#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 3.14 -0.04 1.12 5.36 -1.26 -5.03 117.98 121.27 3dku s PHE 2 Ca 0.00 0.99 -0.02 0.00 -0.96 0.00 0.00 56.93 56.94 3dku s PHE 2 Cb 0.00 -3.75 0.03 0.00 -0.34 0.00 0.00 43.02 38.96 3dku s PHE 2 CO 0.00 -2.54 0.07 0.15 -1.46 0.00 0.00 175.22 171.44 3dku s LYS 3 N 0.28 -0.05 0.67 10.12 1.02 -1.26 -5.15 119.74 125.37 3dku s LYS 3 Ca 0.62 0.35 -0.07 0.00 0.02 0.00 0.00 55.97 56.89 3dku s LYS 3 Cb -0.40 -0.39 0.04 0.00 -0.52 0.00 0.00 37.83 36.56 3dku s LYS 3 CO 0.37 -0.28 0.99 -1.25 -0.92 0.00 0.00 175.35 174.27 3dku s PRO 4 N 1.84 2.49 -0.14 -1.68 0.04 -1.26 -5.03 135.00 131.27 3dku s PRO 4 Ca 0.00 -0.08 -0.24 0.00 0.04 0.00 0.00 61.00 60.72 3dku s PRO 4 Cb -0.12 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 3dku s PRO 4 CO -0.04 -1.06 0.78 -1.01 0.04 0.00 0.00 177.00 175.72 3dku s HIS 5 N -3.19 3.47 -0.18 0.56 3.76 0.52 -4.92 115.29 115.31 3dku s HIS 5 Ca 0.58 1.23 -0.03 0.00 -0.15 0.00 0.00 55.06 56.69 3dku s HIS 5 Cb -0.11 -2.94 -0.02 0.00 1.11 0.00 0.00 32.58 30.63 3dku s HIS 5 CO 0.46 -0.14 -0.05 0.08 -0.85 0.00 0.00 174.74 174.24 3dku s VAL 6 N 1.72 3.61 0.15 -0.90 1.01 -1.26 -0.89 120.40 123.85 3dku s VAL 6 Ca 0.37 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.97 3dku s VAL 6 Cb -0.17 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3dku s VAL 6 CO 0.14 0.46 -0.12 0.42 0.00 0.00 0.00 175.10 176.00 3dku s THR 7 N 0.82 1.35 0.16 3.92 -4.23 -0.62 -0.11 115.64 116.93 3dku s THR 7 Ca -0.01 -2.01 0.11 0.00 -1.18 0.00 0.00 61.69 58.60 3dku s THR 7 Cb -0.15 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 3dku s THR 7 CO 0.02 -0.63 -0.24 0.68 -0.54 0.00 0.00 174.62 173.91 3dku s VAL 8 N -2.94 2.38 0.07 2.29 -7.23 -0.39 -0.81 120.40 113.77 3dku s VAL 8 Ca 0.16 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 3dku s VAL 8 Cb -0.00 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 3dku s VAL 8 CO 0.03 -0.01 -0.05 0.00 -0.31 0.00 0.00 175.10 174.76 3dku s ALA 9 N -1.36 0.72 -0.13 1.32 0.00 -0.02 -1.73 121.76 120.56 3dku s ALA 9 Ca 0.18 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.95 3dku s ALA 9 Cb -0.09 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3dku s ALA 9 CO 0.08 -0.26 -0.16 0.00 0.00 0.00 0.00 175.76 175.42 3dku s VAL 11 N 1.10 4.62 -0.30 0.00 1.01 0.42 -4.06 120.40 123.19 3dku s VAL 11 Ca -0.03 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 3dku s VAL 11 Cb -0.14 -4.37 0.01 0.00 0.00 0.00 0.00 36.38 31.88 3dku s VAL 11 CO -0.04 -0.82 0.09 -0.69 0.00 0.00 0.00 175.10 173.64 3dku s VAL 12 N 3.35 4.06 -0.08 2.92 1.01 -1.26 -0.76 120.40 129.64 3dku s VAL 12 Ca 0.28 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3dku s VAL 12 Cb -0.13 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 3dku s VAL 12 CO 0.20 0.08 -0.21 -2.28 0.00 0.00 0.00 175.10 172.89 3dku s HIS 13 N 1.52 2.57 -0.17 5.22 5.04 -0.58 -1.43 115.29 127.46 3dku s HIS 13 Ca 0.03 -0.74 -0.12 0.00 -1.54 0.00 0.00 55.06 52.69 3dku s HIS 13 Cb -0.17 -1.68 0.05 0.00 0.04 0.00 0.00 32.58 30.82 3dku s HIS 13 CO 0.03 -0.23 0.42 0.00 -2.34 0.00 0.00 174.74 172.62 3dku s ALA 14 N 0.02 -1.06 -0.14 1.58 0.00 0.17 -1.15 121.76 121.19 3dku s ALA 14 Ca -0.08 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.25 3dku s ALA 14 Cb -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.14 3dku s ALA 14 CO 0.05 -0.24 0.13 -0.85 0.00 0.00 0.00 175.76 174.85 3dku n GLU 15 N 3.68 -0.34 -1.46 0.00 0.28 -1.26 0.04 120.64 121.57 3dku n GLU 15 Ca -0.19 0.20 -0.15 0.00 -0.16 0.00 0.00 57.16 56.86 3dku n GLU 15 Cb 0.56 -0.43 -0.06 0.00 1.43 0.00 0.00 31.44 32.94 3dku n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dku n GLY 16 N -0.47 1.48 3.00 -1.84 0.00 -1.26 -4.96 105.19 101.14 3dku n GLY 16 Ca -0.05 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.32 0.46 -0.09 1.61 -0.14 0.11 -4.52 119.74 113.84 3dku s LYS 17 Ca 0.00 -0.41 0.02 0.00 -1.36 0.00 0.00 55.97 54.22 3dku s LYS 17 Cb 0.00 -0.36 -0.02 0.00 -1.68 0.00 0.00 37.83 35.78 3dku s LYS 17 CO 0.00 0.09 -0.16 -0.06 -0.76 0.00 0.00 175.35 174.46 3dku s PHE 18 N -0.62 2.70 -0.12 3.18 0.08 0.18 -0.66 117.98 122.72 3dku s PHE 18 Ca -0.03 -0.48 -0.29 0.00 0.12 0.00 0.00 56.93 56.25 3dku s PHE 18 Cb -0.05 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3dku s PHE 18 CO 0.00 -0.06 1.29 -1.17 -0.10 0.00 0.00 175.22 175.18 3dku s LEU 19 N -0.15 4.22 -0.00 -0.37 2.96 -0.51 -0.44 118.68 124.39 3dku s LEU 19 Ca -0.01 1.79 0.06 0.00 -0.22 0.00 0.00 54.13 55.74 3dku s LEU 19 Cb -0.14 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 3dku s LEU 19 CO 0.03 -0.74 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.44 3dku s VAL 20 N 3.22 1.54 -0.08 1.68 1.01 0.38 -4.35 120.40 123.79 3dku s VAL 20 Ca 0.57 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 3dku s VAL 20 Cb -0.24 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3dku s VAL 20 CO 0.18 0.38 -0.05 0.68 0.00 0.00 0.00 175.10 176.30 3dku s VAL 21 N -0.52 3.89 -0.04 2.92 -7.23 -0.73 -0.94 120.40 117.75 3dku s VAL 21 Ca 0.07 -0.40 -0.08 0.00 -1.81 0.00 0.00 61.98 59.76 3dku s VAL 21 Cb -0.08 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 3dku s VAL 21 CO -0.00 0.59 0.25 -0.70 -0.31 0.00 0.00 175.10 174.93 3dku s GLU 22 N -0.74 3.59 -0.19 4.82 2.12 -0.56 -2.12 118.70 125.62 3dku s GLU 22 Ca 0.11 -0.02 -0.18 0.00 0.36 0.00 0.00 54.97 55.25 3dku s GLU 22 Cb -0.11 -3.14 0.05 0.00 0.26 0.00 0.00 34.13 31.19 3dku s GLU 22 CO 0.02 0.70 0.51 -2.00 -0.54 0.00 0.00 175.26 173.94 3dku s GLU 23 N -1.41 0.59 -0.31 4.30 2.12 -0.38 -1.18 118.70 122.43 3dku s GLU 23 Ca 0.23 0.71 -0.18 0.00 0.36 0.00 0.00 54.97 56.08 3dku s GLU 23 Cb -0.13 0.29 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 3dku s GLU 23 CO 0.12 -0.07 0.51 0.99 -0.54 0.00 0.00 175.26 176.27 3dku s THR 24 N 0.28 5.04 0.00 -1.70 2.01 -1.25 0.16 115.64 120.17 3dku s THR 24 Ca -0.00 0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.61 3dku s THR 24 Cb -0.04 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.58 3dku s THR 24 CO 0.01 -0.07 0.00 0.00 -0.69 0.00 0.00 174.62 173.87 3dku n ILE 25 N 5.31 0.00 -3.40 1.82 3.06 -0.59 -4.83 119.36 120.72 3dku n ILE 25 Ca -0.04 0.43 -0.18 0.00 -2.50 0.00 0.00 62.75 60.46 3dku n ILE 25 Cb 0.49 -1.32 -0.10 0.00 0.54 0.00 0.00 39.64 39.26 3dku n ILE 25 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3dku s ASN 26 N -2.84 1.76 0.00 9.51 6.03 -1.26 -4.90 114.94 123.25 3dku s ASN 26 Ca 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 52.86 50.81 3dku s ASN 26 Cb 0.00 0.42 0.00 0.00 -3.03 0.00 0.00 41.25 38.64 3dku s ASN 26 CO 0.00 -0.36 0.00 0.61 -2.03 0.00 0.00 177.10 175.32 3dku n GLY 27 N 5.04 1.89 2.98 0.45 0.00 -1.26 -5.03 105.19 109.26 3dku n GLY 27 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3dku n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dku s LYS 28 N -0.32 1.29 -0.42 1.61 1.02 -1.26 -5.09 119.74 116.57 3dku s LYS 28 Ca 0.00 -0.30 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 3dku s LYS 28 Cb 0.00 -1.13 0.00 0.00 -0.52 0.00 0.00 37.83 36.18 3dku s LYS 28 CO 0.00 0.01 1.49 0.00 -0.92 0.00 0.00 175.35 175.93 3dku s ALA 29 N 0.66 2.96 0.18 5.17 0.00 -1.26 -1.55 121.76 127.92 3dku s ALA 29 Ca -0.12 -0.15 0.10 0.00 0.00 0.00 0.00 51.96 51.79 3dku s ALA 29 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 23.12 18.95 3dku s ALA 29 CO 0.02 -2.54 -0.18 -0.51 0.00 0.00 0.00 175.76 172.55 3dku s LEU 30 N 5.87 2.66 -0.06 0.00 1.02 0.41 -4.88 118.68 123.71 3dku s LEU 30 Ca 0.64 -0.74 -0.02 0.00 0.02 0.00 0.00 54.13 54.03 3dku s LEU 30 Cb -0.15 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.64 3dku s LEU 30 CO 0.32 0.12 0.06 0.26 0.02 0.00 0.00 176.35 177.12 3dku s TRP 31 N -1.66 3.29 0.08 0.29 0.51 0.14 -1.25 118.94 120.34 3dku s TRP 31 Ca 0.22 0.26 -0.02 0.00 -2.12 0.00 0.00 56.10 54.44 3dku s TRP 31 Cb -0.08 -1.79 -0.04 0.00 -0.81 0.00 0.00 33.47 30.75 3dku s TRP 31 CO 0.12 0.55 0.02 1.21 -0.51 0.00 0.00 176.95 178.35 3dku s ASN 32 N -1.26 0.39 0.71 2.95 2.47 -0.90 -0.16 114.94 119.14 3dku s ASN 32 Ca 0.17 -1.02 -0.16 0.00 0.42 0.00 0.00 52.86 52.28 3dku s ASN 32 Cb -0.12 0.25 0.03 0.00 -1.45 0.00 0.00 41.25 39.96 3dku s ASN 32 CO 0.07 -0.66 1.21 -1.10 -3.72 0.00 0.00 177.10 172.91 3dku s GLN 33 N -3.95 2.28 -0.64 0.43 1.11 -1.26 -1.78 119.66 115.85 3dku s GLN 33 Ca 0.12 1.78 -0.27 0.00 0.01 0.00 0.00 55.36 57.00 3dku s GLN 33 Cb 0.07 -1.85 -0.12 0.00 -1.01 0.00 0.00 33.01 30.11 3dku s GLN 33 CO -0.07 -1.73 2.49 -2.30 0.01 0.00 0.00 175.29 173.69 3dku n PRO 34 N -2.52 0.73 -4.32 2.91 -0.02 -1.26 -4.77 135.00 125.76 3dku n PRO 34 Ca 0.14 -0.05 -0.19 0.00 -2.02 0.00 0.00 63.50 61.38 3dku n PRO 34 Cb 0.50 -2.92 -0.09 0.00 -0.02 0.00 0.00 33.50 30.97 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 11.36 1.96 0.00 3.55 0.00 -1.26 -2.34 121.76 135.04 3dku s ALA 35 Ca 1.08 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3dku s ALA 35 Cb -0.46 1.26 0.00 0.00 0.00 0.00 0.00 23.12 23.92 3dku s ALA 35 CO 0.32 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3dku n GLY 36 N -0.61 -1.69 3.75 0.00 0.00 -0.71 -4.91 105.19 101.04 3dku n GLY 36 Ca 0.03 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.24 3.65 0.29 1.61 3.76 -1.26 -1.27 115.29 119.83 3dku s HIS 37 Ca 0.00 1.73 -0.29 0.00 -0.15 0.00 0.00 55.06 56.34 3dku s HIS 37 Cb 0.00 -3.23 -0.10 0.00 1.11 0.00 0.00 32.58 30.36 3dku s HIS 37 CO 0.00 -0.39 1.14 -1.17 -0.85 0.00 0.00 174.74 173.47 3dku s LEU 38 N -1.29 4.53 0.41 0.89 2.96 0.84 -4.86 118.68 122.16 3dku s LEU 38 Ca 0.44 2.34 0.08 0.00 -0.22 0.00 0.00 54.13 56.77 3dku s LEU 38 Cb -0.31 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.72 3dku s LEU 38 CO 0.39 -0.21 0.32 -1.61 -1.32 0.00 0.00 176.35 173.92 3dku s GLU 39 N -1.48 2.46 0.36 1.98 2.02 -1.26 -4.91 118.70 117.86 3dku s GLU 39 Ca 0.45 -1.61 -0.28 0.00 0.02 0.00 0.00 54.97 53.55 3dku s GLU 39 Cb -0.33 -2.28 -0.11 0.00 0.10 0.00 0.00 34.13 31.51 3dku s GLU 39 CO 0.43 -0.16 1.46 0.00 0.02 0.00 0.00 175.26 177.00 3dku n ALA 40 N -1.46 2.13 -1.79 5.21 0.00 -1.26 -3.17 120.51 120.16 3dku n ALA 40 Ca 