#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u38 s PHE 18 N 0.00 2.41 -0.29 4.31 0.40 -1.26 -1.09 117.98 122.46 1u38 s PHE 18 Ca 0.00 1.42 -0.13 0.00 -0.60 0.00 0.00 56.93 57.62 1u38 s PHE 18 Cb 0.00 -3.68 0.13 0.00 0.51 0.00 0.00 43.02 39.97 1u38 s PHE 18 CO 0.00 -2.56 0.78 -1.59 0.70 0.00 0.00 175.22 172.55 1u38 s LYS 19 N -2.91 0.52 0.11 0.44 0.00 0.30 -4.84 119.74 113.36 1u38 s LYS 19 Ca 0.71 1.12 -0.31 0.00 0.00 0.00 0.00 55.97 57.49 1u38 s LYS 19 Cb -0.37 0.48 -0.07 0.00 0.00 0.00 0.00 37.83 37.87 1u38 s LYS 19 CO 0.44 -0.15 1.24 0.16 0.00 0.00 0.00 175.35 177.04 1u38 s ASP 20 N 2.25 7.02 -0.11 0.03 -4.77 -1.26 -1.86 116.67 117.97 1u38 s ASP 20 Ca -0.07 2.15 0.00 0.00 -3.30 0.00 0.00 52.55 51.34 1u38 s ASP 20 Cb -0.08 -2.59 -0.02 0.00 -1.09 0.00 0.00 42.92 39.14 1u38 s ASP 20 CO -0.18 -0.49 -0.11 -0.69 0.70 0.00 0.00 175.17 174.40 1u38 s VAL 21 N 0.75 3.26 -0.28 2.11 1.01 0.29 -4.93 120.40 122.61 1u38 s VAL 21 Ca 0.58 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1u38 s VAL 21 Cb -0.32 -2.36 0.07 0.00 0.00 0.00 0.00 36.38 33.77 1u38 s VAL 21 CO 0.32 0.54 -0.02 0.12 0.00 0.00 0.00 175.10 176.05 1u38 s PHE 22 N 0.04 2.92 -0.45 5.22 5.36 -1.26 0.16 117.98 129.96 1u38 s PHE 22 Ca -0.03 -2.24 -0.05 0.00 -0.96 0.00 0.00 56.93 53.65 1u38 s PHE 22 Cb -0.14 -2.05 0.12 0.00 -0.34 0.00 0.00 43.02 40.61 1u38 s PHE 22 CO 0.04 -0.86 0.27 0.42 -1.46 0.00 0.00 175.22 173.63 1u38 s ILE 23 N 1.21 3.64 -0.49 3.12 -1.09 -0.70 -4.93 121.20 121.97 1u38 s ILE 23 Ca -0.00 -2.03 -0.29 0.00 -2.23 0.00 0.00 60.65 56.10 1u38 s ILE 23 Cb -0.19 -3.45 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1u38 s ILE 23 CO -0.08 -0.74 1.15 -1.61 -1.23 0.00 0.00 174.94 172.43 1u38 s GLU 24 N 1.13 3.70 0.00 2.79 2.02 -1.26 -1.28 118.70 125.79 1u38 s GLU 24 Ca 0.08 0.55 0.00 0.00 0.02 0.00 0.00 54.97 55.62 1u38 s GLU 24 Cb -0.24 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.07 1u38 s GLU 24 CO -0.03 -1.41 0.00 0.36 0.02 0.00 0.00 175.26 174.19 1u38 n LYS 25 N 7.91 0.92 -3.85 1.61 2.85 -0.31 -4.97 118.16 122.33 1u38 n LYS 25 Ca 0.12 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.12 1u38 n LYS 25 Cb 0.49 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.86 1u38 n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1u38 s GLN 26 N -1.70 2.27 0.66 -1.58 1.11 -1.26 -4.19 119.66 114.97 1u38 s GLN 26 Ca 0.00 -1.97 -0.11 0.00 0.01 0.00 0.00 55.36 53.29 1u38 s GLN 26 Cb 0.00 -2.13 -0.01 0.00 -1.01 0.00 0.00 33.01 29.86 1u38 s GLN 26 CO 0.00 -0.58 1.06 0.15 0.01 0.00 0.00 175.29 175.93 1u38 s LYS 27 N -4.27 3.23 -0.87 2.91 -0.14 -1.26 -3.54 119.74 115.79 1u38 s LYS 27 Ca 0.36 0.62 0.00 0.00 -1.36 0.00 0.00 55.97 55.59 1u38 s LYS 27 Cb -0.02 -2.05 0.00 0.00 -1.68 0.00 0.00 37.83 34.08 1u38 s LYS 27 CO 0.22 -0.81 0.00 0.41 -0.76 0.00 0.00 175.35 174.41 1u38 n GLY 28 N -2.85 0.78 1.26 -3.33 0.00 -1.26 -4.77 105.19 95.02 1u38 n GLY 28 Ca 0.06 0.00 -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 -0.33 2.08 0.00 1.61 1.02 -1.23 -5.01 120.64 118.78 1u38 n GLU 29 Ca -0.08 -3.47 0.00 0.00 -0.02 0.00 0.00 57.16 53.59 1u38 n GLU 29 Cb 0.57 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 -0.81 0.00 0.00 -3.67 -5.35 -1.25 -4.42 119.36 103.86 1u38 n ILE 30 Ca 0.25 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.73 1u38 n ILE 30 Cb 0.83 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 -0.98 7.28 0.00 -1.26 -4.80 117.00 117.24 1u38 n LEU 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1u38 n LEU 31 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1u38 n LEU 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.00 1u38 n GLY 32 N 0.00 0.74 3.26 -3.96 0.00 -1.26 -3.18 105.19 100.80 1u38 n GLY 32 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.65 0.08 -0.09 1.61 -7.23 -1.26 -1.07 120.40 109.79 1u38 s VAL 33 Ca 0.00 -0.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.52 1u38 s VAL 33 Cb 0.00 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.94 1u38 s VAL 33 CO 0.00 -0.38 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.48 1u38 s VAL 34 N -2.78 2.00 0.23 1.32 1.01 0.32 -4.90 120.40 117.58 1u38 s VAL 34 Ca -0.03 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.05 1u38 s VAL 34 Cb -0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1u38 s VAL 34 CO -0.05 0.55 -0.13 0.27 0.00 0.00 0.00 175.10 175.74 1u38 s ILE 35 N 0.23 2.90 0.23 2.22 -4.36 -1.26 0.04 121.20 121.20 1u38 s ILE 35 Ca -0.15 -1.97 -0.10 0.00 -0.26 0.00 0.00 60.65 58.17 1u38 s ILE 35 Cb -0.17 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 1u38 s ILE 35 CO 0.07 -0.24 0.38 0.68 0.24 0.00 0.00 174.94 176.07 1u38 s VAL 36 N -2.03 0.01 0.20 8.37 -7.23 0.01 -4.83 120.40 114.90 1u38 s VAL 36 Ca 0.27 -1.54 -0.32 0.00 -1.81 0.00 0.00 61.98 58.59 1u38 s VAL 36 Cb -0.07 -2.23 -0.11 0.00 0.56 0.00 0.00 36.38 34.53 1u38 s VAL 36 CO 0.15 -0.03 1.64 -1.61 -0.31 0.00 0.00 175.10 174.94 1u38 s GLU 37 N -4.04 4.17 -1.07 4.82 2.02 -1.26 0.59 118.70 123.92 1u38 s GLU 37 Ca 0.26 2.49 -0.23 0.00 0.02 0.00 0.00 54.97 57.50 1u38 s GLU 37 Cb 0.01 -3.10 -0.07 0.00 0.10 0.00 0.00 34.13 31.07 1u38 s GLU 37 CO 0.09 -0.67 1.93 -1.54 0.02 0.00 0.00 175.26 175.09 1u38 s SER 38 N 1.08 5.10 0.00 -0.19 1.04 -0.55 -4.68 113.70 115.49 1u38 s SER 38 Ca 0.71 -1.26 0.29 0.00 0.48 0.00 0.00 55.95 56.17 1u38 s SER 38 Cb -0.47 -2.58 1.32 0.00 0.10 0.00 0.00 66.02 64.40 1u38 s SER 38 CO 0.33 -2.91 1.91 0.61 0.98 0.00 0.00 173.24 174.16 1u38 n GLY 39 N 6.24 -0.92 0.00 7.32 0.00 -1.26 -4.61 105.19 111.96 1u38 n GLY 39 Ca 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.92 -0.98 -0.02 1.61 4.27 -1.26 -4.66 117.44 115.48 1u38 n TRP 40 Ca 0.16 0.00 0.24 0.00 -3.89 0.00 0.00 57.50 54.01 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 -0.23 0.00 -1.68 -1.67 0.00 -2.02 -3.45 103.07 94.03 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 -3.68 -1.89 -0.35 0.19 7.64 -1.26 -4.97 113.62 109.31 1u38 n SER 42 Ca 0.13 