#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixr s SER -1 N 0.00 1.81 -0.03 1.61 0.01 -1.26 -5.07 113.70 110.78 3ixr s SER -1 Ca 0.00 -0.95 0.22 0.00 1.31 0.00 0.00 55.95 56.53 3ixr s SER -1 Cb 0.00 -0.02 0.67 0.00 0.21 0.00 0.00 66.02 66.87 3ixr s SER -1 CO 0.00 -0.28 1.56 0.00 0.41 0.00 0.00 173.24 174.93 3ixr n HIS 0 N 0.04 1.11 -3.92 2.43 -0.00 -1.26 -4.72 115.22 108.90 3ixr n HIS 0 Ca -0.12 -0.52 -0.29 0.00 -0.00 0.00 0.00 57.72 56.80 3ixr n HIS 0 Cb 0.59 -0.06 -0.16 0.00 -0.00 0.00 0.00 29.99 30.36 3ixr n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 3ixr s MET 1 N -1.21 1.59 0.16 -1.40 0.00 -1.26 -5.00 119.30 112.17 3ixr s MET 1 Ca 0.50 -0.62 0.04 0.00 0.00 0.00 0.00 55.69 55.61 3ixr s MET 1 Cb 0.27 -2.13 -0.05 0.00 0.00 0.00 0.00 34.83 32.92 3ixr s MET 1 CO 0.31 -0.44 -0.06 -0.80 0.00 0.00 0.00 175.02 174.03 3ixr s ASN 2 N 1.57 1.66 0.28 1.11 0.01 -1.26 -5.00 114.94 113.31 3ixr s ASN 2 Ca -0.00 -1.08 -0.30 0.00 -0.71 0.00 0.00 52.86 50.77 3ixr s ASN 2 Cb -0.16 0.02 -0.12 0.00 0.41 0.00 0.00 41.25 41.41 3ixr s ASN 2 CO -0.08 -0.42 1.58 -0.38 -1.51 0.00 0.00 177.10 176.30 3ixr n ILE 3 N -0.24 0.94 0.00 0.60 5.41 -1.26 -1.22 119.36 123.59 3ixr n ILE 3 Ca -0.09 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.43 3ixr n ILE 3 Cb 0.62 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 3ixr n ILE 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ixr n GLY 4 N 2.29 2.86 3.79 7.39 0.00 0.17 -4.99 105.19 116.70 3ixr n GLY 4 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3ixr n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ixr s ASP 5 N -1.21 5.82 -0.15 1.61 1.01 -0.36 -4.71 116.67 118.69 3ixr s ASP 5 Ca 0.00 1.91 -0.04 0.00 0.71 0.00 0.00 52.55 55.14 3ixr s ASP 5 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 3ixr s ASP 5 CO 0.00 -1.14 -0.03 -0.89 0.21 0.00 0.00 175.17 173.32 3ixr s THR 6 N -2.23 3.99 0.22 -1.27 2.01 -1.26 -0.77 115.64 116.32 3ixr s THR 6 Ca 0.66 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 62.02 3ixr s THR 6 Cb -0.18 -2.74 -0.10 0.00 0.01 0.00 0.00 72.50 69.50 3ixr s THR 6 CO 0.32 0.51 1.49 -0.76 -0.69 0.00 0.00 174.62 175.49 3ixr s LEU 7 N 0.17 4.38 0.78 4.42 1.43 -0.22 -5.00 118.68 124.63 3ixr s LEU 7 Ca -0.01 2.65 -0.10 0.00 -1.03 0.00 0.00 54.13 55.65 3ixr s LEU 7 Cb -0.14 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.56 3ixr s LEU 7 CO 0.03 -0.75 1.11 0.54 0.23 0.00 0.00 176.35 177.51 3ixr s ASN 8 N 0.67 4.48 0.22 2.29 6.03 -1.26 -4.78 114.94 122.58 3ixr s ASN 8 Ca 0.63 0.53 -0.08 0.00 -1.03 0.00 0.00 52.86 52.91 3ixr s ASN 8 Cb -0.43 -1.04 0.17 0.00 -3.03 0.00 0.00 41.25 36.93 3ixr s ASN 8 CO 0.39 -1.86 1.81 -0.74 -2.03 0.00 0.00 177.10 174.67 3ixr h HIS 9 N -0.90 1.16 -0.14 1.54 -0.00 -1.98 0.84 115.15 115.68 3ixr h HIS 9 Ca -0.45 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 59.87 3ixr h HIS 9 Cb 1.31 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 28.35 3ixr h HIS 9 CO 0.13 0.84 0.08 1.03 -0.00 0.00 0.00 177.93 180.01 3ixr h SER 10 N 1.15 0.17 -0.44 3.26 0.87 -1.97 -1.82 113.55 114.77 3ixr h SER 10 Ca 0.28 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3ixr h SER 10 Cb 0.10 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3ixr h SER 10 CO -0.04 0.19 0.18 0.25 -0.53 0.00 0.00 176.83 176.88 3ixr h LEU 11 N 0.14 0.61 -2.27 2.23 5.85 -1.88 -0.94 115.31 119.04 3ixr h LEU 11 Ca 0.05 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3ixr h LEU 11 Cb 0.06 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3ixr h LEU 11 CO -0.01 0.61 0.06 -0.07 -0.34 0.00 0.00 178.44 178.69 3ixr h LEU 12 N 0.57 0.00 -1.85 2.25 3.38 -0.56 -2.83 115.31 116.26 3ixr h LEU 12 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3ixr h LEU 12 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ixr h LEU 12 CO -0.01 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.11 3ixr n ASN 13 N -4.06 2.50 -4.69 -0.43 3.02 -0.71 -1.34 115.26 109.54 3ixr n ASN 13 Ca -0.01 -1.72 -0.42 0.00 -0.03 0.00 0.00 54.58 52.39 3ixr n ASN 13 Cb 0.16 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3ixr n ASN 13 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3ixr n HIS 14 N 0.89 2.64 -2.28 3.10 -0.00 -0.38 -4.95 115.22 114.24 3ixr n HIS 14 Ca 0.11 -0.11 -0.42 0.00 -0.00 0.00 0.00 57.72 57.29 3ixr n HIS 14 Cb 0.41 -2.72 -0.03 0.00 -0.00 0.00 0.00 29.99 27.65 3ixr n HIS 14 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3ixr s PRO 15 N 2.47 4.33 -0.23 1.57 0.02 -1.26 -4.46 135.00 137.44 3ixr s PRO 15 Ca 0.81 1.92 -0.10 0.00 0.02 0.00 0.00 61.00 63.65 3ixr s PRO 15 Cb -0.49 -3.43 -0.05 0.00 0.02 0.00 0.00 34.50 30.55 3ixr s PRO 15 CO 0.37 -0.45 0.13 -0.51 -0.33 0.00 0.00 177.00 176.21 3ixr s LEU 16 N 1.72 4.02 -0.21 -5.54 1.43 0.66 -4.98 118.68 115.78 3ixr s LEU 16 Ca 0.62 0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 53.61 3ixr s LEU 16 Cb -0.32 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 3ixr s LEU 16 CO 0.28 0.09 0.61 -0.04 0.23 0.00 0.00 176.35 177.51 3ixr s MET 17 N 0.93 4.18 0.30 1.70 -1.94 -1.26 -2.48 119.30 120.73 3ixr s MET 17 Ca 0.07 0.56 0.09 0.00 -1.71 0.00 0.00 55.69 54.69 3ixr s MET 17 Cb -0.13 -3.59 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 3ixr s MET 17 CO 0.03 -0.27 0.08 -0.51 -0.01 0.00 0.00 175.02 174.34 3ixr s LEU 18 N 2.02 3.29 0.58 -0.03 1.02 -0.24 0.16 118.68 125.48 3ixr s LEU 18 Ca 0.27 -0.66 -0.18 