0.02 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 3dku n ALA 40 Cb 0.62 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 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 0.75 -4.45 -4.25 0.00 10.43 -1.26 -4.96 116.55 112.81 3dku n ASP 41 Ca 0.03 0.18 -0.25 0.00 2.57 0.00 0.00 54.79 57.32 3dku n ASP 41 Cb 0.38 -3.37 -0.14 0.00 1.84 0.00 0.00 41.12 39.83 3dku n ASP 41 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3dku s GLU 42 N -3.86 1.31 0.49 -1.24 2.12 -1.19 -5.01 118.70 111.32 3dku s GLU 42 Ca 0.00 -0.97 -0.18 0.00 0.36 0.00 0.00 54.97 54.18 3dku s GLU 42 Cb 0.00 -1.45 -0.09 0.00 0.26 0.00 0.00 34.13 32.85 3dku s GLU 42 CO 0.00 0.36 0.98 0.99 -0.54 0.00 0.00 175.26 177.06 3dku s THR 43 N -0.87 4.39 0.12 -1.70 2.01 -1.26 -4.85 115.64 113.47 3dku s THR 43 Ca 0.07 1.28 -0.28 0.00 0.31 0.00 0.00 61.69 63.07 3dku s THR 43 Cb -0.09 -3.64 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 3dku s THR 43 CO 0.02 -0.52 1.61 -0.07 -0.69 0.00 0.00 174.62 174.97 3dku h LEU 44 N 1.27 -1.03 -1.20 4.42 3.38 -1.98 0.22 115.31 120.39 3dku h LEU 44 Ca -0.48 0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.68 3dku h LEU 44 Cb 1.19 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 42.29 3dku h LEU 44 CO 0.61 -0.42 0.56 -0.37 0.09 0.00 0.00 178.44 178.91 3dku h VAL 45 N -0.53 1.08 -0.74 1.22 -1.51 -1.94 0.24 116.25 114.07 3dku h VAL 45 Ca 0.05 -0.34 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 3dku h VAL 45 Cb 0.60 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.72 3dku h VAL 45 CO -0.25 0.18 0.42 -0.33 -1.23 0.00 0.00 177.57 176.36 3dku h GLU 46 N 0.99 1.01 -0.09 5.19 5.08 -1.82 -0.39 114.58 124.55 3dku h GLU 46 Ca 0.36 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 3dku h GLU 46 Cb 0.17 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3dku h GLU 46 CO -0.13 0.73 -0.11 0.00 -1.00 0.00 0.00 179.01 178.51 3dku h ALA 47 N 1.44 -0.04 -0.60 3.43 0.00 0.27 -1.28 119.26 122.48 3dku h ALA 47 Ca 0.26 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3dku h ALA 47 Cb 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3dku h ALA 47 CO -0.05 -0.57 0.23 0.00 0.00 0.00 0.00 179.25 178.86 3dku h ALA 48 N 0.91 0.78 -0.62 0.00 0.00 -0.45 0.16 119.26 120.05 3dku h ALA 48 Ca 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3dku h ALA 48 Cb 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3dku h ALA 48 CO -0.17 0.40 0.36 0.00 0.00 0.00 0.00 179.25 179.84 3dku h ALA 49 N 1.08 0.79 0.22 0.00 0.00 -1.01 -1.15 119.26 119.19 3dku h ALA 49 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dku h ALA 49 Cb 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dku h ALA 49 CO -0.01 0.28 -0.11 -0.09 0.00 0.00 0.00 179.25 179.32 3dku h ARG 50 N 0.83 -0.29 -0.63 0.00 2.43 -0.41 -1.57 114.38 114.74 3dku h ARG 50 Ca 0.22 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 3dku h ARG 50 Cb 0.00 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 3dku h ARG 50 CO -0.04 -0.07 0.33 0.93 -1.51 0.00 0.00 179.97 179.62 3dku h GLU 51 N -0.47 0.60 -0.32 0.20 4.39 -0.52 0.82 114.58 119.28 3dku h GLU 51 Ca -0.03 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.70 3dku h GLU 51 Cb 0.36 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 3dku h GLU 51 CO 0.05 0.40 -0.07 1.25 -1.16 0.00 0.00 179.01 179.47 3dku h LEU 52 N 0.62 -0.28 0.63 1.33 6.46 -1.09 -0.45 115.31 122.53 3dku h LEU 52 Ca 0.28 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 58.12 3dku h LEU 52 Cb 0.20 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 3dku h LEU 52 CO -0.19 -0.10 -0.42 -0.25 -0.62 0.00 0.00 178.44 176.86 3dku h TRP 53 N 0.01 -1.11 -0.95 1.25 7.01 -0.17 -1.67 115.95 120.32 3dku h TRP 53 Ca 0.15 -0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.32 3dku h TRP 53 Cb 0.23 0.40 -0.08 0.00 -2.10 0.00 0.00 29.16 27.61 3dku h TRP 53 CO -0.30 -0.62 0.60 0.93 -2.79 0.00 0.00 178.44 176.27 3dku h GLU 54 N -1.00 0.65 -0.00 2.65 5.08 -0.55 0.33 114.58 121.74 3dku h GLU 54 Ca -0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3dku h GLU 54 Cb 0.82 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3dku h GLU 54 CO 0.06 0.43 -0.64 0.39 -1.00 0.00 0.00 179.01 178.24 3dku n GLU 55 N -4.62 0.23 0.00 2.33 1.02 -0.21 -0.80 120.64 118.60 3dku n GLU 55 Ca 0.20 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3dku n GLU 55 Cb 0.56 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.24 0.00 -0.23 2.62 -2.24 -0.63 -4.35 114.28 108.20 3dku n THR 56 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3dku n THR 56 Cb 0.35 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.00 0.00 3.74 3.38 0.00 0.11 -2.47 105.19 109.96 3dku n GLY 57 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3dku n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dku s ILE 58 N -0.62 3.70 -0.39 -0.61 1.01 -1.26 -4.86 121.20 118.18 3dku s ILE 58 Ca 0.00 1.52 0.04 0.00 0.00 0.00 0.00 60.65 62.21 3dku s ILE 58 Cb 0.00 -3.97 0.11 0.00 0.01 0.00 0.00 42.46 38.61 3dku s ILE 58 CO 0.00 0.29 0.11 -0.55 0.00 0.00 0.00 