#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ku3 h LEU 2 N 0.00 0.25 -1.11 0.99 5.85 -1.94 -2.31 115.31 117.04 3ku3 h LEU 2 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ku3 h LEU 2 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3ku3 h LEU 2 CO 0.00 0.18 -0.28 0.49 -0.34 0.00 0.00 178.44 178.49 3ku3 n PHE 3 N -4.49 0.00 -0.97 1.25 3.72 -1.26 -5.00 117.46 110.71 3ku3 n PHE 3 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3ku3 n PHE 3 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3ku3 n PHE 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ku3 n GLY 4 N 1.18 0.60 0.06 1.37 0.00 -0.87 -4.90 105.19 102.62 3ku3 n GLY 4 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 3ku3 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ku3 n ALA 5 N 1.00 0.40 -1.99 4.61 0.00 -1.26 -1.30 120.51 121.97 3ku3 n ALA 5 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 3ku3 n ALA 5 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 3ku3 n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ku3 s ILE 6 N -2.03 2.94 -1.17 0.00 1.01 -1.26 -1.14 121.20 119.54 3ku3 s ILE 6 Ca -0.13 0.58 -0.05 0.00 0.00 0.00 0.00 60.65 61.04 3ku3 s ILE 6 Cb 0.02 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 39.16 3ku3 s ILE 6 CO 0.20 0.03 0.30 0.00 0.00 0.00 0.00 174.94 175.47 3ku3 n ALA 7 N 4.60 -0.96 -2.63 9.38 0.00 -1.16 -4.11 120.51 125.65 3ku3 n ALA 7 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3ku3 n ALA 7 Cb 0.40 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3ku3 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ku3 n GLY 8 N -1.04 2.97 0.19 0.00 0.00 -0.30 -4.72 105.19 102.30 3ku3 n GLY 8 Ca -0.07 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.74 3ku3 n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3ku3 h PHE 9 N 0.00 0.00 -2.82 1.61 -5.15 -1.16 -3.23 116.94 106.19 3ku3 h PHE 9 Ca 0.00 0.00 -0.67 0.00 -0.20 0.00 0.00 57.97 57.10 3ku3 h PHE 9 Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 35.95 35.99 3ku3 h PHE 9 CO 0.00 0.37 0.27 0.42 -2.00 0.00 0.00 178.31 177.38 3ku3 s ILE 10 N -3.96 4.64 0.29 0.88 1.01 -0.90 -4.17 121.20 118.98 3ku3 s ILE 10 Ca -0.02 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.94 3ku3 s ILE 10 Cb 0.13 -4.56 0.03 0.00 0.01 0.00 0.00 42.46 38.07 3ku3 s ILE 10 CO 0.70 -1.24 1.68 -0.33 0.00 0.00 0.00 174.94 175.75 3ku3 h GLU 11 N 9.32 0.22 -4.47 2.79 5.08 -1.80 -3.06 114.58 122.67 3ku3 h GLU 11 Ca -0.29 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 57.76 3ku3 h GLU 11 Cb 1.08 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.18 3ku3 h GLU 11 CO 1.13 0.63 -0.65 0.20 -1.00 0.00 0.00 179.01 179.32 3ku3 s GLY 12 N -4.24 1.05 0.63 -3.84 0.00 -1.26 -4.39 107.32 95.26 3ku3 s GLY 12 Ca -0.04 -1.50 -0.00 0.00 0.00 0.00 0.00 44.72 43.17 3ku3 s GLY 12 CO 0.77 -1.38 0.88 -0.32 0.00 0.00 0.00 173.10 173.06 3ku3 s GLY 13 N -3.07 1.79 -0.32 0.20 0.00 -1.26 -4.94 107.32 99.72 3ku3 s GLY 13 Ca 0.25 -1.44 -0.03 0.00 0.00 0.00 0.00 44.72 43.50 3ku3 s GLY 13 CO 0.03 -1.04 0.04 -0.98 0.00 0.00 0.00 173.10 171.15 3ku3 s TRP 14 N -2.95 3.30 0.42 1.90 0.51 -1.26 -4.95 118.94 115.90 3ku3 s TRP 14 Ca 0.61 -1.84 0.09 0.00 -2.12 0.00 0.00 56.10 52.84 3ku3 s TRP 14 Cb -0.08 -2.26 0.90 0.00 -0.81 0.00 0.00 33.47 31.22 3ku3 s TRP 14 CO 0.41 -0.81 2.04 1.96 -0.51 0.00 0.00 176.95 180.04 3ku3 h GLN 15 N 8.05 0.39 0.00 4.98 1.08 -2.04 -2.92 115.11 124.65 3ku3 h GLN 15 Ca -0.21 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 3ku3 h GLN 15 Cb 1.06 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 3ku3 h GLN 15 CO 0.56 0.31 0.00 0.41 -0.95 0.00 0.00 178.83 179.16 3ku3 n GLY 16 N -1.35 -1.23 3.30 3.46 0.00 -1.26 -4.50 105.19 103.61 3ku3 n GLY 16 Ca 0.01 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 3ku3 n GLY 16 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ku3 s MET 17 N -3.00 2.89 0.00 1.61 -2.45 -1.10 -4.83 119.30 112.41 3ku3 s MET 17 Ca 0.10 -1.66 0.13 0.00 -1.25 0.00 0.00 55.69 53.02 3ku3 s MET 17 Cb 0.14 -4.19 -0.07 0.00 1.25 0.00 0.00 34.83 31.95 3ku3 s MET 17 CO 0.39 -1.25 0.65 1.33 1.05 0.00 0.00 175.02 177.19 3ku3 n VAL 18 N 5.17 0.00 -1.24 10.11 0.24 -1.26 -4.56 118.33 126.79 3ku3 n VAL 18 Ca -0.13 -0.28 0.02 0.00 -2.04 0.00 0.00 64.34 61.91 3ku3 n VAL 18 Cb 0.41 1.08 0.22 0.00 -1.47 0.00 0.00 33.84 34.08 3ku3 n VAL 18 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3ku3 n ASP 19 N -0.75 3.02 0.00 -1.34 5.75 -1.26 -5.03 116.55 116.95 3ku3 n ASP 19 Ca 0.04 -3.43 0.00 0.00 -0.01 0.00 0.00 54.79 51.39 3ku3 n ASP 19 Cb 0.24 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 3ku3 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ku3 n GLY 20 N -0.91 0.73 0.09 6.12 0.00 -1.26 -4.80 105.19 105.15 3ku3 n GLY 20 Ca 0.27 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 3ku3 n GLY 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ku3 h TRP 21 N 0.00 0.32 -4.00 1.61 6.55 -1.91 -3.47 115.95 115.04 3ku3 h TRP 21 Ca 0.00 -0.23 -0.20 0.00 0.95 0.00 0.00 58.89 59.41 3ku3 h TRP 21 Cb 0.00 -0.01 -0.19 0.00 -0.86 0.00 0.00 29.16 28.10 3ku3 h TRP 21 CO 0.00 1.18 -0.71 0.71 -1.05 0.00 0.00 178.44 178.58 3ku3 s TYR 22 N -2.67 0.53 -1.14 0.49 2.02 -1.26 -5.08 117.35 110.23 3ku3 s TYR 22 Ca -0.02 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 3ku3 s TYR 22 Cb 0.08 -0.34 0.00 0.00 -0.40 0.00 0.00 41.96 41.30 3ku3 s TYR 22 CO 0.86 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 175.06 3ku3 n GLY 23 N 1.02 -0.75 3.19 0.71 0.00 -1.26 -0.37 105.19 107.73 3ku3 n GLY 23 Ca -0.20 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 3ku3 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ku3 s TYR 24 N -4.00 1.23 -0.08 1.61 2.02 0.50 -4.87 117.35 113.75 3ku3 s TYR 24 Ca 0.00 -0.53 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 3ku3 s TYR 24 Cb 0.00 -0.67 0.02 0.00 -0.40 0.00 