#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ku5 h LEU 2 N 0.00 0.28 -1.15 0.99 5.85 -1.94 -2.27 115.31 117.07 3ku5 h LEU 2 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ku5 h LEU 2 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3ku5 h LEU 2 CO 0.00 0.19 -0.31 0.49 -0.34 0.00 0.00 178.44 178.48 3ku5 n PHE 3 N -4.49 0.00 -0.97 1.25 3.72 -1.26 -4.99 117.46 110.71 3ku5 n PHE 3 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3ku5 n PHE 3 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3ku5 n PHE 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ku5 n GLY 4 N 1.26 0.55 0.05 1.37 0.00 -0.86 -4.91 105.19 102.65 3ku5 n GLY 4 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 3ku5 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ku5 n ALA 5 N 1.00 0.38 -1.95 4.61 0.00 -1.26 -1.57 120.51 121.72 3ku5 n ALA 5 Ca 0.00 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 3ku5 n ALA 5 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 3ku5 n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ku5 s ILE 6 N -1.93 2.81 -1.55 0.00 1.01 -1.26 -1.07 121.20 119.21 3ku5 s ILE 6 Ca -0.13 0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 3ku5 s ILE 6 Cb 0.02 -3.32 0.14 0.00 0.01 0.00 0.00 42.46 39.31 3ku5 s ILE 6 CO 0.19 0.03 0.66 0.00 0.00 0.00 0.00 174.94 175.81 3ku5 n ALA 7 N 4.49 -1.19 -2.50 9.38 0.00 -1.13 -4.15 120.51 125.41 3ku5 n ALA 7 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3ku5 n ALA 7 Cb 0.39 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.76 3ku5 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ku5 n GLY 8 N -1.25 3.06 0.19 0.00 0.00 -0.24 -4.71 105.19 102.24 3ku5 n GLY 8 Ca 0.06 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.84 3ku5 n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3ku5 h PHE 9 N 0.00 0.00 -2.81 1.61 -5.15 -1.27 -3.24 116.94 106.08 3ku5 h PHE 9 Ca 0.00 0.00 -0.69 0.00 -0.20 0.00 0.00 57.97 57.08 3ku5 h PHE 9 Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 35.95 35.99 3ku5 h PHE 9 CO 0.00 0.38 0.36 0.42 -2.00 0.00 0.00 178.31 177.47 3ku5 s ILE 10 N -3.94 4.73 0.34 0.88 1.01 -0.98 -4.21 121.20 119.02 3ku5 s ILE 10 Ca -0.02 -1.04 0.13 0.00 0.00 0.00 0.00 60.65 59.72 3ku5 s ILE 10 Cb 0.13 -4.60 0.08 0.00 0.01 0.00 0.00 42.46 38.08 3ku5 s ILE 10 CO 0.70 -1.28 1.79 -0.33 0.00 0.00 0.00 174.94 175.82 3ku5 h GLU 11 N 9.12 0.00 -4.08 2.79 5.08 -1.80 -2.99 114.58 122.70 3ku5 h GLU 11 Ca -0.18 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 3ku5 h GLU 11 Cb 1.07 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.20 3ku5 h GLU 11 CO 1.10 0.41 -0.33 0.20 -1.00 0.00 0.00 179.01 179.39 3ku5 s GLY 12 N -4.34 0.99 0.66 -3.84 0.00 -1.26 -4.36 107.32 95.17 3ku5 s GLY 12 Ca -0.02 -1.27 -0.02 0.00 0.00 0.00 0.00 44.72 43.40 3ku5 s GLY 12 CO 0.73 -0.98 0.93 -0.32 0.00 0.00 0.00 173.10 173.45 3ku5 s GLY 13 N -3.10 1.77 -0.32 0.20 0.00 -1.26 -4.93 107.32 99.68 3ku5 s GLY 13 Ca 0.30 -1.32 -0.03 0.00 0.00 0.00 0.00 44.72 43.67 3ku5 s GLY 13 CO 0.11 -0.90 0.05 -0.98 0.00 0.00 0.00 173.10 171.38 3ku5 s TRP 14 N -3.05 3.31 0.42 1.90 0.51 -1.26 -4.94 118.94 115.83 3ku5 s TRP 14 Ca 0.61 -1.88 0.10 0.00 -2.12 0.00 0.00 56.10 52.81 3ku5 s TRP 14 Cb -0.09 -2.31 0.90 0.00 -0.81 0.00 0.00 33.47 31.16 3ku5 s TRP 14 CO 0.42 -0.82 2.01 1.96 -0.51 0.00 0.00 176.95 180.02 3ku5 h GLN 15 N 8.04 0.30 0.00 4.98 1.08 -2.03 -2.79 115.11 124.69 3ku5 h GLN 15 Ca -0.20 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 3ku5 h GLN 15 Cb 1.06 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 3ku5 h GLN 15 CO 0.57 0.30 0.00 0.41 -0.95 0.00 0.00 178.83 179.16 3ku5 n GLY 16 N -1.20 -0.99 3.21 3.46 0.00 -1.26 -4.30 105.19 104.12 3ku5 n GLY 16 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3ku5 n GLY 16 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ku5 s MET 17 N -2.53 3.09 0.00 1.61 -2.45 -1.05 -4.74 119.30 113.23 3ku5 s MET 17 Ca 0.22 -2.51 0.23 0.00 -1.25 0.00 0.00 55.69 52.37 3ku5 s MET 17 Cb 0.15 -4.08 0.19 0.00 1.25 0.00 0.00 34.83 32.33 3ku5 s MET 17 CO 0.33 -1.23 1.19 1.33 1.05 0.00 0.00 175.02 177.69 3ku5 n VAL 18 N 3.70 0.00 -0.28 10.11 0.24 -1.26 -4.39 118.33 126.44 3ku5 n VAL 18 Ca 0.11 -0.02 0.09 0.00 -2.04 0.00 0.00 64.34 62.48 3ku5 n VAL 18 Cb 0.42 0.62 0.25 0.00 -1.47 0.00 0.00 33.84 33.67 3ku5 n VAL 18 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3ku5 n ASP 19 N -1.38 3.53 -3.63 -1.34 5.75 -1.26 -5.01 116.55 113.21 3ku5 n ASP 19 Ca 0.05 -2.00 0.01 0.00 -0.01 0.00 0.00 54.79 52.85 3ku5 n ASP 19 Cb 0.34 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 40.04 3ku5 n ASP 19 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3ku5 s GLY 20 N -1.00 -0.40 0.07 6.12 0.00 -1.26 -4.86 107.32 105.99 3ku5 s GLY 20 Ca 0.38 0.68 -0.08 0.00 0.00 0.00 0.00 44.72 45.71 3ku5 s GLY 20 CO 0.26 0.13 1.12 1.49 0.00 0.00 0.00 173.10 176.10 3ku5 h TRP 21 N 2.00 0.65 -3.80 1.90 6.55 -1.90 -3.47 115.95 117.88 3ku5 h TRP 21 Ca -0.30 -0.46 -0.32 0.00 0.95 0.00 0.00 58.89 58.77 3ku5 h TRP 21 Cb 1.20 -0.03 -0.19 0.00 -0.86 0.00 0.00 29.16 29.28 3ku5 h TRP 21 CO 0.32 1.35 -0.74 0.71 -1.05 0.00 0.00 178.44 179.03 3ku5 s TYR 22 N -2.72 1.01 -2.05 0.49 2.02 -1.26 -5.08 117.35 109.75 3ku5 s TYR 22 Ca -0.06 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.03 3ku5 s TYR 22 Cb 0.06 -0.56 0.00 0.00 -0.40 0.00 0.00 41.96 41.06 3ku5 s TYR 22 CO 0.90 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 175.28 3ku5 n GLY 23 N 0.77 -0.69 3.32 0.71 0.00 -1.26 -0.25 105.19 107.79 3ku5 n GLY 23 Ca -0.18 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 3ku5 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ku5 s TYR 24 N -4.00 1.82 -0.08 1.61 2.02 0.11 -4.84 117.35 113.99 3ku5 s TYR 24 Ca 0.00 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 3ku5 s TYR 24 Cb 0.00 -0.94 0.02 0.00 -0.40 0.00 0.00 41.96 40.64 3ku5 s TYR 24 CO 0.00 0.29 -0.06 -1.58 -1.57 0.00 0.00 175.55 172.63 3ku5 s HIS 25 N -1.71 1.10 0.21 2.71 5.65 -1.26 -1.33 115.29 120.66 3ku5 s HIS 25 Ca 0.12 -0.43 0.08 0.00 0.25 0.00 0.00 55.06 55.09 3ku5 s HIS 25 Cb -0.07 -0.96 -0.04 0.00 -1.18 0.00 0.00 32.58 30.33 3ku5 s HIS 25 CO 0.06 -0.34 -0.02 -3.38 -0.65 0.00 0.00 174.74 170.40 3ku5 s HIS 26 N 1.37 2.74 -0.11 3.88 -3.43 -0.96 -4.97 115.29 113.82 3ku5 s HIS 26 Ca -0.03 -0.19 -0.04 0.00 -0.80 0.00 0.00 55.06 54.00 3ku5 s HIS 26 Cb -0.14 -1.29 0.06 0.00 -1.43 0.00 0.00 32.58 29.78 3ku5 s HIS 26 CO -0.03 0.55 0.22 0.45 -2.00 0.00 0.00 174.74 173.93 3ku5 s SER 27 N -3.20 0.42 0.00 7.38 0.15 -1.26 -2.61 113.70 114.59 3ku5 s SER 27 Ca 0.28 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.41 3ku5 s SER 27 Cb -0.08 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 3ku5 s SER 27 CO 0.18 -0.23 0.00 -0.46 1.20 0.00 0.00 173.24 173.93 3ku5 n ASN 28 N 5.19 0.00 0.12 5.45 0.23 0.12 -5.01 115.26 121.36 3ku5 n ASN 28 Ca -0.08 -0.66 0.01 0.00 -0.53 0.00 0.00 54.58 53.32 3ku5 n ASN 28 Cb 0.50 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.52 3ku5 n ASN 28 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3ku5 h ASP 29 N 0.00 0.20 1.75 0.53 5.19 -2.00 -2.96 116.42 119.13 3ku5 h ASP 29 Ca 0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3ku5 h ASP 29 Cb 0.00 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.46 3ku5 h ASP 29 CO 0.00 0.47 0.00 1.56 -3.12 0.00 0.00 179.24 178.15 3ku5 h GLN 30 N 0.18 0.00 0.00 3.56 4.20 -1.96 -3.49 115.11 117.60 3ku5 h GLN 30 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3ku5 h GLN 30 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3ku5 h GLN 30 CO 0.04 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.61 3ku5 n GLY 31 N 1.04 0.87 3.28 3.46 0.00 -1.12 -5.14 105.19 107.58 3ku5 n GLY 31 Ca 0.04 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 3ku5 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ku5 s SER 32 N -4.00 -0.00 0.00 1.61 1.04 -1.26 -0.70 113.70 110.39 3ku5 s SER 32 Ca 0.00 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.81 3ku5 s SER 32 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3ku5 s SER 32 CO 0.00 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3ku5 n GLY 33 N -0.15 0.54 3.84 7.32 0.00 -1.07 -4.99 105.19 110.67 3ku5 n GLY 33 Ca -0.13 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 3ku5 n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ku5 s TYR 34 N -2.00 3.31 -0.22 1.61 2.02 -1.26 -2.27 117.35 118.55 3ku5 s TYR 34 Ca 0.00 0.12 -0.11 0.00 -0.37 0.00 0.00 57.07 56.72 3ku5 s TYR 34 Cb 0.00 -1.66 0.08 0.00 -0.40 0.00 0.00 41.96 39.98 3ku5 s TYR 34 CO 0.00 0.54 0.51 0.00 -1.57 0.00 0.00 175.55 175.03 3ku5 s ALA 35 N -1.49 -1.39 0.44 3.71 0.00 -0.44 -5.00 121.76 117.58 3ku5 s ALA 35 Ca 0.32 1.85 -0.23 0.00 0.00 0.00 0.00 51.96 53.90 3ku5 s ALA 35 Cb -0.12 -1.22 -0.08 0.00 0.00 0.00 0.00 23.12 21.70 3ku5 s ALA 35 CO 0.25 -0.45 1.11 0.00 0.00 0.00 0.00 175.76 176.66 3ku5 s ALA 36 N 1.83 3.00 -0.48 0.00 0.00 -1.26 0.07 121.76 124.92 3ku5 s ALA 36 Ca -0.08 0.82 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 3ku5 s ALA 36 Cb -0.08 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.74 3ku5 s ALA 36 CO -0.15 -0.46 0.91 0.34 0.00 0.00 0.00 175.76 176.39 3ku5 s ASP 37 N -1.50 6.45 0.14 0.00 2.15 0.65 -4.82 116.67 119.74 3ku5 s ASP 37 Ca 0.62 -0.01 -0.11 0.00 0.43 0.00 0.00 52.55 53.48 3ku5 s ASP 37 Cb -0.25 -2.44 -0.05 0.00 -0.30 0.00 0.00 42.92 39.88 3ku5 s ASP 37 CO 0.30 -1.07 1.45 0.11 -0.17 0.00 0.00 175.17 175.80 3ku5 h LYS 38 N 9.12 0.91 0.32 4.34 1.79 -1.94 -2.81 116.57 128.30 3ku5 h LYS 38 Ca -0.25 -0.52 -0.02 0.00 -2.18 0.00 0.00 60.65 57.69 3ku5 h LYS 38 Cb 1.08 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3ku5 h LYS 38 CO 1.03 1.16 -0.16 0.93 -1.08 0.00 0.00 179.45 181.34 3ku5 h GLU 39 N 0.72 -0.42 -0.13 3.15 3.07 -1.97 -0.95 114.58 118.05 3ku5 h GLU 39 Ca 0.04 0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.79 3ku5 h GLU 39 Cb 1.06 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 3ku5 h GLU 39 CO 0.11 -0.28 -0.52 0.66 -1.40 0.00 0.00 179.01 177.58 3ku5 h SER 40 N -0.44 0.38 -0.14 1.42 4.64 -1.96 -2.17 113.55 115.29 3ku5 h SER 40 Ca -0.04 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3ku5 h SER 40 Cb 0.33 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3ku5 h SER 40 CO 0.07 0.83 0.07 0.74 -0.87 0.00 0.00 176.83 177.67 3ku5 h THR 41 N 0.27 1.11 -0.56 2.95 2.02 -1.43 -2.28 112.91 114.99 3ku5 h THR 41 Ca 0.01 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 3ku5 h THR 41 Cb 1.00 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3ku5 h THR 41 CO 0.09 0.10 0.24 -0.61 0.37 0.00 0.00 175.52 175.70 3ku5 h GLN 42 N 0.11 0.83 -0.87 6.66 5.75 -1.06 -0.32 115.11 126.21 3ku5 h GLN 42 Ca 0.05 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 3ku5 h GLN 42 Cb 0.09 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 3ku5 h GLN 42 CO -0.01 0.70 0.52 -0.22 -2.65 0.00 0.00 178.83 177.17 3ku5 h LYS 43 N 0.76 1.18 -0.26 1.69 3.11 -1.38 -0.69 116.57 120.99 3ku5 h LYS 43 Ca 0.19 -0.11 -0.18 0.00 -2.81 0.00 0.00 60.65 57.74 3ku5 h LYS 43 Cb 0.17 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.16 3ku5 h LYS 43 CO -0.02 0.83 -0.53 0.00 -2.81 0.00 0.00 179.45 176.91 3ku5 h ALA 44 N 1.37 0.41 -0.81 5.00 0.00 -1.17 -2.59 119.26 121.47 3ku5 h ALA 44 Ca 0.31 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3ku5 h ALA 44 Cb -0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3ku5 h ALA 44 CO -0.06 0.61 0.50 0.35 0.00 0.00 0.00 179.25 180.66 3ku5 h PHE 45 N 0.57 0.94 -0.34 0.00 3.57 -0.73 0.41 116.94 121.36 3ku5 h PHE 45 Ca 0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3ku5 h PHE 45 Cb 1.14 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3ku5 