 0.59 0.57 0.90 1.05 0.09 0.00 0.00 178.44 181.63 3dku h GLU 139 N 1.05 0.00 0.00 1.13 4.11 -1.98 -1.71 114.58 117.18 3dku h GLU 139 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 3dku h GLU 139 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3dku h GLU 139 CO -0.19 0.00 0.00 0.00 0.07 0.00 0.00 179.01 178.89 3dku n MET 140 N -4.08 0.11 -1.04 1.06 0.00 -1.08 -1.74 117.12 110.34 3dku n MET 140 Ca 0.26 0.39 0.02 0.00 0.00 0.00 0.00 57.70 58.37 3dku n MET 140 Cb 1.29 -1.72 0.14 0.00 0.00 0.00 0.00 33.22 32.92 3dku n MET 140 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 3dku n ILE 141 N -1.93 1.65 -1.62 3.17 -5.35 -0.64 -5.11 119.36 109.53 3dku n ILE 141 Ca 0.02 -2.76 -0.30 0.00 -0.27 0.00 0.00 62.75 59.44 3dku n ILE 141 Cb 0.17 0.05 0.08 0.00 -1.74 0.00 0.00 39.64 38.20 3dku n ILE 141 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dku s GLY 142 N -2.98 1.63 0.56 3.28 0.00 -0.71 -4.86 107.32 104.23 3dku s GLY 142 Ca 0.38 -0.21 -0.15 0.00 0.00 0.00 0.00 44.72 44.74 3dku s GLY 142 CO -0.08 0.19 1.00 0.51 0.00 0.00 0.00 173.10 174.73 3dku s ASP 143 N -3.99 6.44 -0.02 1.64 -4.77 -1.26 -5.08 116.67 109.62 3dku s ASP 143 Ca 0.60 1.53 0.01 0.00 -3.30 0.00 0.00 52.55 51.39 3dku s ASP 143 Cb -0.14 -2.50 0.02 0.00 -1.09 0.00 0.00 42.92 39.22 3dku s ASP 143 CO 0.54 -0.72 -0.01 0.12 0.70 0.00 0.00 175.17 175.80 3dku s PHE 144 N -2.81 0.29 -1.63 2.11 5.36 -1.26 -4.83 117.98 115.21 3dku s PHE 144 Ca 0.58 -0.01 -0.12 0.00 -0.96 0.00 0.00 56.93 56.42 3dku s PHE 144 Cb -0.11 -0.34 0.11 0.00 -0.34 0.00 0.00 43.02 42.34 3dku s PHE 144 CO 0.39 -0.10 0.58 0.09 -1.46 0.00 0.00 175.22 174.73 3dku n ASN 145 N 3.85 -1.87 -4.68 6.13 4.13 -1.26 -4.84 115.26 116.72 3dku n ASN 145 Ca -0.24 -1.07 -0.42 0.00 1.68 0.00 0.00 54.58 54.54 3dku n ASN 145 Cb 0.52 -2.58 -0.03 0.00 -1.54 0.00 0.00 39.78 36.15 3dku n ASN 145 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 3dku s TRP 146 N -3.59 2.46 -0.85 3.10 -0.11 -1.26 -4.90 118.94 113.78 3dku s TRP 146 Ca 0.47 0.48 0.18 0.00 1.22 0.00 0.00 56.10 58.44 3dku s TRP 146 Cb -0.26 -3.83 0.74 0.00 -1.50 0.00 0.00 33.47 28.62 3dku s TRP 146 CO 0.94 -3.31 1.55 -0.35 -4.62 0.00 0.00 176.95 171.16 3dku n PRO 147 N 5.99 0.06 -4.30 5.86 -0.04 -1.26 -4.83 135.00 136.48 3dku n PRO 147 Ca 0.15 0.29 -0.28 0.00 -0.04 0.00 0.00 63.50 63.63 3dku n PRO 147 Cb 0.42 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 3dku n PRO 147 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dku s PHE 148 N -3.09 2.57 0.57 0.54 2.99 -1.26 -5.11 117.98 115.19 3dku s PHE 148 Ca 0.06 -0.24 -0.16 0.00 0.00 0.00 0.00 56.93 56.59 3dku s PHE 148 Cb 0.10 -1.30 -0.05 0.00 0.00 0.00 0.00 43.02 41.77 3dku s PHE 148 CO 0.31 0.46 1.03 0.95 -0.00 0.00 0.00 175.22 177.98 3dku s THR 149 N -1.48 4.08 0.01 0.64 -4.23 -1.26 -5.06 115.64 108.35 3dku s THR 149 Ca 0.22 0.97 0.04 0.00 -1.18 0.00 0.00 61.69 61.74 3dku s THR 149 Cb -0.09 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 3dku s THR 149 CO 0.13 -0.60 -0.12 -0.54 -0.54 0.00 0.00 174.62 172.95 3dku s LYS 150 N -4.14 0.90 -0.11 3.99 1.02 -1.26 -5.12 119.74 115.03 3dku s LYS 150 Ca 0.62 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 3dku s LYS 150 Cb -0.14 -0.88 -0.02 0.00 -0.52 0.00 0.00 37.83 36.27 3dku s LYS 150 CO 0.36 0.23 1.25 0.20 -0.92 0.00 0.00 175.35 176.47 3dku s GLY 151 N -0.68 1.85 0.00 -3.33 0.00 -1.26 -5.27 107.32 98.63 3dku s GLY 151 Ca 0.03 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.30 3dku s GLY 151 CO 0.00 2.38 0.15 -0.62 0.00 0.00 0.00 173.10 175.01