0.00 0.02 0.00 0.00 54.13 53.58 3ixr s LEU 18 Cb -0.16 -1.79 -0.07 0.00 0.02 0.00 0.00 46.19 44.20 3ixr s LEU 18 CO 0.10 -0.13 0.78 -1.54 0.02 0.00 0.00 176.35 175.58 3ixr n SER 19 N -1.03 0.02 0.00 2.29 3.41 0.32 -2.08 113.62 116.54 3ixr n SER 19 Ca -0.05 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 3ixr n SER 19 Cb 0.60 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 3ixr n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ixr n GLY 20 N 1.49 0.84 2.40 5.00 0.00 -1.26 -3.58 105.19 110.09 3ixr n GLY 20 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 3ixr n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ixr n SER 21 N 0.00 -5.09 -4.98 1.61 7.64 -0.89 -5.01 113.62 106.91 3ixr n SER 21 Ca 0.00 -0.05 -0.19 0.00 1.01 0.00 0.00 58.87 59.64 3ixr n SER 21 Cb 0.00 -4.14 0.03 0.00 -1.01 0.00 0.00 64.21 59.10 3ixr n SER 21 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ixr s THR 22 N -2.89 2.71 0.01 0.44 -4.23 -1.15 -4.93 115.64 105.60 3ixr s THR 22 Ca 0.04 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 3ixr s THR 22 Cb -0.02 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 3ixr s THR 22 CO 0.05 0.00 -0.03 0.00 -0.54 0.00 0.00 174.62 174.10 3ixr s LYS 24 N -0.77 1.58 0.14 0.00 2.47 -1.03 -4.98 119.74 117.15 3ixr s LYS 24 Ca -0.07 -1.45 0.05 0.00 -1.56 0.00 0.00 55.97 52.94 3ixr s LYS 24 Cb -0.05 0.43 -0.04 0.00 -1.46 0.00 0.00 37.83 36.70 3ixr s LYS 24 CO -0.00 -0.64 -0.12 0.95 0.16 0.00 0.00 175.35 175.70 3ixr s THR 25 N -3.79 1.26 0.49 3.43 -4.23 -1.26 -0.24 115.64 111.29 3ixr s THR 25 Ca 0.27 -1.93 0.16 0.00 -1.18 0.00 0.00 61.69 59.01 3ixr s THR 25 Cb 0.01 -1.72 0.30 0.00 1.34 0.00 0.00 72.50 72.43 3ixr s THR 25 CO 0.12 -0.61 2.07 -0.07 -0.54 0.00 0.00 174.62 175.59 3ixr h LEU 26 N 3.05 0.15 -2.48 4.79 3.38 -1.76 -0.36 115.31 122.07 3ixr h LEU 26 Ca -0.38 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.61 3ixr h LEU 26 Cb 1.20 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3ixr h LEU 26 CO 0.58 0.10 0.12 0.77 0.09 0.00 0.00 178.44 180.11 3ixr h SER 27 N 0.17 0.00 0.10 -0.43 4.64 -1.53 -0.60 113.55 115.90 3ixr h SER 27 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3ixr h SER 27 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3ixr h SER 27 CO -0.02 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.41 3ixr n ASP 28 N -3.42 0.45 -1.40 4.97 8.00 -0.15 -1.91 116.55 123.10 3ixr n ASP 28 Ca -0.01 0.69 0.10 0.00 0.71 0.00 0.00 54.79 56.28 3ixr n ASP 28 Cb 0.21 -0.76 0.33 0.00 -0.02 0.00 0.00 41.12 40.88 3ixr n ASP 28 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ixr n TYR 29 N -2.08 1.21 -1.62 1.24 4.02 -0.23 -4.96 117.16 114.73 3ixr n TYR 29 Ca -0.01 -0.58 -0.41 0.00 -0.01 0.00 0.00 57.90 56.89 3ixr n TYR 29 Cb 0.05 -0.15 0.01 0.00 -0.02 0.00 0.00 39.34 39.24 3ixr n TYR 29 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3ixr n THR 30 N 1.18 2.46 -1.04 -0.72 -1.04 -0.80 -1.71 114.28 112.60 3ixr n THR 30 Ca 0.24 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.05 61.73 3ixr n THR 30 Cb 0.76 -1.19 -0.01 0.00 -1.82 0.00 0.00 70.33 68.07 3ixr n THR 30 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3ixr n ASN 31 N 0.48 -4.62 -4.26 8.00 3.02 -0.06 -4.99 115.26 112.83 3ixr n ASN 31 Ca 0.09 0.04 -0.14 0.00 -0.03 0.00 0.00 54.58 54.54 3ixr n ASN 31 Cb 0.39 -2.25 -0.10 0.00 -0.61 0.00 0.00 39.78 37.21 3ixr n ASN 31 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3ixr s GLN 32 N -1.34 1.15 0.14 3.52 -0.21 -0.70 -4.90 119.66 117.32 3ixr s GLN 32 Ca 0.00 -1.55 -0.21 0.00 0.02 0.00 0.00 55.36 53.62 3ixr s GLN 32 Cb 0.00 -0.38 -0.07 0.00 1.00 0.00 0.00 33.01 33.55 3ixr s GLN 32 CO 0.00 -0.10 0.66 -1.58 -2.12 0.00 0.00 175.29 172.16 3ixr s TRP 33 N -3.57 3.79 -0.09 0.91 0.52 -0.28 -3.27 118.94 116.95 3ixr s TRP 33 Ca 0.24 1.39 0.03 0.00 0.02 0.00 0.00 56.10 57.78 3ixr s TRP 33 Cb 0.06 -2.60 0.01 0.00 -1.15 0.00 0.00 33.47 29.79 3ixr s TRP 33 CO 0.04 0.50 -0.18 -1.17 0.02 0.00 0.00 176.95 176.17 3ixr s LEU 34 N -1.37 1.86 -0.38 2.99 2.96 -0.08 -1.63 118.68 123.02 3ixr s LEU 34 Ca 0.35 -0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 53.65 3ixr s LEU 34 Cb -0.20 -1.14 0.01 0.00 0.50 0.00 0.00 46.19 45.36 3ixr s LEU 34 CO 0.22 0.08 0.41 -0.69 -1.32 0.00 0.00 176.35 175.05 3ixr s VAL 35 N 0.62 5.12 -0.38 1.68 1.01 0.22 -0.38 120.40 128.29 3ixr s VAL 35 Ca -0.14 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3ixr s VAL 35 Cb -0.16 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.34 3ixr s VAL 35 CO 0.04 -0.27 0.18 -0.22 0.00 0.00 0.00 175.10 174.83 3ixr s LEU 36 N 2.10 4.79 -0.19 3.92 2.96 -0.36 -0.65 118.68 131.25 3ixr s LEU 36 Ca 0.12 -1.48 -0.04 0.00 -0.22 0.00 0.00 54.13 52.52 3ixr s LEU 36 Cb -0.17 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3ixr s LEU 36 CO 0.13 -0.45 -0.03 -0.72 -1.32 0.00 0.00 176.35 173.96 3ixr s TYR 37 N 1.34 2.99 -0.11 5.38 1.13 -0.16 -0.81 117.35 127.12 3ixr s TYR 37 Ca 0.02 -0.58 -0.11 0.00 -1.41 0.00 0.00 57.07 54.98 3ixr s TYR 37 Cb -0.22 -2.05 -0.05 0.00 -1.10 0.00 0.00 41.96 38.55 3ixr s TYR 37 CO 0.01 -0.29 0.24 -0.06 -2.51 0.00 0.00 175.55 172.94 3ixr s PHE 38 N 0.97 3.57 0.06 -3.49 0.40 0.20 -0.21 117.98 119.49 3ixr s PHE 38 Ca 0.01 0.64 0.02 0.00 -0.60 0.00 0.00 56.93 56.99 3ixr s PHE 38 Cb -0.15 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 3ixr s PHE 38 CO 0.01 0.53 -0.08 1.52 0.70 0.00 0.00 