0.00 41.96 40.90 3ku3 s TYR 24 CO 0.00 0.07 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.36 3ku3 s HIS 25 N -1.77 1.51 0.18 2.71 5.65 -1.26 -1.48 115.29 120.84 3ku3 s HIS 25 Ca 0.03 -0.64 0.10 0.00 0.25 0.00 0.00 55.06 54.80 3ku3 s HIS 25 Cb -0.07 -1.15 -0.04 0.00 -1.18 0.00 0.00 32.58 30.14 3ku3 s HIS 25 CO 0.02 -0.37 -0.14 -3.38 -0.65 0.00 0.00 174.74 170.22 3ku3 s HIS 26 N 1.02 2.53 -0.06 3.88 -3.43 -0.75 -4.96 115.29 113.52 3ku3 s HIS 26 Ca -0.08 -0.26 -0.03 0.00 -0.80 0.00 0.00 55.06 53.90 3ku3 s HIS 26 Cb -0.15 -1.25 0.04 0.00 -1.43 0.00 0.00 32.58 29.79 3ku3 s HIS 26 CO -0.01 0.50 0.09 0.45 -2.00 0.00 0.00 174.74 173.77 3ku3 s SER 27 N -2.75 1.13 0.00 7.38 0.15 -1.26 -2.33 113.70 116.01 3ku3 s SER 27 Ca 0.23 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.98 3ku3 s SER 27 Cb -0.09 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 3ku3 s SER 27 CO 0.13 -0.26 0.00 -0.46 1.20 0.00 0.00 173.24 173.86 3ku3 n ASN 28 N 5.30 0.00 -0.16 5.45 0.23 -0.25 -5.02 115.26 120.81 3ku3 n ASN 28 Ca -0.04 -0.46 -0.07 0.00 -0.53 0.00 0.00 54.58 53.48 3ku3 n ASN 28 Cb 0.50 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.28 3ku3 n ASN 28 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3ku3 h ASP 29 N 0.00 0.92 0.62 0.53 3.32 -2.00 -3.06 116.42 116.74 3ku3 h ASP 29 Ca 0.00 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 3ku3 h ASP 29 Cb 0.00 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3ku3 h ASP 29 CO 0.00 0.99 -0.13 1.56 -1.72 0.00 0.00 179.24 179.94 3ku3 h GLN 30 N 0.86 0.00 0.00 3.56 4.20 -1.96 -3.49 115.11 118.28 3ku3 h GLN 30 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3ku3 h GLN 30 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3ku3 h GLN 30 CO 0.03 0.13 0.00 0.41 -0.67 0.00 0.00 178.83 178.73 3ku3 n GLY 31 N -0.33 0.36 3.11 3.46 0.00 -1.16 -5.14 105.19 105.50 3ku3 n GLY 31 Ca -0.01 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 3ku3 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ku3 s SER 32 N -4.00 0.24 0.00 1.61 1.04 -1.26 -1.09 113.70 110.23 3ku3 s SER 32 Ca 0.00 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3ku3 s SER 32 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3ku3 s SER 32 CO 0.00 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 3ku3 n GLY 33 N 0.57 1.08 3.91 7.32 0.00 -0.98 -4.99 105.19 112.09 3ku3 n GLY 33 Ca -0.18 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 3ku3 n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ku3 s TYR 34 N -2.00 3.47 -0.24 1.61 2.02 -1.26 -1.80 117.35 119.15 3ku3 s TYR 34 Ca 0.00 0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 57.10 3ku3 s TYR 34 Cb 0.00 -2.01 0.07 0.00 -0.40 0.00 0.00 41.96 39.62 3ku3 s TYR 34 CO 0.00 0.32 0.58 0.00 -1.57 0.00 0.00 175.55 174.88 3ku3 s ALA 35 N -1.88 -1.55 0.47 3.71 0.00 -0.55 -5.00 121.76 116.97 3ku3 s ALA 35 Ca 0.42 2.04 -0.21 0.00 0.00 0.00 0.00 51.96 54.20 3ku3 s ALA 35 Cb -0.11 -1.21 -0.08 0.00 0.00 0.00 0.00 23.12 21.72 3ku3 s ALA 35 CO 0.27 -0.33 1.06 0.00 0.00 0.00 0.00 175.76 176.77 3ku3 s ALA 36 N 1.41 2.91 -0.42 0.00 0.00 -1.26 -0.37 121.76 124.03 3ku3 s ALA 36 Ca -0.09 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.32 3ku3 s ALA 36 Cb -0.06 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3ku3 s ALA 36 CO -0.15 -0.36 0.83 0.34 0.00 0.00 0.00 175.76 176.41 3ku3 s ASP 37 N -1.80 6.50 0.08 0.00 2.15 0.50 -4.84 116.67 119.25 3ku3 s ASP 37 Ca 0.65 0.16 -0.20 0.00 0.43 0.00 0.00 52.55 53.59 3ku3 s ASP 37 Cb -0.20 -2.41 -0.10 0.00 -0.30 0.00 0.00 42.92 39.92 3ku3 s ASP 37 CO 0.24 -0.88 1.55 0.11 -0.17 0.00 0.00 175.17 176.02 3ku3 h LYS 38 N 8.79 0.32 0.09 4.34 1.79 -1.92 -2.66 116.57 127.32 3ku3 h LYS 38 Ca -0.24 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.14 3ku3 h LYS 38 Cb 1.09 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 3ku3 h LYS 38 CO 0.96 0.47 -0.05 1.49 -1.08 0.00 0.00 179.45 181.24 3ku3 h GLU 39 N 0.11 -0.12 -0.17 3.15 4.81 -1.96 -0.78 114.58 119.62 3ku3 h GLU 39 Ca 0.06 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 3ku3 h GLU 39 Cb 0.30 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3ku3 h GLU 39 CO 0.00 0.01 -0.45 0.66 -0.73 0.00 0.00 179.01 178.50 3ku3 h SER 40 N -0.22 0.45 -0.05 1.04 4.64 -1.96 -1.95 113.55 115.50 3ku3 h SER 40 Ca -0.01 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3ku3 h SER 40 Cb 0.18 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3ku3 h SER 40 CO 0.02 0.84 0.01 0.74 -0.87 0.00 0.00 176.83 177.57 3ku3 h THR 41 N 0.34 1.18 -0.37 2.95 2.02 -1.38 -2.10 112.91 115.55 3ku3 h THR 41 Ca 0.02 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.69 3ku3 h THR 41 Cb 0.92 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 3ku3 h THR 41 CO 0.08 0.14 0.21 -0.61 0.37 0.00 0.00 175.52 175.71 3ku3 h GLN 42 N -0.13 0.42 -0.73 6.66 5.75 -1.10 0.74 115.11 126.72 3ku3 h GLN 42 Ca 0.01 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.56 3ku3 h GLN 42 Cb 0.22 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.62 3ku3 h GLN 42 CO -0.00 0.27 0.42 -0.22 -2.65 0.00 0.00 178.83 176.65 3ku3 h LYS 43 N 0.43 0.73 -0.39 1.69 3.64 -1.35 -1.34 116.57 119.97 3ku3 h LYS 43 Ca 0.15 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.33 3ku3 h LYS 43 Cb 0.02 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3ku3 h LYS 43 CO -0.08 0.48 -0.37 0.00 -2.27 0.00 0.00 179.45 177.21 3ku3 h ALA 44 N 1.38 0.59 -0.99 5.00 0.00 -0.95 -2.54 119.26 121.74 3ku3 h ALA 44 Ca 0.33 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ku3 h ALA 44 Cb 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3ku3 h ALA 44 CO -0.20 0.68 0.66 0.35 0.00 0.00 0.00 179.25 180.74 3ku3 h PHE 45 N 0.77 1.25 -0.23 0.00 3.57 -0.41 -0.74 116.94 121.14 3ku3 h PHE 45 Ca 0.07 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 3ku3 h PHE 45 Cb 0.96 