h PHE 45 CO 0.08 0.49 0.05 -0.44 -2.23 0.00 0.00 178.31 176.26 3ku5 h ASP 46 N 0.94 0.54 -0.32 0.41 3.32 -1.09 -0.38 116.42 119.84 3ku5 h ASP 46 Ca 0.35 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ku5 h ASP 46 Cb 0.12 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3ku5 h ASP 46 CO -0.15 0.67 0.20 1.23 -1.72 0.00 0.00 179.24 179.46 3ku5 h GLY 47 N 0.39 0.46 1.01 2.75 0.00 -1.24 -1.40 103.07 105.04 3ku5 h GLY 47 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 3ku5 h GLY 47 CO 0.01 0.19 0.12 -2.22 0.00 0.00 0.00 176.54 174.63 3ku5 h ILE 48 N 0.42 1.25 -0.84 2.60 1.08 -0.80 0.11 117.51 121.33 3ku5 h ILE 48 Ca 0.12 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 3ku5 h ILE 48 Cb 0.00 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 3ku5 h ILE 48 CO -0.02 0.34 0.49 0.74 -0.69 0.00 0.00 178.15 179.00 3ku5 h THR 49 N 0.81 1.24 -0.60 -0.27 2.02 -1.02 -2.05 112.91 113.04 3ku5 h THR 49 Ca 0.17 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3ku5 h THR 49 Cb 0.37 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3ku5 h THR 49 CO 0.01 0.26 0.33 -1.13 0.37 0.00 0.00 175.52 175.35 3ku5 h ASN 50 N 1.16 0.76 -0.10 4.18 -0.73 -0.80 -2.94 115.58 117.10 3ku5 h ASN 50 Ca 0.30 -0.10 0.03 0.00 1.87 0.00 0.00 56.30 58.40 3ku5 h ASN 50 Cb -0.02 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.35 3ku5 h ASN 50 CO -0.05 0.64 -0.09 0.50 -0.37 0.00 0.00 177.43 178.06 3ku5 h LYS 51 N 0.82 -0.10 -0.50 6.67 3.64 -0.26 -0.64 116.57 126.20 3ku5 h LYS 51 Ca 0.21 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3ku5 h LYS 51 Cb 0.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3ku5 h LYS 51 CO -0.03 -0.07 0.17 -0.39 -2.27 0.00 0.00 179.45 176.87 3ku5 h VAL 52 N -0.10 1.22 -0.39 2.00 -1.51 -1.41 -1.00 116.25 115.07 3ku5 h VAL 52 Ca 0.07 -0.73 0.03 0.00 -1.23 0.00 0.00 66.70 64.84 3ku5 h VAL 52 Cb 0.20 0.75 -0.03 0.00 -2.13 0.00 0.00 31.29 30.08 3ku5 h VAL 52 CO -0.16 0.27 0.20 0.78 -1.23 0.00 0.00 177.57 177.43 3ku5 h ASN 53 N 0.68 0.29 -0.42 4.19 2.35 -1.39 -1.93 115.58 119.36 3ku5 h ASN 53 Ca 0.16 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.98 3ku5 h ASN 53 Cb 0.24 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 3ku5 h ASN 53 CO -0.01 0.21 0.15 0.28 -1.65 0.00 0.00 177.43 176.41 3ku5 h SER 54 N 0.40 0.15 -0.40 5.81 0.02 -0.60 0.15 113.55 119.09 3ku5 h SER 54 Ca 0.16 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3ku5 h SER 54 Cb 0.07 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3ku5 h SER 54 CO -0.11 0.12 0.05 -0.37 -1.14 0.00 0.00 176.83 175.38 3ku5 h VAL 55 N 0.31 1.25 0.36 2.27 -1.51 -0.93 -1.75 116.25 116.24 3ku5 h VAL 55 Ca 0.20 -0.91 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 3ku5 h VAL 55 Cb 0.18 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3ku5 h VAL 55 CO -0.20 0.31 -0.17 0.40 -1.23 0.00 0.00 177.57 176.68 3ku5 h ILE 56 N 0.51 0.66 -0.28 7.19 2.04 -1.21 -3.24 117.51 123.18 3ku5 h ILE 56 Ca 0.12 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 3ku5 h ILE 56 Cb 0.40 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3ku5 h ILE 56 CO 0.01 0.01 0.03 -0.33 0.00 0.00 0.00 178.15 177.87 3ku5 h GLU 57 N -0.50 0.40 0.00 2.37 5.08 -0.52 -1.82 114.58 119.59 3ku5 h GLU 57 Ca -0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3ku5 h GLU 57 Cb 0.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3ku5 h GLU 57 CO 0.08 0.41 0.00 0.87 -1.00 0.00 0.00 179.01 179.37 3ku5 h LYS 58 N 0.40 0.00 -0.60 2.33 6.56 -1.38 -2.98 116.57 120.89 3ku5 h LYS 58 Ca 0.09 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.33 3ku5 h LYS 58 Cb 0.22 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 31.67 3ku5 h LYS 58 CO 0.00 0.00 0.10 -1.33 -2.06 0.00 0.00 179.45 176.16 3ku5 n MET 59 N -3.03 2.21 0.01 3.15 2.81 -0.69 -4.21 117.12 117.36 3ku5 n MET 59 Ca 0.02 -3.28 0.11 0.00 -1.81 0.00 0.00 57.70 52.74 3ku5 n MET 59 Cb 0.37 -2.00 -0.00 0.00 -0.71 0.00 0.00 33.22 30.88 3ku5 n MET 59 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3ku5 n ASN 60 N -1.06 0.69 -3.09 7.83 3.02 -1.13 -4.39 115.26 117.14 3ku5 n ASN 60 Ca 0.44 -0.51 -0.35 0.00 -0.03 0.00 0.00 54.58 54.12 3ku5 n ASN 60 Cb 1.12 0.86 -0.02 0.00 -0.61 0.00 0.00 39.78 41.13 3ku5 n ASN 60 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ku5 n THR 61 N -1.71 4.51 -4.35 3.41 -2.24 -1.26 -4.98 114.28 107.65 3ku5 n THR 61 Ca 0.03 -4.04 -0.31 0.00 -2.27 0.00 0.00 64.05 57.46 3ku5 n THR 61 Cb 0.39 -1.76 -0.10 0.00 -2.10 0.00 0.00 70.33 66.75 3ku5 n THR 61 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3ku5 s GLN 62 N -2.00 2.44 0.46 -0.78 0.74 -1.26 -5.10 119.66 114.16 3ku5 s GLN 62 Ca 0.54 -0.82 -0.25 0.00 0.05 0.00 0.00 55.36 54.89 3ku5 s GLN 62 Cb 0.28 -2.46 -0.08 0.00 1.10 0.00 0.00 33.01 31.86 3ku5 s GLN 62 CO -0.17 0.57 1.36 0.12 -0.55 0.00 0.00 175.29 176.61 3ku5 s PHE 63 N -1.10 2.56 -0.06 1.67 5.36 -1.26 -5.04 117.98 120.10 3ku5 s PHE 63 Ca 0.20 1.35 0.04 0.00 -0.96 0.00 0.00 56.93 57.56 3ku5 s PHE 63 Cb -0.11 -3.78 -0.00 0.00 -0.34 0.00 0.00 43.02 38.79 3ku5 s PHE 63 CO 0.11 -2.57 -0.19 -1.21 -1.46 0.00 0.00 175.22 169.89 3ku5 s GLU 64 N -2.50 2.19 0.13 10.12 2.02 -1.26 -4.99 118.70 124.40 3ku5 s GLU 64 Ca 0.62 -0.69 -0.30 0.00 0.02 0.00 0.00 54.97 54.62 3ku5 s GLU 64 Cb -0.40 -1.81 -0.07 0.00 0.10 0.00 0.00 34.13 31.96 3ku5 s GLU 64 CO 0.51 0.22 1.07 0.00 0.02 0.00 0.00 175.26 177.08 3ku5 s ALA 65 N 0.17 3.33 -0.15 5.21 0.00 -1.26 -5.05 121.76 124.01 3ku5 s ALA 65 Ca -0.09 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 3ku5 s ALA 65 Cb -0.14 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 3ku5 s ALA 65 CO 0.04 -0.20 -0.09 0.08 0.00 0.00 0.00 175.76 175.59 3ku5 s VAL 66 N 0.11 3.38 -0.23 0.00 1.01 -1.26 -5.09 120.40 118.32 3ku5 s VAL 66 Ca 0.50 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 