#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkb n GLU 3 N 0.00 -1.01 -3.15 5.56 4.71 -1.05 -4.65 120.64 121.05 3hkb n GLU 3 Ca 0.00 -1.33 0.05 0.00 -0.01 0.00 0.00 57.16 55.87 3hkb n GLU 3 Cb 0.00 -0.92 -0.01 0.00 -1.01 0.00 0.00 31.44 29.50 3hkb n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hkb s ILE 5 N 2.95 5.20 0.10 0.00 1.01 -0.98 -4.69 121.20 124.79 3hkb s ILE 5 Ca 0.04 0.59 -0.25 0.00 0.00 0.00 0.00 60.65 61.03 3hkb s ILE 5 Cb -0.09 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 3hkb s ILE 5 CO -0.13 0.21 0.78 -0.44 0.00 0.00 0.00 174.94 175.35 3hkb s SER 6 N 1.37 7.30 -0.13 3.58 0.01 -0.38 -1.02 113.70 124.44 3hkb s SER 6 Ca 0.16 1.55 0.01 0.00 1.31 0.00 0.00 55.95 58.98 3hkb s SER 6 Cb -0.15 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.61 3hkb s SER 6 CO 0.09 0.11 -0.15 -0.63 0.41 0.00 0.00 173.24 173.06 3hkb s ILE 7 N -0.58 1.54 -0.24 1.44 1.01 -0.20 -1.32 121.20 122.84 3hkb s ILE 7 Ca 0.37 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 3hkb s ILE 7 Cb -0.22 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.83 3hkb s ILE 7 CO 0.25 0.45 -0.02 -1.00 0.00 0.00 0.00 174.94 174.62 3hkb s HIS 8 N 1.21 3.03 -0.19 3.97 3.76 0.32 -1.07 115.29 126.32 3hkb s HIS 8 Ca -0.01 -1.10 -0.03 0.00 -0.15 0.00 0.00 55.06 53.77 3hkb s HIS 8 Cb -0.14 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 31.41 3hkb s HIS 8 CO -0.06 -0.60 -0.06 0.54 -0.85 0.00 0.00 174.74 173.72 3hkb s VAL 9 N 1.45 3.39 0.13 -0.90 0.11 -0.95 0.07 120.40 123.69 3hkb s VAL 9 Ca 0.04 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 3hkb s VAL 9 Cb -0.16 -2.51 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 3hkb s VAL 9 CO -0.02 0.45 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 3hkb n GLY 10 N 4.37 -4.64 0.00 6.54 0.00 0.19 -3.66 105.19 107.99 3hkb n GLY 10 Ca -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3hkb n GLY 10 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hkb n GLN 11 N 1.04 0.00 -0.07 1.61 7.27 -1.26 0.40 117.38 126.37 3hkb n GLN 11 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 3hkb n GLN 11 Cb 0.00 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.56 3hkb n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hkb h ALA 12 N 0.00 -0.81 -0.43 1.69 0.00 -1.98 0.47 119.26 118.20 3hkb h ALA 12 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3hkb h ALA 12 Cb 0.00 1.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3hkb h ALA 12 CO 0.00 -1.06 0.10 0.78 0.00 0.00 0.00 179.25 179.07 3hkb h GLY 13 N -0.49 0.52 0.69 0.00 0.00 -0.12 0.59 103.07 104.26 3hkb h GLY 13 Ca 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.37 3hkb h GLY 13 CO -0.51 -0.04 -0.14 -2.08 0.00 0.00 0.00 176.54 173.77 3hkb h VAL 14 N 0.23 0.66 -0.30 4.60 2.07 -1.29 -1.05 116.25 121.18 3hkb h VAL 14 Ca 0.21 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.61 3hkb h VAL 14 Cb 0.25 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3hkb h VAL 14 CO -0.26 0.00 -0.31 1.56 0.02 0.00 0.00 177.57 178.58 3hkb h GLN 15 N -0.26 0.62 -0.21 1.57 4.20 0.23 0.50 115.11 121.76 3hkb h GLN 15 Ca 0.04 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 3hkb h GLN 15 Cb 0.30 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3hkb h GLN 15 CO -0.11 0.85 0.13 0.82 -0.67 0.00 0.00 178.83 179.85 3hkb h ILE 16 N 0.53 1.08 0.58 2.54 5.03 -0.81 -2.58 117.51 123.88 3hkb h ILE 16 Ca 0.06 -0.20 -0.02 0.00 -0.12 0.00 0.00 64.86 64.58 3hkb h ILE 16 Cb 0.79 0.83 -0.00 0.00 -3.03 0.00 0.00 36.82 35.41 3hkb h ILE 16 CO 0.06 0.08 -0.34 1.23 -0.68 0.00 0.00 178.15 178.51 3hkb h GLY 17 N 0.26 -0.92 -1.70 5.37 0.00 -0.52 -1.90 103.07 103.66 3hkb h GLY 17 Ca 0.08 0.37 0.52 0.00 0.00 0.00 0.00 47.33 48.30 3hkb h GLY 17 CO -0.01 -0.33 1.18 -2.01 0.00 0.00 0.00 176.54 175.37 3hkb n ASN 18 N -5.48 0.07 -0.38 0.19 5.15 0.17 -0.44 115.26 114.54 3hkb n ASN 18 Ca -0.12 1.09 0.11 0.00 -0.60 0.00 0.00 54.58 55.05 3hkb n ASN 18 Cb 0.37 -0.54 -0.03 0.00 -0.53 0.00 0.00 39.78 39.05 3hkb n ASN 18 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hkb n ALA 19 N -2.76 3.83 0.04 5.20 0.00 -0.76 -3.44 120.51 122.62 3hkb n ALA 19 Ca 0.41 -0.63 0.04 0.00 0.00 0.00 0.00 53.44 53.26 3hkb n ALA 19 Cb 1.78 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 20.39 3hkb n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkb h TRP 21 N 0.00 0.45 -0.73 0.00 4.06 -1.14 0.40 115.95 118.99 3hkb h TRP 21 Ca 0.00 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 3hkb h TRP 21 Cb 0.36 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.38 3hkb h TRP 21 CO 0.00 0.66 0.37 1.05 -3.56 0.00 0.00 178.44 176.96 3hkb h GLU 22 N 0.34 1.03 -0.00 0.49 4.11 -1.77 -0.25 114.58 118.53 3hkb h GLU 22 Ca 0.05 -0.13 -0.24 0.00 0.07 0.00 0.00 59.36 59.11 3hkb h GLU 22 Cb 0.71 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.77 3hkb h GLU 22 CO 0.05 0.78 -0.97 1.25 0.07 0.00 0.00 179.01 180.19 3hkb h LEU 23 N 1.03 0.66 -0.47 3.06 6.46 -1.57 -1.62 115.31 122.86 3hkb h LEU 23 Ca 0.25 -0.53 -0.00 0.00 -0.12 0.00 0.00 57.88 57.49 3hkb h LEU 23 Cb 0.07 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 3hkb h LEU 23 CO -0.04 1.33 0.29 1.88 -0.62 0.00 0.00 178.44 181.28 3hkb h TYR 24 N 0.29 0.61 -0.74 1.25 0.99 -0.03 0.07 116.97 119.41 3hkb h TYR 24 Ca -0.09 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.66 3hkb h TYR 24 Cb 1.61 -0.20 -0.04 0.00 1.00 0.00 0.00 36.73 39.10 3hkb h TYR 24 CO 0.07 0.42 0.48 0.00 -0.00 0.00 0.00 178.16 179.13 3hkb h LEU 26 N 0.97 0.47 -0.50 0.00 4.07 -0.92 -0.86 115.31 118.53 3hkb h LEU 26 Ca 0.28 -0.13 -0.14 0.00 0.08 0.00 0.00 57.88 57.98 3hkb h LEU 26 Cb -0.06 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 3hkb h LEU 26 CO -0.08 0.65 -0.29 -0.08 -1.08 0.00 0.00 178.44 177.56 3hkb h GLU 27 N 0.44 0.92 -0.61 1.13 4.81 -0.09 -3.29 114.58 117.89 3hkb h GLU 27 Ca 0.08 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3hkb h GLU 27 Cb 0.53 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3hkb h GLU 27 CO 0.03 1.08 0.00 0.72 -0.73 0.00 0.00 179.01 180.11 3hkb n HIS 28 N -4.09 0.81 -1.18 0.92 8.25 -0.42 -4.95 115.22 114.57 3hkb n HIS 28 Ca -0.01 -0.47 -0.06 0.00 -0.26 0.00 0.00 57.72 56.92 3hkb n HIS 28 Cb 0.49 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 3hkb n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hkb n GLY 29 N 1.38 0.81 3.62 -1.41 0.00 -0.71 -4.97 105.19 103.92 3hkb n GLY 29 Ca 0.21 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3hkb n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkb s ILE 30 N -2.06 4.69 0.55 -0.61 1.01 -0.41 -4.62 121.20 119.75 3hkb s ILE 30 Ca 0.00 1.42 -0.20 0.00 0.00 0.00 0.00 60.65 61.87 3hkb s ILE 30 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 3hkb s ILE 30 CO 0.00 -0.33 1.17 -1.10 0.00 0.00 0.00 174.94 174.68 3hkb s GLN 31 N 3.22 3.26 0.55 2.79 -0.21 -0.90 -4.51 119.66 123.85 3hkb s GLN 31 Ca 0.38 1.73 0.41 0.00 0.02 0.00 0.00 55.36 57.90 3hkb s GLN 31 Cb -0.13 -2.03 1.61 0.00 1.00 0.00 0.00 33.01 33.45 3hkb s GLN 31 CO 0.13 -0.95 1.73 -1.35 -2.12 0.00 0.00 175.29 172.72 3hkb h PRO 32 N 1.20 0.00 0.00 2.91 0.11 -1.96 0.29 132.00 134.56 3hkb h PRO 32 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hkb h PRO 32 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hkb h PRO 32 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 3hkb n ASP 33 N -4.11 0.00 0.00 -2.05 5.75 -1.26 -3.23 116.55 111.65 3hkb n ASP 33 Ca 0.32 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 3hkb n ASP 33 Cb 1.51 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 41.46 3hkb n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hkb n GLY 34 N 0.75 2.97 3.79 6.12 0.00 0.10 -4.65 105.19 114.27 3hkb n GLY 34 Ca 0.16 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3hkb n GLY 34 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hkb s GLN 35 N 0.00 4.24 -0.09 1.61 1.03 -1.25 -2.67 119.66 122.53 3hkb s GLN 35 Ca 0.00 1.39 -0.03 0.00 0.04 0.00 0.00 55.36 56.76 3hkb s GLN 35 Cb 0.00 -2.51 0.05 0.00 0.03 0.00 0.00 33.01 30.58 3hkb s GLN 35 CO 0.00 -0.05 0.15 0.00 -2.54 0.00 0.00 175.29 172.85 3hkb s MET 36 N -2.57 0.03 -1.13 9.60 0.23 -1.26 -2.13 119.30 122.08 3hkb s MET 36 Ca 0.57 0.49 -0.09 0.00 -1.03 0.00 0.00 55.69 55.63 3hkb s MET 36 Cb -0.19 -0.43 0.27 0.00 -1.53 0.00 0.00 34.83 32.95 3hkb s MET 36 CO 0.24 -0.35 1.18 -0.35 -2.03 0.00 0.00 175.02 173.70 3hkb n PRO 37 N 5.32 3.55 0.00 3.16 -0.05 -1.26 -5.04 135.00 140.68 3hkb n PRO 37 Ca -0.05 -4.38 0.00 0.00 -0.05 0.00 0.00 63.50 59.03 3hkb n PRO 37 Cb 0.50 -2.62 0.00 0.00 -0.05 0.00 0.00 33.50 31.33 3hkb n PRO 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 3hkb n ASP 47 N 3.03 0.00 0.00 3.54 4.64 -1.26 -5.16 116.55 121.34 3hkb n ASP 47 Ca 0.26 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.67 3hkb n ASP 47 Cb 0.39 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.47 3hkb n ASP 47 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3hkb n SER 48 N 0.00 0.00 -0.01 1.67 2.88 -1.26 -3.80 113.62 113.10 3hkb n SER 48 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 3hkb n SER 48 Cb 0.00 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 63.92 3hkb n SER 48 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 3hkb n PHE 49 N 0.00 0.00 0.28 0.66 1.16 -1.10 -3.60 117.46 114.86 3hkb n PHE 49 Ca 0.00 -0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.73 3hkb n PHE 49 Cb 0.00 0.00 0.74 0.00 -1.61 0.00 0.00 39.48 38.61 3hkb n PHE 49 CO 0.00 0.00 0.00 -0.97 -1.87 0.00 0.00 176.76 173.92 3hkb h ASN 50 N 0.04 0.00 0.43 5.98 -0.00 -1.79 -2.74 115.58 117.50 3hkb h ASN 50 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3hkb h ASN 50 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.33 3hkb h ASN 50 CO 0.00 0.00 -0.02 0.71 -0.00 0.00 0.00 177.43 178.12 3hkb h THR 51 N 0.00 0.08 0.00 -3.57 1.35 -1.82 -3.28 112.91 105.67 3hkb h THR 51 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3hkb h THR 51 Cb 0.16 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3hkb h THR 51 CO 0.00 0.02 -0.86 0.49 -0.25 0.00 0.00 175.52 174.91 3hkb n PHE 52 N -3.17 0.00 -4.80 4.73 3.01 -1.05 -2.31 117.46 113.87 3hkb n PHE 52 Ca -0.02 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.14 3hkb n PHE 52 Cb 0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.51 3hkb n PHE 52 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3hkb s PHE 53 N -1.80 2.47 -0.16 1.38 0.40 -1.10 -0.48 117.98 118.69 3hkb s PHE 53 Ca 0.00 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.98 3hkb s PHE 53 Cb 0.00 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 3hkb s PHE 53 CO 0.00 0.19 -0.05 -1.54 0.70 0.00 0.00 175.22 174.51 3hkb s SER 54 N -1.27 4.64 -0.84 1.36 1.04 -0.23 -4.49 113.70 113.91 3hkb s SER 54 Ca 0.13 -0.18 -0.25 0.00 0.48 0.00 0.00 55.95 56.13 3hkb s SER 54 Cb -0.10 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.26 3hkb s SER 54 CO 0.03 0.15 1.70 -1.83 0.98 0.00 0.00 173.24 174.28 3hkb s GLU 55 N 0.44 2.92 -0.12 4.02 1.03 -1.26 -3.50 118.70 122.23 3hkb s GLU 55 Ca -0.05 -0.27 -0.13 0.00 0.03 0.00 0.00 54.97 54.56 3hkb s GLU 55 Cb -0.15 -4.84 -0.05 0.00 -0.80 0.00 0.00 34.13 28.30 3hkb s GLU 55 CO 0.03 -2.75 0.28 0.95 -1.33 0.00 0.00 175.26 172.44 3hkb s THR 56 N 7.94 5.29 0.00 1.83 -4.23 -1.26 -4.96 115.64 120.25 3hkb s THR 56 Ca 0.58 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.62 3hkb s THR 56 Cb -0.07 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.17 3hkb s THR 56 CO 0.05 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 3hkb n GLY 57 N 2.81 0.92 3.16 3.99 0.00 -1.26 -3.68 105.19 111.13 3hkb n GLY 57 Ca -0.14 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 3hkb n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkb s ALA 58 N -1.79 3.26 0.00 4.61 0.00 -1.26 -4.68 121.76 121.89 3hkb s ALA 58 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 51.96 49.43 3hkb s ALA 58 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3hkb s ALA 58 CO 0.00 -1.84 0.00 0.41 0.00 0.00 0.00 175.76 174.33 3hkb n GLY 59 N 4.73 4.22 3.91 0.00 0.00 -1.26 -5.13 105.19 111.65 3hkb n GLY 59 Ca -0.05 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 3hkb n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hkb s LYS 60 N 0.00 0.91 0.00 1.61 2.20 -1.24 -4.19 119.74 119.03 3hkb s LYS 60 Ca 0.00 -0.26 0.05 0.00 -0.36 0.00 0.00 55.97 55.39 3hkb s LYS 60 Cb 0.00 -1.86 0.08 0.00 -1.51 0.00 0.00 37.83 34.54 3hkb s LYS 60 CO 0.00 -2.25 0.88 0.72 -0.36 0.00 0.00 175.35 174.34 3hkb n HIS 61 N -3.69 0.00 -0.34 4.03 8.25 -1.09 -4.02 115.22 118.37 3hkb n HIS 61 Ca 0.13 -0.28 -0.13 0.00 -0.26 0.00 0.00 57.72 57.19 3hkb n HIS 61 Cb 0.60 0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.91 3hkb n HIS 61 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3hkb n VAL 62 N 0.09 0.16 -2.25 1.59 3.14 -1.23 -4.15 118.33 115.70 3hkb n VAL 62 Ca -0.09 -0.04 -0.39 0.00 -2.96 0.00 0.00 64.34 60.86 3hkb n VAL 62 Cb 0.73 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.49 3hkb n VAL 62 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3hkb s PRO 63 N -0.08 4.14 -1.28 1.45 0.02 -1.26 -1.06 135.00 136.92 3hkb s PRO 63 Ca 0.19 1.94 -0.19 0.00 0.02 0.00 0.00 61.00 62.96 3hkb s PRO 63 Cb -0.27 -2.79 0.03 0.00 0.02 0.00 0.00 34.50 31.49 3hkb s PRO 63 CO 0.13 -0.28 1.81 0.54 -0.33 0.00 0.00 177.00 178.88 3hkb n ARG 64 N 0.29 2.81 -3.85 5.54 5.12 0.37 -4.85 116.66 122.10 3hkb n ARG 64 Ca 0.03 -3.04 -0.11 0.00 -1.93 0.00 0.00 57.85 52.80 3hkb n ARG 64 Cb 0.45 -3.52 -0.09 0.00 -1.16 0.00 0.00 32.46 28.14 3hkb n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hkb s ALA 65 N 5.60 -0.39 -0.03 7.54 0.00 -1.26 -1.25 121.76 131.98 3hkb s ALA 65 Ca 0.57 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.42 3hkb s ALA 65 Cb 0.04 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 3hkb s ALA 65 CO 0.08 -0.29 -0.18 0.14 0.00 0.00 0.00 175.76 175.51 3hkb s VAL 66 N -1.98 1.49 -0.22 0.00 -7.23 -0.44 -4.83 120.40 107.19 3hkb s VAL 66 Ca -0.10 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 3hkb s VAL 66 Cb -0.04 -1.26 0.01 0.00 0.56 0.00 0.00 36.38 35.66 3hkb s VAL 66 CO -0.01 0.42 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.76 3hkb s PHE 67 N -0.24 2.97 -0.12 2.82 0.40 0.06 -0.52 117.98 123.35 3hkb s PHE 67 Ca 0.02 -1.39 0.02 0.00 -0.60 0.00 0.00 56.93 54.98 3hkb s PHE 67 Cb -0.09 -2.04 0.02 0.00 0.51 0.00 0.00 43.02 41.41 3hkb s PHE 67 CO 0.01 -0.69 -0.16 0.14 0.70 0.00 0.00 175.22 175.22 3hkb s VAL 68 N 1.36 1.57 0.10 -0.44 -7.23 0.11 0.62 120.40 116.49 3hkb s VAL 68 Ca 0.03 -0.67 0.04 0.00 -1.81 0.00 0.00 61.98 59.56 3hkb s VAL 68 Cb -0.15 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 3hkb s VAL 68 CO -0.06 0.45 -0.10 -0.62 -0.31 0.00 0.00 175.10 174.46 3hkb s ASP 69 N 1.06 1.47 0.15 4.85 3.68 -0.30 0.57 116.67 128.14 3hkb s ASP 69 Ca -0.05 -0.81 0.18 0.00 2.13 0.00 0.00 52.55 54.00 3hkb s ASP 69 Cb -0.15 0.01 -0.05 0.00 -1.45 0.00 0.00 42.92 41.28 3hkb s ASP 69 CO -0.03 -0.26 1.01 -0.07 0.13 0.00 0.00 175.17 175.95 3hkb h LEU 70 N 3.56 0.00-10.15 -1.34 4.07 -1.87 -2.24 115.31 107.35 3hkb h LEU 70 Ca -0.37 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.08 3hkb h LEU 70 Cb 1.19 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 3hkb h LEU 70 CO 0.53 0.42 -0.08 -1.83 -1.08 0.00 0.00 178.44 176.39 3hkb s GLU 71 N -3.04 3.62 0.00 1.13 -1.05 -1.25 -1.79 118.70 116.32 3hkb s GLU 71 Ca -0.01 0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 3hkb s GLU 71 Cb 0.08 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 31.19 3hkb s GLU 71 CO 0.79 0.12 0.01 -2.30 0.95 0.00 0.00 175.26 174.83 3hkb n PRO 72 N -1.24 0.00 0.00 -4.83 -0.02 -1.26 -4.23 135.00 123.41 3hkb n PRO 72 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3hkb n PRO 72 Cb 0.54 -0.38 0.00 0.00 -0.02 0.00 0.00 33.50 33.64 3hkb n PRO 72 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3hkb n THR 73 N -0.01 0.00 0.03 3.45 -1.04 -1.26 -2.23 114.28 113.22 3hkb n THR 73 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3hkb n THR 73 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 3hkb n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3hkb h VAL 74 N 0.00 1.03 0.00 12.58 2.07 -2.01 -2.46 116.25 127.46 3hkb h VAL 74 Ca 0.00 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 3hkb h VAL 74 Cb 0.00 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3hkb h VAL 74 CO 0.00 0.26 -0.10 0.40 0.02 0.00 0.00 177.57 178.16 3hkb h ILE 75 N -0.79 1.05 -0.65 4.57 1.08 -1.73 -2.01 117.51 119.02 3hkb h ILE 75 Ca -0.02 -0.33 -0.05 0.00 -0.39 0.00 0.00 64.86 64.07 3hkb h ILE 75 Cb 0.55 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 3hkb h ILE 75 CO 0.03 0.09 0.20 0.44 -0.69 0.00 0.00 178.15 178.22 3hkb h ASP 76 N 0.00 0.92 0.04 1.72 5.19 -1.59 -2.50 116.42 120.19 3hkb h ASP 76 Ca -0.00 -0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.19 3hkb h ASP 76 Cb 0.17 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 3hkb h ASP 76 CO 0.01 0.86 -0.17 -0.33 -3.12 0.00 0.00 179.24 176.49 3hkb h GLU 77 N 0.95 0.27 -0.52 3.56 3.07 -0.88 -2.73 114.58 118.31 3hkb h GLU 77 Ca 0.21 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 3hkb h GLU 77 Cb 0.27 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3hkb h GLU 77 CO -0.01 0.45 0.25 0.28 -1.40 0.00 0.00 179.01 178.58 3hkb h VAL 78 N 0.25 1.20 -0.14 3.13 2.07 -1.32 -2.81 116.25 118.63 3hkb h VAL 78 Ca 0.05 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3hkb h VAL 78 Cb 0.46 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3hkb h VAL 78 CO 0.03 0.22 0.02 -2.11 0.02 0.00 0.00 177.57 175.75 3hkb n ARG 79 N -4.59 1.73 0.00 1.57 1.85 -1.04 -3.63 116.66 112.55 3hkb n ARG 79 Ca 0.02 -0.66 0.00 0.00 -1.00 0.00 0.00 57.85 56.21 3hkb n ARG 79 Cb 0.12 -1.59 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 3hkb n ARG 79 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3hkb n THR 80 N 0.14 0.00 -5.14 8.89 -1.04 -1.08 -4.94 114.28 111.11 3hkb n THR 80 Ca 0.07 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.78 3hkb n THR 80 Cb 0.50 -0.53 -0.16 0.00 -1.82 0.00 0.00 70.33 68.32 3hkb n THR 80 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3hkb s GLY 81 N -3.60 1.18 0.01 3.41 0.00 -1.13 -4.94 107.32 102.25 3hkb s GLY 81 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 3hkb s GLY 81 CO 0.00 -0.59 0.04 -1.30 0.00 0.00 0.00 173.10 171.25 3hkb n THR 82 N 2.95 0.13 0.00 0.90 -2.24 -1.26 -2.51 114.28 112.25 3hkb n THR 82 Ca -0.17 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3hkb n THR 82 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3hkb n THR 82 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3hkb n TYR 83 N 0.00 0.00 -0.27 4.78 0.53 -1.26 -4.93 117.16 116.02 3hkb n TYR 83 Ca 0.01 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 56.98 3hkb n TYR 83 Cb 0.02 0.00 0.23 0.00 -1.03 0.00 0.00 39.34 38.55 3hkb n TYR 83 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3hkb h ARG 84 N 3.15 0.28 -0.11 -0.72 2.43 -1.55 -0.42 114.38 117.44 3hkb h ARG 84 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hkb h ARG 84 Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3hkb h ARG 84 CO 0.00 0.19 0.00 1.04 -1.51 0.00 0.00 179.97 179.69 3hkb n GLN 85 N -5.14 1.97 0.10 0.20 6.02 -1.26 -4.34 117.38 114.93 3hkb n GLN 85 Ca 0.17 -1.43 -0.11 0.00 -0.01 0.00 0.00 57.00 55.62 3hkb n GLN 85 Cb 0.54 -1.46 -0.07 0.00 1.02 0.00 0.00 30.24 30.27 3hkb n GLN 85 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3hkb h LEU 86 N 3.21 -0.27-10.44 1.08 5.85 -1.04 -3.41 115.31 110.29 3hkb h LEU 86 Ca 0.00 -0.25 -0.50 0.00 0.84 0.00 0.00 57.88 57.97 3hkb h LEU 86 Cb 0.69 0.07 0.08 0.00 0.37 0.00 0.00 40.66 41.87 3hkb h LEU 86 CO 0.00 0.22 0.41 -0.36 -0.34 0.00 0.00 178.44 178.38 3hkb s PHE 87 N -3.68 3.37 0.24 1.25 0.08 -1.24 -4.17 117.98 113.83 3hkb s PHE 87 Ca -0.12 1.11 -0.18 0.00 0.12 0.00 0.00 56.93 57.86 3hkb s PHE 87 Cb 0.01 -2.99 -0.08 0.00 -0.57 0.00 0.00 43.02 39.39 3hkb s PHE 87 CO 0.45 -1.09 0.71 -1.01 -0.10 0.00 0.00 175.22 174.19 3hkb s HIS 88 N -3.30 3.59 0.30 0.36 3.76 -1.26 -4.98 115.29 113.75 3hkb s HIS 88 Ca 0.57 1.32 0.03 0.00 -0.15 0.00 0.00 55.06 56.84 3hkb s HIS 88 Cb -0.11 -2.58 0.62 0.00 1.11 0.00 0.00 32.58 31.62 3hkb s HIS 88 CO 0.52 0.30 1.85 -1.00 -0.85 0.00 0.00 174.74 175.56 3hkb h PRO 89 N 3.20 0.90 -0.36 8.40 0.13 -1.97 -2.08 132.00 140.22 3hkb h PRO 89 Ca -0.48 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 3hkb h PRO 89 Cb 1.19 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 3hkb h PRO 89 CO 0.65 0.59 0.11 1.05 -0.23 0.00 0.00 178.00 180.18 3hkb h GLU 90 N 0.92 0.56 0.00 0.86 9.09 -2.02 -3.14 114.58 120.86 3hkb h GLU 90 Ca 0.48 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.77 3hkb h GLU 90 Cb 0.53 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 3hkb h GLU 90 CO -0.24 0.58 0.00 0.00 0.05 0.00 0.00 179.01 179.40 3hkb n GLN 91 N -4.64 0.01 -3.48 1.06 10.64 -0.78 -4.12 117.38 116.08 3hkb n GLN 91 Ca -0.01 0.30 -0.43 0.00 -1.83 0.00 0.00 57.00 55.04 3hkb n GLN 91 Cb 0.18 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 27.97 3hkb n GLN 91 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3hkb s LEU 92 N -2.63 5.46 -0.11 2.61 1.43 -1.19 -0.76 118.68 123.49 3hkb s LEU 92 Ca 0.01 -1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 51.66 3hkb s LEU 92 Cb 0.01 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 3hkb s LEU 92 CO 0.02 -0.61 -0.05 -0.63 0.23 0.00 0.00 176.35 175.31 3hkb s ILE 93 N 1.54 3.84 0.02 -0.59 1.01 0.20 -4.97 121.20 122.26 3hkb s ILE 93 Ca 0.04 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.29 3hkb s ILE 93 Cb -0.24 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 3hkb s ILE 93 CO 0.04 0.55 -0.04 0.28 0.00 0.00 0.00 174.94 175.78 3hkb s THR 94 N -0.30 0.23 -0.09 2.92 -1.32 -1.26 -1.14 115.64 114.69 3hkb s THR 94 Ca 0.05 -0.85 0.13 0.00 -1.21 0.00 0.00 61.69 59.81 3hkb s THR 94 Cb -0.13 -0.34 0.20 0.00 -1.51 0.00 0.00 72.50 70.73 3hkb s THR 94 CO 0.02 -0.40 1.10 0.61 -2.21 0.00 0.00 174.62 173.74 3hkb n GLY 95 N 1.74 4.12 5.00 6.08 0.00 -0.84 -4.93 105.19 116.36 3hkb n GLY 95 Ca -0.22 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3hkb n GLY 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hkb n LYS 96 N -1.12 0.00 -4.36 1.61 0.00 -0.74 -4.79 118.16 108.76 3hkb n LYS 96 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 58.07 3hkb n LYS 96 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.47 3hkb n LYS 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3hkb s GLU 97 N 0.00 3.05 1.03 1.64 2.12 -1.16 -4.60 118.70 120.79 3hkb s GLU 97 Ca 0.00 -0.41 -0.16 0.00 0.36 0.00 0.00 54.97 54.76 3hkb s GLU 97 Cb 0.00 -2.82 0.11 0.00 0.26 0.00 0.00 34.13 31.68 3hkb s GLU 97 CO 0.00 0.67 0.02 -3.47 -0.54 0.00 0.00 175.26 171.93 3hkb n ASP 98 N 2.26 -2.78 -0.44 -1.70 -0.08 -1.26 -3.91 116.55 108.63 3hkb n ASP 98 Ca -0.18 -0.26 0.09 0.00 -1.51 0.00 0.00 54.79 52.92 3hkb n ASP 98 Cb 0.54 -0.79 0.01 0.00 2.34 0.00 0.00 41.12 43.21 3hkb n ASP 98 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hkb n ALA 99 N -4.30 3.16 -4.30 -1.67 0.00 -1.26 -4.87 120.51 107.26 3hkb n ALA 99 Ca 0.03 -0.57 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 3hkb n ALA 99 Cb 0.47 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 3hkb n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkb n ALA 100 N 0.05 -1.53 -2.17 0.00 0.00 -1.26 -2.84 120.51 112.77 3hkb n ALA 100 Ca 0.08 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 3hkb n ALA 100 Cb 0.38 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 3hkb n ALA 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hkb n ASN 101 N -2.70 -5.67 -3.70 0.00 3.02 -1.26 -4.95 115.26 100.00 3hkb n ASN 101 Ca -0.06 0.12 -0.17 0.00 -0.03 0.00 0.00 54.58 54.44 3hkb n ASN 101 Cb 0.56 -4.76 -0.16 0.00 -0.61 0.00 0.00 39.78 34.81 3hkb n ASN 101 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hkb s ASN 102 N -2.28 0.61 0.30 6.41 4.22 -1.13 -4.51 114.94 118.56 3hkb s ASN 102 Ca 0.00 0.16 0.06 0.00 -2.14 0.00 0.00 52.86 50.94 3hkb s ASN 102 Cb 0.00 0.02 0.81 0.00 1.28 0.00 0.00 41.25 43.36 3hkb s ASN 102 CO 0.00 -0.21 1.67 0.22 -2.04 0.00 0.00 177.10 176.75 3hkb h TYR 103 N 7.98 0.63 -0.59 1.54 3.20 -1.86 0.47 116.97 128.33 3hkb h TYR 103 Ca -0.25 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.73 3hkb h TYR 103 Cb 1.12 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 3hkb h TYR 103 CO 0.47 -0.13 0.28 0.00 -1.64 0.00 0.00 178.16 177.14 3hkb h ALA 104 N 1.77 0.77 0.13 1.82 0.00 -1.92 0.61 119.26 122.43 3hkb h ALA 104 Ca 0.60 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 3hkb h ALA 104 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hkb h ALA 104 CO -0.59 -0.09 -0.06 -0.09 0.00 0.00 0.00 179.25 178.42 3hkb h ARG 105 N 0.52 -0.17 -0.28 0.00 2.43 -0.36 -1.56 114.38 114.96 3hkb h ARG 105 Ca 0.27 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3hkb h ARG 105 Cb 0.24 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 3hkb h ARG 105 CO -0.22 0.03 -0.03 0.78 -1.51 0.00 0.00 179.97 179.02 3hkb h GLY 106 N -0.35 0.24 1.71 2.80 0.00 -0.57 -0.87 103.07 106.03 3hkb h GLY 106 Ca -0.02 0.06 -0.21 0.00 0.00 0.00 0.00 47.33 47.16 3hkb h GLY 106 CO 0.03 -0.08 -0.91 0.84 0.00 0.00 0.00 176.54 176.41 3hkb h HIS 107 N 0.04 0.38 0.00 5.60 -0.00 0.18 -3.03 115.15 118.33 3hkb h HIS 107 Ca 0.14 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 3hkb h HIS 107 Cb 0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 3hkb h HIS 107 CO -0.24 1.04 -0.15 0.66 -0.00 0.00 0.00 177.93 179.24 3hkb n TYR 108 N -3.67 0.00 0.12 5.26 4.02 -0.59 -4.37 117.16 117.92 3hkb n TYR 108 Ca -0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.79 3hkb n TYR 108 Cb 0.83 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 40.05 3hkb n TYR 108 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3hkb h THR 109 N -0.15 0.00 0.00 -0.72 2.02 -1.12 -2.82 112.91 110.13 3hkb h THR 109 Ca 0.00 -0.47 -0.23 0.00 0.77 0.00 0.00 66.41 66.48 3hkb h THR 109 Cb 0.15 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.52 3hkb h THR 109 CO 0.00 0.00 -1.37 -0.29 0.37 0.00 0.00 175.52 174.23 3hkb h ILE 110 N -0.82 0.96 -0.18 3.11 6.09 -1.55 -3.39 117.51 121.72 3hkb h ILE 110 Ca -0.04 -2.65 0.04 0.00 -1.37 0.00 0.00 64.86 60.85 3hkb h ILE 110 Cb 0.27 2.42 -0.07 0.00 0.47 0.00 0.00 36.82 39.91 3hkb h ILE 110 CO 0.06 0.54 -0.51 1.23 -3.07 0.00 0.00 178.15 176.40 3hkb h GLY 111 N 3.44 -0.95 -0.18 8.18 0.00 -1.44 -2.41 103.07 109.71 3hkb h GLY 111 Ca -0.17 0.64 0.03 0.00 0.00 0.00 0.00 47.33 47.83 3hkb h GLY 111 CO 0.08 -0.19 -0.08 0.28 0.00 0.00 0.00 176.54 176.63 3hkb n LYS 112 N -5.43 -0.05 -0.13 4.80 5.02 -1.06 -1.65 118.16 119.66 3hkb n LYS 112 Ca -0.05 0.28 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 3hkb n LYS 112 Cb 0.37 -0.42 0.06 0.00 -0.02 0.00 0.00 35.03 35.03 3hkb n LYS 112 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hkb h GLU 113 N 0.00 0.89 0.00 1.97 4.39 -1.67 -3.25 114.58 116.92 3hkb h GLU 113 Ca 0.06 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3hkb h GLU 113 Cb 0.10 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3hkb h GLU 113 CO -0.18 0.99 -1.22 1.51 -1.16 0.00 0.00 179.01 178.95 3hkb n ILE 114 N -4.13 0.10 0.25 3.13 0.13 -0.66 -4.30 119.36 113.87 3hkb n ILE 114 Ca 0.01 -0.24 0.14 0.00 -1.10 0.00 0.00 62.75 61.56 3hkb n ILE 114 Cb 0.41 0.35 0.55 0.00 -0.84 0.00 0.00 39.64 40.11 3hkb n ILE 114 CO 0.00 0.00 0.00 -0.29 2.80 0.00 0.00 176.55 179.06 3hkb h ILE 115 N 0.00 0.26 0.11 9.51 -0.00 -1.52 -1.07 117.51 124.80 3hkb h ILE 115 Ca 0.00 -0.83 -0.26 0.00 -0.00 0.00 0.00 64.86 63.77 3hkb h ILE 115 Cb 0.73 1.66 0.00 0.00 -0.00 0.00 0.00 36.82 39.21 3hkb h ILE 115 CO 0.00 0.10 -1.19 0.44 -0.00 0.00 0.00 178.15 177.50 3hkb h ASP 116 N 0.00 0.42 -0.32 2.19 3.32 -1.75 -2.66 116.42 117.62 3hkb h ASP 116 Ca -0.00 -0.43 -0.16 0.00 0.02 0.00 0.00 57.03 56.45 3hkb h ASP 116 Cb 0.65 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3hkb h ASP 116 CO 0.01 1.32 -0.44 0.25 -1.72 0.00 0.00 179.24 178.66 3hkb h LEU 117 N 0.09 0.94 0.24 1.55 5.85 -1.67 -2.97 115.31 119.34 3hkb h LEU 117 Ca -0.12 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.08 3hkb h LEU 117 Cb 1.91 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.68 3hkb h LEU 117 CO 0.20 1.26 -0.12 0.58 -0.34 0.00 0.00 178.44 180.02 3hkb h VAL 118 N 0.64 0.80 -0.59 1.05 2.07 -1.27 -1.69 116.25 117.27 3hkb h VAL 118 Ca 0.03 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3hkb h VAL 118 Cb 1.05 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3hkb h VAL 118 CO 0.10 0.06 0.21 0.25 0.02 0.00 0.00 177.57 178.21 3hkb h LEU 119 N -0.46 0.81 -0.97 2.57 5.85 -1.56 0.11 115.31 121.66 3hkb h LEU 119 Ca -0.03 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3hkb h LEU 119 Cb 0.35 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3hkb h LEU 119 CO 0.05 0.75 -0.27 -0.78 -0.34 0.00 0.00 178.44 177.85 3hkb h ASP 120 N 0.86 0.00 0.10 1.25 -0.00 -1.50 -2.00 116.42 115.13 3hkb h ASP 120 Ca 0.20 0.00 -0.31 0.00 -0.00 0.00 0.00 57.03 56.92 3hkb h ASP 120 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 3hkb h ASP 120 CO -0.01 0.27 -1.62 -0.09 -0.00 0.00 0.00 179.24 177.79 3hkb h ARG 121 N 0.00 0.22 -0.90 0.28 2.43 -0.01 -3.30 114.38 113.09 3hkb h ARG 121 Ca -0.00 -0.37 0.20 0.00 -0.81 0.00 0.00 59.98 58.99 3hkb h ARG 121 Cb 0.83 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 30.41 3hkb h ARG 121 CO 0.04 1.18 0.46 0.82 -1.51 0.00 0.00 179.97 180.95 3hkb h ILE 122 N -0.27 0.59 0.00 1.20 2.04 -0.92 0.16 117.51 120.31 3hkb h ILE 122 Ca -0.36 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3hkb h ILE 122 Cb 1.80 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3hkb h ILE 122 CO 0.03 0.10 0.00 -0.09 0.00 0.00 0.00 178.15 178.19 3hkb h ARG 123 N 0.54 0.00 0.03 2.37 9.65 -1.45 -0.97 114.38 124.55 3hkb h ARG 123 Ca 0.54 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 59.20 3hkb h ARG 123 Cb 0.93 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.49 3hkb h ARG 123 CO -0.45 0.00 -1.01 0.87 2.80 0.00 0.00 179.97 182.18 3hkb h LYS 124 N 0.00 0.11 -0.10 0.20 1.57 -0.75 -1.99 116.57 115.61 3hkb h LYS 124 Ca 0.00 -0.16 -0.21 0.00 -1.87 0.00 0.00 60.65 58.41 3hkb h LYS 124 Cb 0.17 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hkb h LYS 124 CO 0.00 1.02 -0.80 -0.07 -0.57 0.00 0.00 179.45 179.04 3hkb h LEU 125 N 0.04 0.73 -1.30 2.94 3.38 -1.14 -3.12 115.31 116.84 3hkb h LEU 125 Ca -0.05 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 3hkb h LEU 125 Cb 1.73 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 3hkb h LEU 125 CO 0.15 1.27 0.31 0.00 0.09 0.00 0.00 178.44 180.26 3hkb h ALA 126 N 0.71 1.47 -0.14 1.53 0.00 -1.18 -1.94 119.26 119.71 3hkb h ALA 126 Ca -0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3hkb h ALA 126 Cb 1.