175.22 177.90 3ixr s TYR 39 N -0.49 0.79 0.12 0.36 -0.85 -0.39 -2.37 117.35 114.52 3ixr s TYR 39 Ca 0.17 -0.62 -0.20 0.00 -0.52 0.00 0.00 57.07 55.90 3ixr s TYR 39 Cb -0.13 -0.46 -0.06 0.00 0.38 0.00 0.00 41.96 41.68 3ixr s TYR 39 CO 0.05 -0.09 1.77 -1.35 -1.52 0.00 0.00 175.55 174.42 3ixr h PRO 40 N 4.01 0.25 -1.97 -3.49 0.11 -1.86 -3.39 132.00 125.65 3ixr h PRO 40 Ca -0.36 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 3ixr h PRO 40 Cb 1.19 -0.06 -0.21 0.00 0.11 0.00 0.00 31.00 32.03 3ixr h PRO 40 CO 0.48 0.16 0.14 -1.59 -0.21 0.00 0.00 178.00 176.98 3ixr s LYS 41 N -6.18 0.80 0.56 1.05 0.00 -1.26 -4.65 119.74 110.06 3ixr s LYS 41 Ca -0.13 1.00 -0.19 0.00 0.00 0.00 0.00 55.97 56.64 3ixr s LYS 41 Cb 0.09 0.37 -0.07 0.00 0.00 0.00 0.00 37.83 38.22 3ixr s LYS 41 CO 0.69 -0.10 0.86 -0.25 0.00 0.00 0.00 175.35 176.55 3ixr n ASP 42 N 2.84 0.39 -3.17 0.03 9.92 -1.26 -4.03 116.55 121.28 3ixr n ASP 42 Ca -0.15 0.83 -0.21 0.00 -0.53 0.00 0.00 54.79 54.73 3ixr n ASP 42 Cb 0.55 -1.33 0.06 0.00 -0.64 0.00 0.00 41.12 39.77 3ixr n ASP 42 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3ixr n ASN 43 N -0.22 -5.94 -4.72 -2.24 5.03 -1.26 -5.02 115.26 100.89 3ixr n ASN 43 Ca 0.12 -0.43 -0.23 0.00 0.87 0.00 0.00 54.58 54.92 3ixr n ASN 43 Cb 0.46 -4.62 -0.06 0.00 -1.02 0.00 0.00 39.78 34.54 3ixr n ASN 43 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3ixr s THR 44 N -3.25 3.76 0.25 3.41 -4.23 -1.26 -4.98 115.64 109.34 3ixr s THR 44 Ca 0.46 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 59.22 3ixr s THR 44 Cb -0.20 -3.06 0.23 0.00 1.34 0.00 0.00 72.50 70.80 3ixr s THR 44 CO 0.57 -0.34 1.86 -0.65 -0.54 0.00 0.00 174.62 175.53 3ixr h PRO 45 N 1.70 1.01 -0.40 3.99 0.11 -1.95 0.17 132.00 136.62 3ixr h PRO 45 Ca -0.46 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3ixr h PRO 45 Cb 1.25 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3ixr h PRO 45 CO 0.61 0.67 0.04 0.78 -0.21 0.00 0.00 178.00 179.88 3ixr h GLY 46 N 1.04 0.73 1.76 -0.55 0.00 -1.96 -1.61 103.07 102.48 3ixr h GLY 46 Ca 0.38 -0.51 -0.20 0.00 0.00 0.00 0.00 47.33 47.01 3ixr h GLY 46 CO -0.16 0.47 -0.87 1.48 0.00 0.00 0.00 176.54 177.45 3ixr h SER 47 N 0.52 0.28 -0.27 0.19 4.64 -1.77 0.24 113.55 117.38 3ixr h SER 47 Ca 0.12 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3ixr h SER 47 Cb 0.41 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3ixr h SER 47 CO 0.01 1.02 0.04 0.28 -0.87 0.00 0.00 176.83 177.32 3ixr h SER 48 N 0.12 0.42 -0.27 4.97 0.02 -1.02 -1.72 113.55 116.07 3ixr h SER 48 Ca -0.04 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3ixr h SER 48 Cb 1.50 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 3ixr h SER 48 CO 0.13 0.57 0.16 0.74 -1.14 0.00 0.00 176.83 177.30 3ixr h THR 49 N 0.25 1.10 -0.50 -2.27 2.02 -1.26 -0.16 112.91 112.10 3ixr h THR 49 Ca 0.08 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 67.06 3ixr h THR 49 Cb 0.33 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3ixr h THR 49 CO 0.01 0.10 0.24 -0.08 0.37 0.00 0.00 175.52 176.16 3ixr h GLU 50 N 0.34 0.46 -0.41 6.66 4.81 -0.92 -0.83 114.58 124.69 3ixr h GLU 50 Ca 0.10 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3ixr h GLU 50 Cb 0.02 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3ixr h GLU 50 CO -0.02 0.31 0.18 0.78 -0.73 0.00 0.00 179.01 179.53 3ixr h GLY 51 N 0.48 0.55 1.50 1.92 0.00 -1.04 -1.72 103.07 104.77 3ixr h GLY 51 Ca 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 3ixr h GLY 51 CO -0.16 0.07 0.08 1.41 0.00 0.00 0.00 176.54 177.94 3ixr h LEU 52 N 0.38 0.58 -0.40 3.11 3.38 -0.68 -0.03 115.31 121.65 3ixr h LEU 52 Ca 0.18 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3ixr h LEU 52 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3ixr h LEU 52 CO -0.15 0.60 -0.29 -0.33 0.09 0.00 0.00 178.44 178.36 3ixr h GLU 53 N 0.61 0.90 -0.50 1.13 5.08 -0.82 -0.48 114.58 120.50 3ixr h GLU 53 Ca 0.14 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 3ixr h GLU 53 Cb 0.26 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3ixr h GLU 53 CO 0.00 1.09 0.06 0.74 -1.00 0.00 0.00 179.01 179.89 3ixr h PHE 54 N 0.72 0.85 -0.36 4.33 0.04 -1.21 -3.13 116.94 118.18 3ixr h PHE 54 Ca 0.08 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 3ixr h PHE 54 Cb 0.87 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 3ixr h PHE 54 CO 0.06 0.75 0.03 -0.97 -0.60 0.00 0.00 178.31 177.59 3ixr h ASN 55 N 0.77 0.60 -0.89 2.17 -1.24 -0.43 -0.86 115.58 115.70 3ixr h ASN 55 Ca 0.16 -0.28 0.13 0.00 0.71 0.00 0.00 56.30 57.02 3ixr h ASN 55 Cb 0.38 -0.16 -0.07 0.00 0.73 0.00 0.00 38.32 39.20 3ixr h ASN 55 CO 0.01 0.73 0.57 0.25 -1.29 0.00 0.00 177.43 177.71 3ixr h LEU 56 N 0.45 0.69 -0.04 0.34 5.85 -1.13 -2.48 115.31 119.00 3ixr h LEU 56 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3ixr h LEU 56 Cb 0.41 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3ixr h LEU 56 CO 0.01 0.36 -0.59 0.18 -0.34 0.00 0.00 178.44 178.06 3ixr n LEU 57 N -4.56 0.65 -0.30 2.25 4.77 -0.78 -4.52 117.00 114.51 3ixr n LEU 57 Ca 0.17 -0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.15 3ixr n LEU 57 Cb 0.43 -0.19 0.29 0.00 -2.33 0.00 0.00 43.42 41.62 3ixr n LEU 57 CO 0.30 0.16 1.04 0.25 -1.33 0.00 0.00 177.39 177.80 3ixr h LEU 58 N 0.09 0.31 -1.48 2.23 5.85 -0.69 0.91 115.31 122.54 3ixr h LEU 58 Ca 0.00 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3ixr