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.28 3ku3 h PHE 45 CO 0.06 0.78 -0.49 -0.44 -2.23 0.00 0.00 178.31 175.99 3ku3 h ASP 46 N 1.34 0.84 -0.30 0.41 3.32 -1.21 -1.62 116.42 119.20 3ku3 h ASP 46 Ca 0.37 -0.55 0.04 0.00 0.02 0.00 0.00 57.03 56.91 3ku3 h ASP 46 Cb -0.15 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.12 3ku3 h ASP 46 CO -0.08 1.23 0.06 1.23 -1.72 0.00 0.00 179.24 179.97 3ku3 h GLY 47 N 0.47 0.35 0.97 2.75 0.00 -1.23 -1.36 103.07 105.02 3ku3 h GLY 47 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 3ku3 h GLY 47 CO 0.11 -0.01 0.11 -2.22 0.00 0.00 0.00 176.54 174.53 3ku3 h ILE 48 N 0.18 1.24 -0.47 2.60 1.08 -1.11 -0.70 117.51 120.32 3ku3 h ILE 48 Ca 0.14 -0.85 0.04 0.00 -0.39 0.00 0.00 64.86 63.81 3ku3 h ILE 48 Cb 0.15 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 3ku3 h ILE 48 CO -0.18 0.30 0.22 0.74 -0.69 0.00 0.00 178.15 178.55 3ku3 h THR 49 N 0.65 0.94 -0.77 -0.27 2.02 -1.21 -1.61 112.91 112.66 3ku3 h THR 49 Ca 0.15 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3ku3 h THR 49 Cb 0.34 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 3ku3 h THR 49 CO 0.00 0.08 0.42 -1.13 0.37 0.00 0.00 175.52 175.26 3ku3 h ASN 50 N 0.44 0.95 -0.13 4.18 -0.73 -0.93 -2.59 115.58 116.77 3ku3 h ASN 50 Ca 0.21 -0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 3ku3 h ASN 50 Cb 0.14 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 3ku3 h ASN 50 CO -0.16 0.76 0.04 0.50 -0.37 0.00 0.00 177.43 178.20 3ku3 h LYS 51 N 1.07 0.20 -0.69 6.67 3.64 -0.59 -0.24 116.57 126.64 3ku3 h LYS 51 Ca 0.27 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3ku3 h LYS 51 Cb 0.03 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3ku3 h LYS 51 CO -0.04 0.34 0.26 -0.39 -2.27 0.00 0.00 179.45 177.35 3ku3 h VAL 52 N 0.02 1.25 -0.68 2.00 -1.51 -1.25 -1.25 116.25 114.83 3ku3 h VAL 52 Ca 0.04 -0.79 -0.04 0.00 -1.23 0.00 0.00 66.70 64.68 3ku3 h VAL 52 Cb 0.23 0.48 -0.03 0.00 -2.13 0.00 0.00 31.29 29.84 3ku3 h VAL 52 CO -0.00 0.31 0.27 0.78 -1.23 0.00 0.00 177.57 177.70 3ku3 h ASN 53 N 0.98 0.94 -0.61 4.19 2.35 -1.38 -2.27 115.58 119.80 3ku3 h ASN 53 Ca 0.23 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3ku3 h ASN 53 Cb 0.23 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3ku3 h ASN 53 CO -0.02 0.86 0.20 0.28 -1.65 0.00 0.00 177.43 177.10 3ku3 h SER 54 N 0.97 0.87 -0.11 5.81 0.02 -0.62 0.11 113.55 120.60 3ku3 h SER 54 Ca 0.23 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3ku3 h SER 54 Cb 0.21 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3ku3 h SER 54 CO -0.02 0.84 -0.00 -0.37 -1.14 0.00 0.00 176.83 176.14 3ku3 h VAL 55 N 0.86 1.25 -0.36 2.27 -1.51 -1.17 -2.15 116.25 115.45 3ku3 h VAL 55 Ca 0.20 -0.82 0.04 0.00 -1.23 0.00 0.00 66.70 64.89 3ku3 h VAL 55 Cb 0.28 1.58 -0.04 0.00 -2.13 0.00 0.00 31.29 30.97 3ku3 h VAL 55 CO -0.01 0.24 0.11 0.40 -1.23 0.00 0.00 177.57 177.08 3ku3 h ILE 56 N -0.07 0.88 -0.13 7.19 2.04 -1.35 -3.12 117.51 122.95 3ku3 h ILE 56 Ca 0.03 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 3ku3 h ILE 56 Cb 0.36 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3ku3 h ILE 56 CO 0.01 0.05 -0.21 -0.33 0.00 0.00 0.00 178.15 177.66 3ku3 h GLU 57 N 0.25 0.22 0.00 2.37 5.08 -0.64 -2.67 114.58 119.19 3ku3 h GLU 57 Ca 0.17 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3ku3 h GLU 57 Cb 0.15 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ku3 h GLU 57 CO -0.18 0.42 0.00 0.87 -1.00 0.00 0.00 179.01 179.12 3ku3 h LYS 58 N 0.20 0.00 -1.74 2.33 1.79 -1.32 -3.08 116.57 114.75 3ku3 h LYS 58 Ca 0.04 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.86 3ku3 h LYS 58 Cb 0.49 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.76 3ku3 h LYS 58 CO 0.03 0.00 -0.21 -1.33 -1.08 0.00 0.00 179.45 176.87 3ku3 n MET 59 N -2.44 3.32 -0.07 3.15 2.81 -1.01 -4.72 117.12 118.17 3ku3 n MET 59 Ca 0.02 -4.31 -0.06 0.00 -1.81 0.00 0.00 57.70 51.55 3ku3 n MET 59 Cb 0.28 -2.26 -0.13 0.00 -0.71 0.00 0.00 33.22 30.41 3ku3 n MET 59 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3ku3 n ASN 60 N -0.46 1.10 -1.83 7.83 3.02 -1.16 -4.28 115.26 119.48 3ku3 n ASN 60 Ca 0.42 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.96 3ku3 n ASN 60 Cb 0.51 0.99 0.32 0.00 -0.61 0.00 0.00 39.78 40.99 3ku3 n ASN 60 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ku3 n THR 61 N -2.53 2.83 -1.41 3.41 -2.24 -1.26 -5.02 114.28 108.05 3ku3 n THR 61 Ca -0.23 -1.67 -0.38 0.00 -2.27 0.00 0.00 64.05 59.50 3ku3 n THR 61 Cb 0.95 -0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.88 3ku3 n THR 61 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3ku3 n GLN 62 N -0.07 0.39 -1.81 -0.78 7.27 -1.26 -4.91 117.38 116.21 3ku3 n GLN 62 Ca 0.36 0.15 -0.39 0.00 0.07 0.00 0.00 57.00 57.19 3ku3 n GLN 62 Cb 1.29 -1.54 0.02 0.00 2.41 0.00 0.00 30.24 32.42 3ku3 n GLN 62 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 3ku3 s PHE 63 N -1.79 2.42 -0.09 3.69 5.36 -1.26 -5.04 117.98 121.27 3ku3 s PHE 63 Ca 0.66 1.31 0.03 0.00 -0.96 0.00 0.00 56.93 57.97 3ku3 s PHE 63 Cb -0.46 -3.87 0.01 0.00 -0.34 0.00 0.00 43.02 38.36 3ku3 s PHE 63 CO 0.57 -2.88 -0.19 -1.21 -1.46 0.00 0.00 175.22 170.05 3ku3 s GLU 64 N -2.60 2.49 0.36 10.12 2.02 -1.26 -4.99 118.70 124.84 3ku3 s GLU 64 Ca 0.64 -0.69 -0.27 0.00 0.02 0.00 0.00 54.97 54.68 3ku3 s GLU 64 Cb -0.42 -1.93 -0.09 0.00 0.10 0.00 0.00 34.13 31.79 3ku3 s GLU 64 CO 0.53 0.12 1.18 0.00 0.02 0.00 0.00 175.26 177.11 3ku3 s ALA 65 N 0.48 3.29 -0.14 5.21 0.00 -1.26 -5.04 121.76 124.29 3ku3 s ALA 65 Ca -0.17 1.