#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ku6 h LEU 2 N 0.00 0.18 -1.14 0.99 5.85 -1.94 -2.28 115.31 116.97 3ku6 h LEU 2 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ku6 h LEU 2 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3ku6 h LEU 2 CO 0.00 0.13 -0.27 0.49 -0.34 0.00 0.00 178.44 178.45 3ku6 n PHE 3 N -4.50 0.00 -0.97 1.25 3.72 -1.26 -4.99 117.46 110.71 3ku6 n PHE 3 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3ku6 n PHE 3 Cb 0.16 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3ku6 n PHE 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ku6 n GLY 4 N 1.18 0.74 0.03 1.37 0.00 -0.86 -4.90 105.19 102.76 3ku6 n GLY 4 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 3ku6 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ku6 n ALA 5 N 1.00 0.22 -1.88 4.61 0.00 -1.26 -1.54 120.51 121.66 3ku6 n ALA 5 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 3ku6 n ALA 5 Cb 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 3ku6 n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ku6 s ILE 6 N -1.58 2.71 -1.50 0.00 1.01 -1.26 -1.10 121.20 119.49 3ku6 s ILE 6 Ca -0.07 0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.79 3ku6 s ILE 6 Cb 0.01 -3.23 0.12 0.00 0.01 0.00 0.00 42.46 39.37 3ku6 s ILE 6 CO 0.11 0.01 0.69 0.00 0.00 0.00 0.00 174.94 175.75 3ku6 n ALA 7 N 4.85 -1.17 -2.59 9.38 0.00 -1.16 -4.14 120.51 125.67 3ku6 n ALA 7 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3ku6 n ALA 7 Cb 0.39 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.54 3ku6 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ku6 n GLY 8 N -1.32 3.28 0.19 0.00 0.00 -0.25 -4.71 105.19 102.37 3ku6 n GLY 8 Ca 0.04 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.78 3ku6 n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3ku6 h PHE 9 N 0.00 0.00 -2.89 1.61 -5.15 -1.23 -3.26 116.94 106.02 3ku6 h PHE 9 Ca 0.00 0.00 -0.70 0.00 -0.20 0.00 0.00 57.97 57.07 3ku6 h PHE 9 Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 35.95 35.97 3ku6 h PHE 9 CO 0.00 0.39 0.34 0.42 -2.00 0.00 0.00 178.31 177.46 3ku6 s ILE 10 N -3.81 4.86 0.24 0.88 1.01 -0.81 -4.26 121.20 119.31 3ku6 s ILE 10 Ca -0.01 -1.29 0.23 0.00 0.00 0.00 0.00 60.65 59.59 3ku6 s ILE 10 Cb 0.12 -4.58 0.22 0.00 0.01 0.00 0.00 42.46 38.24 3ku6 s ILE 10 CO 0.70 -1.24 1.88 -0.33 0.00 0.00 0.00 174.94 175.95 3ku6 h GLU 11 N 8.94 0.00 -3.91 2.79 5.08 -1.79 -3.08 114.58 122.60 3ku6 h GLU 11 Ca -0.12 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 3ku6 h GLU 11 Cb 1.06 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 3ku6 h GLU 11 CO 1.06 0.23 -0.34 0.20 -1.00 0.00 0.00 179.01 179.16 3ku6 s GLY 12 N -4.27 0.48 0.61 -3.84 0.00 -1.26 -4.49 107.32 94.54 3ku6 s GLY 12 Ca -0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 3ku6 s GLY 12 CO 0.64 -0.86 0.87 -0.32 0.00 0.00 0.00 173.10 173.42 3ku6 s GLY 13 N -2.96 1.78 -0.31 0.20 0.00 -1.26 -4.94 107.32 99.83 3ku6 s GLY 13 Ca 0.17 -1.25 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 3ku6 s GLY 13 CO -0.01 -0.90 0.03 -0.98 0.00 0.00 0.00 173.10 171.24 3ku6 s TRP 14 N -2.94 3.24 0.41 1.90 0.51 -1.26 -4.93 118.94 115.86 3ku6 s TRP 14 Ca 0.59 -1.67 0.14 0.00 -2.12 0.00 0.00 56.10 53.04 3ku6 s TRP 14 Cb -0.10 -2.16 0.89 0.00 -0.81 0.00 0.00 33.47 31.29 3ku6 s TRP 14 CO 0.41 -0.77 1.92 1.96 -0.51 0.00 0.00 176.95 179.96 3ku6 h GLN 15 N 8.07 0.00 0.00 4.98 1.08 -2.04 -2.96 115.11 124.25 3ku6 h GLN 15 Ca -0.23 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 3ku6 h GLN 15 Cb 1.07 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3ku6 h GLN 15 CO 0.56 0.26 -0.05 0.78 -0.95 0.00 0.00 178.83 179.44 3ku6 h GLY 16 N 0.82 0.00 -7.31 3.46 0.00 -2.04 -3.40 103.07 94.59 3ku6 h GLY 16 Ca -0.00 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.56 3ku6 h GLY 16 CO 0.03 0.00 -0.14 -0.29 0.00 0.00 0.00 176.54 176.15 3ku6 s MET 17 N -3.92 3.14 0.04 4.80 -2.45 -1.12 -4.85 119.30 114.95 3ku6 s MET 17 Ca -0.01 -1.94 0.22 0.00 -1.25 0.00 0.00 55.69 52.71 3ku6 s MET 17 Cb 0.11 -4.32 -0.23 0.00 1.25 0.00 0.00 34.83 31.64 3ku6 s MET 17 CO 0.53 -1.31 0.66 1.33 1.05 0.00 0.00 175.02 177.27 3ku6 n VAL 18 N 4.85 0.20 -1.63 10.11 0.24 -1.26 -4.53 118.33 126.31 3ku6 n VAL 18 Ca -0.06 -0.52 -0.18 0.00 -2.04 0.00 0.00 64.34 61.54 3ku6 n VAL 18 Cb 0.42 -0.11 0.11 0.00 -1.47 0.00 0.00 33.84 32.79 3ku6 n VAL 18 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3ku6 n ASP 19 N -2.39 4.48 0.00 -1.34 5.75 -1.26 -5.00 116.55 116.79 3ku6 n ASP 19 Ca -0.03 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 50.97 3ku6 n ASP 19 Cb 0.57 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3ku6 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ku6 n GLY 20 N -0.94 1.05 0.11 6.12 0.00 -1.26 -4.80 105.19 105.46 3ku6 n GLY 20 Ca 0.44 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 3ku6 n GLY 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ku6 h TRP 21 N 0.00 0.45 -3.82 1.61 6.55 -1.91 -3.47 115.95 115.35 3ku6 h TRP 21 Ca 0.00 -0.33 -0.31 0.00 0.95 0.00 0.00 58.89 59.20 3ku6 h TRP 21 Cb 0.00 -0.02 -0.19 0.00 -0.86 0.00 0.00 29.16 28.09 3ku6 h TRP 21 CO 0.00 1.30 -0.74 0.71 -1.05 0.00 0.00 178.44 178.67 3ku6 s TYR 22 N -2.64 0.98 -1.93 0.49 2.02 -1.26 -5.08 117.35 109.93 3ku6 s TYR 22 Ca -0.06 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.03 3ku6 s TYR 22 Cb 0.07 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 3ku6 s TYR 22 CO 0.87 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 175.24 3ku6 n GLY 23 N 0.82 -0.68 3.27 0.71 0.00 -1.26 -0.30 105.19 107.75 3ku6 n GLY 23 Ca -0.18 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 3ku6 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ku6 s TYR 24 N -3.93 1.60 -0.11 1.61 2.02 0.73 -4.85 117.35 114.41 3ku6 s TYR 24 Ca 0.00 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 