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3hkb h ALA 126 CO 0.15 0.44 -0.19 -0.44 0.00 0.00 0.00 179.25 179.21 3hkb h ASP 127 N 0.79 0.22 -0.58 0.00 3.45 -1.30 -2.96 116.42 116.04 3hkb h ASP 127 Ca 0.20 -0.05 -0.30 0.00 0.43 0.00 0.00 57.03 57.31 3hkb h ASP 127 Cb 0.02 -0.06 -0.18 0.00 -0.56 0.00 0.00 39.33 38.56 3hkb h ASP 127 CO -0.03 0.43 0.39 0.00 -1.57 0.00 0.00 179.24 178.45 3hkb n GLN 128 N -4.22 1.73 -3.78 3.56 1.13 -0.73 -4.81 117.38 110.25 3hkb n GLN 128 Ca -0.01 -1.75 -0.30 0.00 -1.94 0.00 0.00 57.00 53.00 3hkb n GLN 128 Cb 0.31 -1.69 -0.15 0.00 0.11 0.00 0.00 30.24 28.82 3hkb n GLN 128 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hkb n THR 130 N 4.78 2.82 0.00 0.00 -2.24 -1.26 -3.06 114.28 115.32 3hkb n THR 130 Ca -0.02 -2.67 0.00 0.00 -2.27 0.00 0.00 64.05 59.08 3hkb n THR 130 Cb 0.43 -2.39 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 3hkb n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hkb n GLY 131 N 4.84 0.71 3.71 3.38 0.00 -1.26 -4.83 105.19 111.74 3hkb n GLY 131 Ca 0.49 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3hkb n GLY 131 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hkb n LEU 132 N 0.00 3.88 -0.05 0.99 7.94 -1.17 -2.53 117.00 126.06 3hkb n LEU 132 Ca 0.00 1.19 -0.05 0.00 -1.11 0.00 0.00 56.01 56.04 3hkb n LEU 132 Cb 0.00 -1.51 -0.08 0.00 0.53 0.00 0.00 43.42 42.36 3hkb n LEU 132 CO 0.00 -0.42 -0.82 1.67 -1.11 0.00 0.00 177.39 176.71 3hkb n GLN 133 N 0.40 2.34 0.00 1.96 7.27 -1.15 -4.81 117.38 123.39 3hkb n GLN 133 Ca 0.05 -0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 3hkb n GLN 133 Cb 0.37 -1.25 0.00 0.00 2.41 0.00 0.00 30.24 31.78 3hkb n GLN 133 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hkb n GLY 134 N 2.43 -0.72 3.61 1.69 0.00 -1.26 -3.15 105.19 107.79 3hkb n GLY 134 Ca -0.16 -1.20 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 3hkb n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hkb s PHE 135 N -2.00 2.76 -0.31 1.61 0.40 -0.57 -2.32 117.98 117.54 3hkb s PHE 135 Ca 0.00 -0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 3hkb s PHE 135 Cb 0.00 -1.38 0.09 0.00 0.51 0.00 0.00 43.02 42.24 3hkb s PHE 135 CO 0.00 0.48 -0.00 -0.51 0.70 0.00 0.00 175.22 175.89 3hkb s LEU 136 N -2.64 4.34 -0.11 -0.37 1.43 -0.18 -1.47 118.68 119.68 3hkb s LEU 136 Ca 0.25 -1.90 -0.16 0.00 -1.03 0.00 0.00 54.13 51.28 3hkb s LEU 136 Cb -0.10 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 3hkb s LEU 136 CO 0.16 -0.32 0.42 -0.69 0.23 0.00 0.00 176.35 176.15 3hkb s VAL 137 N 0.97 5.19 -0.20 -1.59 1.01 0.50 -1.04 120.40 125.25 3hkb s VAL 137 Ca 0.04 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.86 3hkb s VAL 137 Cb -0.19 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3hkb s VAL 137 CO -0.07 0.39 -0.17 -0.36 0.00 0.00 0.00 175.10 174.89 3hkb s PHE 138 N 0.29 2.90 0.04 5.22 0.40 -0.23 -0.12 117.98 126.46 3hkb s PHE 138 Ca 0.23 -1.75 -0.22 0.00 -0.60 0.00 0.00 56.93 54.59 3hkb s PHE 138 Cb -0.15 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.50 3hkb s PHE 138 CO 0.09 -0.81 0.52 -3.38 0.70 0.00 0.00 175.22 172.34 3hkb s HIS 139 N 1.26 -0.42 0.57 0.36 -3.43 -0.77 -2.24 115.29 110.63 3hkb s HIS 139 Ca 0.02 0.50 -0.15 0.00 -0.80 0.00 0.00 55.06 54.63 3hkb s HIS 139 Cb -0.15 0.33 -0.05 0.00 -1.43 0.00 0.00 32.58 31.28 3hkb s HIS 139 CO -0.11 -0.62 1.02 -1.54 -2.00 0.00 0.00 174.74 171.49 3hkb s SER 140 N -1.88 6.22 -0.14 7.38 1.04 -1.26 -2.05 113.70 123.01 3hkb s SER 140 Ca -0.06 1.63 -0.16 0.00 0.48 0.00 0.00 55.95 57.84 3hkb s SER 140 Cb -0.01 -2.51 -0.13 0.00 0.10 0.00 0.00 66.02 63.47 3hkb s SER 140 CO -0.01 -0.87 0.27 -0.26 0.98 0.00 0.00 173.24 173.35 3hkb h PHE 141 N 0.48 0.00 -3.38 5.02 0.05 -1.61 -3.20 116.94 114.30 3hkb h PHE 141 Ca -0.46 0.00 -0.35 0.00 3.82 0.00 0.00 57.97 60.98 3hkb h PHE 141 Cb 1.20 0.00 0.15 0.00 2.00 0.00 0.00 35.95 39.30 3hkb h PHE 141 CO 0.62 0.65 0.28 0.41 -0.18 0.00 0.00 178.31 180.09 3hkb n GLY 142 N 1.62 -1.81 0.61 -1.45 0.00 -1.26 -3.12 105.19 99.79 3hkb n GLY 142 Ca -0.12 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.31 3hkb n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkb n GLY 143 N -2.54 -3.08 0.00 -0.02 0.00 -1.26 -4.33 105.19 93.96 3hkb n GLY 143 Ca 0.13 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3hkb n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkb n GLY 144 N -2.61 -0.97 0.17 -0.02 0.00 -1.26 -2.68 105.19 97.81 3hkb n GLY 144 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3hkb n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkb h THR 145 N 0.00 1.35 -0.48 2.61 1.03 -1.89 0.74 112.91 116.27 3hkb h THR 145 Ca 0.00 -1.70 0.07 0.00 -0.01 0.00 0.00 66.41 64.77 3hkb h THR 145 Cb 0.00 1.88 -0.06 0.00 -1.07 0.00 0.00 68.15 68.90 3hkb h THR 145 CO 0.00 0.49 0.14 1.23 -0.01 0.00 0.00 175.52 177.38 3hkb h GLY 146 N 1.44 0.62 0.01 2.99 0.00 -1.82 -1.32 103.07 105.00 3hkb h GLY 146 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 3hkb h GLY 146 CO 0.07 -0.02 -0.66 1.48 0.00 0.00 0.00 176.54 177.40 3hkb h SER 147 N 0.30 0.01 0.45 0.19 4.64 -1.44 -3.34 113.55 114.35 3hkb h SER 147 Ca 0.24 -0.75 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 3hkb h SER 147 Cb 0.27 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3hkb h SER 147 CO -0.27 1.26 -0.22 1.23 -0.87 0.00 0.00 176.83 177.97 3hkb h GLY 148 N -0.98 -0.63 1.53 -0.77 0.00 -0.81 -2.63 103.07 98.77 3hkb h GLY 148 Ca -0.18 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 3hkb h GLY 148 CO -0.11 -0.23 0.20 -2.75 0.00 0.00 0.00 176.54 173.65 3hkb h PHE 149 N -0.89 0.61 0.52 5.60 3.04 -1.20 -2.87 116.94 121.75 3hkb h PHE 149 Ca -0.06 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 3hkb h PHE 149 Cb 0.46 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.78 3hkb h PHE 149 CO 0.04 0.47 -0.26 1.15 -2.02 0.00 0.00 178.31 177.69 3hkb h THR 150 N 0.62 0.48 -0.90 4.41 2.02 -1.60 -0.38 112.91 117.57 3hkb h THR 150 Ca 0.16 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.46 3hkb h THR 150 Cb 0.09 0.48 -0.14 0.00 -1.74 0.00 0.00 68.15 66.84 3hkb h THR 150 CO -0.02 0.00 -0.44 -1.28 0.37 0.00 0.00 175.52 174.15 3hkb h SER 151 N -0.71 -1.59 -0.79 4.18 0.87 -1.33 0.13 113.55 114.32 3hkb h SER 151 Ca -0.07 0.30 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 3hkb h SER 151 Cb 0.55 0.78 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 3hkb h SER 151 CO 0.12 -0.29 0.33 0.25 -0.53 0.00 0.00 176.83 176.71 3hkb h LEU 152 N -0.05 1.07 -0.03 2.23 5.85 -1.30 -1.74 115.31 121.34 3hkb h LEU 152 Ca 0.27 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3hkb h LEU 152 Cb 0.55 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3hkb h LEU 152 CO -0.90 0.94 -0.14 0.25 -0.34 0.00 0.00 178.44 178.24 3hkb h LEU 153 N 1.15 -0.41 -1.41 2.25 6.46 -0.00 -2.30 115.31 121.05 3hkb h LEU 153 Ca 0.27 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 58.04 3hkb h LEU 153 Cb 0.19 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 3hkb h LEU 153 CO -0.03 -0.19 -0.16 0.24 -0.62 0.00 0.00 178.44 177.68 3hkb h MET 154 N -0.22 0.19 0.71 1.25 2.86 -0.50 0.60 114.93 119.83 3hkb h MET 154 Ca 0.06 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3hkb h MET 154 Cb 0.30 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.94 3hkb h MET 154 CO -0.16 0.36 -0.34 0.93 1.06 0.00 0.00 176.91 178.76 3hkb h GLU 155 N 0.18 -0.91 0.00 1.72 5.08 -1.16 -2.28 114.58 117.21 3hkb h GLU 155 Ca 0.04 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3hkb h GLU 155 Cb 0.40 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3hkb h GLU 155 CO 0.02 -0.61 -0.12 0.00 -1.00 0.00 0.00 179.01 177.31 3hkb h ARG 156 N -1.07 0.00 -0.21 2.33 2.47 -0.87 0.50 114.38 117.53 3hkb h ARG 156 Ca -0.10 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 3hkb h ARG 156 Cb 0.73 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 3hkb h ARG 156 CO 0.16 0.12 -0.09 -0.07 0.56 0.00 0.00 179.97 180.65 3hkb h LEU 157 N 0.00 0.44 -2.28 3.04 3.38 0.17 -0.70 115.31 119.36 3hkb h LEU 157 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3hkb h LEU 157 Cb 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hkb h LEU 157 CO 0.02 0.74 0.00 0.28 0.09 0.00 0.00 178.44 179.57 3hkb h SER 158 N 0.14 0.00 0.16 -0.43 0.02 -0.30 0.51 113.55 113.66 3hkb h SER 158 Ca 0.05 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.65 3hkb h SER 158 Cb 0.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 3hkb h SER 158 CO 0.03 0.00 -1.82 0.58 -1.14 0.00 0.00 176.83 174.48 3hkb h VAL 159 N 0.00 0.83 0.00 2.27 2.07 -1.18 -3.40 116.25 116.84 3hkb h VAL 159 Ca 0.00 -2.44 -0.07 0.00 0.82 0.00 0.00 66.70 65.01 3hkb h VAL 159 Cb 0.09 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3hkb h VAL 159 CO 0.00 0.86 -1.07 0.44 0.02 0.00 0.00 177.57 177.83 3hkb h ASP 160 N 0.07 0.00 -3.19 0.57 3.45 0.29 -3.41 116.42 114.19 3hkb h ASP 160 Ca -0.37 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 56.50 3hkb h ASP 160 Cb 2.06 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 40.43 3hkb h ASP 160 CO 0.14 0.24 -0.77 -0.31 -1.57 0.00 0.00 179.24 176.97 3hkb s TYR 161 N -3.17 1.59 0.00 4.55 1.51 0.17 -5.07 117.35 116.92 3hkb s TYR 161 Ca -0.01 -1.99 0.00 0.00 -1.01 0.00 0.00 57.07 54.07 3hkb s TYR 161 Cb 0.09 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 3hkb s TYR 161 CO 0.79 -0.83 0.06 0.41 -1.11 0.00 0.00 175.55 174.88 3hkb n GLY 162 N 4.14 -1.55 0.37 0.71 0.00 -1.26 -4.10 105.19 103.50 3hkb n GLY 162 Ca 0.05 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3hkb n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkb h LYS 163 N 0.00 -0.69 0.00 1.61 6.56 -1.98 -3.46 116.57 118.61 3hkb h LYS 163 Ca 0.00 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3hkb h LYS 163 Cb 0.00 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 3hkb h LYS 163 CO 0.00 -0.46 0.00 1.63 -2.06 0.00 0.00 179.45 178.56 3hkb n LYS 164 N -4.68 0.00 -0.87 3.15 4.76 -1.26 -4.82 118.16 114.45 3hkb n LYS 164 Ca -0.08 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.06 3hkb n LYS 164 Cb 0.34 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.70 3hkb n LYS 164 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3hkb s SER 165 N 0.00 2.66 -0.16 4.39 0.01 -1.19 -4.82 113.70 114.59 3hkb s SER 165 Ca 0.00 1.74 -0.04 0.00 1.31 0.00 0.00 55.95 58.95 3hkb s SER 165 Cb 0.00 -2.35 0.07 0.00 0.21 0.00 0.00 66.02 63.94 3hkb s SER 165 CO 0.00 -3.19 0.13 -0.54 0.41 0.00 0.00 173.24 170.05 3hkb s LYS 166 N -4.71 0.09 -0.15 12.44 1.02 -1.26 -1.52 119.74 125.65 3hkb s LYS 166 Ca 0.66 0.09 -0.05 0.00 0.02 0.00 0.00 55.97 56.69 3hkb s LYS 166 Cb -0.21 -1.42 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 3hkb s LYS 166 CO 0.59 -0.61 0.01 -0.51 -0.92 0.00 0.00 175.35 173.91 3hkb s LEU 167 N 2.21 3.56 0.02 3.17 1.02 -0.54 -0.39 118.68 127.73 3hkb s LEU 167 Ca 0.04 0.03 0.09 0.00 0.02 0.00 0.00 54.13 54.31 3hkb s LEU 167 Cb -0.15 -1.86 -0.03 0.00 0.02 0.00 0.00 46.19 44.17 3hkb s LEU 167 CO -0.09 0.23 -0.26 -1.83 0.02 0.00 0.00 176.35 174.42 3hkb s GLU 168 N 0.01 1.90 -0.43 1.70 -1.05 -0.95 -0.37 118.70 119.51 3hkb s GLU 168 Ca 0.03 -1.05 -0.06 0.00 -0.15 0.00 0.00 54.97 53.74 3hkb s GLU 168 Cb -0.13 -2.00 0.11 0.00 -0.44 0.00 0.00 34.13 31.68 3hkb s GLU 168 CO 0.02 0.53 0.26 -0.06 0.95 0.00 0.00 175.26 176.95 3hkb s PHE 169 N -0.74 3.50 -0.05 4.83 0.40 0.82 0.88 117.98 127.63 3hkb s PHE 169 Ca 0.11 -2.14 -0.15 0.00 -0.60 0.00 0.00 56.93 54.15 3hkb s PHE 169 Cb -0.10 -3.28 -0.05 0.00 0.51 0.00 0.00 43.02 40.10 3hkb s PHE 169 CO 0.01 -0.97 0.39 -1.12 0.70 0.00 0.00 175.22 174.23 3hkb s SER 170 N 2.15 6.71 -0.57 1.36 0.01 -0.77 -1.84 113.70 120.74 3hkb s SER 170 Ca 0.07 0.84 -0.16 0.00 1.31 0.00 0.00 55.95 58.01 3hkb s SER 170 Cb -0.24 -2.24 0.13 0.00 0.21 0.00 0.00 66.02 63.89 3hkb s SER 170 CO -0.02 0.24 0.54 -0.63 0.41 0.00 0.00 173.24 173.77 3hkb s ILE 171 N -0.53 5.20 0.02 1.44 1.09 -0.87 0.23 121.20 127.78 3hkb s ILE 171 Ca 0.23 -1.53 -0.30 0.00 -1.10 0.00 0.00 60.65 57.94 3hkb s ILE 171 Cb -0.16 -4.37 -0.06 0.00 -1.06 0.00 0.00 42.46 36.82 3hkb s ILE 171 CO 0.11 -0.91 1.48 -0.47 -0.10 0.00 0.00 174.94 175.05 3hkb s TYR 172 N 1.59 2.71 0.28 3.97 6.14 0.12 -1.55 117.35 130.60 3hkb s TYR 172 Ca 0.05 0.66 -0.29 0.00 0.64 0.00 0.00 57.07 58.13 3hkb s TYR 172 Cb -0.28 -3.76 -0.09 0.00 0.42 0.00 0.00 41.96 38.25 3hkb s TYR 172 CO 0.02 -2.89 1.13 -1.25 0.64 0.00 0.00 175.55 173.20 3hkb s PRO 173 N 2.50 4.60 -0.03 4.97 0.04 -1.26 -1.41 135.00 144.40 3hkb s PRO 173 Ca 0.67 1.85 0.02 0.00 0.04 0.00 0.00 61.00 63.59 3hkb s PRO 173 Cb -0.34 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.02 