#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u38 n PHE 18 N 0.00 1.19 -3.59 4.31 3.01 -1.26 -0.22 117.46 120.89 1u38 n PHE 18 Ca 0.00 0.40 -0.02 0.00 1.01 0.00 0.00 57.45 58.84 1u38 n PHE 18 Cb 0.00 -2.13 -0.06 0.00 -0.01 0.00 0.00 39.48 37.29 1u38 n PHE 18 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1u38 s LYS 19 N -3.74 0.50 -0.50 -1.08 0.00 0.29 -4.80 119.74 110.40 1u38 s LYS 19 Ca 0.75 1.02 -0.28 0.00 0.00 0.00 0.00 55.97 57.46 1u38 s LYS 19 Cb -0.32 0.36 0.00 0.00 0.00 0.00 0.00 37.83 37.87 1u38 s LYS 19 CO 0.49 -0.13 1.57 0.34 0.00 0.00 0.00 175.35 177.62 1u38 s ASP 20 N 2.03 5.96 0.02 0.03 -1.08 -1.26 -2.05 116.67 120.32 1u38 s ASP 20 Ca -0.07 0.58 -0.28 0.00 -0.52 0.00 0.00 52.55 52.26 1u38 s ASP 20 Cb -0.07 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.81 1u38 s ASP 20 CO -0.18 -1.79 0.87 -0.69 0.52 0.00 0.00 175.17 173.91 1u38 s VAL 21 N 6.67 4.78 -0.29 1.11 1.01 0.40 -4.90 120.40 129.18 1u38 s VAL 21 Ca 0.62 1.84 0.02 0.00 0.00 0.00 0.00 61.98 64.46 1u38 s VAL 21 Cb -0.14 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.10 1u38 s VAL 21 CO 0.27 0.26 0.00 0.12 0.00 0.00 0.00 175.10 175.76 1u38 s PHE 22 N 0.48 2.88 -0.44 5.22 5.36 -1.25 0.16 117.98 130.39 1u38 s PHE 22 Ca 0.45 -2.27 -0.06 0.00 -0.96 0.00 0.00 56.93 54.09 1u38 s PHE 22 Cb -0.21 -2.13 0.12 0.00 -0.34 0.00 0.00 43.02 40.46 1u38 s PHE 22 CO 0.25 -0.87 0.27 0.42 -1.46 0.00 0.00 175.22 173.84 1u38 s ILE 23 N 1.22 3.71 -0.46 3.12 -1.09 -0.13 -4.90 121.20 122.67 1u38 s ILE 23 Ca 0.02 -1.96 -0.24 0.00 -2.23 0.00 0.00 60.65 56.25 1u38 s ILE 23 Cb -0.19 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1u38 s ILE 23 CO -0.10 -0.73 0.82 -0.70 -1.23 0.00 0.00 174.94 172.99 1u38 s GLU 24 N 1.21 3.42 0.08 2.79 -6.30 -1.26 -0.64 118.70 118.00 1u38 s GLU 24 Ca 0.07 -0.07 0.01 0.00 -2.50 0.00 0.00 54.97 52.48 1u38 s GLU 24 Cb -0.24 -3.94 -0.00 0.00 0.00 0.00 0.00 34.13 29.94 1u38 s GLU 24 CO -0.03 -1.15 0.04 0.36 0.02 0.00 0.00 175.26 174.50 1u38 n LYS 25 N 6.83 0.60 -3.95 4.30 -0.00 -0.08 -4.97 118.16 120.89 1u38 n LYS 25 Ca 0.03 -0.74 -0.22 0.00 -0.00 0.00 0.00 58.31 57.39 1u38 n LYS 25 Cb 0.48 0.47 -0.04 0.00 -0.00 0.00 0.00 35.03 35.94 1u38 n LYS 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1u38 s GLN 26 N -2.32 2.73 0.76 -1.58 -1.52 -1.26 -4.15 119.66 112.33 1u38 s GLN 26 Ca 0.06 -1.25 -0.14 0.00 -1.95 0.00 0.00 55.36 52.08 1u38 s GLN 26 Cb 0.00 -2.46 0.06 0.00 -0.22 0.00 0.00 33.01 30.39 1u38 s GLN 26 CO 0.04 0.20 1.17 0.15 -0.25 0.00 0.00 175.29 176.60 1u38 s LYS 27 N -3.92 1.98 -0.93 2.91 1.02 -1.25 -2.70 119.74 116.85 1u38 s LYS 27 Ca 0.38 1.63 0.00 0.00 0.02 0.00 0.00 55.97 58.00 1u38 s LYS 27 Cb -0.06 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 1u38 s LYS 27 CO 0.25 -1.92 0.00 0.41 -0.92 0.00 0.00 175.35 173.17 1u38 n GLY 28 N 0.12 0.97 0.96 -3.33 0.00 -0.72 -4.83 105.19 98.36 1u38 n GLY 28 Ca 0.12 