3ku5 s VAL 66 Cb -0.27 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 3ku5 s VAL 66 CO 0.32 0.50 1.56 -0.83 0.00 0.00 0.00 175.10 176.65 3ku5 s GLY 67 N 0.48 1.25 0.11 4.51 0.00 -1.26 -5.01 107.32 107.41 3ku5 s GLY 67 Ca -0.07 0.41 0.05 0.00 0.00 0.00 0.00 44.72 45.12 3ku5 s GLY 67 CO 0.04 2.93 -0.13 0.54 0.00 0.00 0.00 173.10 176.48 3ku5 s LYS 68 N 4.58 0.97 0.18 2.90 1.02 -1.26 -5.17 119.74 122.96 3ku5 s LYS 68 Ca 0.69 -1.21 0.09 0.00 0.02 0.00 0.00 55.97 55.56 3ku5 s LYS 68 Cb -0.23 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.24 3ku5 s LYS 68 CO 0.28 0.15 -0.20 -1.21 -0.92 0.00 0.00 175.35 173.45 3ku5 s GLU 69 N -2.68 1.36 0.02 1.68 2.02 -1.26 -5.16 118.70 114.69 3ku5 s GLU 69 Ca 0.08 -1.47 0.01 0.00 0.02 0.00 0.00 54.97 53.61 3ku5 s GLU 69 Cb -0.04 -1.48 -0.02 0.00 0.10 0.00 0.00 34.13 32.69 3ku5 s GLU 69 CO 0.02 0.30 -0.04 -0.06 0.02 0.00 0.00 175.26 175.50 3ku5 s PHE 70 N -2.01 0.35 0.88 1.61 0.08 -1.26 -5.09 117.98 112.54 3ku5 s PHE 70 Ca 0.18 -0.45 -0.12 0.00 0.12 0.00 0.00 56.93 56.66 3ku5 s PHE 70 Cb -0.06 -0.23 0.12 0.00 -0.57 0.00 0.00 43.02 42.28 3ku5 s PHE 70 CO 0.08 -0.14 1.16 -1.54 -0.10 0.00 0.00 175.22 174.68 3ku5 s SER 71 N -1.29 3.84 0.00 1.36 1.04 -1.26 -4.92 113.70 112.47 3ku5 s SER 71 Ca -0.12 0.88 0.15 0.00 0.48 0.00 0.00 55.95 57.34 3ku5 s SER 71 Cb -0.09 -1.41 0.70 0.00 0.10 0.00 0.00 66.02 65.32 3ku5 s SER 71 CO -0.00 -2.34 1.46 -0.46 0.98 0.00 0.00 173.24 172.88 3ku5 n ASN 72 N -3.61 0.00 -1.25 7.02 6.94 -1.26 -1.92 115.26 121.18 3ku5 n ASN 72 Ca 0.07 0.31 0.09 0.00 -0.02 0.00 0.00 54.58 55.03 3ku5 n ASN 72 Cb 0.60 -0.41 0.30 0.00 -2.36 0.00 0.00 39.78 37.91 3ku5 n ASN 72 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3ku5 n LEU 73 N -1.41 4.16 -2.19 -4.53 4.32 -1.26 -4.44 117.00 111.65 3ku5 n LEU 73 Ca 0.05 -2.39 -0.18 0.00 -0.02 0.00 0.00 56.01 53.48 3ku5 n LEU 73 Cb 0.15 -0.49 0.03 0.00 -1.62 0.00 0.00 43.42 41.49 3ku5 n LEU 73 CO 0.13 0.80 0.14 -0.62 -1.22 0.00 0.00 177.39 176.61 3ku5 n GLU 74 N 0.81 3.11 0.04 3.23 1.02 -0.81 -4.86 120.64 123.18 3ku5 n GLU 74 Ca 0.22 -3.98 -0.02 0.00 -0.02 0.00 0.00 57.16 53.35 3ku5 n GLU 74 Cb 0.76 -2.09 0.24 0.00 -0.02 0.00 0.00 31.44 30.32 3ku5 n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ku5 h ARG 75 N 2.26 0.42 -0.33 3.49 2.47 -1.78 -0.39 114.38 120.52 3ku5 h ARG 75 Ca 0.24 -0.15 -0.08 0.00 -1.26 0.00 0.00 59.98 58.73 3ku5 h ARG 75 Cb 1.47 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.75 3ku5 h ARG 75 CO 0.60 0.63 -0.10 0.00 0.56 0.00 0.00 179.97 181.66 3ku5 h ARG 76 N 0.38 0.65 -0.66 0.04 3.08 -1.96 -0.96 114.38 114.94 3ku5 h ARG 76 Ca 0.06 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3ku5 h ARG 76 Cb 0.62 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3ku5 h ARG 76 CO 0.04 0.84 0.40 1.25 -1.07 0.00 0.00 179.97 181.43 3ku5 h LEU 77 N 0.43 0.79 -0.67 3.04 5.85 -1.90 -0.18 115.31 122.68 3ku5 h LEU 77 Ca 0.08 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3ku5 h LEU 77 Cb 0.61 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3ku5 h LEU 77 CO 0.04 0.62 0.41 -0.08 -0.34 0.00 0.00 178.44 179.09 3ku5 h GLU 78 N 0.90 0.78 -0.48 1.25 4.81 -0.94 -0.83 114.58 120.08 3ku5 h GLU 78 Ca 0.24 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 3ku5 h GLU 78 Cb -0.03 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3ku5 h GLU 78 CO -0.05 0.52 -0.07 -0.97 -0.73 0.00 0.00 179.01 177.71 3ku5 h ASN 79 N 0.81 0.84 -0.38 1.04 -0.73 -0.69 -0.69 115.58 115.78 3ku5 h ASN 79 Ca 0.27 -0.24 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 3ku5 h ASN 79 Cb 0.03 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 3ku5 h ASN 79 CO -0.11 0.94 0.21 0.25 -0.37 0.00 0.00 177.43 178.35 3ku5 h LEU 80 N 0.78 0.47 -0.33 0.34 6.46 -0.63 0.21 115.31 122.61 3ku5 h LEU 80 Ca 0.14 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 3ku5 h LEU 80 Cb 0.57 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 3ku5 h LEU 80 CO 0.03 0.42 0.21 -1.13 -0.62 0.00 0.00 178.44 177.36 3ku5 h ASN 81 N 0.49 0.38 -0.33 1.25 -0.73 -0.85 -0.76 115.58 115.03 3ku5 h ASN 81 Ca 0.13 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 3ku5 h ASN 81 Cb 0.05 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 3ku5 h ASN 81 CO -0.02 0.28 0.13 0.50 -0.37 0.00 0.00 177.43 177.95 3ku5 h LYS 82 N 0.44 0.50 -0.52 6.67 3.64 -0.89 -1.04 116.57 125.37 3ku5 h LYS 82 Ca 0.12 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3ku5 h LYS 82 Cb -0.04 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3ku5 h LYS 82 CO -0.03 0.50 0.29 0.87 -2.27 0.00 0.00 179.45 178.82 3ku5 h LYS 83 N 0.39 0.70 0.02 1.90 1.79 -0.42 -0.87 116.57 120.08 3ku5 h LYS 83 Ca 0.11 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3ku5 h LYS 83 Cb 0.19 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3ku5 h LYS 83 CO -0.01 0.51 -0.01 1.98 -1.08 0.00 0.00 179.45 180.85 3ku5 h MET 84 N 0.72 -0.02 -0.42 3.15 4.05 -0.88 0.89 114.93 122.41 3ku5 h MET 84 Ca 0.19 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.53 3ku5 h MET 84 Cb 0.01 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 3ku5 h MET 84 CO -0.03 0.44 -0.04 0.93 0.23 0.00 0.00 176.91 178.44 3ku5 h GLU 85 N -0.49 0.77 -0.52 0.39 5.08 -1.02 -1.26 114.58 117.54 3ku5 h GLU 85 Ca -0.00 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3ku5 h GLU 85 Cb 0.47 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3ku5 h GLU 85 CO 0.00 0.87 0.29 -0.44 -1.00 0.00 0.00 179.01 178.73 3ku5 h ASP 86 N 0.61 0.63 -0.30 1.42 5.19 -1.25 -1.48 116.42 121.23 3ku5 h ASP 86 Ca 0.12 -0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.48 3ku5 h ASP 86 Cb 0.54 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.86 3ku5 h ASP 86 CO 0.03 0.53 0.10 1.23 -3.12 0.00 0.00 179.24 178.00 3ku5 h GLY 87 N 0.69 0.37 1.06 2.75 0.00 -0.42 0.17 103.07 