3ku6 s TYR 24 Cb 0.00 -0.84 0.02 0.00 -0.40 0.00 0.00 41.96 40.74 3ku6 s TYR 24 CO 0.00 0.21 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.50 3ku6 s HIS 25 N -1.77 1.71 0.14 2.71 5.65 -1.26 -1.54 115.29 120.92 3ku6 s HIS 25 Ca 0.09 -0.85 0.07 0.00 0.25 0.00 0.00 55.06 54.63 3ku6 s HIS 25 Cb -0.07 -1.32 -0.04 0.00 -1.18 0.00 0.00 32.58 29.97 3ku6 s HIS 25 CO 0.04 -0.51 -0.05 -3.38 -0.65 0.00 0.00 174.74 170.19 3ku6 s HIS 26 N 1.38 2.79 -0.19 3.88 -3.43 -1.00 -5.00 115.29 113.72 3ku6 s HIS 26 Ca 0.00 -0.15 -0.04 0.00 -0.80 0.00 0.00 55.06 54.07 3ku6 s HIS 26 Cb -0.13 -1.40 0.08 0.00 -1.43 0.00 0.00 32.58 29.70 3ku6 s HIS 26 CO -0.06 0.48 0.20 0.45 -2.00 0.00 0.00 174.74 173.81 3ku6 s SER 27 N -2.59 1.40 0.00 7.38 0.15 -1.26 -2.58 113.70 116.21 3ku6 s SER 27 Ca 0.25 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.70 3ku6 s SER 27 Cb -0.10 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 3ku6 s SER 27 CO 0.16 -0.32 0.00 -0.46 1.20 0.00 0.00 173.24 173.82 3ku6 n ASN 28 N 5.32 0.03 -0.04 5.45 0.23 -0.50 -5.01 115.26 120.73 3ku6 n ASN 28 Ca -0.06 -0.13 -0.06 0.00 -0.53 0.00 0.00 54.58 53.80 3ku6 n ASN 28 Cb 0.49 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.32 3ku6 n ASN 28 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3ku6 h ASP 29 N 0.00 0.66 0.70 0.53 3.32 -2.00 -2.97 116.42 116.66 3ku6 h ASP 29 Ca 0.00 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 3ku6 h ASP 29 Cb 0.00 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3ku6 h ASP 29 CO 0.00 0.89 -0.01 1.56 -1.72 0.00 0.00 179.24 179.97 3ku6 h GLN 30 N 0.57 0.00 0.00 3.56 4.20 -1.97 -3.49 115.11 117.98 3ku6 h GLN 30 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3ku6 h GLN 30 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3ku6 h GLN 30 CO 0.06 0.01 0.00 0.41 -0.67 0.00 0.00 178.83 178.63 3ku6 n GLY 31 N -0.32 0.45 3.65 3.46 0.00 -1.12 -5.14 105.19 106.17 3ku6 n GLY 31 Ca -0.01 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 3ku6 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ku6 s SER 32 N -4.00 -0.40 0.00 1.61 1.04 -1.26 -1.42 113.70 109.28 3ku6 s SER 32 Ca 0.00 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3ku6 s SER 32 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3ku6 s SER 32 CO 0.00 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.66 3ku6 n GLY 33 N -0.42 1.12 3.92 7.32 0.00 -1.06 -5.02 105.19 111.06 3ku6 n GLY 33 Ca -0.10 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 3ku6 n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ku6 s TYR 34 N -2.00 3.38 -0.29 1.61 2.02 -1.26 -2.38 117.35 118.43 3ku6 s TYR 34 Ca 0.00 0.00 -0.14 0.00 -0.37 0.00 0.00 57.07 56.56 3ku6 s TYR 34 Cb 0.00 -1.56 0.12 0.00 -0.40 0.00 0.00 41.96 40.12 3ku6 s TYR 34 CO 0.00 0.48 0.79 0.00 -1.57 0.00 0.00 175.55 175.25 3ku6 s ALA 35 N -1.92 -2.14 0.43 3.71 0.00 -0.59 -5.01 121.76 116.23 3ku6 s ALA 35 Ca 0.34 2.30 -0.23 0.00 0.00 0.00 0.00 51.96 54.36 3ku6 s ALA 35 Cb -0.09 -1.68 -0.08 0.00 0.00 0.00 0.00 23.12 21.26 3ku6 s ALA 35 CO 0.28 -0.61 1.08 0.00 0.00 0.00 0.00 175.76 176.51 3ku6 s ALA 36 N 2.04 3.03 -0.48 0.00 0.00 -1.26 -0.19 121.76 124.89 3ku6 s ALA 36 Ca -0.08 0.76 -0.26 0.00 0.00 0.00 0.00 51.96 52.38 3ku6 s ALA 36 Cb -0.07 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.78 3ku6 s ALA 36 CO -0.18 -0.36 0.97 0.34 0.00 0.00 0.00 175.76 176.54 3ku6 s ASP 37 N -1.55 6.50 0.13 0.00 2.15 0.59 -4.84 116.67 119.65 3ku6 s ASP 37 Ca 0.61 0.13 -0.12 0.00 0.43 0.00 0.00 52.55 53.60 3ku6 s ASP 37 Cb -0.23 -2.47 -0.07 0.00 -0.30 0.00 0.00 42.92 39.85 3ku6 s ASP 37 CO 0.29 -1.12 1.44 0.11 -0.17 0.00 0.00 175.17 175.72 3ku6 h LYS 38 N 9.15 0.90 0.25 4.34 1.79 -1.94 -2.57 116.57 128.50 3ku6 h LYS 38 Ca -0.24 -0.51 -0.01 0.00 -2.18 0.00 0.00 60.65 57.70 3ku6 h LYS 38 Cb 1.07 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3ku6 h LYS 38 CO 1.06 1.16 -0.12 0.93 -1.08 0.00 0.00 179.45 181.40 3ku6 h GLU 39 N 0.71 -0.33 -0.43 3.15 3.07 -1.98 -1.16 114.58 117.61 3ku6 h GLU 39 Ca 0.04 0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 3ku6 h GLU 39 Cb 1.04 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 3ku6 h GLU 39 CO 0.10 -0.22 -0.19 0.66 -1.40 0.00 0.00 179.01 177.97 3ku6 h SER 40 N -0.34 0.90 -0.19 1.42 4.64 -1.96 -1.60 113.55 116.42 3ku6 h SER 40 Ca -0.03 -0.40 0.03 0.00 -0.47 0.00 0.00 61.79 60.92 3ku6 h SER 40 Cb 0.26 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 3ku6 h SER 40 CO 0.06 1.10 0.01 0.74 -0.87 0.00 0.00 176.83 177.86 3ku6 h THR 41 N 0.70 0.88 -0.62 2.95 2.02 -1.45 -2.07 112.91 115.32 3ku6 h THR 41 Ca 0.10 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3ku6 h THR 41 Cb 0.75 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3ku6 h THR 41 CO 0.06 0.01 0.34 -0.61 0.37 0.00 0.00 175.52 175.69 3ku6 h GLN 42 N 0.08 0.87 -0.85 6.66 5.75 -1.05 0.77 115.11 127.34 3ku6 h GLN 42 Ca 0.09 -0.10 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3ku6 h GLN 42 Cb 0.10 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 3ku6 h GLN 42 CO -0.14 0.66 0.54 -0.22 -2.65 0.00 0.00 178.83 177.03 3ku6 h LYS 43 N 0.85 1.02 -0.25 1.69 3.11 -1.19 -1.41 116.57 120.39 3ku6 h LYS 43 Ca 0.22 -0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 57.89 3ku6 h LYS 43 Cb 0.05 -0.23 -0.00 0.00 -1.00 0.00 0.00 32.23 31.04 3ku6 h LYS 43 CO -0.03 0.68 -0.28 0.00 -2.81 0.00 0.00 179.45 177.00 3ku6 h ALA 44 N 1.35 0.37 -0.50 5.00 0.00 -0.94 -2.58 119.26 121.96 3ku6 h ALA 44 Ca 0.34 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3ku6 h ALA 44 Cb 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3ku6 h ALA 44 CO -0.12 0.37 0.17 0.35 0.00 0.00 0.00 179.25 180.03 3ku6 h PHE 45 N 0.34 0.30 -0.48 0.00 3.57 -0.59 -0.05 116.94 120.02 3ku6 h PHE 45 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3ku6 h PHE 45 Cb 0.85 