h LEU 58 Cb 0.50 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3ixr h LEU 58 CO 0.00 0.01 0.04 -0.65 -0.34 0.00 0.00 178.44 177.50 3ixr h PRO 59 N 0.40 0.38 -0.43 5.25 0.11 -1.81 0.10 132.00 136.00 3ixr h PRO 59 Ca 0.54 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.45 3ixr h PRO 59 Cb 1.00 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3ixr h PRO 59 CO -0.52 0.38 -0.31 1.96 -0.21 0.00 0.00 178.00 179.31 3ixr h GLN 60 N 0.38 0.97 -0.14 1.05 4.20 -1.17 -1.36 115.11 119.03 3ixr h GLN 60 Ca 0.09 -0.46 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 3ixr h GLN 60 Cb 0.19 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3ixr h GLN 60 CO 0.00 1.13 0.09 0.74 -0.67 0.00 0.00 178.83 180.12 3ixr h PHE 61 N 0.81 0.18 0.00 2.96 0.04 -0.76 -3.11 116.94 117.06 3ixr h PHE 61 Ca 0.08 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3ixr h PHE 61 Cb 0.89 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.98 3ixr h PHE 61 CO 0.06 0.15 -0.11 0.93 -0.60 0.00 0.00 178.31 178.74 3ixr h GLU 62 N 0.16 0.00 0.00 1.51 5.08 -0.82 -0.75 114.58 119.76 3ixr h GLU 62 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ixr h GLU 62 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ixr h GLU 62 CO -0.01 0.11 -0.00 0.37 -1.00 0.00 0.00 179.01 178.47 3ixr h GLN 63 N 0.00 0.00 -0.25 2.33 4.15 -1.17 -2.51 115.11 117.66 3ixr h GLN 63 Ca -0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.23 3ixr h GLN 63 Cb 0.22 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 27.76 3ixr h GLN 63 CO 0.01 0.00 -0.62 0.44 -1.93 0.00 0.00 178.83 176.74 3ixr n ILE 64 N -3.10 2.26 -2.85 2.39 -5.35 -0.71 -4.97 119.36 107.03 3ixr n ILE 64 Ca -0.00 -3.51 -0.11 0.00 -0.27 0.00 0.00 62.75 58.85 3ixr n ILE 64 Cb 0.26 -0.49 0.03 0.00 -1.74 0.00 0.00 39.64 37.70 3ixr n ILE 64 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3ixr n ASN 65 N -0.95 -3.97 -4.24 7.28 5.15 -0.94 -4.85 115.26 112.74 3ixr n ASN 65 Ca 0.27 -0.21 -0.20 0.00 -0.60 0.00 0.00 54.58 53.84 3ixr n ASN 65 Cb 0.79 -2.68 -0.12 0.00 -0.53 0.00 0.00 39.78 37.25 3ixr n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ixr s ALA 66 N -3.02 1.54 0.28 5.20 0.00 -0.37 -1.13 121.76 124.27 3ixr s ALA 66 Ca 0.22 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.95 3ixr s ALA 66 Cb -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3ixr s ALA 66 CO 0.28 0.18 0.27 -0.08 0.00 0.00 0.00 175.76 176.41 3ixr s THR 67 N -1.75 0.00 -0.02 0.00 -1.32 -0.64 -2.81 115.64 109.09 3ixr s THR 67 Ca 0.07 -1.89 0.06 0.00 -1.21 0.00 0.00 61.69 58.72 3ixr s THR 67 Cb -0.07 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.40 3ixr s THR 67 CO 0.03 0.00 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.55 3ixr s VAL 68 N -3.67 1.61 -0.06 5.08 1.01 -1.26 -0.61 120.40 122.50 3ixr s VAL 68 Ca 0.37 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3ixr s VAL 68 Cb 0.03 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.09 3ixr s VAL 68 CO 0.20 0.45 -0.06 -0.76 0.00 0.00 0.00 175.10 174.93 3ixr s LEU 69 N -0.41 1.33 0.31 3.92 1.43 0.18 -4.35 118.68 121.09 3ixr s LEU 69 Ca 0.06 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3ixr s LEU 69 Cb -0.08 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 3ixr s LEU 69 CO -0.00 -0.05 0.53 -0.83 0.23 0.00 0.00 176.35 176.23 3ixr s GLY 70 N 1.00 1.53 -0.03 -3.19 0.00 -1.04 -0.98 107.32 104.60 3ixr s GLY 70 Ca -0.09 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 3ixr s GLY 70 CO -0.00 -0.74 0.05 0.14 0.00 0.00 0.00 173.10 172.55 3ixr s VAL 71 N -2.20 -0.06 0.33 1.40 1.01 0.71 0.65 120.40 122.24 3ixr s VAL 71 Ca 0.41 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 3ixr s VAL 71 Cb -0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 3ixr s VAL 71 CO 0.34 0.09 0.43 -0.94 0.00 0.00 0.00 175.10 175.02 3ixr s SER 72 N 1.17 0.94 0.00 3.32 1.04 -1.13 -1.27 113.70 117.77 3ixr s SER 72 Ca -0.08 -1.49 0.14 0.00 0.48 0.00 0.00 55.95 54.99 3ixr s SER 72 Cb -0.13 0.63 0.43 0.00 0.10 0.00 0.00 66.02 67.05 3ixr s SER 72 CO -0.03 -1.24 1.34 0.54 0.98 0.00 0.00 173.24 174.83 3ixr n ARG 73 N -0.55 1.90 -1.38 4.02 3.00 -1.26 -1.29 116.66 121.09 3ixr n ARG 73 Ca 0.02 -1.38 -0.31 0.00 -0.01 0.00 0.00 57.85 56.16 3ixr n ARG 73 Cb 0.62 -1.33 0.08 0.00 0.00 0.00 0.00 32.46 31.83 3ixr n ARG 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3ixr s ASP 74 N -1.12 4.69 0.89 0.55 1.01 -1.26 -4.20 116.67 117.23 3ixr s ASP 74 Ca 0.28 1.84 -0.11 0.00 0.71 0.00 0.00 52.55 55.27 3ixr s ASP 74 Cb 0.15 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 41.68 3ixr s ASP 74 CO 0.20 -1.91 1.10 -0.94 0.21 0.00 0.00 175.17 173.83 3ixr s SER 75 N -3.27 3.39 0.25 0.27 1.04 -1.26 -4.26 113.70 109.86 3ixr s SER 75 Ca 0.62 1.79 -0.04 0.00 0.48 0.00 0.00 55.95 58.81 3ixr s SER 75 Cb -0.17 -2.41 0.43 0.00 0.10 0.00 0.00 66.02 63.97 3ixr s SER 75 CO 0.53 -2.74 1.79 0.58 0.98 0.00 0.00 173.24 174.38 3ixr h VAL 76 N -1.62 0.86 -0.54 5.02 2.07 -1.92 -0.11 116.25 120.01 3ixr h VAL 76 Ca -0.47 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3ixr h VAL 76 Cb 1.27 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3ixr h VAL 76 CO 0.49 0.13 0.34 0.50 0.02 0.00 0.00 177.57 179.06 3ixr h LYS 77 N 0.73 0.66 -0.02 1.57 3.64 -1.97 0.11 116.57 121.28 3ixr h LYS 77 Ca 0.41 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3ixr h LYS 77 Cb 0.44 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3ixr