#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 1.40 -3.59 4.31 3.72 -1.26 -0.88 117.46 121.16 1u38 n PHE 18 Ca 0.00 0.41 -0.02 0.00 -0.05 0.00 0.00 57.45 57.79 1u38 n PHE 18 Cb 0.00 -2.18 -0.05 0.00 -0.94 0.00 0.00 39.48 36.31 1u38 n PHE 18 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1u38 s LYS 19 N -3.47 0.51 -0.61 -1.08 -2.85 0.33 -4.86 119.74 107.71 1u38 s LYS 19 Ca 0.78 1.05 -0.27 0.00 -1.00 0.00 0.00 55.97 56.53 1u38 s LYS 19 Cb -0.36 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 1u38 s LYS 19 CO 0.45 -0.14 1.58 -0.51 0.10 0.00 0.00 175.35 176.84 1u38 s ASP 20 N 2.07 5.78 0.12 0.03 1.11 -1.26 -2.08 116.67 122.44 1u38 s ASP 20 Ca -0.07 0.19 -0.27 0.00 0.18 0.00 0.00 52.55 52.58 1u38 s ASP 20 Cb -0.07 -2.54 -0.07 0.00 1.07 0.00 0.00 42.92 41.31 1u38 s ASP 20 CO -0.18 -2.01 0.84 -0.69 1.18 0.00 0.00 175.17 174.32 1u38 s VAL 21 N 7.24 4.49 -0.28 -1.27 1.01 0.38 -4.89 120.40 127.08 1u38 s VAL 21 Ca 0.56 1.83 0.02 0.00 0.00 0.00 0.00 61.98 64.38 1u38 s VAL 21 Cb -0.12 -4.20 0.08 0.00 0.00 0.00 0.00 36.38 32.14 1u38 s VAL 21 CO 0.21 0.41 0.01 0.12 0.00 0.00 0.00 175.10 175.85 1u38 s PHE 22 N -0.46 2.72 -0.49 5.22 5.36 -1.26 0.40 117.98 129.47 1u38 s PHE 22 Ca 0.40 -2.17 -0.10 0.00 -0.96 0.00 0.00 56.93 54.10 1u38 s PHE 22 Cb -0.23 -2.04 0.12 0.00 -0.34 0.00 0.00 43.02 40.53 1u38 s PHE 22 CO 0.27 -0.86 0.37 0.42 -1.46 0.00 0.00 175.22 173.96 1u38 s ILE 23 N 1.27 4.36 -0.46 3.12 -1.09 -0.62 -4.92 121.20 122.86 1u38 s ILE 23 Ca 0.03 -1.77 -0.24 0.00 -2.23 0.00 0.00 60.65 56.43 1u38 s ILE 23 Cb -0.19 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 36.86 1u38 s ILE 23 CO -0.11 -0.79 0.85 -1.61 -1.23 0.00 0.00 174.94 172.05 1u38 s GLU 24 N 1.36 3.46 0.04 2.79 2.02 -1.26 -1.32 118.70 125.79 1u38 s GLU 24 Ca 0.06 0.00 0.01 0.00 0.02 0.00 0.00 54.97 55.06 1u38 s GLU 24 Cb -0.27 -3.94 -0.00 0.00 0.10 0.00 0.00 34.13 30.02 1u38 s GLU 24 CO -0.00 -1.18 0.03 0.36 0.02 0.00 0.00 175.26 174.48 1u38 n LYS 25 N 6.95 0.22 -3.88 1.61 -0.00 -0.41 -4.98 118.16 117.67 1u38 n LYS 25 Ca 0.04 -0.40 -0.23 0.00 -0.00 0.00 0.00 58.31 57.72 1u38 n LYS 25 Cb 0.48 0.30 -0.05 0.00 -0.00 0.00 0.00 35.03 35.76 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 -2.17 2.38 0.76 -1.58 1.11 -1.26 -4.14 119.66 114.77 1u38 s GLN 26 Ca 0.04 -1.67 -0.13 0.00 0.01 0.00 0.00 55.36 53.61 1u38 s GLN 26 Cb 0.00 -2.18 0.06 0.00 -1.01 0.00 0.00 33.01 29.88 1u38 s GLN 26 CO 0.03 -0.12 1.14 0.15 0.01 0.00 0.00 175.29 176.50 1u38 s LYS 27 N -4.00 2.09 -1.62 2.91 1.02 -1.26 -2.89 119.74 116.00 1u38 s LYS 27 Ca 0.44 1.48 0.00 0.00 0.02 0.00 0.00 55.97 57.91 1u38 s LYS 27 Cb 0.00 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 1u38 s LYS 27 CO 0.25 -1.81 0.00 0.41 -0.92 