174.94 174.79 3dku s SER 59 N -0.28 4.55 -0.07 3.58 0.15 -1.26 -3.12 113.70 117.25 3dku s SER 59 Ca 0.49 -2.34 -0.16 0.00 0.70 0.00 0.00 55.95 54.64 3dku s SER 59 Cb -0.31 -1.54 0.03 0.00 -1.71 0.00 0.00 66.02 62.49 3dku s SER 59 CO 0.37 -0.34 0.37 0.00 1.20 0.00 0.00 173.24 174.84 3dku s ALA 60 N 0.65 -0.93 0.27 5.45 0.00 -1.26 -5.12 121.76 120.82 3dku s ALA 60 Ca 0.13 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 3dku s ALA 60 Cb -0.21 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 3dku s ALA 60 CO -0.07 -0.24 0.82 -1.14 0.00 0.00 0.00 175.76 175.13 3dku s GLN 61 N -0.70 4.38 0.55 0.00 2.00 -1.26 -4.69 119.66 119.93 3dku s GLN 61 Ca -0.08 1.05 -0.21 0.00 -2.00 0.00 0.00 55.36 54.13 3dku s GLN 61 Cb -0.04 -2.81 -0.05 0.00 0.80 0.00 0.00 33.01 30.92 3dku s GLN 61 CO 0.03 0.33 1.28 -1.25 -0.50 0.00 0.00 175.29 175.18 3dku s PRO 62 N -2.08 3.15 -0.23 1.67 0.04 -1.26 -4.89 135.00 131.40 3dku s PRO 62 Ca 0.47 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.46 3dku s PRO 62 Cb -0.17 -2.17 -0.11 0.00 0.04 0.00 0.00 34.50 32.09 3dku s PRO 62 CO 0.22 -1.12 -0.28 1.04 0.04 0.00 0.00 177.00 176.89 3dku n GLN 63 N -1.15 0.51 -3.93 4.56 6.02 -0.60 -5.03 117.38 117.76 3dku n GLN 63 Ca 0.11 0.20 -0.10 0.00 -0.01 0.00 0.00 57.00 57.20 3dku n GLN 63 Cb 0.47 -1.36 -0.11 0.00 1.02 0.00 0.00 30.24 30.26 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 -2.43 0.15 0.17 1.08 3.76 -1.02 -4.57 115.29 112.42 3dku s HIS 64 Ca -0.32 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 53.98 3dku s HIS 64 Cb 0.12 -0.12 -0.07 0.00 1.11 0.00 0.00 32.58 33.62 3dku s HIS 64 CO 0.43 -0.17 1.02 0.12 -0.85 0.00 0.00 174.74 175.30 3dku s PHE 65 N -1.10 3.74 -0.22 1.40 5.36 -0.69 -0.55 117.98 125.92 3dku s PHE 65 Ca -0.12 1.73 -0.02 0.00 -0.96 0.00 0.00 56.93 57.56 3dku s PHE 65 Cb -0.07 -3.15 -0.13 0.00 -0.34 0.00 0.00 43.02 39.33 3dku s PHE 65 CO -0.00 -0.14 -0.22 -0.89 -1.46 0.00 0.00 175.22 172.51 3dku n ILE 66 N 2.35 1.27 0.00 3.12 5.41 -0.72 -0.82 119.36 129.96 3dku n ILE 66 Ca 0.02 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.32 3dku n ILE 66 Cb 0.47 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 3dku n ILE 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3dku n ARG 67 N -3.38 0.00 -4.78 0.38 0.63 -1.19 -4.85 116.66 103.47 3dku n ARG 67 Ca -0.41 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.28 3dku n ARG 67 Cb 0.89 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.65 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 1.33 -0.18 -0.14 -2.45 -1.26 0.17 119.30 114.78 3dku s MET 68 Ca 0.00 -0.59 -0.02 0.00 -1.25 0.00 0.00 55.69 53.83 3dku s MET 68 Cb 0.00 -1.29 -0.01 0.00 1.25 0.00 0.00 34.83 34.78 3dku s MET 68 CO 0.00 0.35 -0.08 -1.01 1.05 0.00 0.00 175.02 175.33 3dku s HIS 69 N -0.39 2.91 -0.29 4.11 3.76 0.26 -4.94 115.29 120.70 3dku s HIS 69 Ca 0.06 -0.78 -0.13 0.00 -0.15 0.00 0.00 55.06 54.05 3dku s HIS 69 Cb -0.06 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 3dku s HIS 69 CO -0.01 -0.37 0.30 -1.14 -0.85 0.00 0.00 174.74 172.67 3dku s GLN 70 N 0.93 3.87 0.05 1.40 0.74 -1.26 -0.62 119.66 124.77 3dku s GLN 70 Ca -0.01 -0.22 -0.19 0.00 0.05 0.00 0.00 55.36 54.99 3dku s GLN 70 Cb -0.15 -3.70 0.04 0.00 1.10 0.00 0.00 33.01 30.31 3dku s GLN 70 CO 0.00 -0.30 0.43 1.67 -0.55 0.00 0.00 175.29 176.54 3dku s TRP 71 N 1.93 -0.29 -0.24 1.67 1.48 -0.88 -5.02 118.94 117.58 3dku s TRP 71 Ca 0.11 0.23 -0.11 0.00 -1.06 0.00 0.00 56.10 55.28 3dku s TRP 71 Cb -0.16 0.24 -0.05 0.00 -1.16 0.00 0.00 33.47 32.34 3dku s TRP 71 CO 0.11 -0.59 0.17 0.96 -4.06 0.00 0.00 176.95 173.53 3dku s ILE 72 N -2.59 5.35 0.91 0.66 -5.25 -1.26 -1.12 121.20 117.90 3dku s ILE 72 Ca -0.05 0.18 -0.11 0.00 -0.99 0.00 0.00 60.65 59.69 3dku s ILE 72 Cb -0.01 -3.51 0.14 0.00 2.95 0.00 0.00 42.46 42.04 3dku s ILE 72 CO -0.03 0.33 1.10 0.00 -1.79 0.00 0.00 174.94 174.55 3dku s ALA 73 N 1.15 1.40 -1.19 2.27 0.00 0.34 -4.89 121.76 120.85 3dku s ALA 73 Ca 0.08 0.26 0.18 0.00 0.00 0.00 0.00 51.96 52.48 3dku s ALA 73 Cb -0.14 -3.32 0.84 0.00 0.00 0.00 0.00 23.12 20.50 3dku s ALA 73 CO 0.05 -2.58 1.57 -0.35 0.00 0.00 0.00 175.76 174.45 3dku n PRO 74 N -4.08 0.12 0.00 0.00 -0.04 -1.26 -0.88 135.00 128.86 3dku n PRO 74 Ca 0.09 0.16 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 3dku n PRO 74 Cb 0.53 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 33.06 3dku n PRO 74 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dku n ASP 75 N -1.40 0.00 -0.36 3.54 5.68 -1.26 -4.89 116.55 117.85 3dku n ASP 75 Ca 0.06 -1.23 -0.05 0.00 -0.50 0.00 0.00 54.79 53.08 3dku n ASP 75 Cb 0.18 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.14 3dku n ASP 75 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3dku n LYS 76 N -0.83 -0.42 -2.87 0.11 4.76 -0.06 -5.05 118.16 113.79 3dku n LYS 76 Ca 0.14 0.60 -0.41 0.00 -2.87 0.00 0.00 58.31 55.77 3dku n LYS 76 Cb 0.07 -4.28 -0.04 0.00 -1.84 0.00 0.00 35.03 28.93 3dku n LYS 76 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3dku s THR 77 N -2.13 4.90 -0.28 -0.18 