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.80 3ku3 s ALA 65 Cb -0.17 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.59 3ku3 s ALA 65 CO 0.07 -0.47 -0.09 0.08 0.00 0.00 0.00 175.76 175.35 3ku3 s VAL 66 N -1.30 1.24 0.06 0.00 1.01 -1.26 -5.11 120.40 115.05 3ku3 s VAL 66 Ca 0.52 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3ku3 s VAL 66 Cb -0.33 -1.26 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 3ku3 s VAL 66 CO 0.42 0.34 1.79 -0.83 0.00 0.00 0.00 175.10 176.82 3ku3 s GLY 67 N 1.61 1.46 0.07 4.51 0.00 -1.26 -5.00 107.32 108.70 3ku3 s GLY 67 Ca 0.04 1.28 0.02 0.00 0.00 0.00 0.00 44.72 46.06 3ku3 s GLY 67 CO -0.09 3.13 -0.07 0.54 0.00 0.00 0.00 173.10 176.62 3ku3 s LYS 68 N 3.29 0.66 0.23 2.90 1.02 -1.26 -5.18 119.74 121.40 3ku3 s LYS 68 Ca 0.80 -1.03 0.11 0.00 0.02 0.00 0.00 55.97 55.87 3ku3 s LYS 68 Cb -0.42 -0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 36.63 3ku3 s LYS 68 CO 0.35 0.01 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.38 3ku3 s GLU 69 N -2.67 1.54 0.02 1.68 2.02 -1.26 -5.15 118.70 114.87 3ku3 s GLU 69 Ca 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 53.38 3ku3 s GLU 69 Cb -0.02 -1.68 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 3ku3 s GLU 69 CO -0.02 0.34 -0.03 -0.06 0.02 0.00 0.00 175.26 175.50 3ku3 s PHE 70 N -2.18 0.27 0.91 1.61 0.08 -1.26 -5.08 117.98 112.33 3ku3 s PHE 70 Ca 0.24 -0.43 -0.13 0.00 0.12 0.00 0.00 56.93 56.73 3ku3 s PHE 70 Cb -0.06 -0.19 0.14 0.00 -0.57 0.00 0.00 43.02 42.34 3ku3 s PHE 70 CO 0.11 -0.14 1.15 -1.54 -0.10 0.00 0.00 175.22 174.70 3ku3 s SER 71 N -1.21 3.53 0.05 1.36 1.04 -1.26 -4.92 113.70 112.29 3ku3 s SER 71 Ca -0.12 0.89 0.16 0.00 0.48 0.00 0.00 55.95 57.36 3ku3 s SER 71 Cb -0.08 -1.41 0.69 0.00 0.10 0.00 0.00 66.02 65.32 3ku3 s SER 71 CO -0.01 -2.53 1.51 -0.46 0.98 0.00 0.00 173.24 172.74 3ku3 n ASN 72 N -3.74 0.13 -1.43 7.02 6.94 -1.26 -1.85 115.26 121.07 3ku3 n ASN 72 Ca 0.07 0.53 0.09 0.00 -0.02 0.00 0.00 54.58 55.26 3ku3 n ASN 72 Cb 0.60 -0.56 0.33 0.00 -2.36 0.00 0.00 39.78 37.79 3ku3 n ASN 72 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3ku3 n LEU 73 N -1.64 4.49 -2.40 -4.53 4.32 -1.26 -4.41 117.00 111.57 3ku3 n LEU 73 Ca 0.03 -2.42 -0.14 0.00 -0.02 0.00 0.00 56.01 53.47 3ku3 n LEU 73 Cb 0.18 -0.54 0.03 0.00 -1.62 0.00 0.00 43.42 41.48 3ku3 n LEU 73 CO 0.15 0.81 0.09 -0.62 -1.22 0.00 0.00 177.39 176.60 3ku3 n GLU 74 N 0.98 2.75 0.12 3.23 1.02 -0.77 -4.88 120.64 123.10 3ku3 n GLU 74 Ca 0.24 -3.88 -0.01 0.00 -0.02 0.00 0.00 57.16 53.49 3ku3 n GLU 74 Cb 0.83 -1.97 0.25 0.00 -0.02 0.00 0.00 31.44 30.53 3ku3 n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ku3 h ARG 75 N 2.40 0.15 -0.29 3.49 2.47 -1.77 0.25 114.38 121.09 3ku3 h ARG 75 Ca 0.14 -0.07 -0.07 0.00 -1.26 0.00 0.00 59.98 58.72 3ku3 h ARG 75 Cb 1.40 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.71 3ku3 h ARG 75 CO 0.51 0.55 -0.09 0.00 0.56 0.00 0.00 179.97 181.51 3ku3 h ARG 76 N 0.13 0.56 -0.61 0.04 3.08 -1.96 -0.50 114.38 115.13 3ku3 h ARG 76 Ca 0.01 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 3ku3 h ARG 76 Cb 0.80 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3ku3 h ARG 76 CO 0.06 0.77 0.25 1.25 -1.07 0.00 0.00 179.97 181.23 3ku3 h LEU 77 N 0.32 0.84 -0.62 3.04 5.85 -1.91 0.34 115.31 123.17 3ku3 h LEU 77 Ca 0.07 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3ku3 h LEU 77 Cb 0.57 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3ku3 h LEU 77 CO 0.03 0.78 0.33 -0.08 -0.34 0.00 0.00 178.44 179.16 3ku3 h GLU 78 N 0.85 0.59 -0.36 1.25 4.81 -0.88 -0.62 114.58 120.21 3ku3 h GLU 78 Ca 0.20 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 3ku3 h GLU 78 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3ku3 h GLU 78 CO -0.02 0.39 -0.22 -0.97 -0.73 0.00 0.00 179.01 177.47 3ku3 h ASN 79 N 0.61 0.72 -0.42 1.04 -0.73 -0.52 -0.58 115.58 115.69 3ku3 h ASN 79 Ca 0.28 -0.25 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 3ku3 h ASN 79 Cb 0.20 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3ku3 h ASN 79 CO -0.19 0.92 0.23 0.25 -0.37 0.00 0.00 177.43 178.27 3ku3 h LEU 80 N 0.62 0.53 -0.57 0.34 6.46 -0.65 0.14 115.31 122.18 3ku3 h LEU 80 Ca 0.09 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 3ku3 h LEU 80 Cb 0.70 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 3ku3 h LEU 80 CO 0.05 0.46 0.20 -1.13 -0.62 0.00 0.00 178.44 177.41 3ku3 h ASN 81 N 0.55 0.82 -0.07 1.25 -0.73 -0.71 -0.44 115.58 116.25 3ku3 h ASN 81 Ca 0.15 -0.19 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 3ku3 h ASN 81 Cb 0.05 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.43 3ku3 h ASN 81 CO -0.02 0.79 0.01 0.50 -0.37 0.00 0.00 177.43 178.34 3ku3 h LYS 82 N 0.80 0.11 -0.30 6.67 3.64 -0.83 -1.30 116.57 125.36 3ku3 h LYS 82 Ca 0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3ku3 h LYS 82 Cb 0.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3ku3 h LYS 82 CO -0.01 0.32 0.15 0.87 -2.27 0.00 0.00 179.45 178.51 3ku3 h LYS 83 N -0.11 0.40 0.04 1.90 1.79 -0.55 0.51 116.57 120.56 3ku3 h LYS 83 Ca 0.02 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3ku3 h LYS 83 Cb 0.26 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3ku3 h LYS 83 CO 0.00 0.31 -0.02 1.98 -1.08 0.00 0.00 179.45 180.64 3ku3 h MET 84 N 0.41 -0.05 -0.37 3.15 4.05 -0.88 0.53 114.93 121.76 3ku3 h MET 84 Ca 0.11 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.40 3ku3 h MET 84 Cb 0.03 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 3ku3 h MET 84 CO -0.02 0.38 -0.26 0.93 0.23 0.00 0.00 176.91 178.18 3ku3 h GLU 85 N -0.51 0.83 -0.61 0.39 5.08 -0.95 -1.18 114.58 117.64 3ku3 h GLU 85 Ca -0.01 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 3ku3 h GLU 85 Cb 0.46 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3ku3 h GLU 85 CO 0.01 1.04 0.05 -0.44 -1.00 0.00 0.00 179.01 178.66 3ku3 h ASP 86 N 0.63 0.99 -0.52 1.42 5.19 -1.00 -1.60 116.42 121.53 3ku3 h ASP 86 Ca 0.07 -0.25 0.02 0.00 -0.62 0.00 0.00 57.03 56.25 3ku3 h ASP 86 Cb 0.83 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 3ku3 h ASP 86 CO 0.07 1.02 0.32 1.23 -3.12 0.00 0.00 179.24 178.76 3ku3 h GLY 87 N 1.02 0.73 1.08 2.75 0.00 -0.52 0.05 103.07 