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1u38 n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u38 n GLU 29 N -1.69 1.18 0.00 1.61 -0.58 -1.10 -5.02 120.64 115.05 1u38 n GLU 29 Ca -0.09 -2.95 0.00 0.00 -0.42 0.00 0.00 57.16 53.70 1u38 n GLU 29 Cb 0.42 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 1u38 n GLU 29 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1u38 n ILE 30 N -0.61 0.00 0.00 -3.67 -5.35 -1.26 -4.44 119.36 104.03 1u38 n ILE 30 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 1u38 n ILE 30 Cb 0.84 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 1u38 n ILE 30 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1u38 n LEU 31 N 0.00 0.00 -0.66 7.28 7.94 -1.26 -4.81 117.00 125.49 1u38 n LEU 31 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1u38 n LEU 31 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1u38 n LEU 31 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1u38 n GLY 32 N 0.00 0.46 3.27 -3.96 0.00 -1.26 -2.49 105.19 101.22 1u38 n GLY 32 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 1u38 n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u38 s VAL 33 N -2.44 0.08 -0.15 1.61 -7.23 -1.26 0.22 120.40 111.23 1u38 s VAL 33 Ca 0.00 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 1u38 s VAL 33 Cb 0.00 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.93 1u38 s VAL 33 CO 0.00 -0.38 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.58 1u38 s VAL 34 N -2.95 1.55 0.03 1.32 1.01 0.28 -4.90 120.40 116.73 1u38 s VAL 34 Ca -0.02 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1u38 s VAL 34 Cb 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1u38 s VAL 34 CO -0.06 0.44 -0.05 0.27 0.00 0.00 0.00 175.10 175.70 1u38 s ILE 35 N 1.50 3.74 0.18 2.22 -4.36 -1.26 0.54 121.20 123.75 1u38 s ILE 35 Ca 0.05 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.59 1u38 s ILE 35 Cb -0.13 -2.67 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 1u38 s ILE 35 CO -0.11 0.31 0.04 0.68 0.24 0.00 0.00 174.94 176.10 1u38 s VAL 36 N -1.09 0.47 0.22 8.37 -7.23 -0.13 -4.84 120.40 116.18 1u38 s VAL 36 Ca 0.19 -1.97 -0.32 0.00 -1.81 0.00 0.00 61.98 58.08 1u38 s VAL 36 Cb -0.11 -2.20 -0.13 0.00 0.56 0.00 0.00 36.38 34.51 1u38 s VAL 36 CO 0.10 -0.38 1.63 -0.62 -0.31 0.00 0.00 175.10 175.53 1u38 n GLU 37 N -0.24 2.54 -2.06 4.82 1.02 -1.26 0.74 120.64 126.20 1u38 n GLU 37 Ca -0.05 0.91 -0.28 0.00 -0.02 0.00 0.00 57.16 57.73 1u38 n GLU 37 Cb 0.64 -2.71 -0.06 0.00 -0.02 0.00 0.00 31.44 29.30 1u38 n GLU 37 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1u38 s SER 38 N 0.87 5.09 0.00 1.62 1.04 -1.26 -4.67 113.70 116.39 1u38 s SER 38 Ca 0.73 -1.25 0.29 0.00 0.48 0.00 0.00 55.95 56.20 1u38 s SER 38 Cb -0.56 -2.58 1.35 0.00 0.10 0.00 0.00 66.02 64.33 1u38 s SER 38 CO 0.39 -2.92 1.93 0.61 0.98 0.00 0.00 173.24 174.23 1u38 n GLY 39 N 6.26 -0.99 0.00 7.32 0.00 -1.26 -4.60 105.19 111.92 1u38 