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.98 1u38 n SER 42 Cb 0.88 -0.47 0.10 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.26 -2.52 0.44 2.04 -1.94 -3.41 117.51 113.39 1u38 h ILE 43 Ca 0.00 -0.56 -0.17 0.00 1.00 0.00 0.00 64.86 65.13 1u38 h ILE 43 Cb 0.94 -0.07 -0.31 0.00 -0.74 0.00 0.00 36.82 36.65 1u38 h ILE 43 CO 0.00 0.27 -0.47 -0.76 0.00 0.00 0.00 178.15 177.19 1u38 s LEU 44 N -10.01 -0.47 -0.44 1.44 1.02 -1.26 -5.11 118.68 103.86 1u38 s LEU 44 Ca -0.13 0.58 -0.27 0.00 0.02 0.00 0.00 54.13 54.33 1u38 s LEU 44 Cb 0.17 0.97 -0.06 0.00 0.02 0.00 0.00 46.19 47.30 1u38 s LEU 44 CO 0.82 -0.26 2.30 -2.16 0.02 0.00 0.00 176.35 177.08 1u38 s PRO 45 N 2.50 2.40 0.00 1.29 0.04 -1.26 -4.84 135.00 135.14 1u38 s PRO 45 Ca 0.03 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1u38 s PRO 45 Cb -0.13 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 29.90 1u38 s PRO 45 CO -0.12 -2.94 0.00 0.25 0.04 0.00 0.00 177.00 174.24 1u38 n THR 46 N 7.86 0.00 -4.19 1.26 -2.24 -1.26 0.12 114.28 115.83 1u38 n THR 46 Ca 0.33 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.88 1u38 n THR 46 Cb 0.52 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.32 3.96 -0.08 2.28 -7.23 -1.22 -1.48 120.40 115.30 1u38 s VAL 47 Ca 0.00 -1.53 0.05 0.00 -1.81 0.00 0.00 61.98 58.68 1u38 s VAL 47 Cb 0.00 -3.08 -0.01 0.00 0.56 0.00 0.00 36.38 33.85 1u38 s VAL 47 CO 0.00 -0.27 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.66 1u38 s ILE 48 N -2.05 2.19 -0.75 -0.62 1.01 0.20 -1.68 121.20 119.50 1u38 s ILE 48 Ca 0.31 -1.00 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 1u38 s ILE 48 Cb -0.08 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1u38 s ILE 48 CO 0.22 0.56 1.90 -0.63 0.00 0.00 0.00 174.94 176.99 1u38 s ILE 49 N 0.02 3.40 -2.41 2.92 1.01 -0.41 -0.81 121.20 124.92 1u38 s ILE 49 Ca -0.09 -0.07 0.26 0.00 0.00 0.00 0.00 60.65 60.75 1u38 s ILE 49 Cb -0.15 -3.97 0.29 0.00 0.01 0.00 0.00 42.46 38.64 1u38 s ILE 49 CO 0.05 -0.92 1.45 0.00 0.00 0.00 0.00 174.94 175.52 1u38 n ALA 50 N 13.34 2.82 -3.54 9.38 0.00 0.11 -1.57 120.51 141.05 1u38 n ALA 50 Ca 0.30 -0.54 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 1u38 n ALA 50 Cb 0.50 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.19 -0.27 -0.11 0.00 0.01 -1.10 -4.95 114.94 106.33 1u38 s ASN 51 Ca 0.29 0.02 -0.19 0.00 -0.71 0.00 0.00 52.86 52.26 1u38 s ASN 51 Cb 0.20 0.28 0.05 0.00 0.41 0.00 0.00 41.25 42.18 1u38 s ASN 51 CO 0.41 -0.45 0.48 -0.32 -1.51 0.00 0.00 177.10 175.70 1u38 s MET 52 N -2.74 0.69 0.63 -0.60 1.75 -1.26 0.12 119.30 117.89 1u38 s MET 52 Ca 0.06 0.36 0.32 0.00 -1.25 0.00 0.00 55.69 55.19 1u38 s MET 52 Cb -0.01 0.33 1.80 0.00 2.84 0.00 0.00 34.83 39.78 1u38 s MET 52 CO -0.07 -0.15 2.08 0.52 -0.65 0.00 0.00 175.02 176.75 1u38 h MET 53 N 4.50 0.00 -5.29 4.11 2.86 -1.44 -3.46 114.93 116.21 1u38 h MET 53 Ca -0.28 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.07 1u38 h MET 53 Cb 1.17 0.00 0.15 0.00 0.06 0.00 0.00 