107.69 3ku5 h GLY 87 Ca 0.18 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 3ku5 h GLY 87 CO -0.03 0.03 0.04 0.74 0.00 0.00 0.00 176.54 177.31 3ku5 h PHE 88 N 0.23 1.11 -0.46 5.60 0.04 -1.22 -1.45 116.94 120.79 3ku5 h PHE 88 Ca 0.14 -0.18 0.06 0.00 2.80 0.00 0.00 57.97 60.79 3ku5 h PHE 88 Cb 0.11 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 37.91 3ku5 h PHE 88 CO -0.14 0.98 0.16 1.25 -0.60 0.00 0.00 178.31 179.96 3ku5 h LEU 89 N 0.93 0.16 -0.68 1.54 5.85 -0.81 0.13 115.31 122.43 3ku5 h LEU 89 Ca 0.17 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3ku5 h LEU 89 Cb 0.51 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3ku5 h LEU 89 CO 0.02 0.12 0.31 0.44 -0.34 0.00 0.00 178.44 179.00 3ku5 h ASP 90 N 0.33 0.90 -0.31 1.25 3.32 -0.51 -0.69 116.42 120.71 3ku5 h ASP 90 Ca 0.22 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ku5 h ASP 90 Cb 0.23 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3ku5 h ASP 90 CO -0.23 0.79 0.19 0.58 -1.72 0.00 0.00 179.24 178.85 3ku5 h VAL 91 N 0.95 1.11 -0.12 -1.35 2.07 -0.52 -0.65 116.25 117.72 3ku5 h VAL 91 Ca 0.23 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 3ku5 h VAL 91 Cb 0.14 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3ku5 h VAL 91 CO -0.03 0.10 -0.61 -0.50 0.02 0.00 0.00 177.57 176.56 3ku5 h TRP 92 N 0.40 0.55 -0.06 1.57 4.06 -0.63 -0.12 115.95 121.72 3ku5 h TRP 92 Ca 0.11 -0.21 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 3ku5 h TRP 92 Cb 0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.06 3ku5 h TRP 92 CO -0.04 0.93 0.04 1.15 -3.56 0.00 0.00 178.44 176.96 3ku5 h THR 93 N 0.32 1.04 -0.32 1.49 2.02 -1.03 -0.45 112.91 115.99 3ku5 h THR 93 Ca -0.01 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.13 3ku5 h THR 93 Cb 1.15 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.49 3ku5 h THR 93 CO 0.11 0.04 -0.10 0.22 0.37 0.00 0.00 175.52 176.16 3ku5 h TYR 94 N 0.06 -0.22 -0.46 3.16 3.20 -0.89 0.82 116.97 122.65 3ku5 h TYR 94 Ca 0.02 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.96 3ku5 h TYR 94 Cb 0.02 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 3ku5 h TYR 94 CO -0.06 -0.16 0.24 -0.91 -1.64 0.00 0.00 178.16 175.63 3ku5 h ASN 95 N -0.03 0.36 -0.06 -2.11 2.35 -0.81 -0.51 115.58 114.78 3ku5 h ASN 95 Ca 0.16 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3ku5 h ASN 95 Cb 0.26 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3ku5 h ASN 95 CO -0.34 0.26 0.01 0.00 -1.65 0.00 0.00 177.43 175.71 3ku5 h ALA 96 N 1.23 0.08 -0.37 -0.83 0.00 -0.63 -1.56 119.26 117.19 3ku5 h ALA 96 Ca 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3ku5 h ALA 96 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ku5 h ALA 96 CO -0.12 -0.29 0.01 0.93 0.00 0.00 0.00 179.25 179.78 3ku5 h GLU 97 N -0.12 0.65 -0.51 0.00 5.08 -0.74 -1.97 114.58 116.96 3ku5 h GLU 97 Ca 0.02 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3ku5 h GLU 97 Cb 0.26 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3ku5 h GLU 97 CO 0.00 0.75 0.20 1.25 -1.00 0.00 0.00 179.01 180.21 3ku5 h LEU 98 N 0.47 0.70 -0.27 1.33 5.85 -1.14 -1.14 115.31 121.11 3ku5 h LEU 98 Ca 0.11 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3ku5 h LEU 98 Cb 0.45 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3ku5 h LEU 98 CO 0.02 0.68 0.12 0.25 -0.34 0.00 0.00 178.44 179.17 3ku5 h LEU 99 N 0.68 0.36 -0.54 2.25 5.85 -1.17 0.36 115.31 123.11 3ku5 h LEU 99 Ca 0.17 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3ku5 h LEU 99 Cb 0.20 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3ku5 h LEU 99 CO -0.01 0.41 0.35 0.58 -0.34 0.00 0.00 178.44 179.42 3ku5 h VAL 100 N 0.30 1.15 -0.00 1.05 2.07 -1.29 -0.41 116.25 119.11 3ku5 h VAL 100 Ca 0.09 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3ku5 h VAL 100 Cb 0.15 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3ku5 h VAL 100 CO -0.01 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.66 3ku5 h LEU 101 N 0.73 0.01 -0.55 2.57 3.38 -0.85 0.13 115.31 120.73 3ku5 h LEU 101 Ca 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ku5 h LEU 101 Cb -0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3ku5 h LEU 101 CO -0.04 0.15 0.21 0.24 0.09 0.00 0.00 178.44 179.09 3ku5 h MET 102 N -0.14 0.83 -0.04 1.13 2.86 -0.90 -2.04 114.93 116.62 3ku5 h MET 102 Ca 0.00 -0.16 -0.18 0.00 -2.06 0.00 0.00 59.70 57.30 3ku5 h MET 102 Cb 0.15 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3ku5 h MET 102 CO -0.00 0.73 -0.77 0.93 1.06 0.00 0.00 176.91 178.87 3ku5 h GLU 103 N 0.75 0.31 -0.46 1.72 4.39 -1.05 -2.14 114.58 118.09 3ku5 h GLU 103 Ca 0.18 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 59.66 3ku5 h GLU 103 Cb 0.22 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 3ku5 h GLU 103 CO -0.01 0.93 0.20 -0.91 -1.16 0.00 0.00 179.01 178.07 3ku5 h ASN 104 N 0.20 0.27 -0.43 1.42 2.35 -0.61 0.11 115.58 118.89 3ku5 h ASN 104 Ca -0.03 0.04 0.08 0.00 -0.55 0.00 0.00 56.30 55.84 3ku5 h ASN 104 Cb 1.35 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 39.64 3ku5 h ASN 104 CO 0.12 0.19 -0.05 -0.08 -1.65 0.00 0.00 177.43 175.96 3ku5 h GLU 105 N 0.41 0.05 -0.09 0.81 4.81 -1.21 -2.20 114.58 117.16 3ku5 h GLU 105 Ca 0.21 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3ku5 h GLU 105 Cb 0.16 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3ku5 h GLU 105 CO -0.18 0.03 -0.40 0.00 -0.73 0.00 0.00 179.01 177.74 3ku5 h ARG 106 N 0.05 0.20 -0.44 1.92 3.08 -0.96 -2.82 114.38 115.41 3ku5 h ARG 106 Ca 0.21 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3ku5 h ARG 106 Cb 0.32 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3ku5 h ARG 106 CO -0.40 0.57 0.06 1.15 -1.07 0.00 0.00 179.97 180.28 3ku5 h THR 107 N 0.17 1.25 -0.50 2.04 2.02 -0.30 0.16 112.91 117.75 3ku5 h THR 107 Ca 0.02 -0.92 -0.08 0.00 0.77 0.00 0.00 66.41 66.19 3ku5 h