n GLY 39 Ca 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1u38 n GLY 39 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1u38 n TRP 40 N -0.99 -1.06 0.02 1.61 4.27 -1.26 -4.66 117.44 115.36 1u38 n TRP 40 Ca 0.15 0.00 0.23 0.00 -3.89 0.00 0.00 57.50 53.99 1u38 n TRP 40 Cb 0.26 0.00 0.68 0.00 -1.36 0.00 0.00 31.31 30.89 1u38 n TRP 40 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1u38 h GLY 41 N -0.27 0.00 -2.67 -1.67 0.00 -2.04 -3.45 103.07 92.97 1u38 h GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u38 h GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1u38 n SER 42 N -3.61 -1.78 0.08 0.19 3.41 -1.26 -5.00 113.62 105.65 1u38 n SER 42 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.62 1u38 n SER 42 Cb 0.83 -0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 64.11 1u38 n SER 42 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1u38 h ILE 43 N 0.00 1.59 -1.30 -1.33 2.04 -1.92 -3.42 117.51 113.16 1u38 h ILE 43 Ca 0.00 -3.09 -0.16 0.00 1.00 0.00 0.00 64.86 62.61 1u38 h ILE 43 Cb 0.89 2.78 -0.23 0.00 -0.74 0.00 0.00 36.82 39.52 1u38 h ILE 43 CO 0.00 0.89 -0.53 -0.76 0.00 0.00 0.00 178.15 177.75 1u38 s LEU 44 N -7.05 -1.05 -0.75 1.44 1.43 -1.26 -5.09 118.68 106.36 1u38 s LEU 44 Ca -0.02 -1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 51.86 1u38 s LEU 44 Cb 0.09 1.51 -0.19 0.00 0.03 0.00 0.00 46.19 47.63 1u38 s LEU 44 CO 0.84 -0.19 1.98 -2.65 0.23 0.00 0.00 176.35 176.56 1u38 n PRO 45 N 4.31 0.17 0.00 1.29 -0.02 -1.26 -4.51 135.00 134.98 1u38 n PRO 45 Ca 0.11 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 1u38 n PRO 45 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1u38 n PRO 45 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1u38 n THR 46 N 6.87 0.00 -3.76 3.45 5.66 -1.26 0.84 114.28 126.08 1u38 n THR 46 Ca 0.43 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.35 1u38 n THR 46 Cb 0.36 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.12 1u38 n THR 46 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1u38 s VAL 47 N 0.17 0.00 -0.06 1.08 -7.23 -1.26 -4.09 120.40 109.01 1u38 s VAL 47 Ca 0.00 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1u38 s VAL 47 Cb 0.00 -1.78 0.02 0.00 0.56 0.00 0.00 36.38 35.18 1u38 s VAL 47 CO 0.00 0.00 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.11 1u38 s ILE 48 N -3.86 0.62 -0.78 -0.62 1.01 0.23 -3.20 121.20 114.60 1u38 s ILE 48 Ca 0.09 -0.14 -0.25 0.00 0.00 0.00 0.00 60.65 60.34 1u38 s ILE 48 Cb -0.05 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1u38 s ILE 48 CO 0.02 0.26 2.02 -0.63 0.00 0.00 0.00 174.94 176.61 1u38 s ILE 49 N 1.08 3.33 -1.74 2.92 1.01 -0.37 -0.95 121.20 126.48 1u38 s ILE 49 Ca -0.08 -0.14 0.26 0.00 0.00 0.00 0.00 60.65 60.69 1u38 s ILE 49 Cb -0.14 -3.78 0.23 0.00 0.01 0.00 0.00 42.46 38.78 1u38 s ILE 49 CO -0.01 -0.74 1.51 0.00 0.00 0.00 0.00 174.94 175.71 1u38 n ALA 50 N 14.46 3.15 -3.51 9.38 