#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 1.32 -3.58 -1.84 3.01 -1.26 -0.30 117.46 114.80 1u38 n PHE 18 Ca 0.00 0.41 -0.02 0.00 1.01 0.00 0.00 57.45 58.84 1u38 n PHE 18 Cb 0.00 -2.14 -0.05 0.00 -0.01 0.00 0.00 39.48 37.28 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 -3.84 0.47 0.11 -1.08 0.00 0.33 -4.78 119.74 110.95 1u38 s LYS 19 Ca 0.75 0.97 -0.31 0.00 0.00 0.00 0.00 55.97 57.38 1u38 s LYS 19 Cb -0.32 0.34 -0.08 0.00 0.00 0.00 0.00 37.83 37.78 1u38 s LYS 19 CO 0.48 -0.13 1.36 -0.51 0.00 0.00 0.00 175.35 176.56 1u38 s ASP 20 N 2.00 6.86 -0.15 0.03 1.01 -1.26 -1.94 116.67 123.21 1u38 s ASP 20 Ca -0.07 2.28 -0.03 0.00 0.71 0.00 0.00 52.55 55.44 1u38 s ASP 20 Cb -0.06 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1u38 s ASP 20 CO -0.18 -0.63 -0.06 -0.69 0.21 0.00 0.00 175.17 173.83 1u38 s VAL 21 N 1.12 3.67 -0.29 -1.27 1.01 0.33 -4.94 120.40 120.02 1u38 s VAL 21 Ca 0.64 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1u38 s VAL 21 Cb -0.36 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.51 1u38 s VAL 21 CO 0.30 0.49 -0.00 0.12 0.00 0.00 0.00 175.10 176.01 1u38 s PHE 22 N 0.45 3.03 -0.48 5.22 5.36 -1.25 0.18 117.98 130.50 1u38 s PHE 22 Ca -0.05 -2.37 -0.08 0.00 -0.96 0.00 0.00 56.93 53.46 1u38 s PHE 22 Cb -0.15 -2.21 0.12 0.00 -0.34 0.00 0.00 43.02 40.45 1u38 s PHE 22 CO 0.03 -0.88 0.34 0.42 -1.46 0.00 0.00 175.22 173.67 1u38 s ILE 23 N 1.17 4.13 -0.43 3.12 -1.09 -0.75 -4.89 121.20 122.46 1u38 s ILE 23 Ca 0.02 -1.86 -0.23 0.00 -2.23 0.00 0.00 60.65 56.35 1u38 s ILE 23 Cb -0.19 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1u38 s ILE 23 CO -0.09 -0.78 0.75 -1.61 -1.23 0.00 0.00 174.94 171.98 1u38 s GLU 24 N 1.28 3.45 0.00 2.79 2.02 -1.26 -1.32 118.70 125.65 1u38 s GLU 24 Ca 0.07 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 54.97 1u38 s GLU 24 Cb -0.25 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.06 1u38 s GLU 24 CO -0.01 -1.04 0.00 0.36 0.02 0.00 0.00 175.26 174.58 1u38 n LYS 25 N 6.57 0.59 -3.80 1.61 0.00 -0.39 -4.97 118.16 117.77 1u38 n LYS 25 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.09 1u38 n LYS 25 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.48 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 -1.32 2.36 0.74 -1.58 1.11 -1.26 -4.24 119.66 115.47 1u38 s GLN 26 Ca 0.00 -1.77 -0.12 0.00 0.01 0.00 0.00 55.36 53.49 1u38 s GLN 26 Cb 0.00 -2.19 0.04 0.00 -1.01 0.00 0.00 33.01 29.85 1u38 s GLN 26 CO 0.00 -0.32 1.09 0.15 0.01 0.00 0.00 175.29 176.23 1u38 s LYS 27 N -4.13 2.40 -1.28 2.91 1.02 -1.26 -3.13 119.74 116.28 1u38 s LYS 27 Ca 0.42 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.63 1u38 s LYS 27 Cb -0.01 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1u38 s LYS 27 CO 