0.00 0.00 175.35 173.27 1u38 n GLY 28 N -0.26 1.52 0.91 -3.33 0.00 -1.23 -4.82 105.19 97.98 1u38 n GLY 28 Ca 0.11 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.18 0.97 0.00 1.61 -0.58 -1.14 -5.01 120.64 114.30 1u38 n GLU 29 Ca -0.15 -2.76 0.00 0.00 -0.42 0.00 0.00 57.16 53.82 1u38 n GLU 29 Cb 0.55 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.42 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 -0.52 0.00 0.00 -3.67 -5.35 -1.26 -4.52 119.36 104.04 1u38 n ILE 30 Ca 0.14 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.62 1u38 n ILE 30 Cb 0.86 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 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 -0.82 7.28 7.94 -1.26 -4.86 117.00 125.28 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 0.44 3.24 -3.96 0.00 -1.26 -3.08 105.19 100.57 1u38 n GLY 32 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.55 0.10 -0.12 1.61 -7.23 -1.26 -0.22 120.40 110.72 1u38 s VAL 33 Ca 0.00 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.41 1u38 s VAL 33 Cb 0.00 -1.03 0.01 0.00 0.56 0.00 0.00 36.38 35.92 1u38 s VAL 33 CO 0.00 -0.43 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.46 1u38 s VAL 34 N -2.92 1.93 0.14 1.32 1.01 0.33 -4.90 120.40 117.30 1u38 s VAL 34 Ca -0.02 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.12 1u38 s VAL 34 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1u38 s VAL 34 CO -0.06 0.53 -0.11 0.27 0.00 0.00 0.00 175.10 175.73 1u38 s ILE 35 N 0.72 3.23 0.17 2.22 -4.36 -1.26 0.33 121.20 122.25 1u38 s ILE 35 Ca -0.10 -1.47 -0.04 0.00 -0.26 0.00 0.00 60.65 58.78 1u38 s ILE 35 Cb -0.16 -2.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.97 1u38 s ILE 35 CO 0.01 0.01 0.17 0.68 0.24 0.00 0.00 174.94 176.05 1u38 s VAL 36 N -1.42 0.05 0.22 8.37 -7.23 0.05 -4.83 120.40 115.61 1u38 s VAL 36 Ca 0.22 -1.79 -0.32 0.00 -1.81 0.00 0.00 61.98 58.29 1u38 s VAL 36 Cb -0.10 -2.17 -0.12 0.00 0.56 0.00 0.00 36.38 34.55 1u38 s VAL 36 CO 0.14 -0.23 1.68 -0.62 -0.31 0.00 0.00 175.10 175.76 1u38 n GLU 37 N -0.20 2.70 -2.09 4.82 1.02 -1.26 0.11 120.64 125.73 1u38 n GLU 37 Ca -0.03 0.97 -0.28 0.00 -0.02 0.00 0.00 57.16 57.80 1u38 n GLU 37 Cb 0.64 -2.79 -0.05 0.00 -0.02 0.00 0.00 31.44 29.21 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 1.00 5.18 0.00 1.62 1.04 -0.05 -4.66 113.70 117.82 1u38 s SER 38 Ca 0.73 -1.25 0.30 0.00 0.48 0.00 0.00 55.95 56.20 1u38 s SER 38 Cb -0.52 -2.58 1.49 0.00 0.10 0.00 0.00 66.02 64.51 1u38 s SER 38 CO 0.36 -2.83 2.03 0.61 0.98 0.00 0.00 173.24 174.40 1u38 n GLY 39 N 6.28 -1.27 0.00 7.32 0.00 -1.26 -4.55 105.19 111.71 1u38 n GLY 39 Ca 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.29 -1.06 0.08 1.61 4.27 -1.26 -4.66 117.44 