0.00 0.19 -1.20 120.51 142.98 1u38 n ALA 50 Ca 0.36 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1u38 n ALA 50 Cb 0.48 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1u38 n ALA 50 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1u38 s ASN 51 N -2.53 -0.42 -0.19 0.00 2.47 -0.97 -4.95 114.94 108.35 1u38 s ASN 51 Ca 0.23 0.16 -0.12 0.00 0.42 0.00 0.00 52.86 53.56 1u38 s ASN 51 Cb 0.19 0.41 0.06 0.00 -1.45 0.00 0.00 41.25 40.46 1u38 s ASN 51 CO 0.54 -0.60 0.47 -0.32 -3.72 0.00 0.00 177.10 173.47 1u38 s MET 52 N -2.56 0.48 -0.52 0.43 1.75 -1.26 1.00 119.30 118.62 1u38 s MET 52 Ca 0.01 0.85 -0.26 0.00 -1.25 0.00 0.00 55.69 55.04 1u38 s MET 52 Cb -0.01 0.05 -0.05 0.00 2.84 0.00 0.00 34.83 37.66 1u38 s MET 52 CO -0.05 -0.14 2.23 -1.64 -0.65 0.00 0.00 175.02 174.76 1u38 s MET 53 N 1.27 2.31 -0.68 4.11 -1.94 0.13 -4.83 119.30 119.67 1u38 s MET 53 Ca -0.08 1.18 -0.25 0.00 -1.71 0.00 0.00 55.69 54.83 1u38 s MET 53 Cb -0.07 -4.51 -0.21 0.00 2.01 0.00 0.00 34.83 32.04 1u38 s MET 53 CO -0.12 -3.06 1.86 0.72 -0.01 0.00 0.00 175.02 174.41 1u38 n HIS 54 N 14.75 1.43 0.00 -0.03 8.25 -1.26 -2.12 115.22 136.24 1u38 n HIS 54 Ca 0.31 -1.22 0.00 0.00 -0.26 0.00 0.00 57.72 56.56 1u38 n HIS 54 Cb 0.54 -1.72 0.00 0.00 1.12 0.00 0.00 29.99 29.92 1u38 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u38 n GLY 55 N 5.07 0.51 0.00 -1.41 0.00 -1.26 -5.06 105.19 103.04 1u38 n GLY 55 Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1u38 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u38 n GLY 56 N 0.00 -1.94 0.19 -0.02 0.00 -0.90 -4.75 105.19 97.77 1u38 n GLY 56 Ca 0.00 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.65 1u38 n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u38 h PRO 57 N 0.00 0.00 -0.04 1.61 0.13 -1.87 -2.63 132.00 129.21 1u38 h PRO 57 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1u38 h PRO 57 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1u38 h PRO 57 CO 0.00 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 177.78 1u38 h ALA 58 N 2.16 0.05 0.10 -0.56 0.00 -1.76 -1.42 119.26 117.84 1u38 h ALA 58 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 1u38 h ALA 58 Cb 0.39 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.19 1u38 h ALA 58 CO 0.00 -0.34 -1.18 1.49 0.00 0.00 0.00 179.25 179.22 1u38 h GLU 59 N -0.14 0.62 -0.18 0.00 4.22 -1.71 -3.25 114.58 114.14 1u38 h GLU 59 Ca 0.01 -0.80 0.05 0.00 0.08 0.00 0.00 59.36 58.70 1u38 h GLU 59 Cb 0.21 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1u38 h GLU 59 CO -0.00 1.36 0.13 0.87 -2.18 0.00 0.00 179.01 179.20 1u38 h LYS 60 N 0.25 0.00 0.20 1.92 1.57 -1.48 -3.08 116.57 115.95 1u38 h LYS 60 Ca -0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1u38 h LYS 60 Cb 1.