THR 107 Cb 0.78 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3ku5 h THR 107 CO 0.06 0.32 -0.02 -0.07 0.37 0.00 0.00 175.52 176.18 3ku5 h LEU 108 N 0.60 0.83 -0.43 2.58 3.38 -1.37 -2.51 115.31 118.38 3ku5 h LEU 108 Ca 0.13 -0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 3ku5 h LEU 108 Cb 0.40 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3ku5 h LEU 108 CO 0.01 0.90 -0.77 0.44 0.09 0.00 0.00 178.44 179.12 3ku5 h ASP 109 N 0.79 0.24 -0.30 -0.43 3.32 -1.31 -2.23 116.42 116.50 3ku5 h ASP 109 Ca 0.15 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.03 3ku5 h ASP 109 Cb 0.51 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3ku5 h ASP 109 CO 0.03 0.92 0.17 0.15 -1.72 0.00 0.00 179.24 178.79 3ku5 h PHE 110 N 0.12 0.33 -0.79 4.55 3.57 -0.51 0.42 116.94 124.62 3ku5 h PHE 110 Ca -0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 3ku5 h PHE 110 Cb 1.35 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 3ku5 h PHE 110 CO 0.02 0.20 0.33 0.45 -2.23 0.00 0.00 178.31 177.07 3ku5 h HIS 111 N 0.36 1.19 -0.17 0.41 3.86 -1.37 -0.33 115.15 119.10 3ku5 h HIS 111 Ca 0.12 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3ku5 h HIS 111 Cb -0.00 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 3ku5 h HIS 111 CO -0.08 0.90 0.10 0.22 0.86 0.00 0.00 177.93 179.93 3ku5 h ASP 112 N 1.14 0.21 -0.75 2.45 3.58 -1.08 -1.37 116.42 120.60 3ku5 h ASP 112 Ca 0.26 -0.06 0.07 0.00 0.42 0.00 0.00 57.03 57.72 3ku5 h ASP 112 Cb 0.20 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.14 3ku5 h ASP 112 CO -0.02 0.21 0.42 -1.28 -2.88 0.00 0.00 179.24 175.69 3ku5 h SER 113 N 0.19 0.63 -0.51 2.28 0.87 -0.67 -0.57 113.55 115.77 3ku5 h SER 113 Ca 0.06 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 3ku5 h SER 113 Cb 0.04 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 3ku5 h SER 113 CO -0.01 0.39 0.03 0.78 -0.53 0.00 0.00 176.83 177.49 3ku5 h ASN 114 N 0.76 0.89 -0.01 6.23 2.35 -0.65 0.33 115.58 125.48 3ku5 h ASN 114 Ca 0.34 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3ku5 h ASN 114 Cb 0.24 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 3ku5 h ASN 114 CO -0.20 0.94 -0.00 0.58 -1.65 0.00 0.00 177.43 177.09 3ku5 h VAL 115 N 0.86 1.28 -0.67 2.81 2.07 -0.99 -2.11 116.25 119.51 3ku5 h VAL 115 Ca 0.17 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 66.91 3ku5 h VAL 115 Cb 0.47 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3ku5 h VAL 115 CO 0.02 0.22 0.38 0.50 0.02 0.00 0.00 177.57 178.71 3ku5 h LYS 116 N -0.32 0.68 -0.22 1.57 1.63 -0.88 -1.28 116.57 117.75 3ku5 h LYS 116 Ca 0.00 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.67 3ku5 h LYS 116 Cb 0.36 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 3ku5 h LYS 116 CO 0.00 0.45 -0.25 -0.91 -3.45 0.00 0.00 179.45 175.29 3ku5 h ASN 117 N 0.70 0.42 -0.24 4.20 2.35 -0.92 -0.49 115.58 121.60 3ku5 h ASN 117 Ca 0.30 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 3ku5 h ASN 117 Cb 0.16 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3ku5 h ASN 117 CO -0.17 0.67 -0.11 0.25 -1.65 0.00 0.00 177.43 176.42 3ku5 h LEU 118 N 0.37 0.52 -0.23 1.61 5.85 -1.04 -1.18 115.31 121.21 3ku5 h LEU 118 Ca 0.06 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.42 3ku5 h LEU 118 Cb 0.64 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3ku5 h LEU 118 CO 0.05 0.81 -0.03 0.22 -0.34 0.00 0.00 178.44 179.14 3ku5 h TYR 119 N 0.23 -0.08 -0.54 1.25 3.20 -1.01 -2.14 116.97 117.89 3ku5 h TYR 119 Ca 0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3ku5 h TYR 119 Cb 0.60 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 3ku5 h TYR 119 CO 0.06 -0.07 0.19 -0.44 -1.64 0.00 0.00 178.16 176.26 3ku5 h ASP 120 N 0.03 0.72 -0.29 -2.11 3.32 -1.02 0.01 116.42 117.08 3ku5 h ASP 120 Ca 0.11 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3ku5 h ASP 120 Cb 0.16 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3ku5 h ASP 120 CO -0.22 0.66 0.17 0.50 -1.72 0.00 0.00 179.24 178.64 3ku5 h LYS 121 N 0.77 0.40 -0.24 3.56 3.64 -0.93 0.18 116.57 123.97 3ku5 h LYS 121 Ca 0.18 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3ku5 h LYS 121 Cb 0.19 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3ku5 h LYS 121 CO -0.01 0.33 -0.03 0.28 -2.27 0.00 0.00 179.45 177.74 3ku5 h VAL 122 N 0.37 1.27 -0.31 2.00 2.07 -1.12 -2.92 116.25 117.61 3ku5 h VAL 122 Ca 0.10 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.70 3ku5 h VAL 122 Cb 0.04 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3ku5 h VAL 122 CO -0.02 0.31 -0.13 -0.09 0.02 0.00 0.00 177.57 177.66 3ku5 h ARG 123 N 0.19 -0.07 0.00 1.57 2.43 -0.81 -1.12 114.38 116.57 3ku5 h ARG 123 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3ku5 h ARG 123 Cb 0.47 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3ku5 h ARG 123 CO 0.02 -0.05 0.00 0.52 -1.51 0.00 0.00 179.97 178.95 3ku5 h MET 124 N -0.07 0.00 0.08 0.20 2.86 -0.95 -1.59 114.93 115.45 3ku5 h MET 124 Ca 0.16 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.47 3ku5 h MET 124 Cb 0.31 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3ku5 h MET 124 CO -0.36 0.00 -1.80 0.94 1.06 0.00 0.00 176.91 176.74 3ku5 n GLN 125 N -2.36 0.69 0.11 1.72 7.27 -0.77 -4.38 117.38 119.66 3ku5 n GLN 125 Ca 0.01 0.36 -0.04 0.00 0.07 0.00 0.00 57.00 57.40 3ku5 n GLN 125 Cb 0.21 -1.71 0.07 0.00 2.41 0.00 0.00 30.24 31.23 3ku5 n GLN 125 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3ku5 h LEU 126 N -0.31 0.08 0.00 1.69 3.38 -1.02 -3.44 115.31 115.68 3ku5 h LEU 126 Ca -0.42 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3ku5 h LEU 126 Cb 1.78 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.51 3ku5 h LEU 126 CO -0.03 0.79 0.00 0.54 0.09 0.00 0.00 178.44 179.83 3ku5 n ARG 127 N -3.70 0.00 -0.38 1.13 1.74 -0.62 -1.98 116.66 112.86 3ku5 n ARG 127 Ca -0.01 