115.14 1u38 n TRP 40 Ca 0.14 0.00 0.20 0.00 -3.89 0.00 0.00 57.50 53.95 1u38 n TRP 40 Cb 0.24 0.00 0.67 0.00 -1.36 0.00 0.00 31.31 30.86 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 -0.30 0.00 -0.59 -1.67 0.00 -2.02 -3.44 103.07 95.05 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 -3.44 -1.51 -0.27 0.19 7.64 -1.26 -4.94 113.62 110.03 1u38 n SER 42 Ca 0.09 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.13 1u38 n SER 42 Cb 0.77 -0.46 0.44 0.00 -1.01 0.00 0.00 64.21 63.95 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 0.73 -2.13 0.44 2.04 -1.93 -3.35 117.51 113.31 1u38 h ILE 43 Ca 0.00 -0.19 -0.31 0.00 1.00 0.00 0.00 64.86 65.36 1u38 h ILE 43 Cb 0.91 0.13 -0.33 0.00 -0.74 0.00 0.00 36.82 36.79 1u38 h ILE 43 CO 0.00 0.10 -0.62 -0.76 0.00 0.00 0.00 178.15 176.87 1u38 s LEU 44 N -9.68 -0.29 -0.72 1.44 1.02 -1.26 -5.08 118.68 104.11 1u38 s LEU 44 Ca -0.09 -0.66 -0.17 0.00 0.02 0.00 0.00 54.13 53.23 1u38 s LEU 44 Cb 0.23 0.57 -0.17 0.00 0.02 0.00 0.00 46.19 46.84 1u38 s LEU 44 CO 0.79 -0.38 1.89 -2.65 0.02 0.00 0.00 176.35 176.02 1u38 n PRO 45 N 5.32 0.15 0.00 1.29 -0.02 -1.26 -4.74 135.00 135.74 1u38 n PRO 45 Ca -0.02 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.63 1u38 n PRO 45 Cb 0.47 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1u38 n PRO 45 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1u38 n THR 46 N 7.31 0.00 -4.05 3.45 -2.24 -1.26 0.77 114.28 118.26 1u38 n THR 46 Ca 0.35 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.90 1u38 n THR 46 Cb 0.42 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1u38 n THR 46 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1u38 s VAL 47 N 0.91 2.93 -0.06 2.28 -7.23 -1.23 -0.87 120.40 117.11 1u38 s VAL 47 Ca 0.00 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 1u38 s VAL 47 Cb 0.00 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1u38 s VAL 47 CO 0.00 -0.14 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.87 1u38 s ILE 48 N -2.45 1.32 -0.79 -0.62 1.01 0.30 -2.64 121.20 117.34 1u38 s ILE 48 Ca 0.39 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 60.19 1u38 s ILE 48 Cb -0.02 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 1u38 s ILE 48 CO 0.23 0.39 2.00 -0.63 0.00 0.00 0.00 174.94 176.93 1u38 s ILE 49 N 0.47 3.35 -1.07 2.92 1.01 -1.14 -0.77 121.20 125.98 1u38 s ILE 49 Ca -0.13 -0.16 0.25 0.00 0.00 0.00 0.00 60.65 60.62 1u38 s ILE 49 Cb -0.15 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 1u38 s ILE 49 CO 0.04 -0.78 1.36 0.00 0.00 0.00 0.00 174.94 175.56 1u38 n ALA 50 N 14.28 3.66 -3.45 9.38 0.00 0.15 -0.50 120.51 144.02 1u38 n ALA 50 Ca 0.35 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1u38 n ALA 50 Cb 0.48 