3hkb s PRO 173 CO 0.28 0.14 -0.09 0.00 0.04 0.00 0.00 177.00 177.37 3hkb s ALA 174 N -1.05 0.89 0.20 8.56 0.00 -1.26 -4.80 121.76 124.29 3hkb s ALA 174 Ca 0.46 -0.33 -0.19 0.00 0.00 0.00 0.00 51.96 51.89 3hkb s ALA 174 Cb -0.33 -0.34 0.16 0.00 0.00 0.00 0.00 23.12 22.62 3hkb s ALA 174 CO 0.42 0.14 1.59 -1.35 0.00 0.00 0.00 175.76 176.55 3hkb h PRO 175 N 6.42 -0.12 -0.41 0.00 0.11 -1.96 -2.76 132.00 133.29 3hkb h PRO 175 Ca -0.33 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.85 3hkb h PRO 175 Cb 1.17 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 3hkb h PRO 175 CO 0.49 -0.08 0.07 -0.56 -0.21 0.00 0.00 178.00 177.71 3hkb h GLN 176 N -0.12 0.19 -2.37 1.05 -0.00 -2.00 -2.73 115.11 109.13 3hkb h GLN 176 Ca 0.26 -0.01 -0.76 0.00 -0.00 0.00 0.00 58.65 58.14 3hkb h GLN 176 Cb 0.55 -0.04 -0.31 0.00 -0.00 0.00 0.00 27.48 27.68 3hkb h GLN 176 CO -0.72 0.13 0.62 1.55 -0.00 0.00 0.00 178.83 180.42 3hkb n VAL 177 N -5.11 5.28 -3.75 1.86 3.14 -1.04 -4.98 118.33 113.73 3hkb n VAL 177 Ca 0.03 -5.87 -0.13 0.00 -2.96 0.00 0.00 64.34 55.40 3hkb n VAL 177 Cb 0.19 -1.65 -0.09 0.00 -1.06 0.00 0.00 33.84 31.23 3hkb n VAL 177 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3hkb s SER 178 N -1.85 -0.27 -0.03 6.55 0.15 -1.03 -4.73 113.70 112.49 3hkb s SER 178 Ca 0.39 0.34 -0.02 0.00 0.70 0.00 0.00 55.95 57.37 3hkb s SER 178 Cb 0.18 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.96 3hkb s SER 178 CO -0.08 -0.32 -0.03 0.71 1.20 0.00 0.00 173.24 174.71 3hkb h THR 179 N 4.14 0.00 -3.57 6.45 1.35 -1.92 -3.49 112.91 115.86 3hkb h THR 179 Ca -0.28 -0.20 -0.52 0.00 -0.55 0.00 0.00 66.41 64.86 3hkb h THR 179 Cb 1.18 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 3hkb h THR 179 CO 0.35 0.00 0.11 0.00 -0.25 0.00 0.00 175.52 175.74 3hkb s ALA 180 N -2.94 3.41 0.14 6.62 0.00 -1.26 -4.98 121.76 122.76 3hkb s ALA 180 Ca -0.03 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.14 3hkb s ALA 180 Cb 0.00 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 3hkb s ALA 180 CO 0.04 0.32 1.32 0.28 0.00 0.00 0.00 175.76 177.72 3hkb h VAL 181 N 2.78 1.56 -0.16 0.00 2.07 -1.96 -3.11 116.25 117.42 3hkb h VAL 181 Ca -0.48 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.13 3hkb h VAL 181 Cb 1.19 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 3hkb h VAL 181 CO 0.65 0.84 0.00 1.33 0.02 0.00 0.00 177.57 180.42 3hkb n VAL 182 N -3.55 0.28 -0.08 2.57 0.24 -1.26 -4.39 118.33 112.14 3hkb n VAL 182 Ca -0.03 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 3hkb n VAL 182 Cb 0.87 0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.19 3hkb n VAL 182 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3hkb h GLU 183 N 0.96 -0.36 -0.93 7.34 4.57 -1.88 -2.19 114.58 122.10 3hkb h GLU 183 Ca 0.00 0.02 0.20 0.00 -1.18 0.00 0.00 59.36 58.41 3hkb h GLU 183 Cb 0.31 0.08 -0.17 0.00 -0.16 0.00 0.00 28.75 28.81 3hkb h GLU 183 CO 0.02 -0.24 -0.15 -1.35 -1.18 0.00 0.00 179.01 176.11 3hkb h PRO 184 N -0.37 0.01 0.04 0.92 0.11 -1.88 -0.10 132.00 130.73 3hkb h PRO 184 Ca 0.05 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.18 3hkb h PRO 184 Cb 0.50 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 3hkb h PRO 184 CO -0.44 0.01 -0.25 1.88 -0.21 0.00 0.00 178.00 178.98 3hkb h TYR 185 N 0.01 -0.67 -0.61 0.65 0.99 -1.73 -1.08 116.97 114.53 3hkb h TYR 185 Ca 0.48 0.02 0.07 0.00 2.00 0.00 0.00 58.73 61.30 3hkb h TYR 185 Cb 0.81 0.29 -0.06 0.00 1.00 0.00 0.00 36.73 38.77 3hkb h TYR 185 CO -0.64 -0.34 0.29 -0.91 -0.00 0.00 0.00 178.16 176.55 3hkb h ASN 186 N -0.41 0.38 0.59 3.88 2.35 -0.78 0.31 115.58 121.89 3hkb h ASN 186 Ca 0.05 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3hkb h ASN 186 Cb 0.47 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3hkb h ASN 186 CO -0.19 0.24 -0.48 0.28 -1.65 0.00 0.00 177.43 175.63 3hkb h SER 187 N 0.53 -1.26 -0.63 5.81 0.02 -0.70 -1.58 113.55 115.73 3hkb h SER 187 Ca 0.29 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3hkb h SER 187 Cb 0.27 0.40 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 3hkb h SER 187 CO -0.23 -0.67 0.40 0.40 -1.14 0.00 0.00 176.83 175.58 3hkb h ILE 188 N -1.04 1.18 -0.15 3.27 1.08 -0.90 -1.25 117.51 119.69 3hkb h ILE 188 Ca -0.07 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 3hkb h ILE 188 Cb 0.88 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 3hkb h ILE 188 CO 0.00 0.18 0.09 -0.07 -0.69 0.00 0.00 178.15 177.66 3hkb h LEU 189 N 0.88 0.19 0.15 1.44 3.38 -0.18 -3.04 115.31 118.14 3hkb h LEU 189 Ca 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hkb h LEU 189 Cb -0.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hkb h LEU 189 CO -0.05 0.21 -0.07 0.00 0.09 0.00 0.00 178.44 178.62 3hkb h THR 190 N 0.16 0.77 -1.49 0.22 1.03 -0.97 -3.12 112.91 109.50 3hkb h THR 190 Ca 0.05 -1.18 0.43 0.00 -0.01 0.00 0.00 66.41 65.70 3hkb h THR 190 Cb 0.06 1.33 -0.06 0.00 -1.07 0.00 0.00 68.15 68.41 3hkb h THR 190 CO -0.01 0.21 1.10 0.00 -0.01 0.00 0.00 175.52 176.82 3hkb h THR 191 N -0.91 0.22 0.29 0.00 1.03 -1.33 0.78 112.91 112.98 3hkb h THR 191 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.37 3hkb h THR 191 Cb 0.50 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 67.81 3hkb h THR 191 CO 0.03 0.00 -0.14 -0.74 -0.01 0.00 0.00 175.52 174.66 3hkb h HIS 192 N 0.00 -0.36 0.00 0.00 6.17 -1.58 -2.97 115.15 116.41 3hkb h HIS 192 Ca 0.71 -0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.74 3hkb h HIS 192 Cb 2.91 0.12 -0.01 0.00 2.52 0.00 0.00 27.41 32.95 3hkb h HIS 192 CO 0.00 -0.08 -0.20 1.15 0.71 0.00 0.00 177.93 179.51 3hkb h THR 193 N -1.02 0.98 0.00 6.26 2.02 0.37 -2.94 112.91 118.58 3hkb h THR 193 Ca -0.04 -0.72 -0.14 0.00 0.77 0.00 0.00 66.41 66.28 3hkb h THR 193 Cb 0.44 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3hkb h THR 193 CO 0.07 0.19 -0.89 0.00 0.37 0.00 0.00 175.52 175.26 3hkb h THR 194 N 0.00 0.87 0.17 3.16 1.03 -0.31 -3.41 112.91 114.42 3hkb h THR 194 Ca -0.00 -2.33 0.01 0.00 -0.01 0.00 0.00 66.41 64.08 3hkb h THR 194 Cb 0.39 2.36 -0.03 0.00 -1.07 0.00 0.00 68.15 69.80 3hkb h THR 194 CO 0.03 0.50 -0.29 0.25 -0.01 0.00 0.00 175.52 175.99 3hkb h LEU 195 N 0.00 -0.82 -0.41 0.00 5.85 -1.34 -0.61 115.31 117.98 3hkb h LEU 195 Ca -0.06 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3hkb h LEU 195 Cb 1.52 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.85 3hkb h LEU 195 CO 0.07 -0.39 0.00 -1.84 -0.34 0.00 0.00 178.44 175.94 3hkb n GLU 196 N -5.40 0.81 0.00 1.25 0.28 -1.26 -2.94 120.64 113.38 3hkb n GLU 196 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 3hkb n GLU 196 Cb 0.31 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.02 3hkb n GLU 196 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3hkb n HIS 197 N -0.26 0.00 -3.26 -1.84 8.25 -0.28 -5.04 115.22 112.79 3hkb n HIS 197 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 3hkb n HIS 197 Cb 0.08 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.19 3hkb n HIS 197 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hkb s SER 198 N -1.06 6.10 -0.12 0.41 0.15 -0.93 -4.77 113.70 113.48 3hkb s SER 198 Ca 0.00 0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.96 3hkb s SER 198 Cb 0.00 -1.78 -0.07 0.00 -1.71 0.00 0.00 66.02 62.46 3hkb s SER 198 CO 0.00 -0.45 -0.12 0.47 1.20 0.00 0.00 173.24 174.34 3hkb n ASP 199 N -1.87 2.25 -3.74 5.45 9.92 0.47 -4.94 116.55 124.09 3hkb n ASP 199 Ca -0.02 0.02 -0.13 0.00 -0.53 0.00 0.00 54.79 54.12 3hkb n ASP 199 Cb 0.57 -0.25 -0.09 0.00 -0.64 0.00 0.00 41.12 40.71 3hkb n ASP 199 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hkb s ALA 201 N -0.47 0.74 -0.43 0.00 0.00 -0.97 -2.23 121.76 118.40 3hkb s ALA 201 Ca -0.06 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 3hkb s ALA 201 Cb -0.04 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.59 3hkb s ALA 201 CO 0.02 -0.12 0.38 -0.06 0.00 0.00 0.00 175.76 175.98 3hkb s PHE 202 N 1.16 3.21 0.27 0.00 0.40 0.25 -3.70 117.98 119.56 3hkb s PHE 202 Ca -0.07 -0.57 -0.23 0.00 -0.60 0.00 0.00 56.93 55.47 3hkb s PHE 202 Cb -0.14 -2.85 -0.09 0.00 0.51 0.00 0.00 43.02 40.46 3hkb s PHE 202 CO -0.01 -0.69 0.82 -1.64 0.70 0.00 0.00 175.22 174.40 3hkb s MET 203 N 1.89 4.40 -0.23 0.44 -1.94 -1.26 -1.85 119.30 120.75 3hkb s MET 203 Ca 0.08 1.08 0.00 0.00 -1.71 0.00 0.00 55.69 55.14 3hkb s MET 203 Cb -0.19 -2.85 0.06 0.00 2.01 0.00 0.00 34.83 33.86 3hkb s MET 203 CO 0.11 0.35 -0.05 0.08 -0.01 0.00 0.00 175.02 175.50 3hkb s VAL 204 N -1.56 1.44 -0.40 -6.03 1.01 0.13 -4.68 120.40 110.32 3hkb s VAL 204 Ca 0.46 -1.16 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 3hkb s VAL 204 Cb -0.18 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3hkb s VAL 204 CO 0.22 -0.11 1.17 -0.62 0.00 0.00 0.00 175.10 175.76 3hkb s ASP 205 N 1.44 6.70 0.51 3.32 -1.08 0.30 0.11 116.67 127.96 3hkb s ASP 205 Ca -0.05 0.77 0.19 0.00 -0.52 0.00 0.00 52.55 52.94 3hkb s ASP 205 Cb -0.19 -2.55 1.27 0.00 -1.46 0.00 0.00 42.92 40.00 3hkb s ASP 205 CO -0.06 -1.14 2.06 0.78 0.52 0.00 0.00 175.17 177.33 3hkb h ASN 206 N 9.03 0.07 -0.16 -0.34 -0.26 -1.55 -1.63 115.58 120.74 3hkb h ASN 206 Ca -0.23 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.50 3hkb h ASN 206 Cb 1.07 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 38.31 3hkb h ASN 206 CO 1.08 0.04 0.04 -0.08 -1.06 0.00 0.00 177.43 177.46 3hkb h GLU 207 N 0.08 0.26 0.04 0.81 4.81 -1.89 -0.58 114.58 118.11 3hkb h GLU 207 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3hkb h GLU 207 Cb 0.50 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 3hkb h GLU 207 CO -0.01 0.40 -0.04 0.00 -0.73 0.00 0.00 179.01 178.63 3hkb h ALA 208 N 0.85 -0.07 -0.61 2.92 0.00 -1.65 0.71 119.26 121.42 3hkb h ALA 208 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hkb h ALA 208 Cb 0.25 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hkb h ALA 208 CO -0.00 -0.54 0.40 0.82 0.00 0.00 0.00 179.25 179.93 3hkb h ILE 209 N -0.08 1.08 -0.12 0.00 1.08 -1.30 0.41 117.51 118.57 3hkb h ILE 209 Ca 0.00 -0.24 -0.21 0.00 -0.39 0.00 0.00 64.86 64.02 3hkb h ILE 209 Cb 0.08 0.31 0.01 0.00 -3.07 0.00 0.00 36.82 34.15 3hkb h ILE 209 CO -0.01 0.13 -0.75 0.22 -0.69 0.00 0.00 178.15 177.05 3hkb h TYR 210 N 0.71 0.98 -0.21 1.37 5.03 -0.75 -2.91 116.97 121.19 3hkb h TYR 210 Ca 0.24 -0.45 -0.10 0.00 2.58 0.00 0.00 58.73 61.01 3hkb h TYR 210 Cb 0.09 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 3hkb h TYR 210 CO -0.00 1.27 -0.28 -0.44 -1.32 0.00 0.00 178.16 177.39 3hkb h ASP 211 N 0.41 0.40 -0.51 -2.11 3.45 0.19 -2.37 116.42 115.88 3hkb h ASP 211 Ca -0.06 -0.14 -0.13 0.00 0.43 0.00 0.00 57.03 57.13 3hkb h ASP 211 Cb 1.39 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 3hkb h ASP 211 CO 0.15 0.68 -0.18 0.40 -1.57 0.00 0.00 179.24 178.73 3hkb h ILE 212 N 0.35 1.27 0.00 0.35 5.03 -0.29 -1.75 117.51 122.47 3hkb h ILE 212 Ca 0.05 -1.34 -0.02 0.00 -0.12 0.00 0.00 64.86 63.43 3hkb h ILE 212 Cb 0.69 1.07 -0.00 0.00 -3.03 0.00 0.00 36.82 35.54 3hkb h ILE 212 CO 0.05 0.47 -0.10 0.00 -0.68 0.00 0.00 178.15 177.89 3hkb n ARG 214 N -3.57 0.61 -0.11 0.00 1.74 -0.93 -2.18 116.66 112.22 3hkb n ARG 214 Ca -0.02 0.51 -0.13 0.00 -0.77 0.00 0.00 57.85 57.44 3hkb n ARG 214 Cb 0.23 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 3hkb n ARG 214 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3hkb h ARG 215 N -0.78 0.82 0.04 5.56 2.43 -1.33 -2.97 114.38 118.14 3hkb h ARG 215 Ca -0.37 -0.43 -0.33 0.00 -0.81 0.00 0.00 59.98 58.03 3hkb h ARG 215 Cb 1.46 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.98 3hkb h ARG 215 CO -0.16 1.06 -1.86 0.09 -1.51 0.00 0.00 179.97 177.60 3hkb n ASN 216 N -4.17 1.97 0.04 -3.80 3.02 0.51 -4.33 115.26 108.50 3hkb n ASN 216 Ca -0.03 0.28 0.12 0.00 -0.03 0.00 0.00 54.58 54.92 3hkb n ASN 216 Cb 0.50 -0.85 0.09 0.00 -0.61 0.00 0.00 39.78 38.91 3hkb n ASN 216 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hkb n LEU 217 N -3.99 0.65 -1.61 3.41 4.32 -1.10 -4.31 117.00 114.36 3hkb n LEU 217 Ca -0.38 0.10 -0.16 0.00 -0.02 0.00 0.00 56.01 55.55 3hkb n LEU 217 Cb 0.86 -0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 42.50 3hkb n LEU 217 CO 0.23 -0.01 -0.19 -0.67 -1.22 0.00 0.00 177.39 175.54 3hkb n ASP 218 N -2.05 -4.76 -4.62 -1.43 2.03 -0.95 -4.93 116.55 99.84 3hkb n ASP 218 Ca 0.02 0.11 -0.43 0.00 0.52 0.00 0.00 54.79 55.01 3hkb n ASP 218 Cb 0.44 -3.81 -0.02 0.00 -0.72 0.00 0.00 41.12 37.01 3hkb n ASP 218 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hkb s ILE 219 N -2.72 4.37 0.24 5.18 1.01 -0.92 -4.93 121.20 123.43 3hkb s ILE 219 Ca 0.00 1.44 -0.07 0.00 0.00 0.00 0.00 60.65 62.03 3hkb s ILE 219 Cb 0.00 -4.50 0.23 0.00 0.01 0.00 0.00 42.46 38.20 3hkb s ILE 219 CO 0.00 -0.74 1.67 -0.33 0.00 0.00 0.00 174.94 175.54 3hkb h GLU 220 N 8.67 0.20 -1.95 2.79 4.39 -1.92 -3.35 114.58 123.40 3hkb h GLU 220 Ca -0.22 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.17 3hkb h GLU 220 Cb 1.06 -0.04 -0.31 0.00 -0.10 0.00 0.00 28.75 29.36 3hkb h GLU 220 CO 1.07 0.13 -0.62 1.03 -1.16 0.00 0.00 179.01 179.47 3hkb s ARG 221 N -6.08 0.44 0.58 2.33 0.52 -1.26 -5.03 118.95 110.45 3hkb s ARG 221 Ca -0.13 -0.26 -0.20 0.00 -0.52 0.00 0.00 55.73 54.62 3hkb s ARG 221 Cb 0.21 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 35.08 3hkb s ARG 221 CO 0.75 -1.08 1.30 -1.25 0.02 0.00 0.00 175.30 175.04 3hkb s PRO 222 N 2.16 2.97 1.20 3.54 0.04 -1.26 -5.05 135.00 138.60 3hkb s PRO 222 Ca 0.12 2.08 -0.20 0.00 0.04 0.00 0.00 61.00 63.03 3hkb s PRO 222 Cb -0.14 -2.08 0.29 0.00 0.04 0.00 0.00 34.50 32.62 3hkb s PRO 222 CO -0.24 -1.28 1.14 0.99 0.04 0.00 0.00 177.00 177.66 3hkb s THR 223 N -1.40 1.60 0.09 1.26 2.01 -1.26 -4.93 115.64 113.01 3hkb s THR 223 Ca 0.76 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.63 3hkb s THR 223 Cb -0.37 -2.55 -0.19 0.00 0.01 0.00 0.00 72.50 69.40 3hkb s THR 223 CO 0.42 0.00 1.26 1.88 -0.69 0.00 0.00 174.62 177.48 3hkb h TYR 224 N -2.56 1.06 0.00 4.92 0.99 -1.99 -2.92 116.97 116.48 3hkb h TYR 224 Ca -0.43 -0.52 -0.03 0.00 2.00 0.00 0.00 58.73 59.75 3hkb h TYR 224 Cb 1.28 -0.14 -0.00 0.00 1.00 0.00 0.00 36.73 38.86 3hkb h TYR 224 CO -2.36 1.35 -0.13 1.79 -0.00 0.00 0.00 178.16 178.82 3hkb h THR 225 N 0.48 0.37 0.07 -2.88 1.35 -1.98 0.45 112.91 110.77 3hkb h THR 225 Ca -0.09 -0.77 -0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3hkb h THR 225 Cb 1.54 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 3hkb h THR 225 CO 0.18 0.12 -0.03 0.78 -0.25 0.00 0.00 175.52 176.32 3hkb h ASN 226 N 0.00 -0.08 -0.32 5.36 -0.26 -1.92 -2.99 115.58 115.37 