0.25 -1.54 0.00 0.41 -0.92 0.00 0.00 175.35 173.55 1u38 n GLY 28 N -1.07 1.20 1.00 -3.33 0.00 -0.59 -4.81 105.19 97.60 1u38 n GLY 28 Ca 0.09 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.48 1.25 0.00 1.61 1.02 -1.18 -5.02 120.64 116.84 1u38 n GLU 29 Ca -0.12 -2.98 0.00 0.00 -0.02 0.00 0.00 57.16 54.03 1u38 n GLU 29 Cb 0.54 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1u38 n GLU 29 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1u38 n ILE 30 N -0.61 0.00 0.00 -3.67 -5.35 -1.26 -4.41 119.36 104.06 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 -0.75 7.28 7.94 -1.26 -4.79 117.00 125.43 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 0.61 3.28 -3.96 0.00 -1.26 -2.08 105.19 101.78 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 -2.50 0.08 -0.15 1.61 -7.23 -1.26 0.15 120.40 111.10 1u38 s VAL 33 Ca 0.00 -0.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.55 1u38 s VAL 33 Cb 0.00 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.93 1u38 s VAL 33 CO 0.00 -0.35 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.56 1u38 s VAL 34 N -2.90 1.93 -0.02 1.32 1.01 0.26 -4.89 120.40 117.11 1u38 s VAL 34 Ca -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1u38 s VAL 34 Cb 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1u38 s VAL 34 CO -0.06 0.52 -0.08 0.27 0.00 0.00 0.00 175.10 175.75 1u38 s ILE 35 N 1.08 3.54 0.26 2.22 -4.36 -1.26 0.96 121.20 123.65 1u38 s ILE 35 Ca -0.01 -0.70 0.01 0.00 -0.26 0.00 0.00 60.65 59.69 1u38 s ILE 35 Cb -0.14 -2.49 -0.05 0.00 1.25 0.00 0.00 42.46 41.03 1u38 s ILE 35 CO -0.07 0.48 0.11 0.68 0.24 0.00 0.00 174.94 176.38 1u38 s VAL 36 N -0.90 0.46 0.29 8.37 -7.23 0.43 -4.83 120.40 117.00 1u38 s VAL 36 Ca 0.15 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 1u38 s VAL 36 Cb -0.11 -2.60 -0.11 0.00 0.56 0.00 0.00 36.38 34.12 1u38 s VAL 36 CO 0.05 0.00 1.59 -1.61 -0.31 0.00 0.00 175.10 174.82 1u38 s GLU 37 N -4.01 4.12 -1.15 4.82 2.02 -1.26 0.83 118.70 124.07 1u38 s GLU 37 Ca 0.38 2.58 -0.21 0.00 0.02 0.00 0.00 54.97 57.73 1u38 s GLU 37 Cb 0.07 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1u38 s GLU 37 CO 0.14 -0.63 1.77 -1.54 0.02 0.00 0.00 175.26 175.02 1u38 s SER 38 N 0.48 6.00 0.00 -0.19 1.04 -1.26 -4.62 113.70 115.15 1u38 s SER 38 Ca 0.63 -1.76 0.28 0.00 0.48 0.00 0.00 55.95 55.58 1u38 s SER 38 Cb -0.48 -2.58 1.01 0.00 0.10 0.00 0.00 66.02 64.08 1u38 s SER 38 CO 0.48 -2.03 1.75 0.61 0.98 0.00 0.00 173.24 175.04 1u38 n GLY 39 N 6.03 -1.26 0.00 7.32 0.00 -1.26 -4.58 105.19 111.44 1u38 n GLY 39 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.34 -0.91 -0.06 1.61 4.27 -1.26 -4.65 117.44 115.09 1u38 n TRP 40 Ca 0.09 0.00 0.25 0.00 -3.89 0.00 0.00 57.50 53.95 1u38 n TRP 40 Cb 0.32 0.00 