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.96 -0.50 -0.06 0.00 -0.87 -0.99 -4.96 114.94 104.60 1u38 s ASN 51 Ca 0.12 -0.01 -0.18 0.00 -1.57 0.00 0.00 52.86 51.22 1u38 s ASN 51 Cb 0.17 0.54 0.04 0.00 -0.02 0.00 0.00 41.25 41.98 1u38 s ASN 51 CO 0.71 -0.87 0.41 -0.32 -2.57 0.00 0.00 177.10 174.45 1u38 s MET 52 N -3.57 0.70 0.55 -0.60 1.75 -1.26 0.12 119.30 117.00 1u38 s MET 52 Ca 0.02 0.08 0.23 0.00 -1.25 0.00 0.00 55.69 54.77 1u38 s MET 52 Cb -0.01 0.32 1.52 0.00 2.84 0.00 0.00 34.83 39.50 1u38 s MET 52 CO -0.11 -0.18 2.19 0.52 -0.65 0.00 0.00 175.02 176.78 1u38 h MET 53 N 4.08 0.00 -5.37 4.11 2.86 -0.92 -3.47 114.93 116.22 1u38 h MET 53 Ca -0.29 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.13 1u38 h MET 53 Cb 1.17 0.00 0.18 0.00 0.06 0.00 0.00 31.60 33.01 1u38 h MET 53 CO 0.36 0.00 -0.76 0.72 1.06 0.00 0.00 176.91 178.29 1u38 n HIS 54 N -4.22 -2.44 0.00 -0.22 8.25 -1.26 -4.73 115.22 110.60 1u38 n HIS 54 Ca -0.02 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1u38 n HIS 54 Cb 0.12 -4.08 0.00 0.00 1.12 0.00 0.00 29.99 27.15 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 -1.28 0.29 0.26 -1.41 0.00 -1.26 -5.03 105.19 96.75 1u38 n GLY 55 Ca -0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.71 0.23 -0.02 0.00 -1.26 -4.69 105.19 97.74 1u38 n GLY 56 Ca 0.00 -1.58 0.16 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.06 1.61 0.13 -1.86 -1.88 132.00 129.94 1u38 h PRO 57 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1u38 h PRO 57 Cb 0.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.21 1u38 h PRO 57 CO 0.02 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 177.78 1u38 h ALA 58 N 2.04 0.08 0.07 -0.56 0.00 -1.86 -1.60 119.26 117.43 1u38 h ALA 58 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.44 1u38 h ALA 58 Cb 0.13 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.92 1u38 h ALA 58 CO 0.00 -0.23 -1.15 1.49 0.00 0.00 0.00 179.25 179.36 1u38 h GLU 59 N -0.22 0.58 -0.52 0.00 4.22 -1.76 -3.24 114.58 113.64 1u38 h GLU 59 Ca 0.02 -0.72 0.06 0.00 0.08 0.00 0.00 59.36 58.79 1u38 h GLU 59 Cb 0.37 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 1u38 h GLU 59 CO 0.00 1.31 0.24 0.87 -2.18 0.00 0.00 179.01 179.25 1u38 h LYS 60 N 0.28 0.44 0.30 1.92 1.57 -1.38 -2.84 116.57 116.87 1u38 h LYS 60 Ca -0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1u38 h LYS 60 Cb 1.81 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 34.00 1u38 h LYS 60 CO 0.22 0.29 -0.33 0.66 -0.57 0.00 0.00 179.45 179.71 1u38 h SER 61 N 0.45 -0.91 0.00 0.86 4.64 -1.36 -3.47 113.55 113.77 1u38 h SER 61 Ca 0.24 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1u38 h SER 61 Cb 0.19 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1u38 