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.13 3ku5 n ARG 127 Cb 0.71 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.39 3ku5 n ARG 127 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3ku5 n ASP 128 N 3.02 3.21 0.00 0.55 5.75 -1.26 -3.61 116.55 124.21 3ku5 n ASP 128 Ca 0.00 -2.23 0.13 0.00 -0.01 0.00 0.00 54.79 52.69 3ku5 n ASP 128 Cb 0.00 -0.44 0.71 0.00 -1.03 0.00 0.00 41.12 40.36 3ku5 n ASP 128 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3ku5 n ASN 129 N 0.76 0.00 -4.17 -1.12 3.02 -0.84 -4.84 115.26 108.07 3ku5 n ASN 129 Ca 0.17 -0.31 -0.11 0.00 -0.03 0.00 0.00 54.58 54.31 3ku5 n ASN 129 Cb 0.59 -0.21 -0.10 0.00 -0.61 0.00 0.00 39.78 39.45 3ku5 n ASN 129 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ku5 s VAL 130 N -2.41 0.63 -0.15 2.41 -7.23 -1.24 -0.83 120.40 111.58 3ku5 s VAL 130 Ca 0.30 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.46 3ku5 s VAL 130 Cb 0.18 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 3ku5 s VAL 130 CO 0.38 -0.80 0.13 -0.54 -0.31 0.00 0.00 175.10 173.96 3ku5 s LYS 131 N -3.86 3.73 -0.44 4.82 1.02 0.93 -4.91 119.74 121.03 3ku5 s LYS 131 Ca 0.14 -0.19 -0.28 0.00 0.02 0.00 0.00 55.97 55.66 3ku5 s LYS 131 Cb 0.06 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.13 3ku5 s LYS 131 CO -0.03 0.57 1.07 -1.21 -0.92 0.00 0.00 175.35 174.83 3ku5 s GLU 132 N -0.43 3.77 0.29 1.68 2.02 -1.26 -1.37 118.70 123.39 3ku5 s GLU 132 Ca 0.12 0.59 0.13 0.00 0.02 0.00 0.00 54.97 55.83 3ku5 s GLU 132 Cb -0.12 -3.87 0.37 0.00 0.10 0.00 0.00 34.13 30.61 3ku5 s GLU 132 CO 0.01 -1.23 1.60 -0.07 0.02 0.00 0.00 175.26 175.59 3ku5 h LEU 133 N 10.81 0.00 0.00 1.80 3.38 -1.79 -3.47 115.31 126.03 3ku5 h LEU 133 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ku5 h LEU 133 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3ku5 h LEU 133 CO 1.08 0.58 0.00 0.61 0.09 0.00 0.00 178.44 180.80 3ku5 n GLY 134 N 0.46 0.82 0.05 0.83 0.00 -1.26 -4.96 105.19 101.12 3ku5 n GLY 134 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3ku5 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ku5 n ASN 135 N 0.00 1.87 0.00 1.61 6.94 -1.26 -4.77 115.26 119.65 3ku5 n ASN 135 Ca 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 54.58 52.28 3ku5 n ASN 135 Cb 0.00 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 3ku5 n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ku5 n GLY 136 N -0.75 0.44 3.85 4.83 0.00 -1.26 -4.48 105.19 107.83 3ku5 n GLY 136 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3ku5 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ku5 s PHE 138 N -1.54 2.37 -0.21 0.00 0.08 -1.26 -1.99 117.98 115.43 3ku5 s PHE 138 Ca 0.32 -0.93 -0.06 0.00 0.12 0.00 0.00 56.93 56.38 3ku5 s PHE 138 Cb -0.12 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3ku5 s PHE 138 CO 0.25 -0.37 0.04 -2.00 -0.10 0.00 0.00 175.22 173.04 3ku5 s GLU 139 N 0.31 3.71 0.26 0.44 2.12 -0.47 -4.91 118.70 120.16 3ku5 s GLU 139 Ca -0.16 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 3ku5 s GLU 139 Cb -0.17 -3.20 -0.09 0.00 0.26 0.00 0.00 34.13 30.93 3ku5 s GLU 139 CO 0.07 -0.00 1.05 -0.06 -0.54 0.00 0.00 175.26 175.78 3ku5 s PHE 140 N 1.09 3.72 -0.17 5.30 0.08 -1.26 -0.05 117.98 126.68 3ku5 s PHE 140 Ca 0.03 1.77 0.01 0.00 0.12 0.00 0.00 56.93 58.86 3ku5 s PHE 140 Cb -0.14 -3.18 0.25 0.00 -0.57 0.00 0.00 43.02 39.38 3ku5 s PHE 140 CO 0.02 -0.21 1.38 0.66 -0.10 0.00 0.00 175.22 176.97 3ku5 n TYR 141 N 1.39 1.18 -3.59 0.36 4.01 -0.01 -4.85 117.16 115.66 3ku5 n TYR 141 Ca -0.01 -1.05 -0.06 0.00 -0.16 0.00 0.00 57.90 56.63 3ku5 n TYR 141 Cb 0.46 -0.53 -0.02 0.00 -0.31 0.00 0.00 39.34 38.94 3ku5 n TYR 141 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3ku5 s HIS 142 N -1.27 -0.24 0.12 -0.72 -3.43 -1.26 -4.07 115.29 104.43 3ku5 s HIS 142 Ca 0.22 0.08 -0.30 0.00 -0.80 0.00 0.00 55.06 54.25 3ku5 s HIS 142 Cb 0.18 0.56 -0.07 0.00 -1.43 0.00 0.00 32.58 31.82 3ku5 s HIS 142 CO 0.04 -0.54 1.24 0.15 -2.00 0.00 0.00 174.74 173.64 3ku5 s LYS 143 N -3.00 4.43 -0.36 -0.38 1.02 -1.26 -5.01 119.74 115.18 3ku5 s LYS 143 Ca 0.08 1.89 0.02 0.00 0.02 0.00 0.00 55.97 57.98 3ku5 s LYS 143 Cb -0.01 -3.28 0.11 0.00 -0.52 0.00 0.00 37.83 34.13 3ku5 s LYS 143 CO -0.05 -0.23 0.11 0.00 -0.92 0.00 0.00 175.35 174.25 3ku5 n ASP 145 N 4.29 -1.52 -0.21 0.00 5.68 -1.26 -4.53 116.55 119.00 3ku5 n ASP 145 Ca 0.02 -0.63 -0.08 0.00 -0.50 0.00 0.00 54.79 53.61 3ku5 n ASP 145 Cb 0.40 -0.29 0.03 0.00 -1.14 0.00 0.00 41.12 40.11 3ku5 n ASP 145 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ku5 h ASP 146 N -1.65 0.88 -0.08 -1.12 3.32 -2.00 0.16 116.42 115.93 3ku5 h ASP 146 Ca -0.12 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.66 3ku5 h ASP 146 Cb 0.37 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3ku5 h ASP 146 CO 0.08 0.85 -0.12 -0.33 -1.72 0.00 0.00 179.24 178.00 3ku5 h GLU 147 N 0.86 0.39 -0.24 3.56 4.39 -1.98 0.26 114.58 121.81 3ku5 h GLU 147 Ca 0.19 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 3ku5 h GLU 147 Cb 0.29 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3ku5 h GLU 147 CO -0.01 0.51 -0.16 0.00 -1.16 0.00 0.00 179.01 178.19 3ku5 h MET 149 N 0.24 0.96 -0.27 0.00 2.86 -0.41 -2.81 114.93 115.50 3ku5 h MET 149 Ca 0.05 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3ku5 h MET 149 Cb 0.69 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3ku5 h MET 149 CO 0.04 0.86 0.17 -0.91 1.06 0.00 0.00 176.91 178.14 3ku5 h ASN 150 N 0.88 0.31 -0.54 1.22 2.35 -0.90 -2.16 115.58 116.74 3ku5 h ASN 150 Ca 0.19 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.82 3ku5 h ASN 150 Cb 0.31 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3ku5 h ASN 150 CO -0.00 0.24 -0.12 0.77 -1.65 0.00 0.00 177.43 176.67 3ku5 h SER 151 N 0.37 1.04 -0.19 5.81 4.64 -1.12 -3.09 113.55 121.00 3ku5 h SER 151 Ca 0.10 