0.69 0.00 -1.36 0.00 0.00 31.31 30.96 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 -0.14 0.00 -1.15 -1.67 0.00 -2.04 -3.44 103.07 94.64 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 1.44 0.00 0.00 0.00 176.54 177.98 1u38 n SER 42 N -3.74 -1.90 -0.30 0.19 7.64 -1.26 -4.96 113.62 109.29 1u38 n SER 42 Ca 0.14 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.11 1u38 n SER 42 Cb 0.93 -0.48 0.24 0.00 -1.01 0.00 0.00 64.21 63.90 1u38 n SER 42 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1u38 h ILE 43 N 0.00 0.69 -1.66 0.44 2.04 -1.94 -3.35 117.51 113.73 1u38 h ILE 43 Ca 0.00 -0.20 -0.28 0.00 1.00 0.00 0.00 64.86 65.38 1u38 h ILE 43 Cb 0.95 0.04 -0.27 0.00 -0.74 0.00 0.00 36.82 36.80 1u38 h ILE 43 CO 0.00 0.11 -0.62 -0.76 0.00 0.00 0.00 178.15 176.88 1u38 s LEU 44 N -10.38 -0.48 -0.41 1.44 1.02 -1.26 -5.12 118.68 103.49 1u38 s LEU 44 Ca -0.12 -1.40 -0.40 0.00 0.02 0.00 0.00 54.13 52.24 1u38 s LEU 44 Cb 0.22 0.97 -0.15 0.00 0.02 0.00 0.00 46.19 47.26 1u38 s LEU 44 CO 0.78 -0.23 2.10 -2.65 0.02 0.00 0.00 176.35 176.38 1u38 n PRO 45 N 4.23 0.58 0.00 1.29 -0.02 -1.26 -4.65 135.00 135.17 1u38 n PRO 45 Ca 0.12 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1u38 n PRO 45 Cb 0.49 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 6.53 0.00 -3.75 3.45 5.66 -1.26 0.15 114.28 125.06 1u38 n THR 46 Ca 0.45 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.37 1u38 n THR 46 Cb 0.09 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.85 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 0.00 0.00 -0.05 1.08 -7.23 -1.26 -4.19 120.40 108.75 1u38 s VAL 47 Ca 0.00 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1u38 s VAL 47 Cb 0.00 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 35.20 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 -3.83 0.61 -0.73 -0.62 1.01 0.24 -3.34 121.20 114.54 1u38 s ILE 48 Ca 0.09 -0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.32 1u38 s ILE 48 Cb -0.05 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 1u38 s ILE 48 CO 0.02 0.24 1.87 -0.63 0.00 0.00 0.00 174.94 176.44 1u38 s ILE 49 N 0.91 3.41 -2.75 2.92 1.01 -0.17 -0.43 121.20 126.11 1u38 s ILE 49 Ca -0.11 -0.02 0.25 0.00 0.00 0.00 0.00 60.65 60.77 1u38 s ILE 49 Cb -0.14 -4.02 0.35 0.00 0.01 0.00 0.00 42.46 38.66 1u38 s ILE 49 CO 0.00 -0.97 1.46 0.00 0.00 0.00 0.00 174.94 175.43 1u38 n ALA 50 N 13.02 2.50 -3.55 9.38 0.00 0.27 0.19 120.51 142.32 1u38 n ALA 50 Ca 0.27 -0.61 -0.07 0.00 0.00 0.00 0.00 53.44 53.03 1u38 n ALA 50 Cb 0.50 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1u38 n ALA 50 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1u38 s ASN 51 N -1.94 -0.28 -0.21 0.00 -0.87 -1.08 -4.93 114.94 105.62 1u38 s ASN 51 Ca 0.33 -0.04 -0.16 0.00 -1.57 0.00 0.00 52.86 51.42 1u38 s ASN 51 Cb 0.20 0.32 0.06 0.00 -0.02 0.00 0.00 41.25 41.82 1u38 s ASN 51 CO 0.31 -0.54 0.54 -0.04 -2.57 0.00 0.00 177.10 174.81 1u38 s MET 52 N -2.93 0.58 -0.74 -0.60 -1.94 -1.26 0.90 119.30 113.31 1u38 s MET 52 Ca 0.07 0.87 -0.26 0.00 -1.71 0.00 0.00 55.69 54.67 1u38 s MET 52 Cb -0.01 0.18 -0.03 0.00 2.01 0.00 0.00 34.83 36.98 1u38 s MET 52 CO -0.07 -0.12 1.86 -1.64 -0.01 0.00 0.00 175.02 175.05 1u38 s MET 53 N 0.91 2.64 -1.08 2.03 -1.94 0.12 -4.87 119.30 117.11 1u38 s MET 53 Ca -0.05 0.18 -0.27 0.00 -1.71 0.00 0.00 55.69 53.85 1u38 s MET 53 Cb -0.05 -4.67 -0.22 0.00 2.01 0.00 0.00 34.83 31.89 1u38 s MET 53 CO -0.08 -2.95 2.12 -1.01 -0.01 0.00 0.00 175.02 173.09 1u38 s HIS 54 N 9.26 1.22 0.00 -0.03 3.76 -1.26 -1.71 115.29 126.52 1u38 s HIS 54 Ca 0.67 2.31 0.00 0.00 -0.15 0.00 0.00 55.06 57.88 1u38 s HIS 54 Cb -0.10 -3.33 0.00 0.00 1.11 0.00 0.00 32.58 30.27 1u38 s HIS 54 CO 0.11 -0.68 0.00 0.41 -0.85 0.00 0.00 174.74 173.73 1u38 n GLY 55 N 6.16 0.53 0.00 -2.22 0.00 -1.26 -5.06 105.19 103.34 1u38 n GLY 55 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.22 0.17 -0.02 0.00 -0.70 -4.78 105.19 98.65 1u38 n GLY 56 Ca 0.00 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.02 1.61 0.13 -1.85 -2.48 132.00 129.38 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 -0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1u38 h ALA 58 N 2.18 0.03 0.09 -0.56 0.00 -1.69 -1.60 119.26 117.71 1u38 h ALA 58 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 1u38 h ALA 58 Cb 0.37 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1u38 h ALA 58 CO 0.00 -0.29 -1.18 1.49 0.00 0.00 0.00 179.25 179.27 1u38 h GLU 59 N -0.29 0.55 -0.37 0.00 4.22 -1.74 -3.20 114.58 113.75 1u38 h GLU 59 Ca 0.01 -0.72 0.04 0.00 0.08 0.00 0.00 59.36 58.76 1u38 h GLU 59 Cb 0.36 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1u38 h GLU 59 CO 0.00 1.31 0.16 0.87 -2.18 0.00 0.00 179.01 179.17 1u38 h LYS 60 N 0.26 0.32 0.14 1.92 1.57 -1.49 -3.22 116.57 116.07 1u38 h LYS 60 Ca -0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1u38 h LYS 60 Cb 1.85 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.09 1u38 h LYS 60 CO 0.22 0.21 -0.07 0.77 -0.57 0.00 0.00 179.45 180.01 1u38 h SER 61 N 0.33 -0.17 0.00 0.86 0.02 -1.38 -3.48 113.55 109.73 1u38 h SER 61 Ca 0.17 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1u38 h SER 61 Cb 0.11 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1u38 h SER 61 CO -0.14 -0.12 0.00 0.61 -1.14 0.00 0.00 176.83 176.04 1u38 n GLY 62 N -1.10 0.56 0.14 -3.77 0.00 -1.21 -4.94 105.19 94.86 1u38 n GLY 62 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1u38 n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u38 h