2.01 -1.24 -4.80 115.64 113.92 3dku s THR 77 Ca 0.00 1.70 -0.29 0.00 0.31 0.00 0.00 61.69 63.41 3dku s THR 77 Cb 0.00 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.36 3dku s THR 77 CO 0.00 0.09 1.08 -2.16 -0.69 0.00 0.00 174.62 172.94 3dku s PRO 78 N 1.71 4.13 0.09 4.92 0.04 -1.26 -0.50 135.00 144.13 3dku s PRO 78 Ca 0.41 1.20 0.10 0.00 0.04 0.00 0.00 61.00 62.76 3dku s PRO 78 Cb -0.18 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 3dku s PRO 78 CO 0.16 -0.81 -0.26 -0.06 0.04 0.00 0.00 177.00 176.07 3dku s PHE 79 N 3.53 2.33 -0.27 0.56 0.08 -0.28 0.20 117.98 124.13 3dku s PHE 79 Ca 0.46 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 3dku s PHE 79 Cb -0.14 -1.32 0.03 0.00 -0.57 0.00 0.00 43.02 41.03 3dku s PHE 79 CO 0.12 0.25 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.95 3dku s LEU 80 N -1.72 3.44 -0.25 -0.37 1.02 -0.06 -2.08 118.68 118.66 3dku s LEU 80 Ca 0.13 -0.97 -0.01 0.00 0.02 0.00 0.00 54.13 53.30 3dku s LEU 80 Cb -0.10 -1.69 0.03 0.00 0.02 0.00 0.00 46.19 44.45 3dku s LEU 80 CO 0.05 -0.17 -0.07 -0.60 0.02 0.00 0.00 176.35 175.58 3dku s ARG 81 N 1.32 2.77 -0.24 1.70 3.52 0.21 -1.59 118.95 126.64 3dku s ARG 81 Ca -0.01 -1.01 -0.10 0.00 -0.13 0.00 0.00 55.73 54.47 3dku s ARG 81 Cb -0.18 -2.96 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 3dku s ARG 81 CO -0.03 -0.41 0.14 -0.06 -0.81 0.00 0.00 175.30 174.13 3dku s PHE 82 N 1.30 3.27 -0.19 5.12 0.40 0.01 -0.58 117.98 127.31 3dku s PHE 82 Ca -0.01 0.12 -0.05 0.00 -0.60 0.00 0.00 56.93 56.40 3dku s PHE 82 Cb -0.17 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.08 3dku s PHE 82 CO -0.05 -0.00 -0.01 -1.17 0.70 0.00 0.00 175.22 174.69 3dku s LEU 83 N 1.14 3.27 0.39 -0.37 2.96 0.13 -0.84 118.68 125.35 3dku s LEU 83 Ca 0.07 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 3dku s LEU 83 Cb -0.14 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3dku s LEU 83 CO 0.05 0.08 0.20 -0.36 -1.32 0.00 0.00 176.35 175.00 3dku s PHE 84 N 0.89 2.65 -0.07 5.38 0.40 0.06 -1.76 117.98 125.53 3dku s PHE 84 Ca 0.01 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 3dku s PHE 84 Cb -0.14 -1.88 0.01 0.00 0.51 0.00 0.00 43.02 41.51 3dku s PHE 84 CO 0.02 0.19 -0.17 0.00 0.70 0.00 0.00 175.22 175.96 3dku s ALA 85 N -2.52 1.62 -0.21 5.36 0.00 0.29 -0.44 121.76 125.86 3dku s ALA 85 Ca 0.41 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 3dku s ALA 85 Cb 0.01 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.55 3dku s ALA 85 CO 0.23 0.21 -0.02 0.42 0.00 0.00 0.00 175.76 176.61 3dku s ILE 86 N 0.42 1.06 0.02 0.00 1.01 0.06 -1.56 121.20 122.22 3dku s ILE 86 Ca -0.14 -0.88 -0.21 0.00 0.00 0.00 0.00 60.65 59.43 3dku s ILE 86 Cb -0.16 -1.42 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 3dku s ILE 86 CO 0.05 -0.12 0.62 -1.61 0.00 0.00 0.00 174.94 173.88 3dku s GLU 87 N 1.62 4.33 0.01 2.79 0.41 -1.26 -1.53 118.70 125.06 3dku s GLU 87 Ca -0.03 0.79 0.07 0.00 -0.41 0.00 0.00 54.97 55.39 3dku s GLU 87 Cb -0.18 -3.32 -0.02 0.00 -1.78 0.00 0.00 34.13 28.83 3dku s GLU 87 CO -0.07 0.41 -0.22 -0.51 -0.49 0.00 0.00 175.26 174.38 3dku s LEU 88 N -0.38 2.10 0.39 1.80 1.43 -0.30 -4.94 118.68 118.79 3dku s LEU 88 Ca 0.32 -0.46 0.28 0.00 -1.03 0.00 0.00 54.13 53.24 3dku s LEU 88 Cb -0.19 -1.09 1.32 0.00 0.03 0.00 0.00 46.19 46.25 3dku s LEU 88 CO 0.19 0.23 1.85 -0.33 0.23 0.00 0.00 176.35 178.52 3dku h GLU 89 N 5.25 0.00 -1.76 1.70 5.08 -1.99 -3.41 114.58 119.46 3dku h GLU 89 Ca -0.42 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.96 3dku h GLU 89 Cb 1.14 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.18 3dku h GLU 89 CO 0.46 0.00 0.38 1.14 -1.00 0.00 0.00 179.01 179.99 3dku s GLN 90 N -3.57 0.81 0.45 2.33 -2.07 -1.26 -4.80 119.66 111.55 3dku s GLN 90 Ca 0.01 0.20 -0.22 0.00 -1.82 0.00 0.00 55.36 53.52 3dku s GLN 90 Cb 0.09 0.38 -0.11 0.00 -1.09 0.00 0.00 33.01 32.28 3dku s GLN 90 CO 0.38 -0.25 0.76 -0.89 -1.32 0.00 0.00 175.29 173.97 3dku n ILE 91 N 0.82 2.26 -4.18 3.63 5.41 -1.26 -4.96 119.36 121.08 3dku n ILE 91 Ca -0.14 -0.50 -0.11 0.00 1.00 0.00 0.00 62.75 63.00 3dku n ILE 91 Cb 0.57 -0.84 -0.10 0.00 -0.71 0.00 0.00 39.64 38.56 3dku n ILE 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dku n PRO 93 N -0.07 -0.36 -4.02 0.00 -0.02 -1.26 -5.03 135.00 124.24 3dku n PRO 93 Ca -0.11 -0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.20 3dku n PRO 93 Cb 0.61 -2.08 -0.12 0.00 -0.02 0.00 0.00 33.50 31.89 3dku n PRO 93 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3dku s THR 94 N -2.49 0.28 -0.27 3.45 -4.23 -1.26 -4.75 115.64 106.36 3dku s THR 94 Ca 0.61 -0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 60.40 3dku s THR 94 Cb -0.22 -0.34 0.15 0.00 1.34 0.00 0.00 72.50 73.43 3dku s THR 94 CO 0.63 -0.27 0.51 -1.58 -0.54 0.00 0.00 174.62 173.38 3dku s GLN 95 N -1.02 0.47 0.63 3.99 0.74 -1.03 -4.96 119.66 118.49 3dku s GLN 95 Ca -0.08 0.91 -0.15 0.00 0.05 0.00 0.00 55.36 56.10 3dku s GLN 95 Cb -0.07 0.23 -0.02 0.00 1.10 0.00 0.00 33.01 34.26 3dku s GLN 95 CO -0.00 -0.53 1.07 -2.14 -0.55 0.00 0.00 