3hkb h ASN 226 Ca -0.00 -0.34 -0.00 0.00 -0.56 0.00 0.00 56.30 55.39 3hkb h ASN 226 Cb 0.56 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 3hkb h ASN 226 CO 0.02 0.31 0.18 -0.07 -1.06 0.00 0.00 177.43 176.81 3hkb h LEU 227 N -0.49 0.39 -0.66 1.61 4.07 -1.24 -3.26 115.31 115.73 3hkb h LEU 227 Ca -0.01 -0.07 0.07 0.00 0.08 0.00 0.00 57.88 57.95 3hkb h LEU 227 Cb 0.42 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 42.00 3hkb h LEU 227 CO 0.02 0.34 0.35 0.78 -1.08 0.00 0.00 178.44 178.84 3hkb h ASN 228 N 0.40 0.49 -0.86 -0.43 2.35 -0.18 -1.97 115.58 115.38 3hkb h ASN 228 Ca 0.11 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3hkb h ASN 228 Cb 0.03 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 3hkb h ASN 228 CO -0.02 0.31 0.53 0.03 -1.65 0.00 0.00 177.43 176.63 3hkb h ARG 229 N 0.63 1.16 -0.00 0.81 3.08 -1.57 0.24 114.38 118.72 3hkb h ARG 229 Ca 0.30 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 3hkb h ARG 229 Cb 0.24 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3hkb h ARG 229 CO -0.21 0.80 0.00 1.25 -1.07 0.00 0.00 179.97 180.75 3hkb h LEU 230 N 1.18 0.00 -0.20 3.04 5.85 -1.49 -2.59 115.31 121.10 3hkb h LEU 230 Ca 0.31 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.98 3hkb h LEU 230 Cb -0.07 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3hkb h LEU 230 CO -0.06 0.08 0.07 0.40 -0.34 0.00 0.00 178.44 178.59 3hkb h ILE 231 N -0.07 0.95 -0.95 4.05 2.04 -0.99 -1.72 117.51 120.81 3hkb h ILE 231 Ca 0.00 -0.06 0.25 0.00 1.00 0.00 0.00 64.86 66.06 3hkb h ILE 231 Cb 0.08 0.77 -0.17 0.00 -0.74 0.00 0.00 36.82 36.75 3hkb h ILE 231 CO -0.00 0.03 0.02 1.23 0.00 0.00 0.00 178.15 179.43 3hkb h GLY 232 N 0.16 1.17 0.86 5.37 0.00 -0.47 0.38 103.07 110.55 3hkb h GLY 232 Ca 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3hkb h GLY 232 CO -0.09 -0.47 0.05 -1.61 0.00 0.00 0.00 176.54 174.42 3hkb h GLN 233 N 0.03 0.25 -0.65 4.80 5.75 -0.93 0.92 115.11 125.29 3hkb h GLN 233 Ca 0.57 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.98 3hkb h GLN 233 Cb 1.13 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 3hkb h GLN 233 CO -0.88 0.37 0.30 0.82 -2.65 0.00 0.00 178.83 176.79 3hkb h ILE 234 N 0.09 1.23 -0.58 2.39 5.03 -0.40 -0.59 117.51 124.67 3hkb h ILE 234 Ca 0.05 -0.67 -0.09 0.00 -0.12 0.00 0.00 64.86 64.04 3hkb h ILE 234 Cb 0.22 0.45 -0.02 0.00 -3.03 0.00 0.00 36.82 34.44 3hkb h ILE 234 CO -0.00 0.27 0.01 0.58 -0.68 0.00 0.00 178.15 178.33 3hkb h VAL 235 N 0.91 1.26 -0.42 1.67 2.07 -0.27 -2.77 116.25 118.70 3hkb h VAL 235 Ca 0.22 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3hkb h VAL 235 Cb 0.15 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3hkb h VAL 235 CO -0.02 0.40 0.14 -1.28 0.02 0.00 0.00 177.57 176.83 3hkb h SER 236 N 0.93 0.60 -0.21 0.57 0.87 -0.48 -2.00 113.55 113.83 3hkb h SER 236 Ca 0.17 -0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.60 3hkb h SER 236 Cb 0.52 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3hkb h SER 236 CO 0.03 0.63 0.17 0.28 -0.53 0.00 0.00 176.83 177.40 3hkb h SER 237 N 0.53 0.00 0.00 6.23 0.02 -0.91 0.55 113.55 119.97 3hkb h SER 237 Ca 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3hkb h SER 237 Cb 0.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3hkb h SER 237 CO -0.01 0.00 -0.13 0.40 -1.14 0.00 0.00 176.83 175.96 3hkb h ILE 238 N 0.00 1.11 -0.77 3.27 2.04 -1.20 -3.36 117.51 118.61 3hkb h ILE 238 Ca 0.10 -1.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.05 3hkb h ILE 238 Cb 0.44 2.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3hkb h ILE 238 CO -0.00 0.38 0.37 0.71 0.00 0.00 0.00 178.15 179.60 3hkb h THR 239 N -1.00 1.25 -0.09 -0.27 1.35 -1.01 -3.29 112.91 109.84 3hkb h THR 239 Ca -0.03 -0.70 0.01 0.00 -0.55 0.00 0.00 66.41 65.14 3hkb h THR 239 Cb 0.71 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 3hkb h THR 239 CO -0.02 0.29 -0.05 0.00 -0.25 0.00 0.00 175.52 175.49 3hkb n ALA 240 N -2.39 -0.06 -0.35 6.62 0.00 0.19 -0.38 120.51 124.14 3hkb n ALA 240 Ca 0.07 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.66 3hkb n ALA 240 Cb 0.14 -0.01 0.16 0.00 0.00 0.00 0.00 19.45 19.73 3hkb n ALA 240 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hkb n SER 241 N -4.02 -0.32 -1.61 0.00 3.41 -1.24 -0.76 113.62 109.08 3hkb n SER 241 Ca 0.00 1.68 0.08 0.00 -0.26 0.00 0.00 58.87 60.38 3hkb n SER 241 Cb 0.02 -0.52 0.36 0.00 -0.26 0.00 0.00 64.21 63.81 3hkb n SER 241 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hkb n LEU 242 N -5.58 5.06 -0.09 1.04 -0.00 0.49 -2.27 117.00 115.66 3hkb n LEU 242 Ca 0.17 -2.74 -0.10 0.00 -0.00 0.00 0.00 56.01 53.34 3hkb n LEU 242 Cb 0.52 -0.61 -0.12 0.00 -0.00 0.00 0.00 43.42 43.21 3hkb n LEU 242 CO -0.11 0.71 -1.06 0.54 -0.00 0.00 0.00 177.39 177.46 3hkb n ARG 243 N 0.64 1.14 -0.12 1.47 1.74 0.06 -4.76 116.66 116.84 3hkb n ARG 243 Ca 0.26 0.03 -0.25 0.00 -0.77 0.00 0.00 57.85 57.12 3hkb n ARG 243 Cb 1.03 -1.41 -0.08 0.00 -1.02 0.00 0.00 32.46 30.98 3hkb n ARG 243 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hkb n PHE 244 N -2.74 0.00 0.00 -1.55 3.01 -1.15 -2.70 117.46 112.33 3hkb n PHE 244 Ca -0.29 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.17 3hkb n PHE 244 Cb 0.97 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 3hkb n PHE 244 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3hkb n ASP 245 N -4.02 0.00 -3.75 4.37 -0.08 -1.22 -4.65 116.55 107.20 3hkb n ASP 245 Ca -0.46 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.52 3hkb n ASP 245 Cb 0.83 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 44.14 3hkb n ASP 245 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3hkb s GLY 246 N 0.00 1.09 0.00 0.27 0.00 -0.96 -5.06 107.32 102.67 3hkb s GLY 246 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.05 3hkb s GLY 246 CO 0.00 1.58 0.00 0.00 0.00 0.00 0.00 173.10 174.68 3hkb n ALA 247 N 4.83 0.00 -4.06 3.20 0.00 -1.26 -4.71 120.51 118.51 3hkb n ALA 247 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3hkb n ALA 247 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 3hkb n ALA 247 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3hkb n LEU 248 N 0.00 0.00 -1.90 0.00 -0.00 -1.26 -4.77 117.00 109.07 3hkb n LEU 248 Ca 0.00 -1.26 -0.17 0.00 -0.00 0.00 0.00 56.01 54.58 3hkb n LEU 248 Cb 0.00 0.29 -0.02 0.00 -0.00 0.00 0.00 43.42 43.70 3hkb n LEU 248 CO 0.00 -0.19 -0.22 0.59 -0.00 0.00 0.00 177.39 177.58 3hkb n ASN 249 N -1.53 -5.08 -0.66 1.45 4.13 -1.26 -4.91 115.26 107.39 3hkb n ASN 249 Ca -0.05 0.03 0.09 0.00 1.68 0.00 0.00 54.58 56.34 3hkb n ASN 249 Cb 0.25 -4.17 0.30 0.00 -1.54 0.00 0.00 39.78 34.62 3hkb n ASN 249 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 3hkb n VAL 250 N -3.85 0.34 -3.68 2.41 3.14 -1.26 -4.27 118.33 111.16 3hkb n VAL 250 Ca -0.20 -0.44 -0.15 0.00 -2.96 0.00 0.00 64.34 60.59 3hkb n VAL 250 Cb 0.65 0.39 -0.08 0.00 -1.06 0.00 0.00 33.84 33.74 3hkb n VAL 250 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hkb s ASP 251 N -1.38 -0.43 0.54 6.55 2.15 -1.26 -4.89 116.67 117.94 3hkb s ASP 251 Ca 0.31 0.58 0.25 0.00 0.43 0.00 0.00 52.55 54.13 3hkb s ASP 251 Cb 0.17 0.63 1.41 0.00 -0.30 0.00 0.00 42.92 44.83 3hkb s ASP 251 CO 0.24 -0.39 2.00 -0.07 -0.17 0.00 0.00 175.17 176.78 3hkb h LEU 252 N 4.18 0.00 0.28 -1.34 -0.00 -1.93 0.81 115.31 117.31 3hkb h LEU 252 Ca -0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.58 3hkb h LEU 252 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 3hkb h LEU 252 CO 0.32 0.00 -0.13 0.74 -0.00 0.00 0.00 178.44 179.37 3hkb h THR 253 N 0.00 0.66 0.00 0.22 2.02 -1.96 -3.29 112.91 110.56 3hkb h THR 253 Ca 0.23 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 3hkb h THR 253 Cb 0.95 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3hkb h THR 253 CO -0.00 0.14 -0.33 -0.08 0.37 0.00 0.00 175.52 175.62 3hkb h GLU 254 N -0.86 0.00 -0.60 6.66 4.81 -1.47 0.32 114.58 123.44 3hkb h GLU 254 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3hkb h GLU 254 Cb 0.51 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3hkb h GLU 254 CO 0.06 0.33 0.32 0.35 -0.73 0.00 0.00 179.01 179.34 3hkb h PHE 255 N 0.00 0.84 0.00 0.92 3.04 0.45 -3.31 116.94 118.87 3hkb h PHE 255 Ca -0.00 -0.03 -0.25 0.00 3.98 0.00 0.00 57.97 61.67 3hkb h PHE 255 Cb 0.68 -0.27 -0.05 0.00 2.56 0.00 0.00 35.95 38.88 3hkb h PHE 255 CO 0.00 0.62 -2.24 0.00 -2.02 0.00 0.00 178.31 174.66 3hkb n GLN 256 N -4.56 0.73 0.25 1.11 10.64 -1.05 -3.82 117.38 120.68 3hkb n GLN 256 Ca 0.04 -0.06 0.08 0.00 -1.83 0.00 0.00 57.00 55.22 3hkb n GLN 256 Cb 0.10 -1.51 0.27 0.00 -0.86 0.00 0.00 30.24 28.24 3hkb n GLN 256 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3hkb h THR 257 N 0.00 0.02 0.19 -0.39 2.02 -0.46 0.91 112.91 115.20 3hkb h THR 257 Ca -0.38 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.48 3hkb h THR 257 Cb 1.85 0.18 0.02 0.00 -1.74 0.00 0.00 68.15 68.46 3hkb h THR 257 CO 0.02 0.00 -1.55 0.78 0.37 0.00 0.00 175.52 175.14 3hkb h ASN 258 N 0.00 0.64 0.16 4.18 -0.26 -1.66 -3.41 115.58 115.22 3hkb h ASN 258 Ca 0.07 -0.92 -0.36 0.00 -0.56 0.00 0.00 56.30 54.53 3hkb h ASN 258 Cb 1.78 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 38.80 3hkb h ASN 258 CO -0.00 1.71 -2.00 0.18 -1.06 0.00 0.00 177.43 176.26 3hkb n LEU 259 N -3.72 2.45 -4.45 1.61 4.77 0.31 -4.85 117.00 113.11 3hkb n LEU 259 Ca -0.22 0.21 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 3hkb n LEU 259 Cb 1.04 -0.96 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 3hkb n LEU 259 CO 0.52 0.81 -0.26 0.68 -1.33 0.00 0.00 177.39 177.81 3hkb s VAL 260 N -2.56 4.43 -0.20 4.08 -7.23 -0.84 -4.65 120.40 113.43 3hkb s VAL 260 Ca -0.21 -0.20 0.20 0.00 -1.81 0.00 0.00 61.98 59.96 3hkb s VAL 260 Cb 0.07 -3.11 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 3hkb s VAL 260 CO 0.77 0.28 1.00 1.55 -0.31 0.00 0.00 175.10 178.39 3hkb h PRO 261 N 8.27 0.00 -3.82 4.82 0.13 -1.90 -3.46 132.00 136.04 3hkb h PRO 261 Ca -0.37 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.49 3hkb h PRO 261 Cb 1.17 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.00 3hkb h PRO 261 CO 0.58 0.12 -0.73 0.71 -0.23 0.00 0.00 178.00 178.45 3hkb s TYR 262 N -3.18 0.13 0.34 1.56 1.51 -1.26 -5.04 117.35 111.41 3hkb s TYR 262 Ca -0.01 -0.00 0.13 0.00 -1.01 0.00 0.00 57.07 56.18 3hkb s TYR 262 Cb 0.09 -0.14 1.09 0.00 -0.11 0.00 0.00 41.96 42.89 3hkb s TYR 262 CO 0.79 -0.03 1.61 -1.35 -1.11 0.00 0.00 175.55 175.46 3hkb h PRO 263 N 6.40 0.11 0.00 -1.71 0.11 -1.97 -3.21 132.00 131.72 3hkb h PRO 263 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3hkb h PRO 263 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hkb h PRO 263 CO 0.50 0.07 0.00 0.54 -0.21 0.00 0.00 178.00 178.90 3hkb n ARG 264 N -5.25 0.00 -2.27 1.05 1.74 -1.26 -4.60 116.66 106.08 3hkb n ARG 264 Ca 0.32 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 3hkb n ARG 264 Cb 1.04 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.48 3hkb n ARG 264 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3hkb n ILE 265 N 0.00 0.00 0.42 0.55 -0.00 -1.21 -4.68 119.36 114.44 3hkb n ILE 265 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 62.87 3hkb n ILE 265 Cb 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 39.64 39.90 3hkb n ILE 265 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 3hkb h HIS 266 N 1.87 0.00 -3.37 1.39 3.86 -1.81 -3.42 115.15 113.68 3hkb h HIS 266 Ca 0.00 0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.48 3hkb h HIS 266 Cb 0.00 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 28.23 3hkb h HIS 266 CO 0.00 0.00 -0.38 -0.06 0.86 0.00 0.00 177.93 178.35 3hkb s PHE 267 N -3.17 3.28 0.29 2.45 0.40 -1.26 -2.28 117.98 117.69 3hkb s PHE 267 Ca 0.08 -1.14 -0.17 0.00 -0.60 0.00 0.00 56.93 55.10 3hkb s PHE 267 Cb 0.09 -3.07 -0.09 0.00 0.51 0.00 0.00 43.02 40.46 3hkb s PHE 267 CO 0.65 -0.81 0.74 -2.14 0.70 0.00 0.00 175.22 174.36 3hkb s PRO 268 N 1.56 4.10 -0.29 0.24 0.02 -1.24 -4.54 135.00 134.85 3hkb s PRO 268 Ca 0.04 0.76 -0.17 0.00 0.02 0.00 0.00 61.00 61.65 3hkb s PRO 268 Cb -0.24 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 3hkb s PRO 268 CO 0.05 0.24 0.45 -1.17 -0.33 0.00 0.00 177.00 176.23 3hkb s LEU 269 N -2.62 4.12 -0.09 -5.54 0.20 0.62 -4.25 118.68 111.12 3hkb s LEU 269 Ca 0.50 0.28 -0.16 0.00 0.69 0.00 0.00 54.13 55.45 3hkb s LEU 269 Cb -0.13 -2.53 -0.05 0.00 -0.43 0.00 0.00 46.19 43.06 3hkb s LEU 269 CO 0.19 -0.28 0.39 0.00 -0.29 0.00 0.00 176.35 176.36 3hkb s ALA 270 N 2.21 3.59 -0.17 5.97 0.00 -1.26 -2.13 121.76 129.98 3hkb s ALA 270 Ca 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 3hkb s ALA 270 Cb -0.16 -2.47 0.05 0.00 0.00 0.00 0.00 23.12 20.54 3hkb s ALA 270 CO 0.10 0.20 0.02 0.99 0.00 0.00 0.00 175.76 177.08 3hkb s THR 271 N -0.04 0.56 0.01 0.00 2.01 -1.12 -3.00 115.64 114.07 3hkb s THR 271 Ca 0.22 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 3hkb s THR 271 Cb -0.15 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 3hkb s THR 271 CO 0.09 -0.08 0.26 -0.47 -0.69 0.00 0.00 174.62 173.74 3hkb s TYR 272 N 1.85 3.57 0.00 4.92 5.04 -1.24 -3.93 117.35 127.56 3hkb s TYR 272 Ca 0.00 0.54 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 3hkb s TYR 272 Cb -0.16 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.18 3hkb s TYR 272 CO -0.07 0.61 0.00 0.00 -1.34 0.00 0.00 175.55 174.75 3hkb n ALA 273 N 1.06 0.00 -2.54 3.97 0.00 -0.94 -4.71 120.51 117.35 3hkb n ALA 273 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 3hkb n ALA 273 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 3hkb n ALA 273 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hkb s PRO 274 N 0.00 3.45 -0.45 0.00 0.04 -1.26 -4.90 135.00 131.88 3hkb s PRO 274 Ca 0.00 -0.20 -0.09 0.00 0.04 0.00 0.00 61.00 60.75 3hkb s PRO 274 Cb 0.00 -3.89 0.10 0.00 0.04 0.00 0.00 34.50 30.75 3hkb s PRO 274 CO 0.00 -0.89 0.31 0.08 0.04 0.00 0.00 177.00 176.54 3hkb s VAL 275 N 2.76 4.17 -0.07 -0.36 1.01 -1.26 -5.04 120.40 121.61 3hkb s VAL 275 Ca 0.23 -1.67 -0.01 0.00 0.00 0.00 0.00 61.98 60.54 3hkb s VAL 275 Cb -0.14 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.58 3hkb s VAL 275 CO 0.17 -0.68 -0.01 -0.51 0.00 0.00 0.00 175.10 174.08 3hkb s ILE 276 N 1.37 0.40 0.09 2.22 1.10 -1.26 -4.84 121.20 120.28 3hkb s ILE 276 Ca 0.05 0.08 -0.31 0.00 -0.51 0.00 0.00 60.65 59.96 3hkb s ILE 276 Cb -0.25 -0.53 -0.09 0.00 0.15 0.00 0.00 42.46 41.73 3hkb s ILE 276 CO 0.00 0.25 1.79 -0.94 -2.11 0.00 0.00 174.94 173.93 3hkb s SER 277 N 1.75 6.48 0.22 4.50 1.04 -1.26 -1.87 113.70 124.57 3hkb s