LYS 63 N 2.56 0.00 -5.28 1.61 1.79 -1.91 -3.42 116.57 111.92 1u38 h LYS 63 Ca 0.00 -0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1u38 h LYS 63 Cb 0.00 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.50 1u38 h LYS 63 CO 0.00 0.62 -0.54 -0.51 -1.08 0.00 0.00 179.45 177.93 1u38 s LEU 64 N -7.62 3.92 -0.04 2.94 1.43 -1.26 -4.96 118.68 113.10 1u38 s LEU 64 Ca -0.01 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1u38 s LEU 64 Cb 0.13 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.36 1u38 s LEU 64 CO 0.76 0.18 0.10 0.20 0.23 0.00 0.00 176.35 177.82 1u38 s ASN 65 N 0.36 -0.10 0.27 2.29 0.01 -1.26 -4.82 114.94 111.69 1u38 s ASN 65 Ca 0.04 0.21 -0.28 0.00 -0.71 0.00 0.00 52.86 52.12 1u38 s ASN 65 Cb -0.12 0.19 -0.15 0.00 0.41 0.00 0.00 41.25 41.58 1u38 s ASN 65 CO -0.00 -0.06 0.83 -0.38 -1.51 0.00 0.00 177.10 175.98 1u38 n ILE 66 N 3.25 1.99 -0.31 0.60 5.41 -1.26 -2.80 119.36 126.24 1u38 n ILE 66 Ca -0.15 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.10 1u38 n ILE 66 Cb 0.58 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 1u38 n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u38 n GLY 67 N 1.49 0.82 3.65 7.39 0.00 0.13 -4.99 105.19 113.69 1u38 n GLY 67 Ca 0.12 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.21 4.66 -0.24 1.61 1.11 -1.12 -4.90 116.67 115.58 1u38 s ASP 68 Ca 0.00 -0.51 -0.03 0.00 0.18 0.00 0.00 52.55 52.18 1u38 s ASP 68 Cb 0.00 -0.93 0.01 0.00 1.07 0.00 0.00 42.92 43.06 1u38 s ASP 68 CO 0.00 0.05 -0.04 -1.10 1.18 0.00 0.00 175.17 175.26 1u38 s GLN 69 N -3.30 3.15 -0.47 8.23 -1.52 -0.95 -1.00 119.66 123.80 1u38 s GLN 69 Ca 0.29 -0.78 -0.21 0.00 -1.95 0.00 0.00 55.36 52.72 1u38 s GLN 69 Cb -0.08 -3.04 0.04 0.00 -0.22 0.00 0.00 33.01 29.71 1u38 s GLN 69 CO 0.19 -0.30 0.68 0.42 -0.25 0.00 0.00 175.29 176.03 1u38 s ILE 70 N 1.43 4.78 0.00 1.08 1.01 -1.21 0.12 121.20 128.41 1u38 s ILE 70 Ca 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 1u38 s ILE 70 Cb -0.15 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 1u38 s ILE 70 CO -0.03 -0.72 0.75 0.24 0.00 0.00 0.00 174.94 175.17 1u38 h MET 71 N 8.97 -0.22 -5.13 2.79 2.86 -1.49 -3.38 114.93 119.33 1u38 h MET 71 Ca -0.26 0.01 -0.35 0.00 -2.06 0.00 0.00 59.70 57.04 1u38 h MET 71 Cb 1.09 0.05 -0.17 0.00 0.06 0.00 0.00 31.60 32.63 1u38 h MET 71 CO 0.94 -0.14 -0.74 -1.54 1.06 0.00 0.00 176.91 176.49 1u38 s SER 72 N -2.90 1.69 -0.24 1.22 1.04 -1.22 -1.90 113.70 111.40 1u38 s SER 72 Ca -0.03 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.56 1u38 s SER 72 Cb 0.00 -0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.16 1u38 s SER 72 CO 0.10 -0.24 -0.06 -0.63 0.98 0.00 0.00 173.24 173.39 1u38 s ILE 73 N -2.53 1.67 -1.44 -1.02 1.01 -0.59 -1.77 121.20 116.54 1u38 