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 3ku6 h PHE 45 CO 0.08 0.09 0.25 -0.44 -2.23 0.00 0.00 178.31 176.06 3ku6 h ASP 46 N 0.35 0.62 -0.08 0.41 3.32 -1.22 -0.14 116.42 119.67 3ku6 h ASP 46 Ca 0.24 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.20 3ku6 h ASP 46 Cb 0.27 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3ku6 h ASP 46 CO -0.25 0.55 -0.02 1.23 -1.72 0.00 0.00 179.24 179.02 3ku6 h GLY 47 N 0.64 0.05 1.03 2.75 0.00 -1.07 -1.34 103.07 105.14 3ku6 h GLY 47 Ca 0.17 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 3ku6 h GLY 47 CO -0.02 -0.03 0.17 -2.22 0.00 0.00 0.00 176.54 174.43 3ku6 h ILE 48 N -0.01 1.25 -0.47 2.60 1.08 -0.81 0.10 117.51 121.25 3ku6 h ILE 48 Ca 0.04 -0.91 0.01 0.00 -0.39 0.00 0.00 64.86 63.61 3ku6 h ILE 48 Cb 0.07 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 3ku6 h ILE 48 CO -0.09 0.35 0.31 0.74 -0.69 0.00 0.00 178.15 178.77 3ku6 h THR 49 N 0.95 1.10 -0.78 -0.27 2.02 -0.94 -1.65 112.91 113.34 3ku6 h THR 49 Ca 0.21 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3ku6 h THR 49 Cb 0.34 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3ku6 h THR 49 CO -0.00 0.11 0.48 -1.13 0.37 0.00 0.00 175.52 175.35 3ku6 h ASN 50 N 0.62 0.93 0.15 4.18 -0.73 -0.77 -2.78 115.58 117.18 3ku6 h ASN 50 Ca 0.18 -0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 3ku6 h ASN 50 Cb -0.05 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.31 3ku6 h ASN 50 CO -0.05 0.71 -0.07 0.50 -0.37 0.00 0.00 177.43 178.15 3ku6 h LYS 51 N 1.08 -0.20 -0.41 6.67 3.64 0.01 -1.70 116.57 125.67 3ku6 h LYS 51 Ca 0.28 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3ku6 h LYS 51 Cb -0.06 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3ku6 h LYS 51 CO -0.05 -0.04 0.25 -0.39 -2.27 0.00 0.00 179.45 176.95 3ku6 h VAL 52 N -0.32 1.13 -0.88 2.00 -1.51 -1.31 -1.92 116.25 113.44 3ku6 h VAL 52 Ca -0.02 -0.28 0.07 0.00 -1.23 0.00 0.00 66.70 65.24 3ku6 h VAL 52 Cb 0.25 0.58 -0.07 0.00 -2.13 0.00 0.00 31.29 29.92 3ku6 h VAL 52 CO 0.03 0.13 0.54 0.78 -1.23 0.00 0.00 177.57 177.82 3ku6 h ASN 53 N 0.54 0.84 -0.62 4.19 2.35 -1.46 -2.20 115.58 119.23 3ku6 h ASN 53 Ca 0.15 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 3ku6 h ASN 53 Cb -0.01 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3ku6 h ASN 53 CO -0.03 0.52 0.07 0.28 -1.65 0.00 0.00 177.43 176.62 3ku6 h SER 54 N 0.97 1.01 -0.16 5.81 0.02 -0.71 -0.01 113.55 120.47 3ku6 h SER 54 Ca 0.39 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3ku6 h SER 54 Cb 0.22 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3ku6 h SER 54 CO -0.19 1.03 -0.06 -0.37 -1.14 0.00 0.00 176.83 176.10 3ku6 h VAL 55 N 0.95 1.30 0.25 2.27 -1.51 -1.01 -2.05 116.25 116.45 3ku6 h VAL 55 Ca 0.18 -1.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3ku6 h VAL 55 Cb 0.47 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.27 3ku6 h VAL 55 CO 0.02 0.32 -0.28 0.40 -1.23 0.00 0.00 177.57 176.80 3ku6 h ILE 56 N 0.02 0.41 -0.25 7.19 2.04 -1.38 -3.19 117.51 122.34 3ku6 h ILE 56 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3ku6 h ILE 56 Cb 0.52 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3ku6 h ILE 56 CO 0.02 0.00 0.11 -0.33 0.00 0.00 0.00 178.15 177.96 3ku6 h GLU 57 N -0.57 0.35 0.00 2.37 5.08 -0.92 -1.99 114.58 118.90 3ku6 h GLU 57 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ku6 h GLU 57 Cb 0.54 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3ku6 h GLU 57 CO -0.07 0.28 -0.06 0.87 -1.00 0.00 0.00 179.01 179.02 3ku6 h LYS 58 N 0.35 0.00 -1.32 2.33 1.79 -1.36 -3.08 116.57 115.28 3ku6 h LYS 58 Ca 0.09 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.92 3ku6 h LYS 58 Cb 0.05 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 30.34 3ku6 h LYS 58 CO -0.01 0.06 0.01 -1.33 -1.08 0.00 0.00 179.45 177.10 3ku6 n MET 59 N -3.20 3.16 -0.05 3.15 2.81 -0.75 -4.48 117.12 117.76 3ku6 n MET 59 Ca 0.00 -3.93 -0.01 0.00 -1.81 0.00 0.00 57.70 51.95 3ku6 n MET 59 Cb 0.32 -2.27 -0.14 0.00 -0.71 0.00 0.00 33.22 30.42 3ku6 n MET 59 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3ku6 n ASN 60 N -0.65 0.70 -3.93 7.83 3.02 -1.17 -4.50 115.26 116.57 3ku6 n ASN 60 Ca 0.49 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.61 3ku6 n ASN 60 Cb 0.64 1.33 0.00 0.00 -0.61 0.00 0.00 39.78 41.14 3ku6 n ASN 60 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ku6 n THR 61 N -2.43 4.48 -4.89 3.41 -2.24 -1.26 -4.98 114.28 106.36 3ku6 n THR 61 Ca -0.18 -4.64 -0.30 0.00 -2.27 0.00 0.00 64.05 56.67 3ku6 n THR 61 Cb 0.82 -2.33 -0.15 0.00 -2.10 0.00 0.00 70.33 66.57 3ku6 n THR 61 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3ku6 s GLN 62 N 0.02 1.76 0.40 -0.78 0.74 -1.26 -5.11 119.66 115.43 3ku6 s GLN 62 Ca 0.39 -1.08 -0.26 0.00 0.05 0.00 0.00 55.36 54.45 3ku6 s GLN 62 Cb 0.08 -1.92 -0.11 0.00 1.10 0.00 0.00 33.01 32.16 3ku6 s GLN 62 CO 0.02 0.50 1.26 0.34 -0.55 0.00 0.00 175.29 176.86 3ku6 n PHE 63 N 1.81 2.12 -5.15 1.67 7.35 -1.26 -5.03 117.46 118.97 3ku6 n PHE 63 Ca -0.17 0.52 -0.30 0.00 -0.76 0.00 0.00 57.45 56.74 3ku6 n PHE 63 Cb 0.52 -2.38 -0.17 0.00 0.35 0.00 0.00 39.48 37.81 3ku6 n PHE 63 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3ku6 s GLU 64 N -2.10 2.52 0.13 -4.13 2.02 -1.26 -4.98 118.70 110.89 3ku6 s GLU 64 Ca 0.59 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 3ku6 s GLU 64 Cb -0.53 -2.06 -0.07 0.00 0.10 0.00 0.00 34.13 31.57 3ku6 s GLU 64 CO 0.59 0.29 1.14 0.00 0.02 0.00 0.00 175.26 177.30 3ku6 s ALA 65 N 0.05 3.37 -0.20 5.21 0.00 -1.26 -5.04 121.76 123.89 3ku6 s ALA 65 Ca -0.08 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.72 3ku6 s ALA 65 Cb -0.15 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.61 3ku6 s ALA 65 CO 0.05 -0.31 -0.18 0.08 0.00 0.00 0.00 175.76 175.40 3ku6 s VAL 66 N 0.31 2.08 0.01 0.00 1.01 -1.26 -5.10 120.40 117.45 3ku6 s VAL 66 Ca 0.53 