SER 277 Ca 0.02 2.66 -0.31 0.00 0.48 0.00 0.00 55.95 58.79 3hkb s SER 277 Cb -0.13 -2.56 -0.15 0.00 0.10 0.00 0.00 66.02 63.29 3hkb s SER 277 CO -0.04 -0.98 1.16 0.00 0.98 0.00 0.00 173.24 174.36 3hkb n ALA 278 N 5.93 -0.27 0.00 5.32 0.00 0.15 -0.43 120.51 131.22 3hkb n ALA 278 Ca 0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3hkb n ALA 278 Cb 0.39 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3hkb n ALA 278 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hkb n GLU 279 N 1.49 0.00 0.00 0.00 0.00 -1.26 -4.80 120.64 116.07 3hkb n GLU 279 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.41 3hkb n GLU 279 Cb 0.28 0.00 0.23 0.00 0.00 0.00 0.00 31.44 31.95 3hkb n GLU 279 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hkb n LYS 280 N -0.21 1.08 -0.30 5.31 5.02 0.43 -4.65 118.16 124.84 3hkb n LYS 280 Ca 0.00 -0.76 0.12 0.00 -2.02 0.00 0.00 58.31 55.65 3hkb n LYS 280 Cb 0.00 -1.48 0.26 0.00 -0.02 0.00 0.00 35.03 33.79 3hkb n LYS 280 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hkb h ALA 281 N 3.83 1.13 0.00 7.82 0.00 -1.87 -0.77 119.26 129.40 3hkb h ALA 281 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hkb h ALA 281 Cb 0.62 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hkb h ALA 281 CO 0.00 -0.49 0.00 0.66 0.00 0.00 0.00 179.25 179.42 3hkb n TYR 282 N -5.32 0.00 -1.77 0.00 4.02 -1.26 -4.84 117.16 107.99 3hkb n TYR 282 Ca 0.20 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.79 3hkb n TYR 282 Cb 0.66 -0.01 0.20 0.00 -0.02 0.00 0.00 39.34 40.16 3hkb n TYR 282 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 3hkb s HIS 283 N -1.89 1.38 0.24 -0.72 3.76 -0.30 -5.00 115.29 112.76 3hkb s HIS 283 Ca 0.00 0.35 -0.31 0.00 -0.15 0.00 0.00 55.06 54.95 3hkb s HIS 283 Cb 0.00 -3.99 -0.11 0.00 1.11 0.00 0.00 32.58 29.59 3hkb s HIS 283 CO 0.00 -2.89 1.58 -1.21 -0.85 0.00 0.00 174.74 171.37 3hkb s GLU 284 N -5.80 4.17 0.24 1.40 0.41 -1.26 -4.97 118.70 112.89 3hkb s GLU 284 Ca 0.73 2.48 -0.30 0.00 -0.41 0.00 0.00 54.97 57.47 3hkb s GLU 284 Cb -0.05 -3.08 -0.09 0.00 -1.78 0.00 0.00 34.13 29.13 3hkb s GLU 284 CO 0.54 -0.61 1.13 1.14 -0.49 0.00 0.00 175.26 176.97 3hkb s GLN 285 N 0.23 4.58 0.20 1.61 -2.07 -1.26 -5.00 119.66 117.96 3hkb s GLN 285 Ca 0.66 1.83 -0.30 0.00 -1.82 0.00 0.00 55.36 55.73 3hkb s GLN 285 Cb -0.46 -3.21 -0.08 0.00 -1.09 0.00 0.00 33.01 28.17 3hkb s GLN 285 CO 0.40 0.09 1.02 -0.51 -1.32 0.00 0.00 175.29 174.97 3hkb s LEU 286 N -0.96 4.55 0.65 2.60 1.02 -1.26 -5.02 118.68 120.26 3hkb s LEU 286 Ca 0.48 2.02 -0.16 0.00 0.02 0.00 0.00 54.13 56.48 3hkb s LEU 286 Cb -0.32 -3.61 -0.00 0.00 0.02 0.00 0.00 46.19 42.28 3hkb s LEU 286 CO 0.39 -0.06 1.15 -0.94 0.02 0.00 0.00 176.35 176.92 3hkb s SER 287 N -0.55 4.96 0.56 2.29 1.04 -1.26 -4.82 113.70 115.91 3hkb s SER 287 Ca 0.45 2.17 0.26 0.00 0.48 0.00 0.00 55.95 59.31 3hkb s SER 287 Cb -0.28 -2.57 1.51 0.00 0.10 0.00 0.00 66.02 64.79 3hkb s SER 287 CO 0.34 -1.74 2.06 0.58 0.98 0.00 0.00 173.24 175.46 3hkb h VAL 288 N 0.21 0.62 0.07 5.02 2.07 -1.97 0.59 116.25 122.85 3hkb h VAL 288 Ca -0.48 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 66.75 3hkb h VAL 288 Cb 1.27 0.81 0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3hkb h VAL 288 CO 0.53 0.00 -1.17 0.00 0.02 0.00 0.00 177.57 176.96 3hkb h ALA 289 N 1.77 0.05 -0.33 1.67 0.00 -1.91 -3.05 119.26 117.47 3hkb h ALA 289 Ca 0.13 -0.74 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 3hkb h ALA 289 Cb 0.63 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hkb h ALA 289 CO -0.00 0.69 -0.30 1.49 0.00 0.00 0.00 179.25 181.13 3hkb h GLU 290 N 0.33 0.69 0.02 0.00 4.81 -1.27 -1.94 114.58 117.23 3hkb h GLU 290 Ca -0.16 -0.31 -0.23 0.00 -0.13 0.00 0.00 59.36 58.53 3hkb h GLU 290 Cb 1.83 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.17 3hkb h GLU 290 CO 0.23 0.90 -1.12 -0.84 -0.73 0.00 0.00 179.01 177.45 3hkb h ILE 291 N 0.59 1.59 -0.71 2.32 3.07 -1.45 -2.81 117.51 120.12 3hkb h ILE 291 Ca 0.07 -3.29 -0.01 0.00 1.55 0.00 0.00 64.86 63.18 3hkb h ILE 291 Cb 0.80 2.83 -0.03 0.00 -0.27 0.00 0.00 36.82 40.14 3hkb h ILE 291 CO 0.07 0.92 0.41 0.74 -1.05 0.00 0.00 178.15 179.24 3hkb h THR 292 N 0.01 1.21 0.00 0.16 2.02 -1.48 -2.63 112.91 112.20 3hkb h THR 292 Ca -0.06 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 3hkb h THR 292 Cb 1.83 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3hkb h THR 292 CO 0.14 0.22 -0.27 0.78 0.37 0.00 0.00 175.52 176.77 3hkb h ASN 293 N 0.97 0.00 -0.55 4.18 2.35 -1.31 -2.70 115.58 118.51 3hkb h ASN 293 Ca 0.25 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.04 3hkb h ASN 293 Cb -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3hkb h ASN 293 CO -0.04 0.27 0.37 0.00 -1.65 0.00 0.00 177.43 176.37 3hkb h ALA 294 N 1.73 1.75 0.00 -0.83 0.00 -1.20 -2.57 119.26 118.15 3hkb h ALA 294 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hkb h ALA 294 Cb 0.50 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hkb h ALA 294 CO 0.03 0.18 -0.10 0.00 0.00 0.00 0.00 179.25 179.37 3hkb n PHE 296 N -3.81 2.99 -3.83 0.00 3.01 -0.97 -4.84 117.46 110.01 3hkb n PHE 296 Ca -0.02 -2.64 -0.29 0.00 1.01 0.00 0.00 57.45 55.51 3hkb n PHE 296 Cb 0.20 -1.13 -0.16 0.00 -0.01 0.00 0.00 39.48 38.37 3hkb n PHE 296 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3hkb s GLU 297 N -3.68 1.08 0.35 -1.08 2.56 -0.95 -5.03 118.70 111.96 3hkb s GLU 297 Ca 0.60 -0.66 0.12 0.00 0.00 0.00 0.00 54.97 55.03 3hkb s GLU 297 Cb 0.48 -2.31 0.94 0.00 2.00 0.00 0.00 34.13 35.25 3hkb s GLU 297 CO 0.02 -0.62 1.77 -1.00 -0.56 0.00 0.00 175.26 174.87 3hkb h PRO 298 N 8.12 0.53 0.00 4.30 0.13 -1.88 0.18 132.00 143.38 3hkb h PRO 298 Ca -0.17 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3hkb h PRO 298 Cb 1.10 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3hkb h PRO 298 CO 0.37 0.35 0.08 0.00 -0.23 0.00 0.00 178.00 178.57 3hkb n ALA 299 N -2.39 0.89 0.09 -0.56 0.00 -1.26 -0.01 120.51 117.27 3hkb n ALA 299 Ca 0.25 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.70 3hkb n ALA 299 Cb 0.74 -0.79 0.02 0.00 0.00 0.00 0.00 19.45 19.42 3hkb n ALA 299 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hkb n ASN 300 N -1.27 1.42 -3.42 0.00 3.02 0.65 -4.81 115.26 110.85 3hkb n ASN 300 Ca 0.00 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 3hkb n ASN 300 Cb 0.08 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3hkb n ASN 300 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hkb n GLN 301 N 0.09 0.98 0.00 3.52 6.02 0.99 -3.70 117.38 125.28 3hkb n GLN 301 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3hkb n GLN 301 Cb 0.11 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.37 3hkb n GLN 301 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3hkb n MET 302 N -0.01 0.00 -3.84 -1.09 2.81 -1.16 -4.79 117.12 109.04 3hkb n MET 302 Ca 0.00 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.63 3hkb n MET 302 Cb 0.00 -0.05 -0.17 0.00 -0.71 0.00 0.00 33.22 32.29 3hkb n MET 302 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hkb s VAL 303 N 0.00 0.78 -0.37 2.03 1.01 -1.26 -0.54 120.40 122.05 3hkb s VAL 303 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 3hkb s VAL 303 Cb 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3hkb s VAL 303 CO 0.00 0.19 2.02 -0.54 0.00 0.00 0.00 175.10 176.77 3hkb s LYS 304 N 1.79 2.95 0.00 2.72 1.02 -1.26 -4.82 119.74 122.13 3hkb s LYS 304 Ca 0.03 1.45 0.00 0.00 0.02 0.00 0.00 55.97 57.47 3hkb s LYS 304 Cb -0.14 -4.34 0.00 0.00 -0.52 0.00 0.00 37.83 32.83 3hkb s LYS 304 CO -0.07 -2.31 0.00 0.00 -0.92 0.00 0.00 175.35 172.05 3hkb s ASP 306 N 1.82 -0.09 0.00 0.00 2.15 -1.26 -4.97 116.67 114.31 3hkb s ASP 306 Ca 0.00 0.00 0.18 0.00 0.43 0.00 0.00 52.55 53.17 3hkb s ASP 306 Cb 0.00 1.34 0.53 0.00 -0.30 0.00 0.00 42.92 44.48 3hkb s ASP 306 CO 0.00 -0.32 1.42 -0.81 -0.17 0.00 0.00 175.17 175.29 3hkb n PRO 307 N 5.37 2.07 -1.99 4.34 -0.05 -1.26 -3.71 135.00 139.78 3hkb n PRO 307 Ca -0.00 -1.65 -0.37 0.00 -0.05 0.00 0.00 63.50 61.43 3hkb n PRO 307 Cb 0.50 -1.41 0.01 0.00 -0.05 0.00 0.00 33.50 32.56 3hkb n PRO 307 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3hkb n ARG 308 N 0.85 3.39 0.18 0.54 3.00 -1.26 -4.23 116.66 119.13 3hkb n ARG 308 Ca 0.17 -3.51 0.00 0.00 -0.01 0.00 0.00 57.85 54.50 3hkb n ARG 308 Cb 0.42 -2.31 0.00 0.00 0.00 0.00 0.00 32.46 30.57 3hkb n ARG 308 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 3hkb n HIS 309 N 0.04 -4.22 -1.03 -1.55 -0.00 -1.24 -5.12 115.22 102.10 3hkb n HIS 309 Ca 0.52 1.26 0.00 0.00 -0.00 0.00 0.00 57.72 59.50 3hkb n HIS 309 Cb 0.30 3.23 0.00 0.00 -0.00 0.00 0.00 29.99 33.53 3hkb n HIS 309 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hkb n GLY 310 N -1.49 -0.47 3.44 1.57 0.00 -1.25 -5.03 105.19 101.96 3hkb n GLY 310 Ca 0.00 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 3hkb n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkb s LYS 311 N -1.70 1.59 -0.08 1.61 1.02 -1.26 -4.88 119.74 116.03 3hkb s LYS 311 Ca 0.00 -1.69 -0.17 0.00 0.02 0.00 0.00 55.97 54.12 3hkb s LYS 311 Cb 0.00 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.61 3hkb s LYS 311 CO 0.00 0.31 0.46 0.71 -0.92 0.00 0.00 175.35 175.91 3hkb s TYR 312 N -2.46 3.58 -0.35 3.18 1.51 0.13 -1.22 117.35 121.71 3hkb s TYR 312 Ca 0.27 0.92 0.03 0.00 -1.01 0.00 0.00 57.07 57.28 3hkb s TYR 312 Cb -0.05 -2.48 0.05 0.00 -0.11 0.00 0.00 41.96 39.37 3hkb s TYR 312 CO 0.13 0.30 0.77 0.00 -1.11 0.00 0.00 175.55 175.64 3hkb n MET 313 N 3.13 0.71 -3.64 -0.62 0.00 -0.74 -0.65 117.12 115.31 3hkb n MET 313 Ca -0.09 -1.04 -0.08 0.00 0.00 0.00 0.00 57.70 56.49 3hkb n MET 313 Cb 0.52 -1.07 -0.07 0.00 0.00 0.00 0.00 33.22 32.60 3hkb n MET 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hkb s ALA 314 N -0.53 -2.01 0.17 3.17 0.00 -1.24 -4.93 121.76 116.39 3hkb s ALA 314 Ca 0.05 1.98 0.05 0.00 0.00 0.00 0.00 51.96 54.04 3hkb s ALA 314 Cb 0.03 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 3hkb s ALA 314 CO 0.04 -0.27 -0.10 0.00 0.00 0.00 0.00 175.76 175.43 3hkb s LEU 317 N 1.35 4.21 -0.58 0.00 1.43 -0.50 -1.61 118.68 122.99 3hkb s LEU 317 Ca 0.21 1.60 -0.02 0.00 -1.03 0.00 0.00 54.13 54.90 3hkb s LEU 317 Cb 0.05 -3.55 0.15 0.00 0.03 0.00 0.00 46.19 42.87 3hkb s LEU 317 CO -0.10 -0.59 0.38 -0.76 0.23 0.00 0.00 176.35 175.51 3hkb s LEU 318 N 2.59 5.08 0.34 1.79 1.02 -1.26 -1.06 118.68 127.18 3hkb s LEU 318 Ca 0.51 -2.80 -0.25 0.00 0.02 0.00 0.00 54.13 51.60 3hkb s LEU 318 Cb -0.20 -1.81 -0.10 0.00 0.02 0.00 0.00 46.19 44.10 3hkb s LEU 318 CO 0.16 -0.36 0.97 -0.31 0.02 0.00 0.00 176.35 176.82 3hkb s TYR 319 N 0.02 3.59 0.01 0.29 1.51 0.12 -2.31 117.35 120.58 3hkb s TYR 319 Ca 0.16 1.74 0.04 0.00 -1.01 0.00 0.00 57.07 58.01 3hkb s TYR 319 Cb -0.21 -2.96 -0.01 0.00 -0.11 0.00 0.00 41.96 38.67 3hkb s TYR 319 CO -0.03 0.03 -0.14 1.03 -1.11 0.00 0.00 175.55 175.34 3hkb s ARG 320 N -2.21 1.05 0.18 -0.62 0.52 0.61 -1.20 118.95 117.28 3hkb s ARG 320 Ca 0.52 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 3hkb s ARG 320 Cb -0.19 -1.03 0.00 0.00 0.52 0.00 0.00 34.95 34.26 3hkb s ARG 320 CO 0.24 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.24 3hkb n GLY 321 N 2.48 -2.41 3.66 -3.53 0.00 0.13 -1.09 105.19 104.42 3hkb n GLY 321 Ca -0.15 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 3hkb n GLY 321 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hkb s ASP 322 N -2.95 6.77 -0.20 1.61 2.15 -1.24 -3.95 116.67 118.85 3hkb s ASP 322 Ca 0.00 2.02 -0.25 0.00 0.43 0.00 0.00 52.55 54.76 3hkb s ASP 322 Cb 0.00 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.15 3hkb s ASP 322 CO 0.00 -0.87 0.66 -0.69 -0.17 0.00 0.00 175.17 174.11 3hkb s VAL 323 N 3.84 0.00 -0.07 1.11 1.01 -1.26 -4.84 120.40 120.20 3hkb s VAL 323 Ca 0.66 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.66 3hkb s VAL 323 Cb -0.29 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3hkb s VAL 323 CO 0.24 -0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.49 3hkb s VAL 324 N -0.02 2.93 0.35 2.92 1.01 -1.26 -5.00 120.40 121.33 3hkb s VAL 324 Ca -0.03 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.29 3hkb s VAL 324 Cb -0.04 -2.16 0.32 0.00 0.00 0.00 0.00 36.38 34.51 3hkb s VAL 324 CO 0.03 0.57 1.85 -0.65 0.00 0.00 0.00 175.10 176.90 3hkb h PRO 325 N 5.71 0.67 -1.19 2.72 0.11 -2.02 -1.29 132.00 136.70 3hkb h PRO 325 Ca -0.41 -0.04 0.34 0.00 0.11 0.00 0.00 66.00 66.01 3hkb h PRO 325 Cb 1.17 -0.15 -0.09 0.00 0.11 0.00 0.00 31.00 32.03 3hkb h PRO 325 CO 0.51 0.44 0.80 -0.22 -0.21 0.00 0.00 178.00 179.32 3hkb h LYS 326 N 0.69 0.19 0.00 1.05 3.64 -1.99 0.20 116.57 120.35 3hkb h LYS 326 Ca 0.47 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.84 3hkb h LYS 326 Cb 0.79 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3hkb h LYS 326 CO -0.23 0.13 -0.00 -0.44 -2.27 0.00 0.00 179.45 176.63 3hkb h ASP 327 N 0.20 -0.00 -0.80 4.20 3.32 -1.65 -2.79 116.42 118.89 3hkb h ASP 327 Ca 0.66 -0.68 0.08 0.00 0.02 0.00 0.00 57.03 57.11 3hkb h ASP 327 Cb 2.08 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 41.57 3hkb h ASP 327 CO -0.24 0.83 0.47 0.58 -1.72 0.00 0.00 179.24 179.16 3hkb h VAL 328 N -0.99 0.96 0.69 -1.35 2.07 -1.18 1.12 116.25 117.57 3hkb h VAL 328 Ca -0.00 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3hkb h VAL 328 Cb 0.68 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3hkb h VAL 328 CO 0.00 0.15 -0.46 0.78 0.02 0.00 0.00 177.57 178.06 3hkb h ASN 329 N 0.82 -1.19 0.11 0.57 -0.26 -0.81 -0.10 115.58 114.73 3hkb h ASN 329 Ca 0.37 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 56.17 3hkb h ASN 329 Cb 0.27 0.36 -0.00 0.00 -1.06 0.00 0.00 38.32 37.88 3hkb h ASN 329 CO -0.21 -0.70 -0.05 0.00 -1.06 0.00 0.00 177.43 175.42 3hkb h ALA 330 N -0.95 1.50 0.06 -0.83 0.00 -0.97 -1.46 119.26 116.61 3hkb h ALA 330 Ca -0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hkb h ALA 330 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hkb h ALA 330 CO 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 179.25 179.34 3hkb h ALA 331 N 1.95 -0.08 -0.92 0.00 0.00 0.14 -3.30 119.26 117.05 3hkb h ALA 331 Ca -0.00 -0.28 0.20 0.00 0.00 0.00 0.00 54.91 54.83 3hkb h ALA 331 Cb 0.11 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3hkb h ALA 331 CO 0.01 -0.23 0.60 0.82 0.00 0.00 0.00 179.25 180.45 3hkb h ILE 332 N -0.73 0.68 -0.24 0.00 2.04 0.02 -1.82 117.51 117.47 3hkb h ILE 332 Ca -0.01 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.76 3hkb h ILE 332 Cb 0.60 0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 3hkb h ILE 332 CO 0.01 0.08 -0.36 0.00 0.00 0.00 0.00 178.15 177.89 3hkb h ALA 333 N 1.61 -0.37 0.00 1.87 0.00 -1.47 -2.29 119.26 118.60 3hkb h ALA 333 Ca 0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3hkb h ALA 333 Cb 1.15 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3hkb h ALA 333 CO -0.20 -0.81 0.00 0.25 0.00 0.00 0.00 179.25 178.49 3hkb n THR 334 N -5.42 0.59 -0.09 0.00 -2.24 -0.70 -2.16 114.28 104.26 3hkb n THR 334 Ca -0.02 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 3hkb n THR 334 Cb 0.34 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 3hkb n THR 334 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3hkb h ILE 335 N 0.00 1.28 -0.04 2.28 2.04 -1.25 -2.93 117.51 118.89 3hkb h ILE 335 Ca 0.00 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.22 3hkb h ILE 335 Cb 0.61 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3hkb h ILE 335 CO 0.00 0.53 0.01 0.07 0.00 0.00 0.00 178.15 178.76 3hkb h LYS 336 N 0.63 0.07 0.55 2.37 -0.00 -0.98 -2.99 116.57 116.21 3hkb h LYS 336 Ca 0.