s ILE 73 Ca 0.09 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1u38 s ILE 73 Cb -0.02 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1u38 s ILE 73 CO 0.01 -0.10 0.00 0.59 0.00 0.00 0.00 174.94 175.44 1u38 n ASN 74 N 4.62 -4.91 0.00 3.58 3.02 0.11 -1.99 115.26 119.67 1u38 n ASN 74 Ca -0.12 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1u38 n ASN 74 Cb 0.44 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 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 -1.01 3.28 3.55 7.41 0.00 -1.26 -5.02 105.19 112.14 1u38 n GLY 75 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.89 3.71 0.07 2.61 2.01 -0.84 -4.98 115.64 115.33 1u38 s THR 76 Ca 0.00 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 1u38 s THR 76 Cb 0.00 -4.76 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 1u38 s THR 76 CO 0.00 -1.68 1.08 -0.94 -0.69 0.00 0.00 174.62 172.39 1u38 s SER 77 N 5.10 7.26 -0.08 3.53 1.04 -1.26 -1.54 113.70 127.74 1u38 s SER 77 Ca 0.46 1.89 0.12 0.00 0.48 0.00 0.00 55.95 58.90 1u38 s SER 77 Cb -0.06 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.67 1u38 s SER 77 CO 0.06 -0.31 1.09 0.00 0.98 0.00 0.00 173.24 175.06 1u38 n LEU 78 N 3.49 1.63 -4.56 2.42 -0.00 -0.80 -4.98 117.00 114.20 1u38 n LEU 78 Ca 0.06 -2.39 -0.14 0.00 -0.00 0.00 0.00 56.01 53.55 1u38 n LEU 78 Cb 0.48 -0.28 -0.08 0.00 -0.00 0.00 0.00 43.42 43.54 1u38 n LEU 78 CO 0.54 0.56 1.19 -0.69 -0.00 0.00 0.00 177.39 178.98 1u38 s VAL 79 N -1.92 3.02 0.00 1.47 1.01 -1.25 -0.87 120.40 121.86 1u38 s VAL 79 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1u38 s VAL 79 Cb 0.18 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1u38 s VAL 79 CO 0.02 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1u38 n GLY 80 N 6.69 1.28 3.78 4.51 0.00 0.39 -4.87 105.19 116.96 1u38 n GLY 80 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 1u38 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u38 s LEU 81 N 0.00 3.38 0.00 0.99 1.43 -0.05 -4.96 118.68 119.47 1u38 s LEU 81 Ca 0.00 1.94 -0.08 0.00 -1.03 0.00 0.00 54.13 54.96 1u38 s LEU 81 Cb 0.00 -4.54 0.13 0.00 0.03 0.00 0.00 46.19 41.80 1u38 s LEU 81 CO 0.00 -1.57 0.39 -0.81 0.23 0.00 0.00 176.35 174.60 1u38 n PRO 82 N -2.44 -2.20 -0.02 1.29 -0.04 -1.26 -4.79 135.00 125.55 1u38 n PRO 82 Ca 0.10 -0.64 -0.16 0.00 -0.04 0.00 0.00 63.50 62.76 1u38 n PRO 82 Cb 0.52 -0.66 -0.13 0.00 -0.04 0.00 0.00 33.50 33.20 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 0.25 -0.78 1.53 5.85 -1.94 -2.61 115.31 117.61 1u38 h LEU 83 Ca -0.16 -0.89 0.12 0.00 0.84 0.00 0.00 57.88 57.80 1u38 h LEU 83 Cb 0.49 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 1u38 h LEU 83 CO 0.10 1.11 0.39 0.77 -0.34 0.00 0.00 178.44 180.47 1u38 h SER 84 N -0.58 0.48 