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.17 1u38 h LYS 60 CO 0.23 0.00 -0.10 1.03 -0.57 0.00 0.00 179.45 180.04 1u38 h SER 61 N 0.00 -0.23 0.00 0.86 0.87 -1.29 -3.48 113.55 110.28 1u38 h SER 61 Ca 0.09 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1u38 h SER 61 Cb 0.35 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1u38 h SER 61 CO -0.00 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 176.83 1u38 n GLY 62 N 0.21 2.18 0.26 5.77 0.00 -1.17 -4.90 105.19 107.54 1u38 n GLY 62 Ca -0.03 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.72 1u38 n GLY 62 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1u38 h LYS 63 N 0.00 0.00 -5.34 1.61 -0.00 -1.91 -3.39 116.57 107.55 1u38 h LYS 63 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 60.65 60.03 1u38 h LYS 63 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 32.23 32.10 1u38 h LYS 63 CO 0.00 0.07 -0.02 -0.51 -0.00 0.00 0.00 179.45 178.98 1u38 s LEU 64 N -8.56 4.09 -0.05 7.07 1.43 -1.26 -4.99 118.68 116.40 1u38 s LEU 64 Ca -0.04 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1u38 s LEU 64 Cb 0.16 -2.65 0.02 0.00 0.03 0.00 0.00 46.19 43.75 1u38 s LEU 64 CO 0.65 -0.31 -0.06 0.20 0.23 0.00 0.00 176.35 177.05 1u38 s ASN 65 N 1.58 1.12 0.32 2.29 0.01 -1.26 -4.84 114.94 114.15 1u38 s ASN 65 Ca 0.21 -0.17 -0.26 0.00 -0.71 0.00 0.00 52.86 51.93 1u38 s ASN 65 Cb -0.16 -0.53 -0.14 0.00 0.41 0.00 0.00 41.25 40.83 1u38 s ASN 65 CO 0.10 -0.03 0.69 -0.38 -1.51 0.00 0.00 177.10 175.97 1u38 n ILE 66 N 3.95 1.88 -0.25 0.60 2.08 -1.26 -2.88 119.36 123.47 1u38 n ILE 66 Ca -0.25 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.56 1u38 n ILE 66 Cb 0.51 -0.54 0.00 0.00 -0.75 0.00 0.00 39.64 38.86 1u38 n ILE 66 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1u38 n GLY 67 N 1.66 0.87 3.83 7.39 0.00 -0.34 -5.01 105.19 113.58 1u38 n GLY 67 Ca 0.12 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1u38 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u38 s ASP 68 N -2.05 5.47 -0.22 1.61 1.01 -1.14 -4.90 116.67 116.45 1u38 s ASP 68 Ca 0.00 -0.31 -0.03 0.00 0.71 0.00 0.00 52.55 52.92 1u38 s ASP 68 Cb 0.00 -1.29 -0.00 0.00 1.01 0.00 0.00 42.92 42.63 1u38 s ASP 68 CO 0.00 -0.12 -0.06 -1.10 0.21 0.00 0.00 175.17 174.09 1u38 s GLN 69 N -3.88 3.31 -0.70 8.23 -1.52 -0.68 -1.23 119.66 123.18 1u38 s GLN 69 Ca 0.35 -0.66 -0.21 0.00 -1.95 0.00 0.00 55.36 52.89 1u38 s GLN 69 Cb -0.07 -2.95 0.09 0.00 -0.22 0.00 0.00 33.01 29.86 1u38 s GLN 69 CO 0.25 -0.21 0.95 0.42 -0.25 0.00 0.00 175.29 176.46 1u38 s ILE 70 N 1.45 4.51 0.04 1.08 1.01 -1.19 0.50 121.20 128.59 1u38 s ILE 70 Ca 0.06 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.76 1u38 s ILE 70 Cb -0.14 -4.67 -0.10 0.00 0.01 0.00 0.00 42.46 37.56 1u38 s ILE 70 CO -0.05 -1.41 1.30 0.24 0.00 0.00 0.00 174.94 175.03 1u38 h MET 71 N 9.33 -0.62 -4.40 2.79 2.86 -0.59 -3.39 114.93 120.91 1u38 h MET 71 Ca -0.19 0.04 -0.24 0.00 -2.06 0.00 0.00 59.70 57.25 1u38 h MET 71 Cb 1.06 0.14 -0.21 0.00 0.06 0.00 0.00 31.60 32.65 1u38 h MET 71 CO 1.15 -0.42 -0.72 -1.54 1.06 0.00 0.00 176.91 176.44 