108.18 3ku3 h GLY 87 Ca 0.18 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 3ku3 h GLY 87 CO 0.02 0.22 -0.23 0.74 0.00 0.00 0.00 176.54 177.29 3ku3 h PHE 88 N 0.64 1.08 -0.48 5.60 0.04 -1.14 -1.63 116.94 121.06 3ku3 h PHE 88 Ca 0.20 -0.27 0.09 0.00 2.80 0.00 0.00 57.97 60.79 3ku3 h PHE 88 Cb -0.01 -0.25 -0.08 0.00 2.20 0.00 0.00 35.95 37.82 3ku3 h PHE 88 CO -0.06 1.08 0.03 1.25 -0.60 0.00 0.00 178.31 180.01 3ku3 h LEU 89 N 0.77 -0.15 -0.68 1.54 5.85 -0.99 0.29 115.31 121.94 3ku3 h LEU 89 Ca 0.10 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3ku3 h LEU 89 Cb 0.80 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3ku3 h LEU 89 CO 0.07 -0.04 0.11 0.44 -0.34 0.00 0.00 178.44 178.67 3ku3 h ASP 90 N 0.14 1.08 -0.55 1.25 3.32 -0.76 -0.63 116.42 120.27 3ku3 h ASP 90 Ca 0.24 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3ku3 h ASP 90 Cb 0.35 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3ku3 h ASP 90 CO -0.37 1.06 0.32 0.58 -1.72 0.00 0.00 179.24 179.11 3ku3 h VAL 91 N 1.04 1.17 0.00 -1.35 2.07 -0.69 -0.79 116.25 117.71 3ku3 h VAL 91 Ca 0.20 -0.41 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 3ku3 h VAL 91 Cb 0.45 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3ku3 h VAL 91 CO 0.01 0.18 -0.70 -0.50 0.02 0.00 0.00 177.57 176.59 3ku3 h TRP 92 N 0.73 0.00 -0.29 1.57 4.06 -0.79 0.26 115.95 121.49 3ku3 h TRP 92 Ca 0.19 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.05 3ku3 h TRP 92 Cb 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 3ku3 h TRP 92 CO -0.02 0.70 -0.18 1.15 -3.56 0.00 0.00 178.44 176.53 3ku3 h THR 93 N 0.00 1.30 -0.01 1.49 2.02 -0.97 -1.33 112.91 115.41 3ku3 h THR 93 Ca -0.01 -1.30 0.02 0.00 0.77 0.00 0.00 66.41 65.90 3ku3 h THR 93 Cb 1.35 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 3ku3 h THR 93 CO 0.09 0.41 -0.15 0.22 0.37 0.00 0.00 175.52 176.47 3ku3 h TYR 94 N 0.38 -0.38 -0.60 3.16 3.20 -0.95 0.78 116.97 122.56 3ku3 h TYR 94 Ca 0.06 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.02 3ku3 h TYR 94 Cb 0.71 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.09 3ku3 h TYR 94 CO 0.06 -0.22 0.27 -0.91 -1.64 0.00 0.00 178.16 175.73 3ku3 h ASN 95 N -0.24 0.34 0.27 -2.11 2.35 -0.82 0.10 115.58 115.47 3ku3 h ASN 95 Ca 0.05 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3ku3 h ASN 95 Cb 0.31 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3ku3 h ASN 95 CO -0.15 0.21 -0.13 0.00 -1.65 0.00 0.00 177.43 175.71 3ku3 h ALA 96 N 1.37 -0.36 -0.30 -0.83 0.00 -0.98 -1.73 119.26 116.44 3ku3 h ALA 96 Ca 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ku3 h ALA 96 Cb 0.29 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ku3 h ALA 96 CO -0.25 -0.54 0.08 0.93 0.00 0.00 0.00 179.25 179.47 3ku3 h GLU 97 N -0.69 0.47 -0.57 0.00 5.08 -0.61 -1.76 114.58 116.51 3ku3 h GLU 97 Ca -0.04 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3ku3 h GLU 97 Cb 0.47 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3ku3 h GLU 97 CO 0.06 0.54 0.36 1.25 -1.00 0.00 0.00 179.01 180.23 3ku3 h LEU 98 N 0.32 0.62 -0.67 1.33 5.85 -0.87 -1.45 115.31 120.43 3ku3 h LEU 98 Ca 0.09 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3ku3 h LEU 98 Cb 0.28 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3ku3 h LEU 98 CO 0.00 0.44 0.32 0.25 -0.34 0.00 0.00 178.44 179.11 3ku3 h LEU 99 N 0.73 0.87 -0.65 2.25 5.85 -1.11 -0.32 115.31 122.94 3ku3 h LEU 99 Ca 0.22 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 3ku3 h LEU 99 Cb -0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3ku3 h LEU 99 CO -0.07 0.76 -0.15 0.58 -0.34 0.00 0.00 178.44 179.23 3ku3 h VAL 100 N 0.93 1.27 0.29 1.05 2.07 -1.01 -0.46 116.25 120.38 3ku3 h VAL 100 Ca 0.23 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 3ku3 h VAL 100 Cb 0.12 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3ku3 h VAL 100 CO -0.03 0.44 -0.14 -0.07 0.02 0.00 0.00 177.57 177.79 3ku3 h LEU 101 N 0.80 -0.33 -0.64 2.57 3.38 -0.86 -0.30 115.31 119.93 3ku3 h LEU 101 Ca 0.12 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3ku3 h LEU 101 Cb 0.68 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 3ku3 h LEU 101 CO 0.05 -0.02 0.37 0.24 0.09 0.00 0.00 178.44 179.17 3ku3 h MET 102 N -0.67 0.68 -0.11 1.13 2.86 -1.04 -1.20 114.93 116.59 3ku3 h MET 102 Ca -0.04 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.36 3ku3 h MET 102 Cb 0.47 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3ku3 h MET 102 CO 0.07 0.45 -0.75 0.93 1.06 0.00 0.00 176.91 178.66 3ku3 h GLU 103 N 0.70 0.57 -0.60 1.72 4.39 -1.13 -2.57 114.58 117.65 3ku3 h GLU 103 Ca 0.28 -0.47 0.08 0.00 0.34 0.00 0.00 59.36 59.59 3ku3 h GLU 103 Cb 0.12 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 3ku3 h GLU 103 CO -0.15 1.09 0.25 -0.91 -1.16 0.00 0.00 179.01 178.13 3ku3 h ASN 104 N 0.39 0.29 -0.29 1.42 2.35 -0.74 0.25 115.58 119.24 3ku3 h ASN 104 Ca -0.04 0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.84 3ku3 h ASN 104 Cb 1.35 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 39.68 3ku3 h ASN 104 CO 0.14 0.18 -0.18 -0.08 -1.65 0.00 0.00 177.43 175.84 3ku3 h GLU 105 N 0.45 -0.14 0.00 0.81 4.57 -1.15 -1.73 114.58 117.39 3ku3 h GLU 105 Ca 0.29 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.37 3ku3 h GLU 105 Cb 0.32 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 3ku3 h GLU 105 CO -0.27 -0.09 -0.55 0.00 -1.18 0.00 0.00 179.01 176.91 3ku3 h ARG 106 N -0.15 0.00 -0.23 1.92 3.08 -0.98 -2.52 114.38 115.50 3ku3 h ARG 106 Ca 0.15 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3ku3 h ARG 106 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3ku3 h ARG 106 CO -0.38 0.55 0.02 1.15 -1.07 0.00 0.00 179.97 180.24 3ku3 h THR 107 N 0.00 1.24 -0.71 2.04 2.02 -0.02 0.13 112.91 117.62 3ku3 h THR 107 Ca -0.01 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 3ku3 h THR 107 Cb 0.99 