0.17 1.25 4.64 -1.96 0.27 113.55 117.83 1u38 h SER 84 Ca -0.06 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1u38 h SER 84 Cb 1.20 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1u38 h SER 84 CO 0.07 0.24 -0.08 0.74 -0.87 0.00 0.00 176.83 176.93 1u38 h THR 85 N 0.61 0.93 -0.14 2.95 2.02 -1.94 -2.44 112.91 114.91 1u38 h THR 85 Ca 0.41 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1u38 h THR 85 Cb 0.51 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1u38 h THR 85 CO -0.32 0.12 -0.06 0.00 0.37 0.00 0.00 175.52 175.63 1u38 h GLN 87 N -0.04 0.32 -0.59 0.00 4.20 -0.48 0.46 115.11 118.98 1u38 h GLN 87 Ca 0.08 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1u38 h GLN 87 Cb 0.15 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1u38 h GLN 87 CO -0.17 0.21 0.38 1.03 -0.67 0.00 0.00 178.83 179.61 1u38 h SER 88 N 0.33 0.69 -0.18 1.46 0.87 -0.84 0.28 113.55 116.15 1u38 h SER 88 Ca 0.42 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.98 1u38 h SER 88 Cb 0.71 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1u38 h SER 88 CO -0.48 0.51 0.05 0.40 -0.53 0.00 0.00 176.83 176.78 1u38 h ILE 89 N 0.81 0.93 -0.14 2.23 1.08 0.77 -1.41 117.51 121.79 1u38 h ILE 89 Ca 0.22 -0.04 -0.17 0.00 -0.39 0.00 0.00 64.86 64.47 1u38 h ILE 89 Cb -0.07 0.80 0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1u38 h ILE 89 CO -0.04 0.02 -0.58 0.40 -0.69 0.00 0.00 178.15 177.26 1u38 h ILE 90 N 0.13 1.33 -0.28 -0.67 2.04 -0.92 -3.08 117.51 116.05 1u38 h ILE 90 Ca 0.08 -1.84 0.08 0.00 1.00 0.00 0.00 64.86 64.18 1u38 h ILE 90 Cb 0.06 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1u38 h ILE 90 CO -0.10 0.57 0.30 0.11 0.00 0.00 0.00 178.15 179.03 1u38 h LYS 91 N 0.31 0.00 0.00 2.37 1.57 -0.25 0.36 116.57 120.93 1u38 h LYS 91 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1u38 h LYS 91 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1u38 h LYS 91 CO 0.12 0.00 0.00 0.78 -0.57 0.00 0.00 179.45 179.78 1u38 h GLY 92 N 0.00 0.00 -4.19 3.86 0.00 -1.16 -3.10 103.07 98.47 1u38 h GLY 92 Ca 0.13 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.95 1u38 h GLY 92 CO -0.00 0.00 0.58 1.04 0.00 0.00 0.00 176.54 178.16 1u38 n LEU 93 N -2.53 6.84 0.08 3.11 4.77 0.13 -4.43 117.00 124.98 1u38 n LEU 93 Ca 0.01 -3.99 -0.01 0.00 -0.03 0.00 0.00 56.01 51.99 1u38 n LEU 93 Cb 0.22 -1.11 -0.05 0.00 -2.33 0.00 0.00 43.42 40.15 1u38 n LEU 93 CO 0.21 1.54 0.14 0.50 -1.33 0.00 0.00 177.39 178.45 1u38 h LYS 94 N 2.37 0.00 -0.63 3.23 3.11 -1.74 -3.33 116.57 119.59 1u38 h LYS 94 Ca 0.43 0.00 -0.42 0.00 -2.81 0.00 0.00 60.65 57.85 1u38 h LYS 94 Cb 0.69 0.00 -0.26 0.00 -1.00 0.00 0.00 32.23 31.65 1u38 h LYS 94 CO 1.05 0.56 -0.17 0.27 -2.81 0.00 0.00 179.45 178.35 1u38 n ASN 95 N -3.16 