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3ku6 s VAL 66 Cb -0.29 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 3ku6 s VAL 66 CO 0.33 0.41 1.82 -0.83 0.00 0.00 0.00 175.10 176.83 3ku6 s GLY 67 N 1.25 1.48 0.06 4.51 0.00 -1.26 -5.00 107.32 108.36 3ku6 s GLY 67 Ca 0.02 1.19 0.02 0.00 0.00 0.00 0.00 44.72 45.95 3ku6 s GLY 67 CO -0.11 3.25 -0.07 0.54 0.00 0.00 0.00 173.10 176.71 3ku6 s LYS 68 N 4.04 0.63 0.21 2.90 1.02 -1.26 -5.17 119.74 122.11 3ku6 s LYS 68 Ca 0.81 -0.95 0.11 0.00 0.02 0.00 0.00 55.97 55.97 3ku6 s LYS 68 Cb -0.39 -0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 36.61 3ku6 s LYS 68 CO 0.36 0.03 -0.23 -1.21 -0.92 0.00 0.00 175.35 173.38 3ku6 s GLU 69 N -2.33 1.54 0.02 1.68 2.02 -1.26 -5.16 118.70 115.22 3ku6 s GLU 69 Ca -0.03 -1.57 0.01 0.00 0.02 0.00 0.00 54.97 53.40 3ku6 s GLU 69 Cb -0.05 -1.80 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 3ku6 s GLU 69 CO -0.01 0.38 -0.05 -0.06 0.02 0.00 0.00 175.26 175.54 3ku6 s PHE 70 N -1.87 0.41 0.94 1.61 0.08 -1.26 -5.08 117.98 112.81 3ku6 s PHE 70 Ca 0.23 -0.36 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 3ku6 s PHE 70 Cb -0.07 -0.26 0.15 0.00 -0.57 0.00 0.00 43.02 42.27 3ku6 s PHE 70 CO 0.11 -0.09 1.13 -1.54 -0.10 0.00 0.00 175.22 174.73 3ku6 s SER 71 N -1.05 3.27 0.00 1.36 1.04 -1.26 -4.91 113.70 112.15 3ku6 s SER 71 Ca -0.08 0.99 0.17 0.00 0.48 0.00 0.00 55.95 57.50 3ku6 s SER 71 Cb -0.07 -1.57 0.76 0.00 0.10 0.00 0.00 66.02 65.24 3ku6 s SER 71 CO -0.00 -2.70 1.51 -0.46 0.98 0.00 0.00 173.24 172.57 3ku6 n ASN 72 N -3.87 0.00 -1.15 7.02 6.94 -1.26 -1.89 115.26 121.05 3ku6 n ASN 72 Ca 0.06 0.32 0.08 0.00 -0.02 0.00 0.00 54.58 55.02 3ku6 n ASN 72 Cb 0.59 -0.41 0.28 0.00 -2.36 0.00 0.00 39.78 37.88 3ku6 n ASN 72 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3ku6 n LEU 73 N -1.41 4.20 -2.26 -4.53 4.32 -1.26 -4.46 117.00 111.59 3ku6 n LEU 73 Ca 0.06 -2.69 -0.17 0.00 -0.02 0.00 0.00 56.01 53.18 3ku6 n LEU 73 Cb 0.17 -0.52 0.03 0.00 -1.62 0.00 0.00 43.42 41.48 3ku6 n LEU 73 CO 0.14 0.71 0.13 -0.62 -1.22 0.00 0.00 177.39 176.53 3ku6 n GLU 74 N 0.22 3.08 0.05 3.23 1.02 -0.79 -4.87 120.64 122.57 3ku6 n GLU 74 Ca 0.22 -3.99 -0.03 0.00 -0.02 0.00 0.00 57.16 53.33 3ku6 n GLU 74 Cb 0.85 -2.09 0.20 0.00 -0.02 0.00 0.00 31.44 30.39 3ku6 n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ku6 h ARG 75 N 2.32 0.38 -0.25 3.49 2.47 -1.78 -0.02 114.38 120.99 3ku6 h ARG 75 Ca 0.22 -0.16 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 3ku6 h ARG 75 Cb 1.45 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.75 3ku6 h ARG 75 CO 0.60 0.68 0.01 0.00 0.56 0.00 0.00 179.97 181.82 3ku6 h ARG 76 N 0.33 0.43 -0.46 0.04 3.08 -1.95 -0.50 114.38 115.35 3ku6 h ARG 76 Ca 0.04 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3ku6 h ARG 76 Cb 0.76 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3ku6 h ARG 76 CO 0.06 0.60 0.28 1.25 -1.07 0.00 0.00 179.97 181.09 3ku6 h LEU 77 N 0.21 0.55 -0.66 3.04 5.85 -1.89 0.76 115.31 123.16 3ku6 h LEU 77 Ca 0.07 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3ku6 h LEU 77 Cb 0.40 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3ku6 h LEU 77 CO 0.01 0.43 0.39 -0.08 -0.34 0.00 0.00 178.44 178.85 3ku6 h GLU 78 N 0.61 0.71 -0.58 1.25 4.81 -0.90 -0.64 114.58 119.85 3ku6 h GLU 78 Ca 0.16 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 3ku6 h GLU 78 Cb -0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3ku6 h GLU 78 CO -0.03 0.47 0.07 -0.97 -0.73 0.00 0.00 179.01 177.82 3ku6 h ASN 79 N 0.74 0.90 -0.40 1.04 -0.73 -0.50 -0.06 115.58 116.57 3ku6 h ASN 79 Ca 0.28 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 3ku6 h ASN 79 Cb 0.10 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 3ku6 h ASN 79 CO -0.14 0.93 0.20 0.25 -0.37 0.00 0.00 177.43 178.29 3ku6 h LEU 80 N 0.89 0.52 -0.40 0.34 6.46 -0.44 0.26 115.31 122.94 3ku6 h LEU 80 Ca 0.18 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3ku6 h LEU 80 Cb 0.43 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 3ku6 h LEU 80 CO 0.01 0.50 0.19 -1.13 -0.62 0.00 0.00 178.44 177.39 3ku6 h ASN 81 N 0.51 0.53 -0.08 1.25 -0.73 -0.75 -0.49 115.58 115.83 3ku6 h ASN 81 Ca 0.14 -0.14 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 3ku6 h ASN 81 Cb 0.11 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 3ku6 h ASN 81 CO -0.02 0.52 0.04 0.50 -0.37 0.00 0.00 177.43 178.10 3ku6 h LYS 82 N 0.51 0.12 -0.79 6.67 3.64 -0.71 -1.13 116.57 124.89 3ku6 h LYS 82 Ca 0.14 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3ku6 h LYS 82 Cb 0.13 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 3ku6 h LYS 82 CO -0.02 0.20 0.52 0.87 -2.27 0.00 0.00 179.45 178.75 3ku6 h LYS 83 N 0.01 0.85 0.10 1.90 1.79 -0.33 -0.00 116.57 120.88 3ku6 h LYS 83 Ca 0.03 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3ku6 h LYS 83 Cb 0.12 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 3ku6 h LYS 83 CO -0.00 0.56 -0.05 1.98 -1.08 0.00 0.00 179.45 180.86 3ku6 h MET 84 N 0.87 -0.13 -0.50 3.15 4.05 -0.85 0.10 114.93 121.63 3ku6 h MET 84 Ca 0.33 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.72 3ku6 h MET 84 Cb 0.20 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 3ku6 h MET 84 CO -0.11 0.31 0.14 0.93 0.23 0.00 0.00 176.91 178.40 3ku6 h GLU 85 N -0.61 0.78 -0.92 0.39 5.08 -1.05 -1.02 114.58 117.22 3ku6 h GLU 85 Ca -0.01 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3ku6 h GLU 85 Cb 0.49 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3ku6 h GLU 85 CO 0.02 0.75 0.61 -0.44 -1.00 0.00 0.00 179.01 178.95 3ku6 h ASP 86 N 0.68 1.05 -0.45 1.42 3.32 -1.07 -1.77 116.42 119.60 3ku6 h ASP 86 Ca 0.16 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3ku6 h ASP 86 Cb 0.31 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3ku6 h ASP 86 CO -0.00 0.76 0.05 1.23 -1.72 0.00 0.00 179.24 179.56 3ku6 h GLY 87 N 