1u38 s SER 72 N -3.20 0.68 -0.21 1.22 1.04 -1.05 -0.07 113.70 112.11 1u38 s SER 72 Ca -0.10 -0.53 -0.00 0.00 0.48 0.00 0.00 55.95 55.80 1u38 s SER 72 Cb 0.02 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.21 1u38 s SER 72 CO 0.32 -0.23 -0.14 -0.63 0.98 0.00 0.00 173.24 173.54 1u38 s ILE 73 N -1.39 2.47 -1.48 -1.02 1.01 -0.78 0.02 121.20 120.03 1u38 s ILE 73 Ca -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1u38 s ILE 73 Cb -0.10 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1u38 s ILE 73 CO -0.00 0.40 0.00 0.59 0.00 0.00 0.00 174.94 175.93 1u38 n ASN 74 N 4.65 -4.94 0.00 3.58 3.02 0.18 -0.71 115.26 121.04 1u38 n ASN 74 Ca -0.19 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1u38 n ASN 74 Cb 0.49 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 1u38 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u38 n GLY 75 N -0.86 0.85 3.31 7.41 0.00 -1.26 -5.04 105.19 109.59 1u38 n GLY 75 Ca -0.20 -0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.30 1u38 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u38 s THR 76 N -2.00 5.28 0.12 2.61 2.01 0.11 -5.04 115.64 118.74 1u38 s THR 76 Ca 0.00 -1.93 -0.32 0.00 0.31 0.00 0.00 61.69 59.75 1u38 s THR 76 Cb 0.00 -4.34 -0.12 0.00 0.01 0.00 0.00 72.50 68.05 1u38 s THR 76 CO 0.00 -0.93 1.76 -1.20 -0.69 0.00 0.00 174.62 173.56 1u38 n SER 77 N 4.69 3.73 -0.02 3.53 7.64 -1.26 -1.86 113.62 130.07 1u38 n SER 77 Ca -0.02 1.02 0.02 0.00 1.01 0.00 0.00 58.87 60.90 1u38 n SER 77 Cb 0.43 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.04 1u38 n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1u38 n LEU 78 N 4.89 0.00 -4.54 -3.43 4.77 0.90 -4.84 117.00 114.76 1u38 n LEU 78 Ca 0.18 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.02 1u38 n LEU 78 Cb 0.34 0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1u38 n LEU 78 CO 0.66 0.10 1.34 0.52 -1.33 0.00 0.00 177.39 178.67 1u38 n VAL 79 N -2.09 0.00 0.00 4.08 0.31 -1.21 -1.45 118.33 117.97 1u38 n VAL 79 Ca -0.08 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1u38 n VAL 79 Cb 0.51 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1u38 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u38 n GLY 80 N 6.46 4.39 3.87 2.92 0.00 0.25 -4.91 105.19 118.16 1u38 n GLY 80 Ca 0.49 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1u38 n GLY 80 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1u38 s LEU 81 N 0.00 3.32 0.00 0.99 2.34 -0.53 -5.04 118.68 119.76 1u38 s LEU 81 Ca 0.00 1.35 -0.12 0.00 0.06 0.00 0.00 54.13 55.42 1u38 s LEU 81 Cb 0.00 -4.37 0.18 0.00 -0.56 0.00 0.00 46.19 41.43 1u38 s LEU 81 CO 0.00 -0.81 0.51 -0.81 -1.06 0.00 0.00 176.35 174.18 1u38 n PRO 82 N -2.60 -2.77 -0.00 1.48 -0.04 -1.26 -4.81 135.00 125.00 1u38 n PRO 82 Ca 0.05 -0.83 -0.17 0.00 -0.04 0.00 0.00 63.50 62.51 1u38 n PRO 82 Cb 0.54 -0.90 -0.13 0.00 -0.04 0.00 0.00 33.50 32.97 1u38 n PRO 82 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1u38 