175.29 173.14 3dku s PRO 96 N 2.73 3.08 0.00 1.67 0.02 -1.26 -1.82 135.00 139.42 3dku s PRO 96 Ca 0.12 1.22 0.04 0.00 0.02 0.00 0.00 61.00 62.41 3dku s PRO 96 Cb -0.14 -2.00 0.09 0.00 0.02 0.00 0.00 34.50 32.46 3dku s PRO 96 CO -0.18 -1.00 0.93 0.72 -0.33 0.00 0.00 177.00 177.13 3dku n HIS 97 N -2.34 0.11 -4.02 6.54 8.25 0.02 -4.85 115.22 118.94 3dku n HIS 97 Ca 0.09 -0.32 -0.31 0.00 -0.26 0.00 0.00 57.72 56.92 3dku n HIS 97 Cb 0.53 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.76 4.28 0.59 0.41 2.15 -0.61 -4.98 116.67 117.74 3dku s ASP 98 Ca 0.07 -1.38 0.22 0.00 0.43 0.00 0.00 52.55 51.89 3dku s ASP 98 Cb 0.04 -1.43 1.20 0.00 -0.30 0.00 0.00 42.92 42.44 3dku s ASP 98 CO 0.06 -0.22 1.65 0.28 -0.17 0.00 0.00 175.17 176.77 3dku h SER 99 N 7.82 0.00 -0.09 -0.34 0.02 -1.91 0.56 113.55 119.62 3dku h SER 99 Ca -0.18 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3dku h SER 99 Cb 1.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 3dku h SER 99 CO 0.45 0.00 0.13 0.44 -1.14 0.00 0.00 176.83 176.71 3dku h ASP 100 N 0.00 0.00 -3.56 3.07 3.45 -1.97 -3.42 116.42 113.98 3dku h ASP 100 Ca 0.00 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.83 3dku h ASP 100 Cb 0.83 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 39.43 3dku h ASP 100 CO 0.00 0.00 -0.55 -0.63 -1.57 0.00 0.00 179.24 176.49 3dku s ILE 101 N -4.49 4.92 -0.13 0.35 -1.09 0.19 -4.43 121.20 116.51 3dku s ILE 101 Ca -0.05 0.03 -0.26 0.00 -2.23 0.00 0.00 60.65 58.14 3dku s ILE 101 Cb 0.14 -3.28 -0.26 0.00 -1.58 0.00 0.00 42.46 37.48 3dku s ILE 101 CO 0.50 0.36 0.68 0.44 -1.23 0.00 0.00 174.94 175.69 3dku h ASP 102 N 7.59 0.10 -5.05 3.58 3.32 -1.41 -3.47 116.42 121.07 3dku h ASP 102 Ca -0.37 -0.90 0.04 0.00 0.02 0.00 0.00 57.03 55.82 3dku h ASP 102 Cb 1.17 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 3dku h ASP 102 CO 0.63 1.19 0.17 0.00 -1.72 0.00 0.00 179.24 179.51 3dku s ARG 105 N -2.13 0.13 -0.20 0.00 1.70 -0.11 -4.99 118.95 113.35 3dku s ARG 105 Ca 0.19 -0.16 -0.16 0.00 -0.47 0.00 0.00 55.73 55.13 3dku s ARG 105 Cb -0.11 0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.29 3dku s ARG 105 CO 0.11 -0.02 0.40 -1.58 -1.08 0.00 0.00 175.30 173.12 3dku s TRP 106 N -0.45 3.37 0.06 5.89 0.52 -1.26 -0.47 118.94 126.60 3dku s TRP 106 Ca -0.05 0.62 -0.00 0.00 0.02 0.00 0.00 56.10 56.69 3dku s TRP 106 Cb -0.03 -2.52 -0.04 0.00 -1.15 0.00 0.00 33.47 29.73 3dku s TRP 106 CO -0.00 -0.01 -0.04 0.54 0.02 0.00 0.00 176.95 177.46 3dku s VAL 107 N 1.30 0.32 0.83 4.03 0.11 0.42 -4.86 120.40 122.55 3dku s VAL 107 Ca 0.19 -1.66 -0.12 0.00 -2.93 0.00 0.00 61.98 57.46 3dku s VAL 107 Cb -0.15 -1.31 0.09 0.00 -1.53 0.00 0.00 36.38 33.48 3dku s VAL 107 CO 0.08 -0.86 1.10 -0.94 -3.33 0.00 0.00 175.10 171.15 3dku s SER 108 N -2.65 4.19 0.08 3.54 1.04 -1.26 0.52 113.70 119.16 3dku s SER 108 Ca 0.04 1.31 -0.22 0.00 0.48 0.00 0.00 55.95 57.55 3dku s SER 108 Cb 0.04 -2.01 -0.13 0.00 0.10 0.00 0.00 66.02 64.01 3dku s SER 108 CO -0.07 -2.16 1.66 0.00 0.98 0.00 0.00 173.24 173.65 3dku h ALA 109 N -1.22 0.10 -0.79 5.32 0.00 -1.97 -2.64 119.26 118.06 3dku h ALA 109 Ca -0.48 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.47 3dku h ALA 109 Cb 1.28 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3dku h ALA 109 CO 0.59 -0.35 0.44 1.05 0.00 0.00 0.00 179.25 180.97 3dku h GLU 110 N 0.01 0.72 -0.26 0.00 9.09 -1.97 0.20 114.58 122.37 3dku h GLU 110 Ca 0.03 -0.04 0.03 0.00 0.05 0.00 0.00 59.36 59.42 3dku h GLU 110 Cb 0.10 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 27.02 3dku h GLU 110 CO -0.00 0.48 0.17 0.93 0.05 0.00 0.00 179.01 180.64 3dku h GLU 111 N 0.74 0.22 0.14 1.06 4.39 -1.85 0.15 114.58 119.44 3dku h GLU 111 Ca 0.38 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.80 3dku h GLU 111 Cb 0.36 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3dku h GLU 111 CO -0.25 0.15 -1.32 0.82 -1.16 0.00 0.00 179.01 177.25 3dku h ILE 112 N 0.23 1.15 -0.42 3.13 2.04 -1.07 -3.07 117.51 119.50 3dku h ILE 112 Ca 0.11 -2.47 0.03 0.00 1.00 0.00 0.00 64.86 63.53 3dku h ILE 112 Cb 0.14 2.86 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 3dku h ILE 112 CO -0.02 0.73 0.21 -0.07 0.00 0.00 0.00 178.15 179.01 3dku h LEU 113 N -0.23 0.31 -0.73 1.44 4.07 -0.31 -2.96 115.31 116.89 3dku h LEU 113 Ca -0.27 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.64 3dku h LEU 113 Cb 1.81 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.50 3dku h LEU 113 CO 0.11 0.23 -0.33 1.56 -1.08 0.00 0.00 178.44 178.93 3dku h GLN 114 N 0.43 0.00 -7.06 1.13 1.08 -0.85 -3.48 115.11 106.36 3dku h GLN 114 Ca 0.18 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.83 3dku h GLN 114 Cb 0.08 0.00 0.18 0.00 -0.05 0.00 0.00 27.48 27.69 3dku h GLN 114 CO -0.12 0.33 0.24 0.00 -0.95 0.00 0.00 178.83 178.33 3dku n ALA 115 N -2.24 0.01 0.30 3.87 0.00 -1.12 -4.97 120.51 116.36 3dku n ALA 115 Ca 0.01 -0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.26 3dku n ALA 115 Cb 0.54 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.79 3dku n ALA 115 