1.24 0.82 1.22 2.75 0.00 -0.18 -0.32 103.07 108.60 3ku6 h GLY 87 Ca 0.34 -0.56 -0.17 0.00 0.00 0.00 0.00 47.33 46.94 3ku6 h GLY 87 CO -0.08 0.52 -0.48 0.74 0.00 0.00 0.00 176.54 177.24 3ku6 h PHE 88 N 0.62 1.02 -0.43 5.60 0.04 -1.14 -1.72 116.94 120.92 3ku6 h PHE 88 Ca 0.13 -0.34 0.08 0.00 2.80 0.00 0.00 57.97 60.65 3ku6 h PHE 88 Cb 0.42 -0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.29 3ku6 h PHE 88 CO 0.03 1.15 -0.05 1.25 -0.60 0.00 0.00 178.31 180.09 3ku6 h LEU 89 N 0.65 -0.28 -0.76 1.54 5.85 -1.16 0.51 115.31 121.67 3ku6 h LEU 89 Ca 0.03 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 3ku6 h LEU 89 Cb 1.07 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3ku6 h LEU 89 CO 0.11 -0.10 -0.04 0.44 -0.34 0.00 0.00 178.44 178.51 3ku6 h ASP 90 N 0.06 0.88 -0.15 1.25 3.32 -0.94 -0.32 116.42 120.51 3ku6 h ASP 90 Ca 0.21 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3ku6 h ASP 90 Cb 0.32 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3ku6 h ASP 90 CO -0.40 0.96 0.09 0.58 -1.72 0.00 0.00 179.24 178.75 3ku6 h VAL 91 N 0.82 1.08 -0.03 -1.35 2.07 -0.74 -1.30 116.25 116.81 3ku6 h VAL 91 Ca 0.15 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 3ku6 h VAL 91 Cb 0.55 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3ku6 h VAL 91 CO 0.03 0.08 -0.65 -0.50 0.02 0.00 0.00 177.57 176.55 3ku6 h TRP 92 N 0.16 0.16 -0.17 1.57 4.06 -0.72 -0.17 115.95 120.84 3ku6 h TRP 92 Ca 0.05 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 3ku6 h TRP 92 Cb 0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 3ku6 h TRP 92 CO -0.05 0.74 0.06 1.15 -3.56 0.00 0.00 178.44 176.78 3ku6 h THR 93 N 0.09 1.16 -0.10 1.49 2.02 -1.02 -0.82 112.91 115.73 3ku6 h THR 93 Ca -0.01 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.72 3ku6 h THR 93 Cb 1.16 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 3ku6 h THR 93 CO 0.09 0.15 -0.18 0.22 0.37 0.00 0.00 175.52 176.17 3ku6 h TYR 94 N 0.11 -0.48 -0.54 3.16 3.20 -0.98 0.15 116.97 121.60 3ku6 h TYR 94 Ca 0.06 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.02 3ku6 h TYR 94 Cb 0.18 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 3ku6 h TYR 94 CO -0.01 -0.26 0.22 -0.91 -1.64 0.00 0.00 178.16 175.56 3ku6 h ASN 95 N -0.25 0.25 -0.02 -2.11 2.35 -0.88 1.00 115.58 115.92 3ku6 h ASN 95 Ca 0.09 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3ku6 h ASN 95 Cb 0.37 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3ku6 h ASN 95 CO -0.24 0.17 0.00 0.00 -1.65 0.00 0.00 177.43 175.71 3ku6 h ALA 96 N 1.34 0.02 -0.32 -0.83 0.00 -0.82 -1.75 119.26 116.91 3ku6 h ALA 96 Ca 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ku6 h ALA 96 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ku6 h ALA 96 CO -0.24 -0.33 0.08 0.93 0.00 0.00 0.00 179.25 179.69 3ku6 h GLU 97 N -0.25 0.51 -0.38 0.00 5.08 -0.76 -1.94 114.58 116.83 3ku6 h GLU 97 Ca 0.00 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3ku6 h GLU 97 Cb 0.29 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3ku6 h GLU 97 CO 0.00 0.57 0.11 1.25 -1.00 0.00 0.00 179.01 179.94 3ku6 h LEU 98 N 0.35 0.56 -0.19 1.33 5.85 -0.85 -1.29 115.31 121.08 3ku6 h LEU 98 Ca 0.10 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3ku6 h LEU 98 Cb 0.29 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3ku6 h LEU 98 CO 0.00 0.62 0.07 0.25 -0.34 0.00 0.00 178.44 179.05 3ku6 h LEU 99 N 0.47 0.09 -0.78 2.25 5.85 -1.22 -0.05 115.31 121.92 3ku6 h LEU 99 Ca 0.12 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3ku6 h LEU 99 Cb 0.27 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3ku6 h LEU 99 CO -0.00 0.08 0.47 0.58 -0.34 0.00 0.00 178.44 179.23 3ku6 h VAL 100 N 0.17 1.22 -0.18 1.05 2.07 -1.22 -0.22 116.25 119.14 3ku6 h VAL 100 Ca 0.08 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3ku6 h VAL 100 Cb 0.04 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3ku6 h VAL 100 CO -0.07 0.23 0.05 -0.07 0.02 0.00 0.00 177.57 177.73 3ku6 h LEU 101 N 1.07 0.27 -0.39 2.57 3.38 -0.75 -0.23 115.31 121.24 3ku6 h LEU 101 Ca 0.28 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3ku6 h LEU 101 Cb -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3ku6 h LEU 101 CO -0.05 0.42 0.12 0.24 0.09 0.00 0.00 178.44 179.25 3ku6 h MET 102 N 0.11 0.61 -0.12 1.13 2.86 -0.91 -2.20 114.93 116.41 3ku6 h MET 102 Ca 0.06 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.40 3ku6 h MET 102 Cb 0.25 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3ku6 h MET 102 CO -0.00 0.62 -0.61 0.93 1.06 0.00 0.00 176.91 178.92 3ku6 h GLU 103 N 0.49 0.41 -0.49 1.72 4.39 -1.04 -2.21 114.58 117.85 3ku6 h GLU 103 Ca 0.13 -0.28 0.06 0.00 0.34 0.00 0.00 59.36 59.60 3ku6 h GLU 103 Cb 0.27 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 3ku6 h GLU 103 CO -0.00 0.89 0.21 -0.91 -1.16 0.00 0.00 179.01 178.04 3ku6 h ASN 104 N 0.30 0.25 -0.28 1.42 2.35 -0.96 0.32 115.58 118.99 3ku6 h ASN 104 Ca -0.01 0.05 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3ku6 h ASN 104 Cb 1.14 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 39.46 3ku6 h ASN 104 CO 0.10 0.18 -0.07 -0.08 -1.65 0.00 0.00 177.43 175.91 3ku6 h GLU 105 N 0.41 -0.00 -0.52 0.81 4.81 -1.14 -2.03 114.58 116.92 3ku6 h GLU 105 Ca 0.23 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3ku6 h GLU 105 Cb 0.