h LEU 83 N 0.00 0.32 -0.83 1.53 7.12 -1.96 -3.07 115.31 118.42 1u38 h LEU 83 Ca -0.21 -0.89 0.12 0.00 0.13 0.00 0.00 57.88 57.04 1u38 h LEU 83 Cb 0.66 -0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.61 1u38 h LEU 83 CO 0.13 1.17 0.44 0.28 -0.13 0.00 0.00 178.44 180.34 1u38 h SER 84 N -0.49 0.58 -0.06 1.25 0.02 -1.97 -0.23 113.55 112.64 1u38 h SER 84 Ca -0.07 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1u38 h SER 84 Cb 1.29 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1u38 h SER 84 CO 0.09 0.29 0.03 0.74 -1.14 0.00 0.00 176.83 176.84 1u38 h THR 85 N 0.69 1.09 -0.46 -2.27 2.02 -1.94 -2.32 112.91 109.72 1u38 h THR 85 Ca 0.43 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.39 1u38 h THR 85 Cb 0.51 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 1u38 h THR 85 CO -0.31 0.08 0.20 0.00 0.37 0.00 0.00 175.52 175.86 1u38 h GLN 87 N 0.40 0.58 -0.69 0.00 4.20 -0.90 0.22 115.11 118.92 1u38 h GLN 87 Ca 0.21 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1u38 h GLN 87 Cb 0.17 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1u38 h GLN 87 CO -0.18 0.38 0.40 0.66 -0.67 0.00 0.00 178.83 179.42 1u38 h SER 88 N 0.60 0.83 -0.14 1.46 4.64 -0.69 0.14 113.55 120.39 1u38 h SER 88 Ca 0.43 -0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.72 1u38 h SER 88 Cb 0.58 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1u38 h SER 88 CO -0.35 0.65 0.02 0.40 -0.87 0.00 0.00 176.83 176.68 1u38 h ILE 89 N 0.95 0.92 -0.14 0.95 1.08 0.25 -0.57 117.51 120.96 1u38 h ILE 89 Ca 0.25 -0.02 -0.09 0.00 -0.39 0.00 0.00 64.86 64.60 1u38 h ILE 89 Cb -0.02 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1u38 h ILE 89 CO -0.04 0.01 -0.28 0.40 -0.69 0.00 0.00 178.15 177.55 1u38 h ILE 90 N 0.07 1.37 -0.01 -0.67 2.04 -1.07 -2.98 117.51 116.26 1u38 h ILE 90 Ca 0.06 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1u38 h ILE 90 Cb 0.06 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1u38 h ILE 90 CO -0.09 0.46 0.08 0.11 0.00 0.00 0.00 178.15 178.70 1u38 h LYS 91 N 0.04 0.00 0.00 2.37 1.57 -0.58 0.17 116.57 120.14 1u38 h LYS 91 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1u38 h LYS 91 Cb 0.87 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1u38 h LYS 91 CO 0.06 0.00 -0.07 0.78 -0.57 0.00 0.00 179.45 179.65 1u38 h GLY 92 N 0.00 0.00 -4.38 3.86 0.00 -0.93 -3.30 103.07 98.32 1u38 h GLY 92 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 1u38 h GLY 92 CO -0.00 0.00 0.91 1.47 0.00 0.00 0.00 176.54 178.92 1u38 n LEU 93 N -3.12 7.58 -0.14 3.11 -0.00 0.05 -4.49 117.00 119.98 1u38 n LEU 93 Ca 0.04 -4.51 0.13 0.00 -0.00 0.00 0.00 56.01 51.67 1u38 n LEU 93 Cb 0.55 -1.00 0.48 0.00 -0.00 0.00 0.00 43.42 43.45 1u38 n LEU 93 CO 0.35 1.60 0.74 1.17 -0.00 0.00 0.00 177.39 181.25 1u38 n LYS 94 N -0.77 0.60 -2.70 1.47 4.81 -1.24 -4.11 118.16 116.22 1u38 n LYS 94 Ca 0.59 -0.28 -0.25 0.00 -0.87 0.00 