h SER 61 CO -0.19 -0.46 0.00 0.61 -0.87 0.00 0.00 176.83 175.91 1u38 n GLY 62 N -1.44 2.99 0.26 -0.77 0.00 -1.07 -4.86 105.19 100.29 1u38 n GLY 62 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 0.22 0.00 -5.13 1.61 1.57 -1.89 -3.40 116.57 109.56 1u38 h LYS 63 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1u38 h LYS 63 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 1u38 h LYS 63 CO 0.00 0.05 -0.53 -0.51 -0.57 0.00 0.00 179.45 177.88 1u38 s LEU 64 N -8.75 3.96 -0.01 2.94 1.43 -1.26 -5.02 118.68 111.97 1u38 s LEU 64 Ca -0.05 0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1u38 s LEU 64 Cb 0.16 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1u38 s LEU 64 CO 0.66 0.09 0.12 0.20 0.23 0.00 0.00 176.35 177.65 1u38 s ASN 65 N 0.91 0.01 0.48 2.29 0.01 -1.26 -4.73 114.94 112.65 1u38 s ASN 65 Ca 0.06 -0.12 -0.21 0.00 -0.71 0.00 0.00 52.86 51.87 1u38 s ASN 65 Cb -0.13 0.22 -0.10 0.00 0.41 0.00 0.00 41.25 41.65 1u38 s ASN 65 CO 0.03 -0.29 0.76 -0.38 -1.51 0.00 0.00 177.10 175.71 1u38 n ILE 66 N 1.80 2.39 -0.92 0.60 2.08 -1.26 -2.79 119.36 121.26 1u38 n ILE 66 Ca -0.21 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.60 1u38 n ILE 66 Cb 0.56 -0.87 0.00 0.00 -0.75 0.00 0.00 39.64 38.58 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 1.50 0.49 3.98 7.39 0.00 0.35 -4.98 105.19 113.93 1u38 n GLY 67 Ca 0.11 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.85 5.21 -0.24 1.61 1.01 -1.12 -4.92 116.67 115.39 1u38 s ASP 68 Ca 0.00 -0.74 -0.01 0.00 0.71 0.00 0.00 52.55 52.51 1u38 s ASP 68 Cb 0.00 -0.16 0.07 0.00 1.01 0.00 0.00 42.92 43.84 1u38 s ASP 68 CO 0.00 -0.99 0.02 -1.10 0.21 0.00 0.00 175.17 173.30 1u38 s GLN 69 N -4.41 1.05 -0.02 8.23 -1.52 -0.75 -2.86 119.66 119.37 1u38 s GLN 69 Ca 0.53 -0.80 -0.21 0.00 -1.95 0.00 0.00 55.36 52.94 1u38 s GLN 69 Cb -0.06 -2.30 -0.05 0.00 -0.22 0.00 0.00 33.01 30.38 1u38 s GLN 69 CO 0.33 -0.70 0.60 0.42 -0.25 0.00 0.00 175.29 175.69 1u38 s ILE 70 N 1.61 4.93 -0.00 1.08 1.01 -1.08 0.66 121.20 129.41 1u38 s ILE 70 Ca -0.00 1.26 -0.00 0.00 0.00 0.00 0.00 60.65 61.90 1u38 s ILE 70 Cb -0.18 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.35 1u38 s ILE 70 CO -0.11 0.40 -0.00 0.23 0.00 0.00 0.00 174.94 175.46 1u38 n MET 71 N 2.88 0.00 -4.41 2.79 2.81 0.14 -3.57 117.12 117.76 1u38 n MET 71 Ca -0.06 0.08 -0.21 0.00 -1.81 0.00 0.00 57.70 55.70 1u38 n MET 71 Cb 0.51 -0.58 -0.14 0.00 -0.71 0.00 0.00 33.22 32.30 1u38 n MET 71 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1u38 s SER 72 N -3.87 1.71 -0.30 7.83 0.15 -1.18 0.11 113.70 118.16 1u38 s SER 72 Ca -0.00 -0.43 -0.03 0.00 0.70 0.00 0.00 55.95 56.19 1u38 s SER 72 Cb 0.00 -0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1u38 