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3ku6 h GLU 105 CO -0.20 -0.00 0.09 0.00 -0.73 0.00 0.00 179.01 178.17 3ku6 h ARG 106 N -0.00 0.81 -0.52 1.92 3.08 -0.95 -2.40 114.38 116.33 3ku6 h ARG 106 Ca 0.14 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3ku6 h ARG 106 Cb 0.21 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3ku6 h ARG 106 CO -0.29 0.75 0.29 1.15 -1.07 0.00 0.00 179.97 180.80 3ku6 h THR 107 N 0.78 1.18 -0.51 2.04 2.02 0.11 0.20 112.91 118.73 3ku6 h THR 107 Ca 0.17 -0.44 -0.11 0.00 0.77 0.00 0.00 66.41 66.79 3ku6 h THR 107 Cb 0.33 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3ku6 h THR 107 CO 0.00 0.19 -0.12 -0.07 0.37 0.00 0.00 175.52 175.89 3ku6 h LEU 108 N 0.69 0.96 -0.74 2.58 3.38 -1.16 -2.62 115.31 118.39 3ku6 h LEU 108 Ca 0.18 -0.32 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 3ku6 h LEU 108 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ku6 h LEU 108 CO -0.03 1.08 -0.61 0.44 0.09 0.00 0.00 178.44 179.41 3ku6 h ASP 109 N 0.85 0.09 -0.12 -0.43 3.32 -1.21 -2.36 116.42 116.56 3ku6 h ASP 109 Ca 0.13 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ku6 h ASP 109 Cb 0.67 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3ku6 h ASP 109 CO 0.05 0.68 0.07 0.15 -1.72 0.00 0.00 179.24 178.47 3ku6 h PHE 110 N 0.06 0.15 -0.69 4.55 3.57 -0.40 -0.22 116.94 123.98 3ku6 h PHE 110 Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3ku6 h PHE 110 Cb 1.09 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3ku6 h PHE 110 CO 0.01 0.12 0.35 0.45 -2.23 0.00 0.00 178.31 177.01 3ku6 h HIS 111 N 0.14 0.95 -0.25 0.41 3.86 -1.39 -0.14 115.15 118.73 3ku6 h HIS 111 Ca 0.04 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3ku6 h HIS 111 Cb 0.01 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 3ku6 h HIS 111 CO -0.06 0.68 0.09 0.22 0.86 0.00 0.00 177.93 179.72 3ku6 h ASP 112 N 0.96 0.36 -0.82 2.45 3.58 -1.10 -0.83 116.42 121.03 3ku6 h ASP 112 Ca 0.24 -0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.56 3ku6 h ASP 112 Cb 0.07 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 40.97 3ku6 h ASP 112 CO -0.03 0.44 0.51 -1.28 -2.88 0.00 0.00 179.24 175.99 3ku6 h SER 113 N 0.25 0.81 -0.50 2.28 0.87 -0.77 -1.21 113.55 115.27 3ku6 h SER 113 Ca 0.08 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 3ku6 h SER 113 Cb 0.20 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3ku6 h SER 113 CO -0.01 0.54 0.09 0.78 -0.53 0.00 0.00 176.83 177.70 3ku6 h ASN 114 N 0.95 0.80 -0.08 6.23 2.35 -0.47 0.69 115.58 126.04 3ku6 h ASN 114 Ca 0.34 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3ku6 h ASN 114 Cb 0.11 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 3ku6 h ASN 114 CO -0.15 0.85 0.04 0.58 -1.65 0.00 0.00 177.43 177.10 3ku6 h VAL 115 N 0.71 1.09 -0.75 2.81 2.07 -0.99 -1.99 116.25 119.20 3ku6 h VAL 115 Ca 0.15 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3ku6 h VAL 115 Cb 0.39 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3ku6 h VAL 115 CO 0.01 0.08 0.49 0.50 0.02 0.00 0.00 177.57 178.67 3ku6 h LYS 116 N 0.03 0.97 -0.48 1.57 3.64 -0.99 -1.18 116.57 120.12 3ku6 h LYS 116 Ca 0.03 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 3ku6 h LYS 116 Cb 0.09 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3ku6 h LYS 116 CO -0.00 0.64 -0.06 -0.91 -2.27 0.00 0.00 179.45 176.84 3ku6 h ASN 117 N 1.00 0.84 -0.36 4.20 2.35 -0.81 -0.52 115.58 122.28 3ku6 h ASN 117 Ca 0.28 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3ku6 h ASN 117 Cb -0.09 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 3ku6 h ASN 117 CO -0.07 0.94 0.09 0.25 -1.65 0.00 0.00 177.43 176.98 3ku6 h LEU 118 N 0.78 0.54 -0.30 1.61 5.85 -1.07 -0.95 115.31 121.77 3ku6 h LEU 118 Ca 0.14 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3ku6 h LEU 118 Cb 0.56 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3ku6 h LEU 118 CO 0.03 0.63 -0.03 0.22 -0.34 0.00 0.00 178.44 178.96 3ku6 h TYR 119 N 0.43 -0.07 -0.35 1.25 3.20 -0.97 -2.29 116.97 118.17 3ku6 h TYR 119 Ca 0.11 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 3ku6 h TYR 119 Cb 0.30 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3ku6 h TYR 119 CO 0.02 -0.08 -0.13 -0.44 -1.64 0.00 0.00 178.16 175.88 3ku6 h ASP 120 N 0.05 0.62 -0.18 -2.11 3.32 -0.96 0.07 116.42 117.23 3ku6 h ASP 120 Ca 0.15 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ku6 h ASP 120 Cb 0.21 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3ku6 h ASP 120 CO -0.27 0.78 0.12 0.50 -1.72 0.00 0.00 179.24 178.64 3ku6 h LYS 121 N 0.57 0.23 0.02 3.56 3.64 -0.93 -0.63 116.57 123.04 3ku6 h LYS 121 Ca 0.10 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ku6 h LYS 121 Cb 0.56 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3ku6 h LYS 121 CO 0.04 0.15 -0.01 0.28 -2.27 0.00 0.00 179.45 177.64 3ku6 h VAL 122 N 0.24 1.12 -0.64 2.00 2.07 -1.16 -2.54 116.25 117.34 3ku6 h VAL 122 Ca 0.07 -0.42 0.13 0.00 0.82 0.00 0.00 66.70 67.30 3ku6 h VAL 122 Cb -0.02 1.41 -0.12 0.00 -1.52 0.00 0.00 31.29 31.03 3ku6 h VAL 122 CO -0.02 0.11 -0.11 -0.09 0.02 0.00 0.00 177.57 177.48 3ku6 h ARG 123 N -0.21 0.03 0.00 1.57 2.43 -0.89 -0.33 114.38 116.98 3ku6 h ARG 123 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ku6 h ARG 123 Cb 0.20 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3ku6 h ARG 123 CO 0.00 0.02 0.00 0.52 -1.51 0.00 0.00 179.97 179.00 3ku6 h MET 124 N 0.03 0.00 0.13 0.20 2.86 -0.99 -0.89 114.93 116.28 3ku6 h MET 124 Ca 0.32 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.66 3ku6 h MET 124 Cb 0.50 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3ku6 h MET 124 CO -0.63 0.00 -1.50 0.37 1.06 0.00 0.00 176.91 176.21 3ku6 h GLN 125 N 0.00 0.28 -0.05 1.72 4.15 -0.87 -3.38 115.11 116.96 3ku6 h GLN 125 Ca 0.00 -0.47 -0.20 0.00 0.77 0.00 0.00 58.65 58.75 3ku6 h GLN 125 Cb 0.55 0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 3ku6 h GLN 125 CO 0.00 1.23 -0.81 -0.07 -1.93 0.00 0.00 178.83 177.25 3ku6 h LEU 126 N -0.21 0.50 0.00 -2.39 3.38 -0.91 -3.44 115.31 112.25 3ku6 h LEU 126 Ca -0.32 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3ku6 h LEU 126 Cb 1.84 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.44 3ku6 h LEU 126 CO 0.08 1.12 0.00 0.54 0.09 0.00 0.00 178.44 180.27 3ku6 n ARG 127 N -3.80 0.00 -0.35 1.13 1.74 -0.35 -2.42 116.66 112.60 3ku6 n ARG 127 Ca -0.05 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.08 