0.00 58.31 57.50 1u38 n LYS 94 Cb 0.50 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 34.04 1u38 n LYS 94 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1u38 n ASN 95 N -0.95 4.18 -4.17 3.14 4.13 -1.26 -1.75 115.26 118.58 1u38 n ASN 95 Ca 0.12 -3.60 -0.10 0.00 1.68 0.00 0.00 54.58 52.68 1u38 n ASN 95 Cb 0.31 -0.51 -0.10 0.00 -1.54 0.00 0.00 39.78 37.94 1u38 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u38 s GLN 96 N -3.43 0.84 -0.00 3.52 -2.07 -1.26 -4.96 119.66 112.30 1u38 s GLN 96 Ca 0.46 -1.34 0.22 0.00 -1.82 0.00 0.00 55.36 52.88 1u38 s GLN 96 Cb 0.36 -0.16 -0.23 0.00 -1.09 0.00 0.00 33.01 31.89 1u38 s GLN 96 CO -0.15 -0.04 0.72 0.45 -1.32 0.00 0.00 175.29 174.95 1u38 n SER 97 N -0.04 0.45 -3.92 12.60 2.88 -1.26 -3.96 113.62 120.37 1u38 n SER 97 Ca -0.12 -0.36 -0.11 0.00 -1.33 0.00 0.00 58.87 56.96 1u38 n SER 97 Cb 0.61 1.44 -0.13 0.00 -0.75 0.00 0.00 64.21 65.38 1u38 n SER 97 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1u38 s ARG 98 N -3.29 0.15 -0.29 -1.46 3.52 -1.26 -0.90 118.95 115.41 1u38 s ARG 98 Ca -0.01 -0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 1u38 s ARG 98 Cb 0.15 0.01 0.08 0.00 -1.56 0.00 0.00 34.95 33.63 1u38 s ARG 98 CO 0.88 -0.01 0.01 0.08 -0.81 0.00 0.00 175.30 175.45 1u38 s VAL 99 N -0.57 1.69 -0.65 7.11 1.01 0.18 -4.95 120.40 124.23 1u38 s VAL 99 Ca -0.06 -1.67 -0.18 0.00 0.00 0.00 0.00 61.98 60.07 1u38 s VAL 99 Cb -0.04 -2.11 0.13 0.00 0.00 0.00 0.00 36.38 34.36 1u38 s VAL 99 CO -0.00 -0.39 0.72 -0.75 0.00 0.00 0.00 175.10 174.68 1u38 s LYS 100 N 1.25 3.17 0.17 2.72 2.20 -1.26 -0.95 119.74 127.05 1u38 s LYS 100 Ca 0.03 -1.60 0.07 0.00 -0.36 0.00 0.00 55.97 54.11 1u38 s LYS 100 Cb -0.19 -4.36 -0.04 0.00 -1.51 0.00 0.00 37.83 31.74 1u38 s LYS 100 CO -0.11 -1.49 0.04 -0.51 -0.36 0.00 0.00 175.35 172.91 1u38 s LEU 101 N 2.13 3.44 -0.40 5.43 1.43 0.12 0.51 118.68 131.35 1u38 s LEU 101 Ca 0.13 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1u38 s LEU 101 Cb -0.21 -2.08 0.11 0.00 0.03 0.00 0.00 46.19 44.04 1u38 s LEU 101 CO 0.02 0.08 0.13 0.20 0.23 0.00 0.00 176.35 177.01 1u38 s ASN 102 N -3.00 4.75 0.42 2.29 0.02 0.10 0.15 114.94 119.67 1u38 s ASN 102 Ca 0.28 -2.35 0.06 0.00 -1.02 0.00 0.00 52.86 49.84 1u38 s ASN 102 Cb -0.09 -1.66 -0.07 0.00 0.02 0.00 0.00 41.25 39.45 1u38 s ASN 102 CO 0.20 -0.37 0.04 0.27 0.02 0.00 0.00 177.10 177.27 1u38 s ILE 103 N 0.64 1.97 -0.07 0.60 -4.36 -0.87 0.19 121.20 119.30 1u38 s ILE 103 Ca 0.12 -1.94 0.05 0.00 -0.26 0.00 0.00 60.65 58.62 1u38 s ILE 103 Cb -0.21 -2.91 -0.00 0.00 1.25 0.00 0.00 42.46 40.59 1u38 s ILE 103 CO -0.06 0.00 -0.23 0.54 0.24 0.00 0.00 174.94 175.44 1u38 s VAL 104 N -2.71 1.91 -2.00 8.37 0.11 0.18 0.10 120.40 126.37 1u38 s VAL 104 Ca 0.33 -0.96 0.32 0.00 -2.93 0.00 0.00 61.98 58.74 1u38 s VAL 104 Cb 0.08 -1.64 0.91 0.00 -1.53 0.00 0.00 36.38 34.20 1u38 s VAL 104 CO 0.17 0.53 2.22 0.54 -3.33 0.00 0.00 175.10 175.24