s SER 72 CO 0.00 0.06 0.01 -0.63 1.20 0.00 0.00 173.24 173.88 1u38 s ILE 73 N -0.78 3.11 -1.87 6.45 1.01 -0.23 -1.17 121.20 127.72 1u38 s ILE 73 Ca 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1u38 s ILE 73 Cb -0.08 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1u38 s ILE 73 CO 0.01 -0.06 0.00 0.59 0.00 0.00 0.00 174.94 175.48 1u38 n ASN 74 N 4.66 -5.03 0.00 3.58 3.02 0.75 -1.55 115.26 120.69 1u38 n ASN 74 Ca -0.14 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1u38 n ASN 74 Cb 0.44 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 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 -0.52 1.76 3.57 7.41 0.00 -1.26 -5.04 105.19 111.11 1u38 n GLY 75 Ca -0.20 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.82 3.24 0.23 2.61 2.01 -0.60 -4.94 115.64 117.38 1u38 s THR 76 Ca 0.00 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 1u38 s THR 76 Cb 0.00 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 1u38 s THR 76 CO 0.00 -0.44 1.32 -0.94 -0.69 0.00 0.00 174.62 173.87 1u38 s SER 77 N 8.90 6.86 -0.01 3.53 1.04 -1.26 -1.07 113.70 131.69 1u38 s SER 77 Ca 0.82 2.48 0.08 0.00 0.48 0.00 0.00 55.95 59.81 1u38 s SER 77 Cb -0.18 -2.62 -0.13 0.00 0.10 0.00 0.00 66.02 63.19 1u38 s SER 77 CO 0.27 -0.53 0.18 0.18 0.98 0.00 0.00 173.24 174.31 1u38 n LEU 78 N 2.24 0.00 -4.54 2.42 4.77 0.31 -4.84 117.00 117.37 1u38 n LEU 78 Ca 0.05 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 1u38 n LEU 78 Cb 0.42 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1u38 n LEU 78 CO 0.58 0.00 1.32 0.52 -1.33 0.00 0.00 177.39 178.48 1u38 n VAL 79 N -1.79 0.00 0.00 4.08 0.31 -1.19 -2.03 118.33 117.70 1u38 n VAL 79 Ca -0.02 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1u38 n VAL 79 Cb 0.22 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 6.44 3.87 3.71 2.92 0.00 0.23 -4.91 105.19 117.45 1u38 n GLY 80 Ca 0.48 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 2.94 0.00 0.99 2.34 -0.86 -5.02 118.68 119.07 1u38 s LEU 81 Ca 0.00 2.04 -0.17 0.00 0.06 0.00 0.00 54.13 56.06 1u38 s LEU 81 Cb 0.00 -4.55 0.26 0.00 -0.56 0.00 0.00 46.19 41.34 1u38 s LEU 81 CO 0.00 -2.64 0.73 -0.81 -1.06 0.00 0.00 176.35 172.58 1u38 n PRO 82 N -3.90 -3.45 -0.06 1.48 -0.04 -1.26 -4.86 135.00 122.91 1u38 n PRO 82 Ca 0.11 -1.20 -0.14 0.00 -0.04 0.00 0.00 63.50 62.23 1u38 n PRO 82 Cb 0.52 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.01 -0.93 1.53 7.12 -1.95 -3.02 115.31 118.07 1u38 h LEU 83 Ca -0.30 -0.91 0.14 0.00 0.13 0.00 0.00 57.88 56.94 1u38 h LEU 83 Cb 0.97 -0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.01 1u38 h LEU 83 CO 0.19 0.91 0.54 0.28 -0.13 0.00 0.00 178.44 180.24 1u38 h SER 84 N -0.90 0.74 -0.13 1.25 0.02 -1.96 -1.30 113.55 111.27 