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.65 60.64 3hkb h LYS 336 Cb 1.05 -0.01 -0.02 0.00 -0.00 0.00 0.00 32.23 33.26 3hkb h LYS 336 CO 0.10 0.28 -0.47 1.15 -0.00 0.00 0.00 179.45 180.52 3hkb h THR 337 N -0.16 0.00 -1.73 0.07 2.02 -1.51 -3.22 112.91 108.38 3hkb h THR 337 Ca 0.01 0.00 -0.73 0.00 0.77 0.00 0.00 66.41 66.46 3hkb h THR 337 Cb 0.25 0.00 -0.29 0.00 -1.74 0.00 0.00 68.15 66.36 3hkb h THR 337 CO 0.00 0.00 0.81 0.29 0.37 0.00 0.00 175.52 176.99 3hkb n LYS 338 N -5.33 2.83 -2.35 6.66 4.01 -1.11 -4.96 118.16 117.92 3hkb n LYS 338 Ca -0.12 -3.59 -0.03 0.00 -0.51 0.00 0.00 58.31 54.06 3hkb n LYS 338 Cb 0.44 -2.27 0.01 0.00 -0.51 0.00 0.00 35.03 32.70 3hkb n LYS 338 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 3hkb n ARG 339 N -0.61 0.43 -3.15 1.97 1.85 -1.13 -4.94 116.66 111.08 3hkb n ARG 339 Ca 0.54 -0.87 -0.45 0.00 -1.00 0.00 0.00 57.85 56.07 3hkb n ARG 339 Cb 0.37 1.12 -0.04 0.00 -1.05 0.00 0.00 32.46 32.86 3hkb n ARG 339 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3hkb s THR 340 N -2.50 4.95 0.00 8.89 2.01 -1.26 -4.85 115.64 122.88 3hkb s THR 340 Ca 0.08 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 60.81 3hkb s THR 340 Cb -0.02 -4.49 0.00 0.00 0.01 0.00 0.00 72.50 68.00 3hkb s THR 340 CO 0.04 -1.11 0.68 2.30 -0.69 0.00 0.00 174.62 175.84 3hkb n ILE 341 N 5.33 0.00 -2.98 1.82 -0.00 -1.26 -4.94 119.36 117.33 3hkb n ILE 341 Ca -0.05 1.18 -0.12 0.00 -0.00 0.00 0.00 62.75 63.75 3hkb n ILE 341 Cb 0.43 -2.07 0.06 0.00 -0.00 0.00 0.00 39.64 38.06 3hkb n ILE 341 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3hkb n GLN 342 N -1.16 -3.28 -4.12 6.28 6.02 -1.26 -4.80 117.38 115.05 3hkb n GLN 342 Ca 0.00 0.67 -0.36 0.00 -0.01 0.00 0.00 57.00 57.31 3hkb n GLN 342 Cb 0.00 -5.00 -0.08 0.00 1.02 0.00 0.00 30.24 26.18 3hkb n GLN 342 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3hkb s PHE 343 N -3.29 3.34 0.10 1.08 0.40 -1.26 0.19 117.98 118.53 3hkb s PHE 343 Ca 0.20 0.30 -0.31 0.00 -0.60 0.00 0.00 56.93 56.52 3hkb s PHE 343 Cb -0.03 -1.89 -0.08 0.00 0.51 0.00 0.00 43.02 41.53 3hkb s PHE 343 CO 0.57 0.52 1.50 0.54 0.70 0.00 0.00 175.22 179.05 3hkb s VAL 344 N -0.73 3.13 0.00 -0.44 0.11 0.17 -4.85 120.40 117.80 3hkb s VAL 344 Ca 0.12 0.73 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 3hkb s VAL 344 Cb -0.12 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 3hkb s VAL 344 CO 0.03 0.03 0.00 -0.67 -3.33 0.00 0.00 175.10 171.16 3hkb n ASP 345 N 4.57 0.00 -2.01 3.54 -0.08 -1.26 -2.42 116.55 118.89 3hkb n ASP 345 Ca 0.13 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.17 3hkb n ASP 345 Cb 0.41 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.92 3hkb n ASP 345 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 3hkb n TRP 346 N 0.00 2.70 -4.61 -0.67 4.27 -1.26 -5.00 117.44 112.87 3hkb n TRP 346 Ca 0.00 -2.37 -0.29 0.00 -3.89 0.00 0.00 57.50 50.95 3hkb n TRP 346 Cb 0.00 -0.64 -0.08 0.00 -1.36 0.00 0.00 31.31 29.23 3hkb n TRP 346 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hkb n PRO 348 N -1.05 0.15 -3.43 0.00 -0.04 -1.26 -4.99 135.00 124.37 3hkb n PRO 348 Ca -0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.02 3hkb n PRO 348 Cb 0.66 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.06 3hkb n PRO 348 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hkb n THR 349 N -1.35 3.12 0.00 0.52 -2.24 -1.26 -4.91 114.28 108.16 3hkb n THR 349 Ca 0.00 -5.32 0.00 0.00 -2.27 0.00 0.00 64.05 56.46 3hkb n THR 349 Cb 0.00 -2.17 0.00 0.00 -2.10 0.00 0.00 70.33 66.06 3hkb n THR 349 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hkb n GLY 350 N 1.43 0.00 2.31 3.38 0.00 -1.26 -5.01 105.19 106.03 3hkb n GLY 350 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 3hkb n GLY 350 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hkb n PHE 351 N 0.00 -2.05 -2.67 1.61 3.01 -1.25 -4.99 117.46 111.12 3hkb n PHE 351 Ca 0.00 0.82 -0.43 0.00 1.01 0.00 0.00 57.45 58.85 3hkb n PHE 351 Cb 0.00 -3.04 -0.02 0.00 -0.01 0.00 0.00 39.48 36.41 3hkb n PHE 351 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3hkb s LYS 352 N -2.02 4.34 -0.17 -1.08 -0.14 -1.20 -4.88 119.74 114.59 3hkb s LYS 352 Ca 0.14 1.38 -0.06 0.00 -1.36 0.00 0.00 55.97 56.06 3hkb s LYS 352 Cb -0.04 -3.59 -0.04 0.00 -1.68 0.00 0.00 37.83 32.48 3hkb s LYS 352 CO 0.45 -0.47 0.05 0.08 -0.76 0.00 0.00 175.35 174.70 3hkb s VAL 353 N 2.59 4.65 -0.07 3.17 1.01 -1.26 -1.40 120.40 129.10 3hkb s VAL 353 Ca 0.46 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3hkb s VAL 353 Cb -0.17 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 3hkb s VAL 353 CO 0.12 0.49 -0.20 -0.83 0.00 0.00 0.00 175.10 174.68 3hkb s GLY 354 N 0.19 1.11 -0.08 4.51 0.00 -0.22 -4.75 107.32 108.08 3hkb s GLY 354 Ca 0.03 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 43.99 3hkb s GLY 354 CO 0.01 -0.34 -0.24 -0.42 0.00 0.00 0.00 173.10 172.11 3hkb s ILE 355 N 0.18 2.03 -0.29 0.90 1.01 -1.26 0.16 121.20 123.93 3hkb s ILE 355 Ca -0.10 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.56 3hkb s ILE 355 Cb -0.15 -1.74 0.08 0.00 0.01 0.00 0.00 42.46 40.66 3hkb s ILE 355 CO 0.05 0.56 -0.03 0.21 0.00 0.00 0.00 174.94 175.72 3hkb s ASN 356 N 0.18 4.45 0.56 3.58 2.47 -0.34 -4.16 114.94 121.68 3hkb s ASN 356 Ca -0.14 -1.65 0.25 0.00 0.42 0.00 0.00 52.86 51.73 3hkb s ASN 356 Cb -0.17 -1.48 1.58 0.00 -1.45 0.00 0.00 41.25 39.73 3hkb s ASN 356 CO 0.07 -0.28 2.18 1.88 -3.72 0.00 0.00 177.10 177.23 3hkb h TYR 357 N 7.76 0.00 -2.45 0.43 0.99 -1.88 0.36 116.97 122.17 3hkb h TYR 357 Ca -0.13 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.03 3hkb h TYR 357 Cb 1.04 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.75 3hkb h TYR 357 CO 0.54 0.00 1.29 -1.14 -0.00 0.00 0.00 178.16 178.85 3hkb s GLN 358 N -4.80 3.54 0.78 4.88 2.00 -1.26 -3.67 119.66 121.12 3hkb s GLN 358 Ca -0.05 1.86 -0.12 0.00 -2.00 0.00 0.00 55.36 55.05 3hkb s GLN 358 Cb 0.16 -4.19 0.07 0.00 0.80 0.00 0.00 33.01 29.84 3hkb s GLN 358 CO 0.60 -1.62 1.14 -2.14 -0.50 0.00 0.00 175.29 172.77 3hkb s PRO 359 N 5.38 1.98 0.20 1.67 0.02 -1.26 -3.24 135.00 139.75 3hkb s PRO 359 Ca 0.85 1.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.02 3hkb s PRO 359 Cb -0.29 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 3hkb s PRO 359 CO 0.34 -1.90 1.40 -1.25 -0.33 0.00 0.00 177.00 175.26 3hkb s PRO 360 N -4.45 4.32 0.26 5.54 0.04 -1.26 -4.82 135.00 134.63 3hkb s PRO 360 Ca 0.67 2.18 0.06 0.00 0.04 0.00 0.00 61.00 63.95 3hkb s PRO 360 Cb -0.22 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 3hkb s PRO 360 CO 0.51 -0.38 0.32 0.95 0.04 0.00 0.00 177.00 178.44 3hkb s THR 361 N 0.33 4.74 -0.00 1.26 -4.23 -1.26 -4.55 115.64 111.93 3hkb s THR 361 Ca 0.60 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 3hkb s THR 361 Cb -0.39 -3.62 -0.00 0.00 1.34 0.00 0.00 72.50 69.83 3hkb s THR 361 CO 0.38 -0.30 -0.02 0.68 -0.54 0.00 0.00 174.62 174.81 3hkb s VAL 362 N -2.07 0.18 0.06 2.29 -7.23 -1.26 -5.03 120.40 107.33 3hkb s VAL 362 Ca 0.35 -0.12 -0.32 0.00 -1.81 0.00 0.00 61.98 60.09 3hkb s VAL 362 Cb -0.08 -0.16 -0.11 0.00 0.56 0.00 0.00 36.38 36.58 3hkb s VAL 362 CO 0.28 0.04 1.86 0.52 -0.31 0.00 0.00 175.10 177.48 3hkb n VAL 363 N 2.99 0.48 0.23 1.32 0.31 -1.26 -4.86 118.33 117.53 3hkb n VAL 363 Ca -0.13 -0.09 0.07 0.00 -0.01 0.00 0.00 64.34 64.19 3hkb n VAL 363 Cb 0.59 -2.05 0.56 0.00 -0.91 0.00 0.00 33.84 32.03 3hkb n VAL 363 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3hkb h PRO 364 N 8.93 0.00 -0.13 5.55 0.13 -2.00 0.38 132.00 144.86 3hkb h PRO 364 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hkb h PRO 364 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3hkb h PRO 364 CO 0.94 0.19 0.00 0.41 -0.23 0.00 0.00 178.00 179.31 3hkb n GLY 365 N -0.83 0.34 0.00 1.56 0.00 -1.26 -4.98 105.19 100.02 3hkb n GLY 365 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3hkb n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkb n GLY 366 N 1.18 -1.77 0.10 -0.02 0.00 0.12 -5.03 105.19 99.78 3hkb n GLY 366 Ca 0.17 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 3hkb n GLY 366 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hkb n ASP 367 N -1.82 0.20 -4.88 1.61 8.00 -1.26 -4.89 116.55 113.51 3hkb n ASP 367 Ca 0.00 0.07 -0.29 0.00 0.71 0.00 0.00 54.79 55.28 3hkb n ASP 367 Cb 0.00 0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 41.84 3hkb n ASP 367 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hkb s LEU 368 N -5.62 4.17 0.65 0.64 1.02 -1.26 -0.67 118.68 117.60 3hkb s LEU 368 Ca -0.10 0.13 -0.06 0.00 0.02 0.00 0.00 54.13 54.12 3hkb s LEU 368 Cb 0.06 -2.78 0.04 0.00 0.02 0.00 0.00 46.19 43.53 3hkb s LEU 368 CO 0.82 0.12 0.96 0.00 0.02 0.00 0.00 176.35 178.27 3hkb s ALA 369 N -1.59 3.23 -0.04 4.21 0.00 -0.78 -4.37 121.76 122.42 3hkb s ALA 369 Ca 0.33 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 3hkb s ALA 369 Cb -0.12 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 3hkb s ALA 369 CO 0.26 -1.06 1.44 -1.59 0.00 0.00 0.00 175.76 174.81 3hkb s LYS 370 N -5.12 4.25 0.15 0.00 0.00 -1.26 -4.89 119.74 112.87 3hkb s LYS 370 Ca 0.57 1.97 0.06 0.00 0.00 0.00 0.00 55.97 58.57 3hkb s LYS 370 Cb -0.11 -3.71 -0.04 0.00 0.00 0.00 0.00 37.83 33.98 3hkb s LYS 370 CO 0.45 -0.67 0.02 0.08 0.00 0.00 0.00 175.35 175.24 3hkb s VAL 371 N 2.99 3.92 0.14 1.79 1.01 -1.26 -4.97 120.40 124.03 3hkb s VAL 371 Ca 0.65 -1.25 0.04 0.00 0.00 0.00 0.00 61.98 61.41 3hkb s VAL 371 Cb -0.30 -2.95 -0.18 0.00 0.00 0.00 0.00 36.38 32.94 3hkb s VAL 371 CO 0.25 -0.05 1.32 1.56 0.00 0.00 0.00 175.10 178.18 3hkb h GLN 372 N 2.85 0.12 -1.81 2.72 1.08 -1.95 -3.40 115.11 114.72 3hkb h GLN 372 Ca -0.47 -0.16 0.05 0.00 -1.45 0.00 0.00 58.65 56.62 3hkb h GLN 372 Cb 1.19 0.05 -0.23 0.00 -0.05 0.00 0.00 27.48 28.44 3hkb h GLN 372 CO 0.59 0.99 0.18 -0.98 -0.95 0.00 0.00 178.83 178.65 3hkb s ARG 373 N -2.96 0.59 0.19 1.46 1.70 -1.26 -3.72 118.95 114.95 3hkb s ARG 373 Ca -0.01 0.98 0.05 0.00 -0.47 0.00 0.00 55.73 56.28 3hkb s ARG 373 Cb 0.10 0.13 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 3hkb s ARG 373 CO 0.83 -0.12 -0.09 0.00 -1.08 0.00 0.00 175.30 174.84 3hkb s ALA 374 N 1.41 1.76 0.30 7.88 0.00 -0.25 -4.74 121.76 128.11 3hkb s ALA 374 Ca -0.09 -1.63 0.04 0.00 0.00 0.00 0.00 51.96 50.28 3hkb s ALA 374 Cb -0.04 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 3hkb s ALA 374 CO -0.16 -0.08 0.02 0.08 0.00 0.00 0.00 175.76 175.61 3hkb s VAL 375 N -3.22 1.27 0.00 0.00 1.01 -1.26 -0.28 120.40 117.92 3hkb s VAL 375 Ca 0.22 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.17 3hkb s VAL 375 Cb 0.02 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3hkb s VAL 375 CO 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 175.10 175.03 3hkb n MET 377 N -0.15 -0.20 -3.54 0.00 0.00 -1.24 -3.27 117.12 108.72 3hkb n MET 377 Ca 0.00 0.32 -0.37 0.00 0.00 0.00 0.00 57.70 57.65 3hkb n MET 377 Cb 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 33.22 32.70 3hkb n MET 377 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3hkb s LEU 378 N -0.47 4.10 -0.03 -0.89 1.43 -0.63 -2.78 118.68 119.41 3hkb s LEU 378 Ca 0.03 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3hkb s LEU 378 Cb -0.00 -2.26 0.02 0.00 0.03 0.00 0.00 46.19 43.97 3hkb s LEU 378 CO 0.06 -0.02 -0.04 -0.94 0.23 0.00 0.00 176.35 175.63 3hkb s SER 379 N 1.23 0.77 -1.09 2.29 1.04 -0.90 -2.14 113.70 114.89 3hkb s SER 379 Ca 0.12 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.27 3hkb s SER 379 Cb -0.14 -0.31 0.13 0.00 0.10 0.00 0.00 66.02 65.79 3hkb s SER 379 CO 0.07 -0.03 1.35 0.21 0.98 0.00 0.00 173.24 175.83 3hkb s ASN 380 N 0.65 6.81 0.07 7.02 3.04 -0.90 -0.28 114.94 131.35 3hkb s ASN 380 Ca -0.08 -2.39 0.03 0.00 0.04 0.00 0.00 52.86 50.45 3hkb s ASN 380 Cb -0.11 -2.44 -0.04 0.00 -1.54 0.00 0.00 41.25 37.12 3hkb s ASN 380 CO -0.00 -1.00 0.09 0.28 -3.04 0.00 0.00 177.10 173.42 3hkb s THR 381 N 2.70 4.61 -1.77 -5.21 -1.32 -1.26 -1.80 115.64 111.60 3hkb s THR 381 Ca 0.41 -0.71 0.26 0.00 -1.21 0.00 0.00 61.69 60.43 3hkb s THR 381 Cb -0.02 -3.22 0.62 0.00 -1.51 0.00 0.00 72.50 68.37 3hkb s THR 381 CO -0.04 0.14 1.90 0.35 -2.21 0.00 0.00 174.62 174.76 3hkb n THR 382 N 0.49 0.08 0.17 5.08 -2.24 -0.36 -2.89 114.28 114.61 3hkb n THR 382 Ca -0.09 0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 3hkb n THR 382 Cb 0.52 -0.61 0.26 0.00 -2.10 0.00 0.00 70.33 68.40 3hkb n THR 382 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hkb h ALA 383 N 3.46 0.94 -0.53 6.98 0.00 -1.87 -3.10 119.26 125.14 3hkb h ALA 383 Ca 0.00 -0.42 0.12 0.00 0.00 0.00 0.00 54.91 54.61 3hkb h ALA 383 Cb 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3hkb h ALA 383 CO 0.00 0.58 0.37 0.97 0.00 0.00 0.00 179.25 181.16 3hkb h ILE 384 N 0.00 0.81 -1.36 0.00 2.10 -1.90 -0.94 117.51 116.22 3hkb h ILE 384 Ca -0.00 -0.06 0.41 0.00 1.08 0.00 0.00 64.86 66.28 3hkb h ILE 384 Cb 1.02 0.63 -0.09 0.00 -1.09 0.00 0.00 36.82 37.28 3hkb h ILE 384 CO 0.06 0.03 0.93 0.00 -1.08 0.00 0.00 178.15 178.09 3hkb h ALA 385 N 1.74 2.97 -0.66 0.18 0.00 -1.79 0.75 119.26 122.46 3hkb h ALA 385 Ca 0.25 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.30 3hkb h ALA 385 Cb 0.76 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 3hkb h ALA 385 CO -0.04 -1.47 0.22 0.93 0.00 0.00 0.00 179.25 178.89 3hkb h GLU 386 N 0.10 0.36 0.00 0.00 5.08 -1.40 0.20 114.58 118.92 3hkb h GLU 386 Ca 0.74 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 3hkb h GLU 386 Cb 2.53 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.70 