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dku n SER 116 N -2.27 0.86 -2.35 0.00 7.64 -1.26 -4.70 113.62 111.55 3dku n SER 116 Ca 0.14 -0.93 -0.31 0.00 1.01 0.00 0.00 58.87 58.78 3dku n SER 116 Cb 0.50 0.57 0.04 0.00 -1.01 0.00 0.00 64.21 64.30 3dku n SER 116 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3dku n ASN 117 N -0.48 6.19 -4.80 6.43 6.94 -1.26 -5.02 115.26 123.26 3dku n ASN 117 Ca 0.02 -3.77 -0.38 0.00 -0.02 0.00 0.00 54.58 50.43 3dku n ASN 117 Cb 0.13 -0.68 -0.06 0.00 -2.36 0.00 0.00 39.78 36.81 3dku n ASN 117 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3dku s LEU 118 N -3.74 4.42 0.31 -4.53 1.43 -1.26 0.25 118.68 115.56 3dku s LEU 118 Ca 0.55 0.94 0.08 0.00 -1.03 0.00 0.00 54.13 54.67 3dku s LEU 118 Cb 0.44 -2.64 0.85 0.00 0.03 0.00 0.00 46.19 44.88 3dku s LEU 118 CO -0.09 0.23 1.73 -0.09 0.23 0.00 0.00 176.35 178.36 3dku h ARG 119 N 5.28 0.57 -2.81 1.70 9.65 -0.87 -3.44 114.38 124.47 3dku h ARG 119 Ca -0.48 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.39 3dku h ARG 119 Cb 1.21 -0.13 -0.12 0.00 -1.39 0.00 0.00 29.97 29.54 3dku h ARG 119 CO 0.66 0.37 0.29 -1.54 2.80 0.00 0.00 179.97 182.55 3dku s SER 120 N -5.22 -0.48 0.58 -3.80 1.04 -1.26 -5.04 113.70 99.52 3dku s SER 120 Ca -0.11 -0.07 0.36 0.00 0.48 0.00 0.00 55.95 56.62 3dku s SER 120 Cb 0.27 0.56 1.98 0.00 0.10 0.00 0.00 66.02 68.93 3dku s SER 120 CO 0.80 -0.92 2.11 -0.65 0.98 0.00 0.00 173.24 175.56 3dku h PRO 121 N 2.00 0.00 0.00 4.02 0.11 -2.00 -2.31 132.00 133.83 3dku h PRO 121 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3dku h PRO 121 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3dku h PRO 121 CO 0.34 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.41 3dku n LEU 122 N -2.83 0.00 -0.05 2.35 4.77 -1.26 -2.62 117.00 117.36 3dku n LEU 122 Ca -0.02 0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 3dku n LEU 122 Cb 0.12 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 3dku n LEU 122 CO 0.16 -0.08 0.67 0.58 -1.33 0.00 0.00 177.39 177.39 3dku h VAL 123 N 0.00 1.32 -0.66 4.08 2.07 -1.77 -1.58 116.25 119.71 3dku h VAL 123 Ca 0.00 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 3dku h VAL 123 Cb 0.31 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3dku h VAL 123 CO 0.00 0.31 0.12 0.00 0.02 0.00 0.00 177.57 178.03 3dku h ALA 124 N 0.65 0.87 -0.26 1.67 0.00 -1.72 -3.14 119.26 117.34 3dku h ALA 124 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3dku h ALA 124 Cb 0.52 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dku h ALA 124 CO 0.02 0.63 -0.09 0.93 0.00 0.00 0.00 179.25 180.74 3dku h GLU 125 N 1.00 0.41 -0.37 0.00 4.39 -1.36 -2.10 114.58 116.56 3dku h GLU 125 Ca 0.20 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 3dku h GLU 125 Cb 0.42 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3dku h GLU 125 CO 0.01 0.51 -0.07 0.77 -1.16 0.00 0.00 179.01 179.06 3dku h SER 126 N 0.39 0.60 -0.03 1.42 0.02 -1.24 -1.29 113.55 113.42 3dku h SER 126 Ca 0.08 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3dku h SER 126 Cb 0.40 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3dku h SER 126 CO 0.02 0.72 -0.01 0.40 -1.14 0.00 0.00 176.83 176.82 3dku h ILE 127 N 0.58 1.30 -0.51 3.27 5.03 -1.43 -0.73 117.51 125.02 3dku h ILE 127 Ca 0.11 -0.91 0.10 0.00 -0.12 0.00 0.00 64.86 64.04 3dku h ILE 127 Cb 0.48 1.86 -0.09 0.00 -3.03 0.00 0.00 36.82 36.03 3dku h ILE 127 CO 0.03 0.24 -0.05 0.03 -0.68 0.00 0.00 178.15 177.72 3dku h ARG 128 N -0.31 0.07 -0.35 2.37 3.08 -1.29 0.87 114.38 118.82 3dku h ARG 128 Ca 0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3dku h ARG 128 Cb 0.40 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3dku h ARG 128 CO 0.00 0.05 0.19 0.00 -1.07 0.00 0.00 179.97 179.14 3dku h TYR 130 N 0.44 0.81 0.00 0.00 3.20 0.26 -2.25 116.97 119.44 3dku h TYR 130 Ca 0.12 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3dku h TYR 130 Cb 0.05 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3dku h TYR 130 CO -0.03 0.68 -0.26 1.96 -1.64 0.00 0.00 178.16 178.88 3dku h GLN 131 N 0.70 0.00 -0.80 1.82 4.20 0.12 -1.52 115.11 119.64 3dku h GLN 131 Ca 0.17 0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.06 3dku h GLN 131 Cb 0.23 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 3dku h GLN 131 CO -0.01 0.26 0.54 0.66 -0.67 0.00 0.00 178.83 179.61 3dku h SER 132 N 0.00 0.31 0.00 1.46 4.64 -0.29 -3.46 113.55 116.21 3dku h SER 132 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3dku h SER 132 Cb 0.46 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3dku h SER 132 CO 0.03 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3dku n GLY 133 N -1.56 0.80 3.67 -0.77 0.00 -0.57 -5.04 105.19 101.72 3dku n GLY 133 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3dku n GLY 133 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dku s GLN 134 N -0.72 4.31 0.22 1.61 -2.07 -1.26 -5.04 119.66 116.71 3dku s GLN 134 Ca 0.00 1.15 0.07 0.00 -1.82 0.00 0.00 55.36 54.76 3dku s GLN 134 Cb 0.00 -3.58 -0.05 0.00 -1.09 0.00 0.00 33.01 28.29 3dku s