1u38 h SER 84 Ca -0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1u38 h SER 84 Cb 0.92 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1u38 h SER 84 CO 0.00 0.34 0.05 0.74 -1.14 0.00 0.00 176.83 176.82 1u38 h THR 85 N 0.80 1.17 0.11 -2.27 2.02 -1.94 -2.59 112.91 110.21 1u38 h THR 85 Ca 0.49 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1u38 h THR 85 Cb 0.62 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 1u38 h THR 85 CO -0.32 0.15 -0.24 0.00 0.37 0.00 0.00 175.52 175.48 1u38 h GLN 87 N -0.44 0.12 -0.68 0.00 4.20 -1.28 0.53 115.11 117.56 1u38 h GLN 87 Ca 0.03 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.82 1u38 h GLN 87 Cb 0.47 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1u38 h GLN 87 CO -0.14 0.08 0.45 1.03 -0.67 0.00 0.00 178.83 179.58 1u38 h SER 88 N 0.12 0.54 -0.20 1.46 0.87 -1.01 -1.54 113.55 113.80 1u38 h SER 88 Ca 0.34 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.92 1u38 h SER 88 Cb 0.55 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1u38 h SER 88 CO -0.54 0.33 0.08 0.40 -0.53 0.00 0.00 176.83 176.57 1u38 h ILE 89 N 0.60 0.97 0.04 2.23 1.08 0.10 -0.81 117.51 121.73 1u38 h ILE 89 Ca 0.31 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.71 1u38 h ILE 89 Cb 0.41 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1u38 h ILE 89 CO -0.10 0.03 -0.02 0.40 -0.69 0.00 0.00 178.15 177.78 1u38 h ILE 90 N 0.18 1.23 0.00 -0.67 2.04 -0.85 -2.88 117.51 116.57 1u38 h ILE 90 Ca 0.08 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1u38 h ILE 90 Cb 0.04 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1u38 h ILE 90 CO -0.07 0.22 0.00 0.07 0.00 0.00 0.00 178.15 178.37 1u38 h LYS 91 N -0.42 0.00 0.00 2.37 2.10 -1.26 -0.61 116.57 118.75 1u38 h LYS 91 Ca -0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1u38 h LYS 91 Cb 0.39 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 1u38 h LYS 91 CO 0.01 0.00 -0.27 0.78 -2.00 0.00 0.00 179.45 177.97 1u38 h GLY 92 N 0.25 0.00 -4.19 0.07 0.00 -0.92 -3.28 103.07 95.01 1u38 h GLY 92 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1u38 h GLY 92 CO 0.00 0.00 -0.24 1.47 0.00 0.00 0.00 176.54 177.77 1u38 n LEU 93 N -3.24 5.70 0.03 3.11 -0.00 -0.24 -4.64 117.00 117.72 1u38 n LEU 93 Ca 0.02 -4.82 0.12 0.00 -0.00 0.00 0.00 56.01 51.33 1u38 n LEU 93 Cb 0.57 -0.59 0.25 0.00 -0.00 0.00 0.00 43.42 43.65 1u38 n LEU 93 CO 0.36 1.99 0.45 2.29 -0.00 0.00 0.00 177.39 182.48 1u38 n LYS 94 N -0.66 0.13 -1.08 1.47 -0.00 -1.22 -4.08 118.16 112.73 1u38 n LYS 94 Ca 0.47 0.04 -0.25 0.00 -0.00 0.00 0.00 58.31 58.58 1u38 n LYS 94 Cb 0.73 -1.59 0.06 0.00 -0.00 0.00 0.00 35.03 34.23 1u38 n LYS 94 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1u38 n ASN 95 N -1.78 