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 3ku3 h THR 107 CO 0.07 0.25 0.24 -0.07 0.37 0.00 0.00 175.52 176.38 3ku3 h LEU 108 N 0.18 1.00 -0.90 2.58 3.38 -1.23 -2.05 115.31 118.27 3ku3 h LEU 108 Ca 0.07 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3ku3 h LEU 108 Cb 0.36 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ku3 h LEU 108 CO 0.01 0.92 -0.52 0.44 0.09 0.00 0.00 178.44 179.38 3ku3 h ASP 109 N 1.04 0.09 -0.23 -0.43 3.32 -1.28 -2.43 116.42 116.50 3ku3 h ASP 109 Ca 0.23 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3ku3 h ASP 109 Cb 0.26 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3ku3 h ASP 109 CO -0.01 0.59 0.09 0.15 -1.72 0.00 0.00 179.24 178.34 3ku3 h PHE 110 N 0.06 0.35 -0.79 4.55 3.57 -0.24 0.57 116.94 125.01 3ku3 h PHE 110 Ca -0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3ku3 h PHE 110 Cb 0.94 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 3ku3 h PHE 110 CO 0.01 0.38 0.47 0.45 -2.23 0.00 0.00 178.31 177.38 3ku3 h HIS 111 N 0.22 1.06 -0.14 0.41 3.86 -1.32 -0.68 115.15 118.56 3ku3 h HIS 111 Ca 0.08 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3ku3 h HIS 111 Cb 0.18 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 3ku3 h HIS 111 CO -0.01 0.71 0.04 0.22 0.86 0.00 0.00 177.93 179.76 3ku3 h ASP 112 N 1.09 0.05 -0.74 2.45 3.58 -1.13 -1.11 116.42 120.61 3ku3 h ASP 112 Ca 0.28 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.84 3ku3 h ASP 112 Cb -0.03 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 40.96 3ku3 h ASP 112 CO -0.05 0.05 0.40 -1.28 -2.88 0.00 0.00 179.24 175.48 3ku3 h SER 113 N 0.11 0.55 -0.61 2.28 0.87 -0.64 -0.63 113.55 115.48 3ku3 h SER 113 Ca 0.06 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 3ku3 h SER 113 Cb 0.03 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3ku3 h SER 113 CO -0.06 0.32 0.09 0.78 -0.53 0.00 0.00 176.83 177.43 3ku3 h ASN 114 N 0.68 0.99 -0.15 6.23 2.35 -0.56 0.27 115.58 125.39 3ku3 h ASN 114 Ca 0.36 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3ku3 h ASN 114 Cb 0.34 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3ku3 h ASN 114 CO -0.25 1.00 -0.01 0.58 -1.65 0.00 0.00 177.43 177.10 3ku3 h VAL 115 N 0.97 1.27 -0.43 2.81 2.07 -0.95 -1.79 116.25 120.20 3ku3 h VAL 115 Ca 0.19 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.83 3ku3 h VAL 115 Cb 0.44 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3ku3 h VAL 115 CO 0.01 0.26 0.27 0.50 0.02 0.00 0.00 177.57 178.63 3ku3 h LYS 116 N 0.00 0.52 -0.59 1.57 3.64 -0.71 -0.70 116.57 120.31 3ku3 h LYS 116 Ca 0.04 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3ku3 h LYS 116 Cb 0.41 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3ku3 h LYS 116 CO 0.01 0.35 0.15 -0.91 -2.27 0.00 0.00 179.45 176.78 3ku3 h ASN 117 N 0.54 0.84 -0.14 4.20 2.35 -0.47 -0.18 115.58 122.72 3ku3 h ASN 117 Ca 0.17 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3ku3 h ASN 117 Cb -0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 3ku3 h ASN 117 CO -0.07 0.82 0.04 0.25 -1.65 0.00 0.00 177.43 176.82 3ku3 h LEU 118 N 0.87 0.21 -0.42 1.61 5.85 -0.97 0.56 115.31 123.03 3ku3 h LEU 118 Ca 0.19 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3ku3 h LEU 118 Cb 0.30 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3ku3 h LEU 118 CO -0.00 0.38 0.08 0.22 -0.34 0.00 0.00 178.44 178.77 3ku3 h TYR 119 N 0.04 0.13 -0.37 1.25 3.20 -0.86 -1.91 116.97 118.44 3ku3 h TYR 119 Ca 0.05 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3ku3 h TYR 119 Cb 0.24 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3ku3 h TYR 119 CO 0.00 0.01 -0.22 -0.44 -1.64 0.00 0.00 178.16 175.87 3ku3 h ASP 120 N 0.21 0.75 -0.21 -2.11 3.32 -0.89 0.76 116.42 118.23 3ku3 h ASP 120 Ca 0.20 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.02 3ku3 h ASP 120 Cb 0.25 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3ku3 h ASP 120 CO -0.27 0.95 0.04 0.50 -1.72 0.00 0.00 179.24 178.74 3ku3 h LYS 121 N 0.64 0.13 -0.08 3.56 3.64 -0.65 0.19 116.57 124.00 3ku3 h LYS 121 Ca 0.09 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3ku3 h LYS 121 Cb 0.72 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3ku3 h LYS 121 CO 0.06 0.08 0.03 0.28 -2.27 0.00 0.00 179.45 177.62 3ku3 h VAL 122 N 0.13 1.16 -0.50 2.00 2.07 -1.05 -2.28 116.25 117.77 3ku3 h VAL 122 Ca 0.10 -0.49 0.09 0.00 0.82 0.00 0.00 66.70 67.23 3ku3 h VAL 122 Cb 0.09 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 3ku3 h VAL 122 CO -0.13 0.14 0.04 -0.09 0.02 0.00 0.00 177.57 177.55 3ku3 h ARG 123 N -0.06 0.16 0.00 1.57 2.43 -0.68 -0.48 114.38 117.32 3ku3 h ARG 123 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3ku3 h ARG 123 Cb 0.20 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3ku3 h ARG 123 CO -0.00 0.10 0.00 0.52 -1.51 0.00 0.00 179.97 179.08 3ku3 h MET 124 N 0.16 0.00 0.13 0.20 2.86 -0.48 -1.47 114.93 116.33 3ku3 h MET 124 Ca 0.26 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.60 3ku3 h MET 124 Cb 0.37 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 3ku3 h MET 124 CO -0.39 0.00 -1.53 0.37 1.06 0.00 0.00 176.91 176.43 3ku3 h GLN 125 N 0.00 0.27 -0.03 1.72 4.15 -0.81 -3.38 115.11 117.03 3ku3 h GLN 125 Ca 0.00 -0.46 -0.14 0.00 0.77 0.00 0.00 58.65 58.82 3ku3 h GLN 125 Cb 0.57 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 3ku3 h GLN 125 CO 0.00 1.22 -0.62 -0.07 -1.93 0.00 0.00 178.83 177.43 3ku3 h LEU 126 N -0.21 0.11 0.00 -2.39 3.38 -0.97 -3.43 115.31 111.80 3ku3 h LEU 126 Ca -0.32 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3ku3 h LEU 126 Cb 1.84 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.55 3ku3 h LEU 126 CO 0.08 0.70 0.00 0.54 0.09 0.00 0.00 178.44 179.85 3ku3 n ARG 127 N -3.82 0.00 -0.21 1.13 1.74 -0.56 -1.82 116.66 113.11 3ku3 n ARG 127 Ca -0.02 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.10 3ku3 n ARG 