3ku6 n ARG 127 Cb 0.76 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.40 3ku6 n ARG 127 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3ku6 n ASP 128 N 1.94 2.93 0.00 0.55 5.75 -1.26 -3.37 116.55 123.08 3ku6 n ASP 128 Ca 0.00 -2.25 0.13 0.00 -0.01 0.00 0.00 54.79 52.66 3ku6 n ASP 128 Cb 0.00 -0.43 0.61 0.00 -1.03 0.00 0.00 41.12 40.27 3ku6 n ASP 128 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3ku6 n ASN 129 N 0.55 0.00 -4.23 -1.12 3.02 -1.02 -4.85 115.26 107.61 3ku6 n ASN 129 Ca 0.15 0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.72 3ku6 n ASN 129 Cb 0.56 -0.37 -0.10 0.00 -0.61 0.00 0.00 39.78 39.25 3ku6 n ASN 129 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ku6 s VAL 130 N -2.75 1.03 -0.13 2.41 -7.23 -1.22 -1.08 120.40 111.44 3ku6 s VAL 130 Ca 0.20 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 3ku6 s VAL 130 Cb 0.17 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 3ku6 s VAL 130 CO 0.43 -0.75 0.26 -0.54 -0.31 0.00 0.00 175.10 174.19 3ku6 s LYS 131 N -3.78 3.99 -0.51 4.82 1.02 0.12 -4.92 119.74 120.48 3ku6 s LYS 131 Ca 0.16 0.06 -0.23 0.00 0.02 0.00 0.00 55.97 55.98 3ku6 s LYS 131 Cb 0.03 -3.33 0.04 0.00 -0.52 0.00 0.00 37.83 34.05 3ku6 s LYS 131 CO -0.00 0.46 0.85 -2.00 -0.92 0.00 0.00 175.35 173.74 3ku6 s GLU 132 N -0.20 3.33 0.28 1.68 2.12 -1.26 -1.38 118.70 123.28 3ku6 s GLU 132 Ca 0.16 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.28 3ku6 s GLU 132 Cb -0.13 -4.02 0.41 0.00 0.26 0.00 0.00 34.13 30.65 3ku6 s GLU 132 CO 0.05 -1.32 1.66 -0.07 -0.54 0.00 0.00 175.26 175.04 3ku6 h LEU 133 N 10.51 0.21 0.00 2.70 3.38 -1.82 -3.47 115.31 126.81 3ku6 h LEU 133 Ca -0.26 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3ku6 h LEU 133 Cb 1.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3ku6 h LEU 133 CO 1.03 0.66 0.00 0.61 0.09 0.00 0.00 178.44 180.83 3ku6 n GLY 134 N -0.03 0.84 0.13 0.83 0.00 -1.26 -4.98 105.19 100.71 3ku6 n GLY 134 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 3ku6 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ku6 n ASN 135 N 0.00 1.81 0.00 1.61 6.94 -1.26 -4.78 115.26 119.58 3ku6 n ASN 135 Ca 0.00 -2.65 0.00 0.00 -0.02 0.00 0.00 54.58 51.91 3ku6 n ASN 135 Cb 0.00 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 3ku6 n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ku6 n GLY 136 N -0.99 0.70 3.77 4.83 0.00 -1.26 -4.57 105.19 107.67 3ku6 n GLY 136 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3ku6 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ku6 s PHE 138 N -1.25 2.73 -0.26 0.00 0.08 -1.26 -2.08 117.98 115.95 3ku6 s PHE 138 Ca 0.25 -1.04 -0.10 0.00 0.12 0.00 0.00 56.93 56.16 3ku6 s PHE 138 Cb -0.12 -1.84 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 3ku6 s PHE 138 CO 0.16 -0.45 0.16 -2.00 -0.10 0.00 0.00 175.22 172.98 3ku6 s GLU 139 N 0.68 3.95 0.30 0.44 2.12 -0.48 -4.90 118.70 120.81 3ku6 s GLU 139 Ca -0.08 -0.33 -0.29 0.00 0.36 0.00 0.00 54.97 54.63 3ku6 s GLU 139 Cb -0.16 -3.54 -0.09 0.00 0.26 0.00 0.00 34.13 30.59 3ku6 s GLU 139 CO 0.02 -0.07 1.09 -0.06 -0.54 0.00 0.00 175.26 175.70 3ku6 s PHE 140 N 1.41 3.54 -2.11 5.30 0.08 -1.26 0.11 117.98 125.05 3ku6 s PHE 140 Ca 0.07 1.70 0.15 0.00 0.12 0.00 0.00 56.93 58.97 3ku6 s PHE 140 Cb -0.15 -3.26 0.60 0.00 -0.57 0.00 0.00 43.02 39.65 3ku6 s PHE 140 CO 0.07 -0.55 1.43 0.66 -0.10 0.00 0.00 175.22 176.74 3ku6 n TYR 141 N 1.02 0.21 -4.15 0.36 4.01 -0.24 -4.86 117.16 113.51 3ku6 n TYR 141 Ca -0.00 -0.11 -0.11 0.00 -0.16 0.00 0.00 57.90 57.52 3ku6 n TYR 141 Cb 0.45 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.39 3ku6 n TYR 141 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3ku6 s HIS 142 N -1.79 0.95 0.02 -0.72 -3.43 -1.26 -4.16 115.29 104.91 3ku6 s HIS 142 Ca 0.25 -1.22 -0.30 0.00 -0.80 0.00 0.00 55.06 52.98 3ku6 s HIS 142 Cb 0.13 -0.40 -0.04 0.00 -1.43 0.00 0.00 32.58 30.84 3ku6 s HIS 142 CO 0.19 -0.69 1.07 0.15 -2.00 0.00 0.00 174.74 173.47 3ku6 s LYS 143 N -4.11 4.50 -0.43 -0.38 1.02 -1.26 -5.01 119.74 114.06 3ku6 s LYS 143 Ca 0.33 1.56 0.02 0.00 0.02 0.00 0.00 55.97 57.91 3ku6 s LYS 143 Cb 0.06 -3.42 0.13 0.00 -0.52 0.00 0.00 37.83 34.07 3ku6 s LYS 143 CO 0.10 -0.15 0.21 0.00 -0.92 0.00 0.00 175.35 174.58 3ku6 n ASP 145 N 3.67 -2.41 -0.33 0.00 5.68 -1.26 -4.50 116.55 117.40 3ku6 n ASP 145 Ca 0.06 -1.09 0.04 0.00 -0.50 0.00 0.00 54.79 53.30 3ku6 n ASP 145 Cb 0.35 -0.97 0.19 0.00 -1.14 0.00 0.00 41.12 39.56 3ku6 n ASP 145 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ku6 h ASP 146 N -2.82 0.83 -0.54 -1.12 3.32 -1.99 0.13 116.42 114.22 3ku6 h ASP 146 Ca -0.39 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 3ku6 h ASP 146 Cb 1.22 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 3ku6 h ASP 146 CO 0.25 0.47 0.31 -0.33 -1.72 0.00 0.00 179.24 178.23 3ku6 h GLU 147 N 0.93 0.75 -0.20 3.56 4.39 -1.99 0.12 114.58 122.14 3ku6 h GLU 147 Ca 0.44 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 3ku6 h GLU 147 Cb 0.37 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3ku6 h GLU 147 CO -0.24 0.56 0.11 0.00 -1.16 0.00 0.00 179.01 178.28 3ku6 h MET 149 N 0.22 0.68 -0.90 0.00 2.86 -0.41 -2.35 114.93 115.03 3ku6 h MET 149 Ca 0.07 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3ku6 h MET 149 Cb 0.07 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 3ku6 h MET 149 CO -0.01 0.45 0.59 -0.91 1.06 0.00 0.00 176.91 178.08 3ku6 h ASN 150 N 0.70 0.92 -0.43 1.22 2.35 -0.64 -2.14 115.58 117.55 3ku6 h ASN 150 Ca 0.22 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 3ku6 h ASN 150 Cb 0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3ku6 h ASN 150 CO -0.09 0.61 0.09 0.77 -1.65 0.00 0.00 177.43 177.16 3ku6 h SER 151 N 1.05 0.73 -0.27 5.81 4.64 -0.85 -2.22 113.55 122.44 3ku6 h SER 151 Ca 0.37 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 3ku6 h SER 151 