GLN 134 CO 0.00 -0.39 -0.12 1.03 -1.32 0.00 0.00 175.29 174.49 3dku s ARG 135 N 2.34 1.38 0.04 9.60 0.52 -1.26 -4.85 118.95 126.71 3dku s ARG 135 Ca 0.41 -1.63 -0.00 0.00 -0.52 0.00 0.00 55.73 53.99 3dku s ARG 135 Cb -0.17 -1.11 -0.03 0.00 0.52 0.00 0.00 34.95 34.17 3dku s ARG 135 CO 0.12 0.14 -0.04 0.71 0.02 0.00 0.00 175.30 176.26 3dku s TYR 136 N -3.00 0.42 0.83 -0.53 2.02 -0.00 -5.01 117.35 112.08 3dku s TYR 136 Ca 0.24 -0.74 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 3dku s TYR 136 Cb 0.00 -0.30 0.09 0.00 -0.40 0.00 0.00 41.96 41.36 3dku s TYR 136 CO 0.08 -0.25 1.09 -1.25 -1.57 0.00 0.00 175.55 173.65 3dku s PRO 137 N -2.49 1.80 0.27 -1.71 0.04 -1.26 -1.70 135.00 129.95 3dku s PRO 137 Ca -0.06 0.84 0.07 0.00 0.04 0.00 0.00 61.00 61.90 3dku s PRO 137 Cb -0.03 -1.87 0.35 0.00 0.04 0.00 0.00 34.50 33.00 3dku s PRO 137 CO -0.04 -1.87 1.62 -0.07 0.04 0.00 0.00 177.00 176.68 3dku h LEU 138 N -1.28 0.17 -2.56 -3.56 3.38 -1.93 -3.23 115.31 106.29 3dku h LEU 138 Ca -0.47 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 3dku h LEU 138 Cb 1.26 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3dku h LEU 138 CO 0.55 0.69 -0.01 -0.33 0.09 0.00 0.00 178.44 179.44 3dku h GLU 139 N 0.12 0.00 0.00 1.13 4.39 -1.98 -2.66 114.58 115.58 3dku h GLU 139 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dku h GLU 139 Cb 1.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3dku h GLU 139 CO 0.08 0.01 -0.00 1.98 -1.16 0.00 0.00 179.01 179.92 3dku h MET 140 N 0.00 0.00 -0.10 2.33 4.05 -1.94 0.14 114.93 119.40 3dku h MET 140 Ca -0.00 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 3dku h MET 140 Cb 0.02 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 30.70 3dku h MET 140 CO 0.00 0.00 -0.64 0.44 0.23 0.00 0.00 176.91 176.94 3dku n ILE 141 N -3.10 1.88 -1.88 1.77 -6.64 -1.00 -5.11 119.36 105.29 3dku n ILE 141 Ca -0.03 -3.01 -0.32 0.00 -1.77 0.00 0.00 62.75 57.63 3dku n ILE 141 Cb 0.08 -0.11 0.02 0.00 -1.44 0.00 0.00 39.64 38.19 3dku n ILE 141 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3dku s GLY 142 N -3.11 1.87 0.94 3.28 0.00 0.49 -4.86 107.32 105.93 3dku s GLY 142 Ca 0.39 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 45.17 3dku s GLY 142 CO -0.07 0.48 1.10 0.51 0.00 0.00 0.00 173.10 175.12 3dku s ASP 143 N -3.41 2.90 -0.05 1.64 -4.77 -1.26 -5.08 116.67 106.63 3dku s ASP 143 Ca 0.60 1.86 -0.02 0.00 -3.30 0.00 0.00 52.55 51.68 3dku s ASP 143 Cb -0.14 -2.43 0.04 0.00 -1.09 0.00 0.00 42.92 39.30 3dku s ASP 143 CO 0.46 -3.06 0.09 0.12 0.70 0.00 0.00 175.17 173.48 3dku s PHE 144 N -2.71 -0.05 -1.63 2.11 5.36 -1.26 -4.85 117.98 114.95 3dku s PHE 144 Ca 0.65 0.36 -0.14 0.00 -0.96 0.00 0.00 56.93 56.84 3dku s PHE 144 Cb -0.21 -0.28 0.12 0.00 -0.34 0.00 0.00 43.02 42.30 3dku s PHE 144 CO 0.59 -0.18 0.70 0.09 -1.46 0.00 0.00 175.22 174.96 3dku n ASN 145 N 4.79 -2.65 -4.74 6.13 3.02 -1.26 -4.87 115.26 115.69 3dku n ASN 145 Ca -0.15 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.98 3dku n ASN 145 Cb 0.50 -2.85 -0.03 0.00 -0.61 0.00 0.00 39.78 36.79 3dku n ASN 145 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3dku s TRP 146 N -3.46 3.21 0.04 3.10 -0.11 -1.26 -4.93 118.94 115.53 3dku s TRP 146 Ca 0.56 1.19 -0.15 0.00 1.22 0.00 0.00 56.10 58.92 3dku s TRP 146 Cb -0.31 -3.64 -0.34 0.00 -1.50 0.00 0.00 33.47 27.68 3dku s TRP 146 CO 0.92 -2.02 1.04 -1.00 -4.62 0.00 0.00 176.95 171.26 3dku h PRO 147 N 5.27 0.57 -7.39 5.86 0.13 -2.02 -3.47 132.00 130.95 3dku h PRO 147 Ca -0.45 -0.90 -0.51 0.00 -0.87 0.00 0.00 66.00 63.28 3dku h PRO 147 Cb 1.22 0.32 0.07 0.00 0.13 0.00 0.00 31.00 32.74 3dku h PRO 147 CO 0.77 1.42 0.42 -0.06 -0.23 0.00 0.00 178.00 180.32 3dku s PHE 148 N -2.72 3.52 0.61 1.56 0.40 -1.26 -5.06 117.98 115.03 3dku s PHE 148 Ca -0.09 1.23 -0.15 0.00 -0.60 0.00 0.00 56.93 57.33 3dku s PHE 148 Cb 0.05 -2.82 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 3dku s PHE 148 CO 0.94 -0.85 1.06 0.95 0.70 0.00 0.00 175.22 178.02 3dku s THR 149 N -3.22 3.84 0.00 0.64 -4.23 -1.26 -5.06 115.64 106.35 3dku s THR 149 Ca 0.56 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 3dku s THR 149 Cb -0.11 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.35 3dku s THR 149 CO 0.54 -0.56 0.00 0.29 -0.54 0.00 0.00 174.62 174.35 3dku n LYS 150 N -2.21 0.00 -0.28 3.99 5.02 -1.26 -5.10 118.16 118.32 3dku n LYS 150 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3dku n LYS 150 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3dku n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dku n GLY 151 N 3.51 -0.23 3.34 0.72 0.00 -1.26 -5.13 105.19 106.14 3dku n GLY 151 Ca 0.00 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3dku n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dku s VAL 152 N -0.38 0.00 0.00 1.61 1.01 -1.26 -5.31 120.40 116.07 3dku s VAL 152 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.18 3dku s VAL 152 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.96 3dku s VAL 152 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 175.10 177.40