127 Cb 0.62 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 32.20 3ku3 n ARG 127 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3ku3 n ASP 128 N 0.94 1.92 0.00 0.55 5.75 -1.26 -3.49 116.55 120.97 3ku3 n ASP 128 Ca 0.00 -2.12 0.13 0.00 -0.01 0.00 0.00 54.79 52.78 3ku3 n ASP 128 Cb 0.00 -0.32 0.67 0.00 -1.03 0.00 0.00 41.12 40.44 3ku3 n ASP 128 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3ku3 n ASN 129 N 0.28 0.00 -4.18 -1.12 4.13 -0.76 -4.84 115.26 108.77 3ku3 n ASN 129 Ca 0.10 -0.20 -0.11 0.00 1.68 0.00 0.00 54.58 56.04 3ku3 n ASN 129 Cb 0.36 -0.24 -0.10 0.00 -1.54 0.00 0.00 39.78 38.26 3ku3 n ASN 129 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3ku3 s VAL 130 N -2.48 0.50 -0.18 2.41 -7.23 -1.23 -1.10 120.40 111.09 3ku3 s VAL 130 Ca 0.27 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.39 3ku3 s VAL 130 Cb 0.17 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 3ku3 s VAL 130 CO 0.38 -0.65 0.20 -0.54 -0.31 0.00 0.00 175.10 174.18 3ku3 s LYS 131 N -3.92 4.19 -0.52 4.82 1.02 0.32 -4.91 119.74 120.74 3ku3 s LYS 131 Ca 0.18 -0.08 -0.29 0.00 0.02 0.00 0.00 55.97 55.81 3ku3 s LYS 131 Cb 0.06 -3.41 0.03 0.00 -0.52 0.00 0.00 37.83 33.99 3ku3 s LYS 131 CO -0.01 0.30 1.23 -1.21 -0.92 0.00 0.00 175.35 174.74 3ku3 s GLU 132 N 0.34 3.56 0.46 1.68 2.02 -1.26 -0.72 118.70 124.78 3ku3 s GLU 132 Ca 0.12 0.47 0.26 0.00 0.02 0.00 0.00 54.97 55.84 3ku3 s GLU 132 Cb -0.12 -4.00 0.70 0.00 0.10 0.00 0.00 34.13 30.82 3ku3 s GLU 132 CO 0.01 -1.60 1.74 -0.07 0.02 0.00 0.00 175.26 175.35 3ku3 h LEU 133 N 11.89 0.00 0.00 1.80 3.38 -1.72 -3.47 115.31 127.18 3ku3 h LEU 133 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3ku3 h LEU 133 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3ku3 h LEU 133 CO 1.15 0.07 0.00 0.61 0.09 0.00 0.00 178.44 180.36 3ku3 n GLY 134 N 0.67 0.70 0.03 0.83 0.00 -1.26 -4.94 105.19 101.23 3ku3 n GLY 134 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3ku3 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ku3 n ASN 135 N 0.00 2.08 0.00 1.61 6.94 -1.26 -4.82 115.26 119.81 3ku3 n ASN 135 Ca 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 54.58 52.17 3ku3 n ASN 135 Cb 0.00 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 3ku3 n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ku3 n GLY 136 N -0.84 0.41 3.82 4.83 0.00 -1.26 -4.47 105.19 107.68 3ku3 n GLY 136 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3ku3 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ku3 s PHE 138 N -1.39 2.49 -0.24 0.00 0.08 -1.26 -1.73 117.98 115.94 3ku3 s PHE 138 Ca 0.30 -0.85 -0.08 0.00 0.12 0.00 0.00 56.93 56.42 3ku3 s PHE 138 Cb -0.12 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 3ku3 s PHE 138 CO 0.22 -0.29 0.10 -2.00 -0.10 0.00 0.00 175.22 173.15 3ku3 s GLU 139 N 0.03 3.83 0.28 0.44 2.12 0.10 -4.90 118.70 120.60 3ku3 s GLU 139 Ca -0.10 -0.39 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 3ku3 s GLU 139 Cb -0.15 -3.38 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 3ku3 s GLU 139 CO 0.06 -0.04 0.99 -0.06 -0.54 0.00 0.00 175.26 175.67 3ku3 s PHE 140 N 1.25 3.78 -2.42 5.30 0.08 -1.26 0.12 117.98 124.83 3ku3 s PHE 140 Ca 0.05 1.82 0.23 0.00 0.12 0.00 0.00 56.93 59.15 3ku3 s PHE 140 Cb -0.14 -3.07 0.72 0.00 -0.57 0.00 0.00 43.02 39.96 3ku3 s PHE 140 CO 0.04 0.06 1.54 0.66 -0.10 0.00 0.00 175.22 177.43 3ku3 n TYR 141 N 1.15 0.19 -4.02 0.36 4.01 -0.26 -4.86 117.16 113.72 3ku3 n TYR 141 Ca -0.01 -0.09 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 3ku3 n TYR 141 Cb 0.47 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.39 3ku3 n TYR 141 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3ku3 s HIS 142 N -1.81 0.48 0.26 -0.72 -3.43 -1.26 -4.36 115.29 104.45 3ku3 s HIS 142 Ca 0.34 -0.50 -0.30 0.00 -0.80 0.00 0.00 55.06 53.80 3ku3 s HIS 142 Cb 0.19 -0.30 -0.11 0.00 -1.43 0.00 0.00 32.58 30.93 3ku3 s HIS 142 CO 0.29 -0.13 1.57 0.15 -2.00 0.00 0.00 174.74 174.63 3ku3 s LYS 143 N -1.48 4.16 -0.40 -0.38 1.02 -1.26 -4.96 119.74 116.44 3ku3 s LYS 143 Ca -0.12 2.50 0.02 0.00 0.02 0.00 0.00 55.97 58.39 3ku3 s LYS 143 Cb -0.10 -3.06 0.12 0.00 -0.52 0.00 0.00 37.83 34.27 3ku3 s LYS 143 CO -0.00 -0.60 0.17 0.00 -0.92 0.00 0.00 175.35 174.00 3ku3 n ASP 145 N 3.95 -1.50 -0.23 0.00 5.68 -1.26 -4.56 116.55 118.62 3ku3 n ASP 145 Ca 0.04 -1.16 0.02 0.00 -0.50 0.00 0.00 54.79 53.20 3ku3 n ASP 145 Cb 0.37 -0.88 0.26 0.00 -1.14 0.00 0.00 41.12 39.73 3ku3 n ASP 145 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ku3 h ASP 146 N -2.29 0.85 -0.16 -1.12 3.32 -1.99 0.42 116.42 115.45 3ku3 h ASP 146 Ca -0.36 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.54 3ku3 h ASP 146 Cb 1.08 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 3ku3 h ASP 146 CO 0.24 0.59 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.65 3ku3 h GLU 147 N 0.99 0.68 0.17 3.56 4.39 -1.99 -1.15 114.58 121.22 3ku3 h GLU 147 Ca 0.30 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3ku3 h GLU 147 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ku3 h GLU 147 CO -0.08 0.95 -0.08 0.00 -1.16 0.00 0.00 179.01 178.64 3ku3 h MET 149 N -0.30 0.82 -0.57 0.00 2.86 -0.85 -1.41 114.93 115.47 3ku3 h MET 149 Ca -0.02 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3ku3 h MET 149 Cb 0.24 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3ku3 h MET 149 CO 0.04 0.54 0.17 -0.91 1.06 0.00 0.00 176.91 177.81 3ku3 h ASN 150 N 0.84 0.79 -0.36 1.22 2.35 -0.97 -1.91 115.58 117.54 3ku3 h ASN 150 Ca 0.46 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 56.01 3ku3 h ASN 150 Cb 0.50 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3ku3 h ASN 150 CO -0.28 0.75 -0.04 0.77 -1.65 0.00 0.00 177.43 176.98 3ku3 h SER 151 N 0.83 0.74 -0.39 5.81 4.64 -0.44 -1.25 113.55 123.49 3ku3 h SER 151 Ca 0.19 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3ku3 