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3ku5 h SER 151 Cb -0.02 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 3ku5 h SER 151 CO -0.02 1.15 0.06 0.58 -0.87 0.00 0.00 176.83 177.74 3ku5 h VAL 152 N 0.92 1.18 0.00 0.95 2.07 -1.29 0.96 116.25 121.05 3ku5 h VAL 152 Ca 0.14 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3ku5 h VAL 152 Cb 0.69 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3ku5 h VAL 152 CO 0.05 0.18 -0.00 0.11 0.02 0.00 0.00 177.57 177.93 3ku5 h LYS 153 N 0.14 0.00 0.00 1.57 1.57 -1.40 -1.71 116.57 116.75 3ku5 h LYS 153 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ku5 h LYS 153 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3ku5 h LYS 153 CO -0.00 0.00 -0.02 0.27 -0.57 0.00 0.00 179.45 179.13 3ku5 n ASN 154 N -3.08 2.08 -2.97 0.86 6.94 -1.17 -4.98 115.26 112.93 3ku5 n ASN 154 Ca -0.02 -2.64 -0.14 0.00 -0.02 0.00 0.00 54.58 51.76 3ku5 n ASN 154 Cb 0.12 -0.27 0.07 0.00 -2.36 0.00 0.00 39.78 37.34 3ku5 n ASN 154 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ku5 n GLY 155 N -1.04 -0.21 0.29 4.83 0.00 -0.57 -4.95 105.19 103.55 3ku5 n GLY 155 Ca 0.10 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 3ku5 n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ku5 n THR 156 N -3.62 0.64 -1.67 2.61 -2.24 0.32 -5.00 114.28 105.33 3ku5 n THR 156 Ca -0.21 -0.76 -0.46 0.00 -2.27 0.00 0.00 64.05 60.35 3ku5 n THR 156 Cb 0.63 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 3ku5 n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ku5 n TYR 157 N -0.48 2.22 -3.31 4.78 9.36 -1.08 -4.83 117.16 123.83 3ku5 n TYR 157 Ca 0.05 0.33 -0.46 0.00 3.32 0.00 0.00 57.90 61.14 3ku5 n TYR 157 Cb 0.64 -2.51 -0.04 0.00 -0.63 0.00 0.00 39.34 36.80 3ku5 n TYR 157 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3ku5 s ASP 158 N 0.70 6.43 -0.02 2.98 -1.08 -1.26 -4.87 116.67 119.55 3ku5 s ASP 158 Ca 0.76 -2.15 -0.24 0.00 -0.52 0.00 0.00 52.55 50.39 3ku5 s ASP 158 Cb -0.68 -2.22 -0.18 0.00 -1.46 0.00 0.00 42.92 38.39 3ku5 s ASP 158 CO 0.42 -0.75 1.15 0.22 0.52 0.00 0.00 175.17 176.73 3ku5 h TYR 159 N 8.44 -0.16 -0.62 -5.34 3.20 -1.91 -1.83 116.97 118.75 3ku5 h TYR 159 Ca -0.13 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 61.92 3ku5 h TYR 159 Cb 1.07 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 3ku5 h TYR 159 CO 0.86 0.27 0.65 -1.35 -1.64 0.00 0.00 178.16 176.95 3ku5 h PRO 160 N -0.66 0.00 0.02 1.82 0.11 -1.96 0.16 132.00 131.48 3ku5 h PRO 160 Ca -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3ku5 h PRO 160 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3ku5 h PRO 160 CO 0.03 0.00 -0.01 -0.22 -0.21 0.00 0.00 178.00 177.59 3ku5 h LYS 161 N 0.00 -0.02 -0.06 1.05 3.64 -1.89 -3.34 116.57 115.94 3ku5 h LYS 161 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3ku5 h LYS 161 Cb 1.59 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 3ku5 h LYS 161 CO -0.00 0.69 0.00 0.66 -2.27 0.00 0.00 179.45 178.53 3ku5 n TYR 162 N -4.74 0.07 -0.20 1.91 4.01 -0.60 -4.56 117.16 113.04 3ku5 n TYR 162 Ca -0.09 -0.03 -0.02 0.00 -0.16 0.00 0.00 57.90 57.60 3ku5 n TYR 162 Cb 0.36 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.44 3ku5 n TYR 162 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ku5 h GLU 163 N 2.09 -0.03 0.08 -0.72 4.81 -0.86 -2.28 114.58 117.66 3ku5 h GLU 163 Ca 0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 3ku5 h GLU 163 Cb 0.45 0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.86 3ku5 h GLU 163 CO 0.00 -0.02 -1.17 0.93 -0.73 0.00 0.00 179.01 178.01 3ku5 h GLU 164 N -0.03 0.66 -0.97 1.92 3.07 -1.86 -3.07 114.58 114.29 3ku5 h GLU 164 Ca 0.29 -0.81 0.09 0.00 -0.50 0.00 0.00 59.36 58.42 3ku5 h GLU 164 Cb 0.47 0.26 -0.07 0.00 -0.84 0.00 0.00 28.75 28.57 3ku5 h GLU 164 CO -0.64 1.37 0.62 1.49 -1.40 0.00 0.00 179.01 180.45 3ku5 h GLU 165 N 0.31 1.01 0.19 2.33 4.81 -1.81 -3.06 114.58 118.37 3ku5 h GLU 165 Ca -0.17 -0.06 -0.29 0.00 -0.13 0.00 0.00 59.36 58.71 3ku5 h GLU 165 Cb 1.84 -0.23 0.03 0.00 0.63 0.00 0.00 28.75 31.02 3ku5 h GLU 165 CO 0.23 0.67 -1.24 0.77 -0.73 0.00 0.00 179.01 178.71 3ku5 h SER 166 N 1.04 0.75 -0.87 1.04 0.02 -1.48 -3.09 113.55 110.97 3ku5 h SER 166 Ca 0.44 -0.90 0.05 0.00 -0.84 0.00 0.00 61.79 60.54 3ku5 h SER 166 Cb 0.31 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 3ku5 h SER 166 CO -0.19 1.60 0.57 0.07 -1.14 0.00 0.00 176.83 177.73 3ku5 h LYS 167 N 0.03 0.99 -0.15 3.45 2.10 -1.51 0.72 116.57 122.20 3ku5 h LYS 167 Ca -0.21 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.36 3ku5 h LYS 167 Cb 1.96 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 33.06 3ku5 h LYS 167 CO 0.23 0.65 0.01 -0.07 -2.00 0.00 0.00 179.45 178.28 3ku5 h LEU 168 N 1.02 0.25 -0.56 7.07 3.38 -1.63 -0.64 115.31 124.21 3ku5 h LEU 168 Ca 0.36 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3ku5 h LEU 168 Cb 0.14 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3ku5 h LEU 168 CO -0.12 0.48 0.27 0.78 0.09 0.00 0.00 178.44 179.93 3ku5 h ASN 169 N 0.02 0.36 0.22 -0.43 2.35 -1.32 0.70 115.58 117.49 3ku5 h ASN 169 Ca 0.04 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 3ku5 h ASN 169 Cb 0.34 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3ku5 h ASN 169 CO 0.01 0.24 -0.31 -0.09 -1.65 0.00 0.00 177.43 175.62 3ku5 h ARG 170 N 0.51 0.15 0.04 0.81 2.43 0.62 -3.31 114.38 115.63 3ku5 h ARG 170 Ca 0.26 -0.06 -0.38 0.00 -0.81 0.00 0.00 59.98 58.99 3ku5 h ARG 170 Cb 0.20 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 3ku5 h ARG 170 CO -0.20 0.46 -2.19 0.09 -1.51 0.00 0.00 179.97 176.62 3ku5 n ASN 171 N -4.12 2.01 0.00 -3.80 3.02 -0.26 -5.06 115.26 107.04 3ku5 n ASN 171 Ca -0.01 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3ku5 n ASN 171 Cb 0.39 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 3ku5 n ASN 171 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80