6.76 -4.25 -5.58 0.23 -1.26 -3.58 115.26 105.80 1u38 n ASN 95 Ca 0.05 -3.38 -0.23 0.00 -0.53 0.00 0.00 54.58 50.48 1u38 n ASN 95 Cb 0.38 -1.00 -0.13 0.00 -2.08 0.00 0.00 39.78 36.96 1u38 n ASN 95 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u38 s GLN 96 N -2.73 1.15 0.00 -3.83 -2.07 -1.26 -4.91 119.66 106.01 1u38 s GLN 96 Ca 0.46 -1.03 0.28 0.00 -1.82 0.00 0.00 55.36 53.25 1u38 s GLN 96 Cb 0.37 -1.32 1.07 0.00 -1.09 0.00 0.00 33.01 32.03 1u38 s GLN 96 CO 0.00 0.32 1.80 0.45 -1.32 0.00 0.00 175.29 176.53 1u38 n SER 97 N 1.42 0.18 -3.79 12.60 2.88 -1.26 -4.45 113.62 121.21 1u38 n SER 97 Ca -0.19 0.14 -0.13 0.00 -1.33 0.00 0.00 58.87 57.37 1u38 n SER 97 Cb 0.54 -0.24 -0.11 0.00 -0.75 0.00 0.00 64.21 63.64 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 -2.91 0.35 -0.27 -1.46 3.52 -1.26 -1.29 118.95 115.62 1u38 s ARG 98 Ca 0.16 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 1u38 s ARG 98 Cb 0.19 0.16 0.08 0.00 -1.56 0.00 0.00 34.95 33.82 1u38 s ARG 98 CO 0.56 -0.06 0.03 0.08 -0.81 0.00 0.00 175.30 175.10 1u38 s VAL 99 N -0.13 1.34 -0.71 7.11 1.01 -0.44 -4.96 120.40 123.62 1u38 s VAL 99 Ca -0.03 -1.41 -0.22 0.00 0.00 0.00 0.00 61.98 60.33 1u38 s VAL 99 Cb -0.03 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.61 1u38 s VAL 99 CO 0.01 -0.39 0.99 -0.75 0.00 0.00 0.00 175.10 174.95 1u38 s LYS 100 N 1.43 3.21 0.15 2.72 2.20 -1.26 -1.59 119.74 126.59 1u38 s LYS 100 Ca 0.03 -1.05 0.03 0.00 -0.36 0.00 0.00 55.97 54.62 1u38 s LYS 100 Cb -0.18 -4.38 -0.04 0.00 -1.51 0.00 0.00 37.83 31.72 1u38 s LYS 100 CO -0.13 -1.80 0.22 -0.51 -0.36 0.00 0.00 175.35 172.77 1u38 s LEU 101 N 3.72 4.13 -0.37 5.43 1.43 0.16 -0.18 118.68 133.01 1u38 s LEU 101 Ca 0.24 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1u38 s LEU 101 Cb -0.15 -2.71 0.11 0.00 0.03 0.00 0.00 46.19 43.46 1u38 s LEU 101 CO 0.06 0.07 0.11 0.20 0.23 0.00 0.00 176.35 177.01 1u38 s ASN 102 N -3.13 4.40 0.43 2.29 0.02 -0.31 0.14 114.94 118.78 1u38 s ASN 102 Ca 0.33 -2.18 0.05 0.00 -1.02 0.00 0.00 52.86 50.03 1u38 s ASN 102 Cb -0.11 -1.37 -0.06 0.00 0.02 0.00 0.00 41.25 39.74 1u38 s ASN 102 CO 0.26 -0.36 0.02 0.27 0.02 0.00 0.00 177.10 177.32 1u38 s ILE 103 N 0.87 1.59 -0.07 0.60 -4.36 -0.88 0.24 121.20 119.19 1u38 s ILE 103 Ca 0.12 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.54 1u38 s ILE 103 Cb -0.20 -2.71 0.01 0.00 1.25 0.00 0.00 42.46 40.81 1u38 s ILE 103 CO -0.11 0.00 -0.16 0.68 0.24 0.00 0.00 174.94 175.59 1u38 s VAL 104 N -2.85 1.44 -2.37 8.37 -7.23 0.21 0.12 120.40 118.08 1u38 s VAL 104 Ca 0.26 -0.67 0.29 0.00 -1.81 0.00 0.00 61.98 60.06 1u38 s VAL 104 Cb 0.07 -1.27 0.64 0.00 0.56 0.00 0.00 36.38 36.38 1u38 s VAL 104 CO 0.13 0.42 1.87 0.54 -0.31 0.00 0.00 175.10 177.75