4.41 -4.83 4.20 0.23 -1.26 -1.54 115.26 113.32 1u38 n ASN 95 Ca -0.03 -3.78 -0.22 0.00 -0.53 0.00 0.00 54.58 50.02 1u38 n ASN 95 Cb 0.83 -0.60 -0.04 0.00 -2.08 0.00 0.00 39.78 37.89 1u38 n ASN 95 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1u38 s GLN 96 N -3.50 2.93 0.00 -3.83 -0.21 -1.25 -4.90 119.66 108.91 1u38 s GLN 96 Ca 0.51 -1.04 0.06 0.00 0.02 0.00 0.00 55.36 54.91 1u38 s GLN 96 Cb 0.43 -2.57 -0.06 0.00 1.00 0.00 0.00 33.01 31.81 1u38 s GLN 96 CO 0.01 0.40 0.29 -1.13 -2.12 0.00 0.00 175.29 172.75 1u38 n SER 97 N -1.15 0.38 -3.72 5.90 3.41 -1.26 -4.06 113.62 113.12 1u38 n SER 97 Ca -0.08 -0.69 -0.12 0.00 -0.26 0.00 0.00 58.87 57.72 1u38 n SER 97 Cb 0.58 0.93 -0.11 0.00 -0.26 0.00 0.00 64.21 65.35 1u38 n SER 97 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1u38 s ARG 98 N -1.50 0.41 -0.29 4.33 3.52 -1.26 -1.27 118.95 122.89 1u38 s ARG 98 Ca 0.03 0.64 0.02 0.00 -0.13 0.00 0.00 55.73 56.30 1u38 s ARG 98 Cb 0.05 0.09 0.08 0.00 -1.56 0.00 0.00 34.95 33.60 1u38 s ARG 98 CO 0.24 -0.11 -0.01 0.08 -0.81 0.00 0.00 175.30 174.69 1u38 s VAL 99 N 0.80 1.93 -0.63 7.11 1.01 -0.43 -4.93 120.40 125.26 1u38 s VAL 99 Ca -0.05 -1.81 -0.22 0.00 0.00 0.00 0.00 61.98 59.91 1u38 s VAL 99 Cb -0.06 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.13 1u38 s VAL 99 CO -0.06 -0.35 0.88 -0.75 0.00 0.00 0.00 175.10 174.82 1u38 s LYS 100 N 1.14 3.10 -0.18 2.72 2.20 -1.24 -1.80 119.74 125.68 1u38 s LYS 100 Ca 0.02 -0.94 -0.01 0.00 -0.36 0.00 0.00 55.97 54.68 1u38 s LYS 100 Cb -0.19 -4.23 -0.00 0.00 -1.51 0.00 0.00 37.83 31.90 1u38 s LYS 100 CO -0.09 -1.71 -0.13 -0.51 -0.36 0.00 0.00 175.35 172.56 1u38 s LEU 101 N 3.64 2.55 -0.81 5.43 1.02 0.13 0.05 118.68 130.69 1u38 s LEU 101 Ca 0.19 -0.47 -0.19 0.00 0.02 0.00 0.00 54.13 53.68 1u38 s LEU 101 Cb -0.19 -1.60 0.12 0.00 0.02 0.00 0.00 46.19 44.54 1u38 s LEU 101 CO 0.10 0.05 1.02 0.20 0.02 0.00 0.00 176.35 177.73 1u38 s ASN 102 N 1.04 6.46 0.42 2.29 0.02 -0.73 0.12 114.94 124.57 1u38 s ASN 102 Ca -0.01 -1.73 0.07 0.00 -1.02 0.00 0.00 52.86 50.17 1u38 s ASN 102 Cb -0.15 -2.38 -0.05 0.00 0.02 0.00 0.00 41.25 38.69 1u38 s ASN 102 CO -0.03 -1.14 0.17 0.27 0.02 0.00 0.00 177.10 176.38 1u38 s ILE 103 N 2.92 2.25 -0.15 0.60 -4.36 -0.82 -1.15 121.20 120.49 1u38 s ILE 103 Ca 0.27 -1.72 -0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1u38 s ILE 103 Cb -0.11 -2.97 -0.01 0.00 1.25 0.00 0.00 42.46 40.62 1u38 s ILE 103 CO -0.03 0.00 -0.13 -0.69 0.24 0.00 0.00 174.94 174.33 1u38 s VAL 104 N -2.62 2.89 -2.05 8.37 1.01 0.12 0.12 120.40 128.25 1u38 s VAL 104 Ca 0.40 -0.70 0.32 0.00 0.00 0.00 0.00 61.98 62.00 1u38 s VAL 104 Cb 0.04 -2.23 0.88 0.00 0.00 0.00 0.00 36.38 35.07 1u38 s VAL 104 CO 0.22 0.51 2.18 -1.14 0.00 0.00 0.00 175.10 176.87