3hkb h GLU 386 CO -0.21 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 3hkb h ALA 387 N 1.49 1.00 0.00 3.43 0.00 -1.05 -1.39 119.26 122.73 3hkb h ALA 387 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 3hkb h ALA 387 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3hkb h ALA 387 CO -0.37 0.00 -0.81 -1.49 0.00 0.00 0.00 179.25 176.58 3hkb h TRP 388 N 0.00 0.00 0.00 0.00 -0.00 -0.64 -3.22 115.95 112.08 3hkb h TRP 388 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.83 3hkb h TRP 388 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.40 3hkb h TRP 388 CO 0.00 0.46 -0.31 0.00 -0.00 0.00 0.00 178.44 178.58 3hkb h ALA 389 N 1.54 0.06 -1.02 1.49 0.00 -0.72 -2.73 119.26 117.88 3hkb h ALA 389 Ca -0.05 -0.67 0.28 0.00 0.00 0.00 0.00 54.91 54.46 3hkb h ALA 389 Cb 1.40 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 3hkb h ALA 389 CO 0.05 0.17 0.71 0.00 0.00 0.00 0.00 179.25 180.18 3hkb h ARG 390 N -0.98 0.14 0.14 0.00 3.08 -1.42 0.70 114.38 116.04 3hkb h ARG 390 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hkb h ARG 390 Cb 1.09 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3hkb h ARG 390 CO -0.04 0.09 -0.07 1.25 -1.07 0.00 0.00 179.97 180.13 3hkb h LEU 391 N 0.14 -0.16 -1.29 3.04 5.85 -1.68 -3.28 115.31 117.93 3hkb h LEU 391 Ca 0.51 0.01 0.35 0.00 0.84 0.00 0.00 57.88 59.58 3hkb h LEU 391 Cb 1.77 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 42.72 3hkb h LEU 391 CO -0.09 0.01 0.71 0.44 -0.34 0.00 0.00 178.44 179.17 3hkb h ASP 392 N -0.45 0.39 0.25 1.25 3.45 -0.46 0.24 116.42 121.08 3hkb h ASP 392 Ca -0.02 0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 3hkb h ASP 392 Cb 0.15 0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3hkb h ASP 392 CO 0.03 -0.07 -0.12 -0.74 -1.57 0.00 0.00 179.24 176.77 3hkb h HIS 393 N 0.26 -0.31 0.08 4.55 2.76 0.12 0.20 115.15 122.80 3hkb h HIS 393 Ca 0.72 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.90 3hkb h HIS 393 Cb 1.96 0.10 -0.05 0.00 1.55 0.00 0.00 27.41 30.97 3hkb h HIS 393 CO -0.01 -0.14 -0.53 0.87 -1.30 0.00 0.00 177.93 176.83 3hkb h LYS 394 N -0.41 -0.70 -0.55 5.26 6.56 -0.65 -2.38 116.57 123.71 3hkb h LYS 394 Ca -0.03 0.05 0.11 0.00 -1.06 0.00 0.00 60.65 59.71 3hkb h LYS 394 Cb 0.31 0.16 -0.09 0.00 -0.57 0.00 0.00 32.23 32.04 3hkb h LYS 394 CO 0.06 -0.46 0.01 0.35 -2.06 0.00 0.00 179.45 177.35 3hkb h PHE 395 N -0.72 -0.01 -0.84 -1.35 3.57 -0.91 -0.46 116.94 116.23 3hkb h PHE 395 Ca 0.00 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.60 3hkb h PHE 395 Cb 0.75 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 3hkb h PHE 395 CO -0.47 -0.12 0.52 -0.44 -2.23 0.00 0.00 178.31 175.57 3hkb h ASP 396 N 0.13 0.83 1.42 0.41 3.32 -0.49 -1.84 116.42 120.20 3hkb h ASP 396 Ca 0.28 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 3hkb h ASP 396 Cb 0.43 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3hkb h ASP 396 CO -0.45 0.54 -0.40 0.25 -1.72 0.00 0.00 179.24 177.46 3hkb h LEU 397 N 0.96 0.00 0.00 1.55 6.46 -0.56 0.13 115.31 123.86 3hkb h LEU 397 Ca 0.36 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.11 3hkb h LEU 397 Cb 0.13 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 3hkb h LEU 397 CO -0.16 0.40 -0.11 0.24 -0.62 0.00 0.00 178.44 178.19 3hkb h MET 398 N 0.00 0.00 -0.69 1.25 2.86 -1.40 -3.38 114.93 113.56 3hkb h MET 398 Ca -0.00 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 3hkb h MET 398 Cb 1.21 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.84 3hkb h MET 398 CO 0.05 0.29 0.49 -0.92 1.06 0.00 0.00 176.91 177.88 3hkb h TYR 399 N -1.00 0.09 0.00 -0.22 3.20 -1.11 0.18 116.97 118.11 3hkb h TYR 399 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3hkb h TYR 399 Cb 0.36 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3hkb h TYR 399 CO 0.05 0.03 0.14 0.00 -1.64 0.00 0.00 178.16 176.74 3hkb n ALA 400 N -2.64 0.72 -0.57 1.82 0.00 0.45 -0.79 120.51 119.50 3hkb n ALA 400 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3hkb n ALA 400 Cb 0.71 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3hkb n ALA 400 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hkb n LYS 401 N -1.39 0.61 -0.81 0.00 5.02 0.62 -4.98 118.16 117.23 3hkb n LYS 401 Ca -0.00 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.64 3hkb n LYS 401 Cb 0.15 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 3hkb n LYS 401 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hkb n ARG 402 N -0.13 -0.96 0.00 1.97 5.12 0.03 -4.87 116.66 117.81 3hkb n ARG 402 Ca 0.00 0.24 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 3hkb n ARG 402 Cb 0.30 -4.51 0.00 0.00 -1.16 0.00 0.00 32.46 27.09 3hkb n ARG 402 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hkb n ALA 403 N 1.00 0.00 -0.81 7.54 0.00 -1.18 0.14 120.51 127.20 3hkb n ALA 403 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hkb n ALA 403 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.70 3hkb n ALA 403 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hkb n PHE 404 N 0.00 0.00 -0.31 0.00 3.01 -1.26 -4.88 117.46 114.02 3hkb n PHE 404 Ca 0.00 -0.19 0.17 0.00 1.01 0.00 0.00 57.45 58.43 3hkb n PHE 404 Cb 0.00 -0.03 0.42 0.00 -0.01 0.00 0.00 39.48 39.87 3hkb n PHE 404 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3hkb h VAL 405 N 2.38 0.68 0.00 -4.37 2.07 0.91 -0.37 116.25 117.54 3hkb h VAL 405 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3hkb h VAL 405 Cb 0.89 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3hkb h VAL 405 CO 0.00 0.11 0.00 1.12 0.02 0.00 0.00 177.57 178.82 3hkb h HIS 406 N 0.58 0.00 0.00 1.57 2.07 -1.90 0.26 115.15 117.73 3hkb h HIS 406 Ca 0.54 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 58.01 3hkb h HIS 406 Cb 1.08 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.06 3hkb h HIS 406 CO -0.00 0.00 -0.24 -1.49 -3.07 0.00 0.00 177.93 173.13 3hkb h TRP 407 N 0.00 0.00 0.03 6.12 4.06 -1.44 -2.29 115.95 122.43 3hkb h TRP 407 Ca 0.00 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.67 3hkb h TRP 407 Cb 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 3hkb h TRP 407 CO 0.00 0.24 -1.54 0.66 -3.56 0.00 0.00 178.44 174.24 3hkb n TYR 408 N -3.30 1.01 0.09 0.49 4.02 0.87 -3.49 117.16 116.84 3hkb n TYR 408 Ca 0.01 0.37 0.19 0.00 -0.01 0.00 0.00 57.90 58.45 3hkb n TYR 408 Cb 0.49 -1.11 0.74 0.00 -0.02 0.00 0.00 39.34 39.44 3hkb n TYR 408 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3hkb h VAL 409 N -0.72 0.58 -0.10 -0.72 2.07 -1.50 0.09 116.25 115.95 3hkb h VAL 409 Ca -0.39 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 3hkb h VAL 409 Cb 1.51 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3hkb h VAL 409 CO -0.15 0.00 -0.48 1.23 0.02 0.00 0.00 177.57 178.19 3hkb h GLY 410 N 0.00 0.27 -1.94 2.17 0.00 -1.48 -1.07 103.07 101.02 3hkb h GLY 410 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3hkb h GLY 410 CO -0.00 0.26 0.00 1.18 0.00 0.00 0.00 176.54 177.98 3hkb n GLU 411 N -3.97 2.54 -2.34 4.80 -0.58 -0.04 -4.89 120.64 116.16 3hkb n GLU 411 Ca -0.02 -1.54 0.00 0.00 -0.42 0.00 0.00 57.16 55.18 3hkb n GLU 411 Cb 0.53 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 3hkb n GLU 411 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hkb n GLY 412 N 0.68 0.94 3.70 0.62 0.00 -0.41 -4.76 105.19 105.95 3hkb n GLY 412 Ca 0.14 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 3hkb n GLY 412 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hkb s MET 413 N -4.68 2.98 0.27 1.61 1.75 -0.84 -4.98 119.30 115.40 3hkb s MET 413 Ca 0.00 -0.42 -0.30 0.00 -1.25 0.00 0.00 55.69 53.72 3hkb s MET 413 Cb 0.00 -2.80 -0.09 0.00 2.84 0.00 0.00 34.83 34.78 3hkb s MET 413 CO 0.00 0.70 1.11 -2.00 -0.65 0.00 0.00 175.02 174.17 3hkb s GLU 414 N -1.01 4.63 0.36 4.11 2.56 -1.26 -3.80 118.70 124.28 3hkb s GLU 414 Ca 0.15 1.80 0.07 0.00 0.00 0.00 0.00 54.97 56.99 3hkb s GLU 414 Cb -0.11 -3.20 0.68 0.00 2.00 0.00 0.00 34.13 33.49 3hkb s GLU 414 CO 0.04 0.18 1.87 1.49 -0.56 0.00 0.00 175.26 178.27 3hkb h GLU 415 N 4.01 0.32 0.00 4.30 4.81 -1.98 -1.77 114.58 124.27 3hkb h GLU 415 Ca -0.46 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3hkb h GLU 415 Cb 1.21 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3hkb h GLU 415 CO 0.68 0.47 0.00 0.41 -0.73 0.00 0.00 179.01 179.84 3hkb n GLY 416 N -0.75 -1.10 0.22 1.92 0.00 -1.26 -2.47 105.19 101.74 3hkb n GLY 416 Ca -0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3hkb n GLY 416 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hkb h GLU 417 N 0.00 0.00 0.09 1.61 4.81 -1.70 -1.49 114.58 117.89 3hkb h GLU 417 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hkb h GLU 417 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3hkb h GLU 417 CO 0.00 0.05 -0.04 0.74 -0.73 0.00 0.00 179.01 179.02 3hkb h PHE 418 N 0.00 -0.11 -0.76 0.92 -1.00 -1.59 -3.05 116.94 111.36 3hkb h PHE 418 Ca -0.00 -0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.90 3hkb h PHE 418 Cb 1.00 0.04 -0.13 0.00 3.61 0.00 0.00 35.95 40.46 3hkb h PHE 418 CO 0.00 0.43 -0.37 0.77 -1.61 0.00 0.00 178.31 177.52 3hkb h SER 419 N -0.86 -1.33 0.46 2.17 0.02 -1.50 -2.01 113.55 110.50 3hkb h SER 419 Ca -0.01 0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 3hkb h SER 419 Cb 0.59 0.67 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 3hkb h SER 419 CO 0.02 -0.30 -0.51 -0.08 -1.14 0.00 0.00 176.83 174.82 3hkb h GLU 420 N -0.10 0.06 -0.08 3.45 4.81 -1.39 -0.86 114.58 120.47 3hkb h GLU 420 Ca 0.27 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.23 3hkb h GLU 420 Cb 0.57 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.96 3hkb h GLU 420 CO -0.81 0.55 -0.88 0.00 -0.73 0.00 0.00 179.01 177.14 3hkb h ALA 421 N 1.44 0.29 -0.20 2.92 0.00 -1.29 -2.82 119.26 119.60 3hkb h ALA 421 Ca -0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 3hkb h ALA 421 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3hkb h ALA 421 CO 0.07 0.71 -0.27 -0.09 0.00 0.00 0.00 179.25 179.67 3hkb h ARG 422 N 0.43 0.38 -0.43 0.00 9.65 -1.16 -2.02 114.38 121.23 3hkb h ARG 422 Ca -0.08 -0.14 0.03 0.00 -1.10 0.00 0.00 59.98 58.68 3hkb h ARG 422 Cb 1.51 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 30.05 3hkb h ARG 422 CO 0.17 0.63 0.29 0.93 2.80 0.00 0.00 179.97 184.79 3hkb h GLU 423 N 0.34 0.48 0.08 0.20 5.08 -1.03 -1.70 114.58 118.03 3hkb h GLU 423 Ca 0.05 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.12 3hkb h GLU 423 Cb 0.66 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 29.82 3hkb h GLU 423 CO 0.05 0.32 -1.07 0.22 -1.00 0.00 0.00 179.01 177.52 3hkb h ASP 424 N 0.49 0.80 0.20 1.42 3.58 -1.17 -2.82 116.42 118.92 3hkb h ASP 424 Ca 0.17 -0.81 -0.02 0.00 0.42 0.00 0.00 57.03 56.79 3hkb h ASP 424 Cb 0.08 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 3hkb h ASP 424 CO -0.04 1.52 -0.11 0.24 -2.88 0.00 0.00 179.24 177.97 3hkb h MET 425 N 0.18 0.00 0.15 0.28 2.86 -1.01 0.20 114.93 117.60 3hkb h MET 425 Ca -0.16 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3hkb h MET 425 Cb 1.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.42 3hkb h MET 425 CO 0.21 0.11 -0.07 0.00 1.06 0.00 0.00 176.91 178.21 3hkb h ALA 426 N 1.89 -0.21 -0.92 6.32 0.00 -1.37 -2.22 119.26 122.76 3hkb h ALA 426 Ca -0.00 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.83 3hkb h ALA 426 Cb 0.24 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3hkb h ALA 426 CO 0.01 -0.38 0.53 0.00 0.00 0.00 0.00 179.25 179.42 3hkb h ALA 427 N 0.03 1.41 0.45 0.00 0.00 -0.97 0.17 119.26 120.34 3hkb h ALA 427 Ca -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hkb h ALA 427 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hkb h ALA 427 CO 0.03 0.04 -0.22 1.25 0.00 0.00 0.00 179.25 180.36 3hkb h LEU 428 N 0.78 -0.51 -1.83 0.00 5.85 -0.72 0.12 115.31 119.01 3hkb h LEU 428 Ca 0.49 -0.08 0.27 0.00 0.84 0.00 0.00 57.88 59.39 3hkb h LEU 428 Cb 0.61 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 3hkb h LEU 428 CO -0.32 -0.19 0.68 -0.33 -0.34 0.00 0.00 178.44 177.93 3hkb h GLU 429 N -0.84 0.12 0.36 1.25 5.08 -0.73 -0.12 114.58 119.71 3hkb h GLU 429 Ca -0.06 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3hkb h GLU 429 Cb 0.56 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3hkb h GLU 429 CO 0.10 0.08 -0.17 -0.22 -1.00 0.00 0.00 179.01 177.80 3hkb h LYS 430 N 0.12 -0.47 -0.94 2.33 3.64 -0.36 -2.96 116.57 117.93 3hkb h LYS 430 Ca 0.48 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.99 3hkb h LYS 430 Cb 1.70 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 33.50 3hkb h LYS 430 CO -0.08 -0.17 -0.55 -0.44 -2.27 0.00 0.00 179.45 175.94 3hkb h ASP 431 N -0.99 -2.00 -0.52 4.20 3.32 0.74 -1.06 116.42 120.11 3hkb h ASP 431 Ca -0.05 0.32 0.04 0.00 0.02 0.00 0.00 57.03 57.36 3hkb h ASP 431 Cb 0.52 0.90 -0.03 0.00 0.22 0.00 0.00 39.33 40.94 3hkb h ASP 431 CO 0.08 -0.26 0.35 1.88 -1.72 0.00 0.00 179.24 179.57 3hkb h TYR 432 N -0.04 0.54 0.00 4.55 -1.99 -1.16 -0.22 116.97 118.65 3hkb h TYR 432 Ca 0.19 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.88 3hkb h TYR 432 Cb 0.46 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 3hkb h TYR 432 CO -0.97 0.31 -0.24 1.49 -0.00 0.00 0.00 178.16 178.76 3hkb h GLU 433 N 0.56 0.00 -0.32 4.88 4.81 -1.19 -3.29 114.58 120.02 3hkb h GLU 433 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3hkb h GLU 433 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3hkb h GLU 433 CO -0.06 0.23 0.00 0.39 -0.73 0.00 0.00 179.01 178.84 3hkb n GLU 434 N -3.16 1.76 -0.63 1.92 1.02 -0.11 -3.18 120.64 118.27 3hkb n GLU 434 Ca 0.03 -1.18 0.05 0.00 -0.02 0.00 0.00 57.16 56.05 3hkb n GLU 434 Cb 0.63 -1.26 0.29 0.00 -0.02 0.00 0.00 31.44 31.07 3hkb n GLU 434 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hkb n VAL 435 N 0.46 2.48 -4.46 2.62 0.31 -1.13 -4.94 118.33 113.67 3hkb n VAL 435 Ca 0.11 -1.85 -0.34 0.00 -0.01 0.00 0.00 64.34 62.25 3hkb n VAL 435 Cb 0.28 -0.28 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 3hkb n VAL 435 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3hkb s GLY 436 N -1.69 1.72 0.62 2.92 0.00 -1.19 -4.95 107.32 104.75 3hkb s GLY 436 Ca 0.46 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.35 3hkb s GLY 436 CO 0.10 -0.25 0.00 1.55 0.00 0.00 0.00 173.10 174.50 3hkb n VAL 437 N 3.11 -2.09 -1.99 1.40 3.14 -1.26 -5.11 118.33 115.52 3hkb n VAL 437 Ca -0.18 1.26 0.00 0.00 -2.96 0.00 0.00 64.34 62.46 3hkb n VAL 437 Cb 0.53 -2.03 0.00 0.00 -1.06 0.00 0.00 33.84 31.28 3hkb n VAL 437 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84