h LYS 77 CO -0.28 0.44 0.01 1.03 -2.27 0.00 0.00 179.45 178.38 3ixr h SER 78 N 0.68 0.03 -0.89 4.20 0.87 -1.84 -1.64 113.55 114.95 3ixr h SER 78 Ca 0.21 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.82 3ixr h SER 78 Cb -0.03 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 61.85 3ixr h SER 78 CO -0.07 0.06 0.54 0.45 -0.53 0.00 0.00 176.83 177.27 3ixr h HIS 79 N -0.00 0.99 -0.58 2.24 3.86 -0.65 -0.99 115.15 120.01 3ixr h HIS 79 Ca 0.01 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 3ixr h HIS 79 Cb 0.03 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 3ixr h HIS 79 CO -0.07 0.43 0.02 -0.44 0.86 0.00 0.00 177.93 178.73 3ixr h ASP 80 N 0.91 0.97 -0.24 2.45 3.32 -0.39 0.14 116.42 123.58 3ixr h ASP 80 Ca 0.42 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3ixr h ASP 80 Cb 0.34 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3ixr h ASP 80 CO -0.23 1.01 -0.08 0.28 -1.72 0.00 0.00 179.24 178.50 3ixr h SER 81 N 0.92 0.60 -0.02 6.45 0.02 -0.92 -1.41 113.55 119.18 3ixr h SER 81 Ca 0.17 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3ixr h SER 81 Cb 0.51 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3ixr h SER 81 CO 0.02 0.73 -0.20 0.15 -1.14 0.00 0.00 176.83 176.39 3ixr h PHE 82 N 0.57 0.24 -0.48 3.45 -0.00 -0.88 -0.31 116.94 119.54 3ixr h PHE 82 Ca 0.11 -0.12 -0.04 0.00 -0.00 0.00 0.00 57.97 57.92 3ixr h PHE 82 Cb 0.49 -0.03 -0.02 0.00 -0.00 0.00 0.00 35.95 36.38 3ixr h PHE 82 CO 0.02 0.86 0.13 0.00 -0.00 0.00 0.00 178.31 179.32 3ixr h ALA 84 N 1.45 0.17 -0.56 0.00 0.00 -1.14 0.12 119.26 119.31 3ixr h ALA 84 Ca 0.16 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3ixr h ALA 84 Cb 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3ixr h ALA 84 CO -0.01 -0.11 0.33 -0.22 0.00 0.00 0.00 179.25 179.24 3ixr h LYS 85 N -0.05 0.63 0.00 0.00 3.64 -0.85 -3.01 116.57 116.92 3ixr h LYS 85 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ixr h LYS 85 Cb 0.40 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3ixr h LYS 85 CO 0.01 0.42 -0.54 1.96 -2.27 0.00 0.00 179.45 179.02 3ixr h GLN 86 N 0.65 0.00 -1.88 1.90 1.08 -1.09 -3.48 115.11 112.28 3ixr h GLN 86 Ca 0.23 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.27 3ixr h GLN 86 Cb 0.04 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3ixr h GLN 86 CO -0.11 0.00 -0.23 0.41 -0.95 0.00 0.00 178.83 177.95 3ixr n GLY 87 N 1.29 0.17 3.77 3.46 0.00 0.35 -4.99 105.19 109.24 3ixr n GLY 87 Ca 0.03 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3ixr n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ixr s PHE 88 N -2.71 2.93 -0.88 1.61 0.08 -0.75 -4.92 117.98 113.33 3ixr s PHE 88 Ca 0.10 1.27 0.18 0.00 0.12 0.00 0.00 56.93 58.60 3ixr s PHE 88 Cb -0.04 -3.79 -0.20 0.00 -0.57 0.00 0.00 43.02 38.41 3ixr s PHE 88 CO 0.12 -2.32 0.79 0.25 -0.10 0.00 0.00 175.22 173.96 3ixr n THR 89 N 1.07 0.00 -3.97 0.64 -2.24 -1.26 -4.89 114.28 103.63 3ixr n THR 89 Ca 0.02 -0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.52 3ixr n THR 89 Cb 0.41 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 3ixr n THR 89 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3ixr s PHE 90 N -2.75 2.97 0.54 4.78 -0.12 -1.26 -5.12 117.98 117.02 3ixr s PHE 90 Ca 0.07 -0.22 -0.07 0.00 -0.05 0.00 0.00 56.93 56.65 3ixr s PHE 90 Cb 0.14 -1.60 -0.03 0.00 -0.63 0.00 0.00 43.02 40.90 3ixr s PHE 90 CO 0.76 0.35 0.88 -2.14 -0.05 0.00 0.00 175.22 175.02 3ixr s PRO 91 N -3.91 3.47 -0.13 1.99 0.02 -1.26 -4.96 135.00 130.22 3ixr s PRO 91 Ca 0.37 0.36 0.02 0.00 0.02 0.00 0.00 61.00 61.77 3ixr s PRO 91 Cb -0.06 -2.26 -0.00 0.00 0.02 0.00 0.00 34.50 32.19 3ixr s PRO 91 CO 0.25 -0.40 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.83 3ixr s LEU 92 N -4.93 2.39 -0.01 -5.54 1.43 -1.26 -2.50 118.68 108.26 3ixr s LEU 92 Ca 0.51 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 3ixr s LEU 92 Cb -0.11 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3ixr s LEU 92 CO 0.48 0.13 1.07 -0.69 0.23 0.00 0.00 176.35 177.57 3ixr s VAL 93 N 0.53 4.57 -0.64 -1.59 1.01 0.21 -0.52 120.40 123.96 3ixr s VAL 93 Ca -0.12 1.85 -0.22 0.00 0.00 0.00 0.00 61.98 63.49 3ixr s VAL 93 Cb -0.16 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.11 3ixr s VAL 93 CO 0.04 0.10 0.92 -0.55 0.00 0.00 0.00 175.10 175.61 3ixr s SER 94 N 1.09 6.18 -1.08 3.32 0.15 0.12 -2.84 113.70 120.65 3ixr s SER 94 Ca 0.54 -1.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.12 3ixr s SER 94 Cb -0.23 -2.40 0.16 0.00 -1.71 0.00 0.00 66.02 61.84 3ixr s SER 94 CO 0.26 -1.37 2.33 -0.67 1.20 0.00 0.00 173.24 174.99 3ixr n ASP 95 N 7.46 7.61 0.01 5.45 4.64 -0.41 -4.30 116.55 136.99 3ixr n ASP 95 Ca -0.05 -3.30 0.12 0.00 -1.38 0.00 0.00 54.79 50.19 3ixr n ASP 95 Cb 0.45 -1.29 0.51 0.00 -1.04 0.00 0.00 41.12 39.75 3ixr n ASP 95 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3ixr n SER 96 N 1.10 0.04 -1.05 1.67 3.41 -1.26 -0.94 113.62 116.60 3ixr n SER 96 Ca 0.57 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.80 3ixr n SER 96 Cb 0.30 -0.52 0.24 0.00 -0.26 0.00 0.00 64.21 63.97 3ixr n SER 96 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ixr n ASP 97 N -1.54 3.14 -1.44 4.04 8.00 -1.26 -4.97 116.55 122.52 3ixr n ASP 97 Ca 0.06 -1.95 -0.19 0.00 0.71 0.00 0.00 54.79 53.42 3ixr n ASP 97 Cb 0.28 -0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 41.09 3ixr