h SER 151 Cb 0.25 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3ku3 h SER 151 CO -0.01 0.83 0.20 0.58 -0.87 0.00 0.00 176.83 177.57 3ku3 h VAL 152 N 0.70 1.16 0.00 0.95 2.07 -1.14 0.15 116.25 120.14 3ku3 h VAL 152 Ca 0.13 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3ku3 h VAL 152 Cb 0.49 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3ku3 h VAL 152 CO 0.03 0.17 -0.25 0.11 0.02 0.00 0.00 177.57 177.65 3ku3 h LYS 153 N 0.50 0.00 -0.51 1.57 1.57 -1.02 -2.82 116.57 115.86 3ku3 h LYS 153 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3ku3 h LYS 153 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3ku3 h LYS 153 CO -0.02 0.25 0.00 0.27 -0.57 0.00 0.00 179.45 179.38 3ku3 n ASN 154 N -3.40 3.40 0.00 0.86 0.23 -0.50 -4.95 115.26 110.90 3ku3 n ASN 154 Ca 0.00 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 3ku3 n ASN 154 Cb 0.45 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 3ku3 n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ku3 n GLY 155 N 1.10 0.46 1.27 4.83 0.00 -0.77 -4.93 105.19 107.14 3ku3 n GLY 155 Ca 0.18 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 3ku3 n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ku3 n THR 156 N -2.91 2.37 -2.17 2.61 -2.24 0.44 -5.02 114.28 107.36 3ku3 n THR 156 Ca 0.00 -3.69 -0.41 0.00 -2.27 0.00 0.00 64.05 57.67 3ku3 n THR 156 Cb 0.00 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.54 3ku3 n THR 156 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ku3 s TYR 157 N -3.41 3.18 -0.78 4.78 5.04 -0.95 -4.78 117.35 120.43 3ku3 s TYR 157 Ca 0.44 1.27 -0.10 0.00 -2.44 0.00 0.00 57.07 56.25 3ku3 s TYR 157 Cb 0.39 -3.64 0.20 0.00 0.35 0.00 0.00 41.96 39.26 3ku3 s TYR 157 CO -0.02 -1.92 0.68 0.34 -1.34 0.00 0.00 175.55 173.29 3ku3 s ASP 158 N 0.04 6.26 0.11 4.32 -1.08 -1.26 -4.94 116.67 120.12 3ku3 s ASP 158 Ca 0.54 -2.84 -0.26 0.00 -0.52 0.00 0.00 52.55 49.47 3ku3 s ASP 158 Cb -0.38 -2.08 -0.09 0.00 -1.46 0.00 0.00 42.92 38.91 3ku3 s ASP 158 CO 0.43 -0.47 1.66 0.22 0.52 0.00 0.00 175.17 177.53 3ku3 h TYR 159 N 7.39 -0.53 -1.00 -5.34 3.20 -1.93 -2.84 116.97 115.92 3ku3 h TYR 159 Ca 0.08 0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.16 3ku3 h TYR 159 Cb 0.99 0.22 -0.11 0.00 1.54 0.00 0.00 36.73 39.38 3ku3 h TYR 159 CO 0.91 -0.29 0.61 -1.35 -1.64 0.00 0.00 178.16 176.40 3ku3 h PRO 160 N -0.38 0.69 -0.95 1.82 0.11 -1.97 -0.47 132.00 130.86 3ku3 h PRO 160 Ca 0.03 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.21 3ku3 h PRO 160 Cb 0.40 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 31.28 3ku3 h PRO 160 CO -0.12 0.46 0.61 -0.22 -0.21 0.00 0.00 178.00 178.52 3ku3 h LYS 161 N 0.71 0.90 -0.11 1.05 3.64 -1.93 -2.99 116.57 117.85 3ku3 h LYS 161 Ca 0.58 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 3ku3 h LYS 161 Cb 0.97 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3ku3 h LYS 161 CO -0.38 0.60 0.00 0.66 -2.27 0.00 0.00 179.45 178.06 3ku3 n TYR 162 N -4.57 0.13 -0.15 1.91 4.01 -0.76 -4.70 117.16 113.02 3ku3 n TYR 162 Ca 0.17 -0.13 -0.06 0.00 -0.16 0.00 0.00 57.90 57.73 3ku3 n TYR 162 Cb 0.35 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.40 3ku3 n TYR 162 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ku3 h GLU 163 N 2.40 0.53 0.48 -0.72 4.81 -0.95 -1.29 114.58 119.84 3ku3 h GLU 163 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3ku3 h GLU 163 Cb 0.58 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3ku3 h GLU 163 CO 0.00 0.35 -0.23 0.93 -0.73 0.00 0.00 179.01 179.33 3ku3 h GLU 164 N 0.55 -0.62 -0.91 1.92 5.08 -1.84 -2.53 114.58 116.23 3ku3 h GLU 164 Ca 0.19 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 3ku3 h GLU 164 Cb 0.03 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3ku3 h GLU 164 CO -0.10 -0.33 0.59 1.49 -1.00 0.00 0.00 179.01 179.66 3ku3 h GLU 165 N -0.83 1.08 -0.13 2.33 4.81 -1.87 -2.76 114.58 117.20 3ku3 h GLU 165 Ca -0.07 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3ku3 h GLU 165 Cb 0.57 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 3ku3 h GLU 165 CO 0.11 0.71 -0.01 0.77 -0.73 0.00 0.00 179.01 179.86 3ku3 h SER 166 N 1.11 0.24 -0.21 1.04 0.02 -1.20 -2.62 113.55 111.93 3ku3 h SER 166 Ca 0.38 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3ku3 h SER 166 Cb 0.07 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3ku3 h SER 166 CO -0.14 0.51 -0.00 0.07 -1.14 0.00 0.00 176.83 176.12 3ku3 h LYS 167 N -0.04 0.50 -0.54 3.45 5.09 -1.39 0.16 116.57 123.80 3ku3 h LYS 167 Ca 0.04 -0.10 -0.06 0.00 0.09 0.00 0.00 60.65 60.61 3ku3 h LYS 167 Cb 0.39 -0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.63 3ku3 h LYS 167 CO 0.01 0.53 0.09 -0.07 -2.09 0.00 0.00 179.45 177.92 3ku3 h LEU 168 N 0.48 0.86 -0.64 7.07 3.38 -1.47 -2.86 115.31 122.13 3ku3 h LEU 168 Ca 0.10 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 3ku3 h LEU 168 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ku3 h LEU 168 CO 0.01 0.90 -0.64 0.78 0.09 0.00 0.00 178.44 179.58 3ku3 h ASN 169 N 0.78 0.19 0.35 -0.43 2.35 -0.99 -1.44 115.58 116.40 3ku3 h ASN 169 Ca 0.16 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 3ku3 h ASN 169 Cb 0.41 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3ku3 h ASN 169 CO 0.01 0.78 -0.44 -0.09 -1.65 0.00 0.00 177.43 176.04 3ku3 h ARG 170 N 0.12 0.11 0.01 0.81 2.43 -0.99 -3.33 114.38 113.54 3ku3 h ARG 170 Ca -0.01 -0.05 -0.35 0.00 -0.81 0.00 0.00 59.98 58.76 3ku3 h ARG 170 Cb 1.15 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.64 3ku3 h ARG 170 CO 0.09 0.53 -2.16 0.09 -1.51 0.00 0.00 179.97 177.01 3ku3 n ASN 171 N -4.01 0.71 0.00 -3.80 3.02 -1.08 -5.10 115.26 105.01 3ku3 n ASN 171 Ca -0.02 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3ku3 n ASN 171 Cb 0.48 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 3ku3 n ASN 171 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80