Cb 0.13 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3ku6 h SER 151 CO -0.13 0.74 0.02 0.58 -0.87 0.00 0.00 176.83 177.17 3ku6 h VAL 152 N 0.74 1.24 0.00 0.95 2.07 -1.17 0.86 116.25 120.95 3ku6 h VAL 152 Ca 0.16 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 3ku6 h VAL 152 Cb 0.32 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3ku6 h VAL 152 CO 0.00 0.27 -0.19 0.11 0.02 0.00 0.00 177.57 177.79 3ku6 h LYS 153 N 0.26 0.00 -0.32 1.57 1.57 -1.10 -2.13 116.57 116.42 3ku6 h LYS 153 Ca 0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3ku6 h LYS 153 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 3ku6 h LYS 153 CO 0.01 0.19 0.01 0.27 -0.57 0.00 0.00 179.45 179.36 3ku6 n ASN 154 N -4.09 3.63 -3.28 0.86 6.94 -0.86 -4.99 115.26 113.47 3ku6 n ASN 154 Ca -0.02 -3.21 -0.22 0.00 -0.02 0.00 0.00 54.58 51.11 3ku6 n ASN 154 Cb 0.26 -0.58 0.07 0.00 -2.36 0.00 0.00 39.78 37.17 3ku6 n ASN 154 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ku6 n GLY 155 N -0.64 -0.41 1.33 4.83 0.00 -0.80 -4.93 105.19 104.57 3ku6 n GLY 155 Ca 0.26 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.45 3ku6 n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ku6 n THR 156 N -4.76 1.34 -2.08 2.61 -2.24 0.29 -5.01 114.28 104.43 3ku6 n THR 156 Ca 0.00 -2.50 -0.41 0.00 -2.27 0.00 0.00 64.05 58.86 3ku6 n THR 156 Cb 0.56 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 3ku6 n THR 156 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ku6 s TYR 157 N -2.15 3.10 -1.06 4.78 5.04 -1.09 -4.79 117.35 121.16 3ku6 s TYR 157 Ca 0.37 1.08 -0.15 0.00 -2.44 0.00 0.00 57.07 55.94 3ku6 s TYR 157 Cb 0.38 -3.75 0.18 0.00 0.35 0.00 0.00 41.96 39.11 3ku6 s TYR 157 CO -0.09 -2.42 1.21 -0.51 -1.34 0.00 0.00 175.55 172.40 3ku6 s ASP 158 N 0.36 6.93 0.14 4.32 -0.00 -1.26 -4.90 116.67 122.26 3ku6 s ASP 158 Ca 0.59 -2.74 -0.27 0.00 -0.00 0.00 0.00 52.55 50.12 3ku6 s ASP 158 Cb -0.40 -2.35 -0.03 0.00 -0.00 0.00 0.00 42.92 40.14 3ku6 s ASP 158 CO 0.42 -0.76 1.60 0.22 -0.00 0.00 0.00 175.17 176.64 3ku6 h TYR 159 N 7.69 -1.00 -0.85 4.23 3.20 -1.92 -2.29 116.97 126.03 3ku6 h TYR 159 Ca 0.22 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.24 3ku6 h TYR 159 Cb 0.94 0.46 -0.06 0.00 1.54 0.00 0.00 36.73 39.61 3ku6 h TYR 159 CO 1.07 -0.43 0.55 -1.35 -1.64 0.00 0.00 178.16 176.36 3ku6 h PRO 160 N -0.42 0.76 -0.80 1.82 0.11 -1.98 -0.57 132.00 130.92 3ku6 h PRO 160 Ca 0.09 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.23 3ku6 h PRO 160 Cb 0.58 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 31.45 3ku6 h PRO 160 CO -0.38 0.50 0.47 -0.22 -0.21 0.00 0.00 178.00 178.16 3ku6 h LYS 161 N 0.78 0.81 -0.01 1.05 3.64 -1.83 -2.72 116.57 118.28 3ku6 h LYS 161 Ca 0.40 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3ku6 h LYS 161 Cb 0.49 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3ku6 h LYS 161 CO -0.17 0.54 -0.47 0.66 -2.27 0.00 0.00 179.45 177.73 3ku6 n TYR 162 N -4.71 0.00 -0.19 1.91 4.01 -0.97 -4.65 117.16 112.57 3ku6 n TYR 162 Ca 0.12 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.84 3ku6 n TYR 162 Cb 0.21 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.29 3ku6 n TYR 162 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ku6 h GLU 163 N 2.13 -0.03 -0.27 -0.72 4.81 -0.78 -0.70 114.58 119.01 3ku6 h GLU 163 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 3ku6 h GLU 163 Cb 0.69 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3ku6 h GLU 163 CO 0.00 -0.02 -0.05 0.93 -0.73 0.00 0.00 179.01 179.14 3ku6 h GLU 164 N -0.04 0.51 -0.80 1.92 3.07 -1.83 0.91 114.58 118.32 3ku6 h GLU 164 Ca 0.27 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 3ku6 h GLU 164 Cb 0.46 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.29 3ku6 h GLU 164 CO -0.61 0.71 0.43 1.49 -1.40 0.00 0.00 179.01 179.62 3ku6 h GLU 165 N 0.27 1.12 0.01 2.33 4.81 -1.80 -2.00 114.58 119.31 3ku6 h GLU 165 Ca 0.07 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3ku6 h GLU 165 Cb 0.51 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3ku6 h GLU 165 CO 0.02 0.83 -0.00 0.77 -0.73 0.00 0.00 179.01 179.90 3ku6 h SER 166 N 1.12 -0.01 -0.92 1.04 0.02 -0.94 -2.03 113.55 111.84 3ku6 h SER 166 Ca 0.28 -0.55 0.08 0.00 -0.84 0.00 0.00 61.79 60.76 3ku6 h SER 166 Cb 0.04 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 3ku6 h SER 166 CO -0.04 0.55 0.59 0.07 -1.14 0.00 0.00 176.83 176.86 3ku6 h LYS 167 N -0.57 0.95 -0.19 3.45 2.10 -0.79 0.49 116.57 122.01 3ku6 h LYS 167 Ca -0.00 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.56 3ku6 h LYS 167 Cb 0.56 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 3ku6 h LYS 167 CO 0.00 0.63 0.01 -0.07 -2.00 0.00 0.00 179.45 178.02 3ku6 h LEU 168 N 0.98 0.32 -0.42 7.07 3.38 -1.38 -1.11 115.31 124.15 3ku6 h LEU 168 Ca 0.41 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3ku6 h LEU 168 Cb 0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ku6 h LEU 168 CO -0.17 0.54 0.06 0.78 0.09 0.00 0.00 178.44 179.74 3ku6 h ASN 169 N 0.09 0.67 0.06 -0.43 2.35 -0.89 -3.12 115.58 114.31 3ku6 h ASN 169 Ca 0.05 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.48 3ku6 h ASN 169 Cb 0.37 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3ku6 h ASN 169 CO 0.01 0.77 -0.19 -0.09 -1.65 0.00 0.00 177.43 176.28 3ku6 h ARG 170 N 0.55 0.25 -1.20 0.81 2.43 -0.01 -3.18 114.38 114.03 3ku6 h ARG 170 Ca 0.13 -0.07 -0.45 0.00 -0.81 0.00 0.00 59.98 58.78 3ku6 h ARG 170 Cb 0.39 -0.03 -0.21 0.00 -0.42 0.00 0.00 29.97 29.70 3ku6 h ARG 170 CO 0.01 0.44 0.58 0.09 -1.51 0.00 0.00 179.97 179.57 3ku6 n ASN 171 N -4.22 5.94 0.00 -3.80 4.13 -0.42 -5.07 115.26 111.82 3ku6 n ASN 171 Ca -0.01 -3.31 0.00 0.00 1.68 0.00 0.00 54.58 52.94 3ku6 n ASN 171 Cb 0.31 -0.94 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 3ku6 n ASN 171 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70