n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ixr n ALA 98 N 1.29 -0.29 -0.07 2.24 0.00 -0.11 -4.90 120.51 118.68 3ixr n ALA 98 Ca 0.19 0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 3ixr n ALA 98 Cb 0.56 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 3ixr n ALA 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ixr h ILE 99 N 0.00 1.31 -0.30 0.00 2.04 -1.93 -0.95 117.51 117.67 3ixr h ILE 99 Ca -0.38 -1.15 -0.15 0.00 1.00 0.00 0.00 64.86 64.17 3ixr h ILE 99 Cb 1.24 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 3ixr h ILE 99 CO 0.56 0.35 -0.41 -0.07 0.00 0.00 0.00 178.15 178.58 3ixr h LEU 100 N 0.10 0.79 -0.63 1.44 3.38 -1.90 -1.41 115.31 117.07 3ixr h LEU 100 Ca 0.04 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3ixr h LEU 100 Cb 0.58 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3ixr h LEU 100 CO 0.03 1.10 0.40 0.00 0.09 0.00 0.00 178.44 180.06 3ixr h LYS 102 N 0.81 0.76 -0.64 0.00 1.57 -1.10 -1.18 116.57 116.78 3ixr h LYS 102 Ca 0.25 -0.56 0.07 0.00 -1.87 0.00 0.00 60.65 58.54 3ixr h LYS 102 Cb -0.03 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 3ixr h LYS 102 CO -0.08 1.18 0.33 0.00 -0.57 0.00 0.00 179.45 180.31 3ixr h ALA 103 N 0.68 0.86 -0.02 3.86 0.00 -0.91 -1.66 119.26 122.08 3ixr h ALA 103 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ixr h ALA 103 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ixr h ALA 103 CO 0.14 -0.02 -0.02 1.19 0.00 0.00 0.00 179.25 180.54 3ixr n PHE 104 N -4.84 0.00 -3.43 0.00 3.01 -0.02 -4.66 117.46 107.53 3ixr n PHE 104 Ca 0.08 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.35 3ixr n PHE 104 Cb 0.20 -0.01 0.08 0.00 -0.01 0.00 0.00 39.48 39.74 3ixr n PHE 104 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3ixr n ASP 105 N 0.16 -3.88 -0.80 4.37 2.03 -0.55 -4.56 116.55 113.32 3ixr n ASP 105 Ca 0.18 -0.55 0.10 0.00 0.52 0.00 0.00 54.79 55.04 3ixr n ASP 105 Cb 0.36 -4.82 0.10 0.00 -0.72 0.00 0.00 41.12 36.04 3ixr n ASP 105 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3ixr n VAL 106 N -4.36 0.10 -2.80 5.18 0.24 -0.61 -4.88 118.33 111.20 3ixr n VAL 106 Ca -0.15 -0.55 -0.42 0.00 -2.04 0.00 0.00 64.34 61.18 3ixr n VAL 106 Cb 0.61 1.31 -0.03 0.00 -1.47 0.00 0.00 33.84 34.26 3ixr n VAL 106 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3ixr s ILE 107 N -1.54 4.78 0.11 1.34 -1.09 -1.25 -0.81 121.20 122.73 3ixr s ILE 107 Ca 0.24 1.75 0.01 0.00 -2.23 0.00 0.00 60.65 60.43 3ixr s ILE 107 Cb 0.16 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 3ixr s ILE 107 CO 0.24 -0.11 -0.05 -0.54 -1.23 0.00 0.00 174.94 173.26 3ixr s LYS 108 N 2.94 0.87 -0.20 2.79 -0.14 -0.34 -4.94 119.74 120.71 3ixr s LYS 108 Ca 0.39 -1.37 -0.05 0.00 -1.36 0.00 0.00 55.97 53.58 3ixr s LYS 108 Cb -0.15 -0.16 -0.02 0.00 -1.68 0.00 0.00 37.83 35.81 3ixr s LYS 108 CO 0.07 -0.06 -0.01 -1.21 -0.76 0.00 0.00 175.35 173.38 3ixr s GLU 109 N -3.86 3.54 0.00 1.68 2.02 -1.26 -2.04 118.70 118.77 3ixr s GLU 109 Ca 0.14 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.58 3ixr s GLU 109 Cb 0.06 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.24 3ixr s GLU 109 CO -0.03 -0.04 0.00 1.63 0.02 0.00 0.00 175.26 176.83 3ixr n LYS 110 N 4.39 3.49 0.00 1.61 4.76 -1.13 -5.06 118.16 126.22 3ixr n LYS 110 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3ixr n LYS 110 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 3ixr n LYS 110 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3ixr n THR 111 N 0.00 0.00 -1.01 -0.18 -2.24 -1.26 -4.35 114.28 105.24 3ixr n THR 111 Ca 0.00 0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 61.79 3ixr n THR 111 Cb 0.00 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.47 3ixr n THR 111 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3ixr n MET 112 N -0.52 0.00 0.00 -0.78 2.81 -1.26 -4.83 117.12 112.55 3ixr n MET 112 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3ixr n MET 112 Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 3ixr n MET 112 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3ixr n TYR 113 N 0.28 0.00 -1.61 2.03 4.02 -1.26 -4.34 117.16 116.27 3ixr n TYR 113 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.59 3ixr n TYR 113 Cb 0.14 0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.51 3ixr n TYR 113 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3ixr n GLN 116 N 0.00 2.17 -3.97 -0.72 -0.06 -1.26 -5.31 117.38 108.23 3ixr n GLN 116 Ca 0.00 0.65 -0.34 0.00 -2.00 0.00 0.00 57.00 55.31 3ixr n GLN 116 Cb 0.15 -3.19 -0.14 0.00 -4.06 0.00 0.00 30.24 22.99 3ixr n GLN 116 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3ixr s VAL 117 N 7.47 2.80 -0.13 1.69 1.01 -1.26 -5.09 120.40 126.89 3ixr s VAL 117 Ca 0.98 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3ixr s VAL 117 Cb -0.36 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.59 3ixr s VAL 117 CO 0.37 0.16 -0.20 0.27 0.00 0.00 0.00 175.10 175.70 3ixr s ILE 118 N 1.30 1.89 0.05 2.22 -0.00 -1.26 -2.84 121.20 122.56 3ixr s ILE 118 Ca -0.01 -0.88 -0.07 0.00 -0.00 0.00 0.00 60.65 59.69 3ixr s ILE 118 Cb -0.17 -1.68 0.02 0.00 -0.00 0.00 0.00 42.46 40.63 3ixr s ILE 118 CO -0.05 0.52 0.33 0.61 -0.00 0.00 0.00 174.94 176.35 3ixr n GLY 119 N 4.07 1.03 3.71 6.27 0.00 -0.87 -4.96 105.19 114.44 3ixr n GLY 119 Ca -0.20 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 3ixr n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixr s ILE 120 N -2.38 4.16 -0.23 -0.61 1.01 -1.26 -1.20 121.20 120.68 3ixr s ILE 120 Ca 0.07 1.54 -0.25 0.00 0.00 0.00 0.00 60.65 62.01 3ixr s ILE 120 Cb -0.01 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.47 3ixr s ILE 120 CO 0.02 0.11 0.87 -0.70 0.00 0.00 0.00 174.94 175.23 3ixr s GLU 121 N 1.18 4.21 -0.06 2.79 2.12 0.01 -4.44 118.70 124.52 3ixr s GLU 121 Ca 0.58 1.02 -0.34 0.00 0.36 0.00 0.00 54.97 56.59 3ixr s GLU 121 Cb -0.28 -3.64 -0.12 0.00 0.26 0.00 0.00 34.13 30.35 3ixr s GLU 121 CO 0.28 -0.52 1.83 -2.13 -0.54 0.00 0.00 175.26 174.18 3ixr n ARG 122 N 5.97 2.13 -3.72 4.30 0.63 -1.26 -4.78 116.66 119.93 3ixr n ARG 122 Ca 0.07 0.78 -0.14 0.00 -0.92 0.00 0.00 57.85 57.63 3ixr n ARG 122 Cb 0.47 -2.60 -0.08 0.00 0.45 0.00 0.00 32.46 30.70 3ixr n ARG 122 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3ixr s SER 123 N 3.55 -0.31 0.00 6.15 0.01 -1.00 -0.88 113.70 121.22 3ixr s SER 123 Ca 0.91 0.32 0.01 0.00 1.31 0.00 0.00 55.95 58.50 3ixr s SER 123 Cb -0.71 0.44 -0.00 0.00 0.21 0.00 0.00 66.02 65.96 3ixr s SER 123 CO 0.50 -0.42 -0.03 -0.89 0.41 0.00 0.00 173.24 172.81 3ixr s THR 124 N -1.03 0.22 -0.04 1.44 2.01 0.05 0.62 115.64 118.90 3ixr s THR 124 Ca -0.11 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.77 3ixr s THR 124 Cb -0.04 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 3ixr s THR 124 CO 0.05 0.03 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.44 3ixr s PHE 125 N -0.16 1.95 -0.33 4.92 0.40 0.01 -0.03 117.98 124.74 3ixr s PHE 125 Ca 0.00 -0.52 -0.11 0.00 -0.60 0.00 0.00 56.93 55.70 3ixr s PHE 125 Cb -0.02 -1.29 -0.00 0.00 0.51 0.00 0.00 43.02 42.22 3ixr s PHE 125 CO -0.00 -0.15 0.18 -1.17 0.70 0.00 0.00 175.22 174.78 3ixr s LEU 126 N -0.15 4.30 -0.21 -0.37 2.96 0.23 -1.23 118.68 124.22 3ixr s LEU 126 Ca -0.01 -0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 3ixr s LEU 126 Cb -0.11 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3ixr s LEU 126 CO 0.02 -0.23 0.06 -0.63 -1.32 0.00 0.00 176.35 174.25 3ixr s ILE 127 N 1.63 4.60 0.80 6.68 1.01 0.48 -0.38 121.20 136.03 3ixr s ILE 127 Ca 0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.48 3ixr s ILE 127 Cb -0.17 -3.10 0.18 0.00 0.01 0.00 0.00 42.46 39.38 3ixr s ILE 127 CO 0.07 0.41 1.09 0.61 0.00 0.00 0.00 174.94 177.13 3ixr n GLY 128 N 4.03 -1.18 0.24 6.18 0.00 0.04 -0.90 105.19 113.60 3ixr n GLY 128 Ca -0.16 -1.74 0.16 0.00 0.00 0.00 0.00 46.02 44.27 3ixr n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ixr h PRO 129 N 0.00 0.00 -0.39 1.61 0.13 -1.87 -0.77 132.00 130.71 3ixr h PRO 129 Ca -0.35 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 3ixr h PRO 129 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3ixr h PRO 129 CO 0.26 0.00 0.02 0.25 -0.23 0.00 0.00 178.00 178.30 3ixr n THR 130 N -2.90 2.50 -1.21 1.56 -2.24 -1.26 -0.88 114.28 109.85 3ixr n THR 130 Ca 0.01 -1.76 -0.03 0.00 -2.27 0.00 0.00 64.05 60.00 3ixr n THR 130 Cb 0.32 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.27 3ixr n THR 130 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ixr n HIS 131 N -0.17 -0.02 -3.69 4.78 8.25 -0.29 -4.87 115.22 119.21 3ixr n HIS 131 Ca 0.25 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.41 3ixr n HIS 131 Cb 1.03 -1.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 3ixr n HIS 131 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3ixr s ARG 132 N -2.50 3.58 -0.17 -0.41 0.52 -1.26 -1.06 118.95 117.66 3ixr s ARG 132 Ca 0.00 -0.16 -0.29 0.00 -0.52 0.00 0.00 55.73 54.75 3ixr s ARG 132 Cb 0.00 -2.86 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 3ixr s ARG 132 CO 0.00 0.46 1.28 0.42 0.02 0.00 0.00 175.30 177.48 3ixr s ILE 133 N -1.70 4.25 -0.25 1.52 -1.09 0.05 -0.78 121.20 123.20 3ixr s ILE 133 Ca 0.40 1.50 0.04 0.00 -2.23 0.00 0.00 60.65 60.36 3ixr s ILE 133 Cb -0.12 -3.99 -0.18 0.00 -1.58 0.00 0.00 42.46 36.60 3ixr s ILE 133 CO 0.26 -0.15 -0.18 0.52 -1.23 0.00 0.00 174.94 174.15 3ixr n VAL 134 N 5.43 1.45 -3.98 2.92 0.31 0.49 -0.66 118.33 124.29 3ixr n VAL 134 Ca 0.14 -0.60 -0.10 0.00 -0.01 0.00 0.00 64.34 63.78 3ixr n VAL 134 Cb 0.45 -1.27 -0.11 0.00 -0.91 0.00 0.00 33.84 31.99 3ixr n VAL 134 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3ixr s GLU 135 N -2.51 0.30 -0.13 5.55 0.41 -1.11 -4.85 118.70 116.36 3ixr s GLU 135 Ca -0.31 -0.57 -0.04 0.00 -0.41 0.00 0.00 54.97 53.64 3ixr s GLU 135 Cb 0.08 0.07 0.06 0.00 -1.78 0.00 0.00 34.13 32.56 3ixr s GLU 135 CO 0.62 -0.04 0.11 0.00 -0.49 0.00 0.00 175.26 175.46 3ixr s ALA 136 N -1.33 0.20 -0.19 5.21 0.00 -1.26 -0.60 121.76 123.79 3ixr s ALA 136 Ca -0.14 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 3ixr s ALA 136 Cb -0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 3ixr s ALA 136 CO -0.01 -0.94 0.05 -1.58 0.00 0.00 0.00 175.76 173.28 3ixr s TRP 137 N 2.19 3.19 0.23 0.00 0.51 0.95 -4.98 118.94 121.03 3ixr s TRP 137 Ca 0.04 -0.05 0.11 0.00 -2.12 0.00 0.00 56.10 54.07 3ixr s TRP 137 Cb -0.15 -2.09 -0.05 0.00 -0.81 0.00 0.00 33.47 30.38 3ixr s TRP 137 CO -0.08 0.05 -0.17 1.03 -0.51 0.00 0.00 176.95 177.27 3ixr s ARG 138 N 0.57 1.76 -1.37 4.98 0.52 -1.26 -0.77 118.95 123.38 3ixr s ARG 138 Ca 0.02 -1.55 -0.04 0.00 -0.52 0.00 0.00 55.73 53.65 3ixr s ARG 138 Cb -0.13 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.45 3ixr s ARG 138 CO 0.01 0.38 0.78 1.04 0.02 0.00 0.00 175.30 177.53 3ixr n GLN 139 N -0.20 -5.13 -1.94 3.54 6.02 -0.86 -4.85 117.38 113.96 3ixr n GLN 139 Ca -0.09 0.62 -0.41 0.00 -0.01 0.00 0.00 57.00 57.11 3ixr n GLN 139 Cb 0.58 -5.27 -0.02 0.00 1.02 0.00 0.00 30.24 26.55 3ixr n GLN 139 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ixr s VAL 140 N -3.57 2.44 -0.17 5.09 1.01 -0.06 -5.00 120.40 120.14 3ixr s VAL 140 Ca 0.19 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 3ixr s VAL 140 Cb -0.09 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3ixr s VAL 140 CO 0.82 0.07 0.37 -1.59 0.00 0.00 0.00 175.10 174.76 3ixr s LYS 141 N -0.87 4.24 0.02 2.72 0.00 -1.26 -4.84 119.74 119.75 3ixr s LYS 141 Ca 0.58 0.20 -0.25 0.00 0.00 0.00 0.00 55.97 56.50 3ixr s LYS 141 Cb -0.44 -3.47 -0.18 0.00 0.00 0.00 0.00 37.83 33.75 3ixr s LYS 141 CO 0.49 0.12 1.41 0.28 0.00 0.00 0.00 175.35 177.65 3ixr h VAL 142 N 4.83 1.04 -2.86 1.79 2.07 -1.94 -3.38 116.25 117.80 3ixr h VAL 142 Ca -0.39 -0.61 -0.53 0.00 0.82 0.00 0.00 66.70 65.99 3ixr h VAL 142 Cb 1.17 1.43 0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3ixr h VAL 142 CO 0.74 0.15 0.85 -2.84 0.02 0.00 0.00 177.57 176.49 3ixr s PRO 143 N -5.01 4.26 0.00 1.57 0.02 -1.26 -1.56 135.00 133.01 3ixr s PRO 143 Ca -0.15 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.07 3ixr s PRO 143 Cb 0.03 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3ixr s PRO 143 CO 0.63 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 177.14 3ixr n GLY 144 N 3.71 0.89 0.08 0.52 0.00 -1.26 -4.94 105.19 104.18 3ixr n GLY 144 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3ixr n GLY 144 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ixr h HIS 145 N 0.00 0.14 -0.84 1.61 6.17 -1.47 -1.19 115.15 119.57 3ixr h HIS 145 Ca 0.00 -0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.17 3ixr h HIS 145 Cb 0.00 -0.04 -0.07 0.00 2.52 0.00 0.00 27.41 29.81 3ixr h HIS 145 CO 0.00 0.24 0.48 0.00 0.71 0.00 0.00 177.93 179.36 3ixr h ALA 146 N 0.89 1.21 -0.37 5.26 0.00 -1.90 -0.31 119.26 124.03 3ixr h ALA 146 Ca 0.03 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3ixr h ALA 146 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ixr h ALA 146 CO -0.00 0.10 -0.11 1.49 0.00 0.00 0.00 179.25 180.73 3ixr h GLU 147 N 0.80 0.65 -0.75 0.00 4.81 -1.82 -1.03 114.58 117.25 3ixr h GLU 147 Ca 0.41 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3ixr h GLU 147 Cb 0.38 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 3ixr h GLU 147 CO -0.25 0.75 0.42 1.49 -0.73 0.00 0.00 179.01 180.69 3ixr h GLU 148 N 0.60 1.04 -0.24 1.92 4.81 -0.01 -0.13 114.58 122.58 3ixr h GLU 148 Ca 0.11 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3ixr h GLU 148 Cb 0.54 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3ixr h GLU 148 CO 0.03 0.77 0.16 0.28 -0.73 0.00 0.00 179.01 179.52 3ixr h VAL 149 N 1.04 1.06 -0.29 0.32 2.07 -0.48 -0.95 116.25 119.02 3ixr h VAL 149 Ca 0.27 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3ixr h VAL 149 Cb 0.02 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3ixr h VAL 149 CO -0.04 0.06 0.07 0.25 0.02 0.00 0.00 177.57 177.93 3ixr h LEU 150 N 0.33 0.05 -0.73 2.57 5.85 -1.01 -1.27 115.31 121.09 3ixr h LEU 150 Ca 0.09 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3ixr h LEU 150 Cb -0.04 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3ixr h LEU 150 CO -0.02 0.06 -0.21 0.78 -0.34 0.00 0.00 178.44 178.71 3ixr h ASN 151 N 0.19 0.75 -0.69 1.25 2.35 -0.87 -1.36 115.58 117.20 3ixr h ASN 151 Ca 0.13 -0.26 0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3ixr h ASN 151 Cb 0.13 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 3ixr h ASN 151 CO -0.16 0.95 0.42 0.50 -1.65 0.00 0.00 177.43 177.48 3ixr h LYS 152 N 0.65 0.78 -0.68 0.81 1.63 -0.81 1.00 116.57 119.95 3ixr h LYS 152 Ca 0.09 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3ixr h LYS 152 Cb 0.71 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.13 3ixr h LYS 152 CO 0.05 0.51 0.36 1.25 -3.45 0.00 0.00 179.45 178.18 3ixr h LEU 153 N 0.80 0.86 -1.05 5.20 5.85 -0.88 -1.65 115.31 124.45 3ixr h LEU 153 Ca 0.29 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3ixr h LEU 153 Cb 0.08 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3ixr h LEU 153 CO -0.13 0.72 0.27 0.11 -0.34 0.00 0.00 178.44 179.07 3ixr h LYS 154 N 0.94 0.95 -0.43 1.25 1.57 -1.07 -0.27 116.57 119.51 3ixr h LYS 154 Ca 0.24 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 3ixr h LYS 154 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3ixr h LYS 154 CO -0.04 0.77 -0.16 0.00 -0.57 0.00 0.00 179.45 179.45 3ixr h ALA 155 N 1.36 0.91 -0.45 3.86 0.00 -0.28 -1.80 119.26 122.86 3ixr h ALA 155 Ca 0.22 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3ixr h ALA 155 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ixr h ALA 155 CO -0.02 0.62 -0.21 0.45 0.00 0.00 0.00 179.25 180.10 3ixr h HIS 156 N 0.72 1.03 0.00 0.00 3.86 -0.52 -2.56 115.15 117.67 3ixr h HIS 156 Ca 0.11 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3ixr h HIS 156 Cb 0.67 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.89 3ixr h HIS 156 CO 0.04 1.02 0.00 0.00 0.86 0.00 0.00 177.93 179.85 3ixr n ALA 157 N -2.51 1.41 0.00 2.45 0.00 -0.19 -5.11 120.51 116.57 3ixr n ALA 157 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3ixr n ALA 157 Cb 0.44 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3ixr n ALA 157 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89