31.60 32.98 1u38 h MET 53 CO 0.29 0.00 -0.70 1.58 1.06 0.00 0.00 176.91 179.14 1u38 n HIS 54 N -3.34 -1.99 0.00 -0.22 -0.00 -1.26 -4.68 115.22 103.73 1u38 n HIS 54 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 57.72 58.56 1u38 n HIS 54 Cb 0.32 -4.75 0.00 0.00 -0.00 0.00 0.00 29.99 25.56 1u38 n HIS 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1u38 n GLY 55 N -1.12 0.33 0.60 1.57 0.00 -1.26 -4.99 105.19 100.31 1u38 n GLY 55 Ca -0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.42 0.35 -0.02 0.00 -1.26 -4.11 105.19 96.72 1u38 n GLY 56 Ca 0.00 -1.30 0.18 0.00 0.00 0.00 0.00 46.02 44.90 1u38 n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u38 h PRO 57 N 0.00 0.00 0.01 1.61 0.11 -1.87 0.15 132.00 132.01 1u38 h PRO 57 Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1u38 h PRO 57 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1u38 h PRO 57 CO 0.04 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 177.83 1u38 h ALA 58 N 1.65 -0.01 0.11 -0.75 0.00 -1.84 -1.15 119.26 117.27 1u38 h ALA 58 Ca 0.07 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.53 1u38 h ALA 58 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1u38 h ALA 58 CO -0.00 -0.34 -1.22 1.49 0.00 0.00 0.00 179.25 179.18 1u38 h GLU 59 N -0.34 0.53 -0.38 0.00 4.22 -1.63 -3.26 114.58 113.72 1u38 h GLU 59 Ca -0.00 -0.72 0.04 0.00 0.08 0.00 0.00 59.36 58.76 1u38 h GLU 59 Cb 0.33 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1u38 h GLU 59 CO 0.00 1.32 0.16 0.87 -2.18 0.00 0.00 179.01 179.18 1u38 h LYS 60 N 0.23 0.33 0.00 1.92 1.57 -0.77 -3.26 116.57 116.59 1u38 h LYS 60 Ca -0.17 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1u38 h LYS 60 Cb 1.90 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1u38 h LYS 60 CO 0.22 0.22 0.00 0.43 -0.57 0.00 0.00 179.45 179.75 1u38 n SER 61 N -4.97 0.00 0.00 0.86 7.64 -0.44 -4.97 113.62 111.75 1u38 n SER 61 Ca 0.02 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1u38 n SER 61 Cb 0.12 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1u38 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u38 n GLY 62 N -0.82 1.56 0.03 0.23 0.00 -1.23 -5.00 105.19 99.96 1u38 n GLY 62 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1u38 n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u38 n LYS 63 N -0.53 1.20 -3.65 1.61 5.02 -1.26 -4.93 118.16 115.61 1u38 n LYS 63 Ca 0.00 -0.06 -0.38 0.00 -2.02 0.00 0.00 58.31 55.85 1u38 n LYS 63 Cb 0.00 -1.30 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 1u38 n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u38 s LEU 64 N -4.34 3.89 -0.00 -0.35 1.43 -1.26 -5.03 118.68 113.02 1u38 s LEU 64 Ca -0.05 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1u38 s LEU 64 Cb 0.06 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1u38 s LEU 64 CO 0.50 -0.09 -0.11 0.20 0.23 0.00 0.00 176.35 177.08 1u38 s ASN 65 N 1.68 1.30 0.42 2.29 0.01 -1.26 -4.71 114.94 114.66 1u38 s ASN 65 Ca 0.06 -0.23 -0.23 0.00 -0.71 0.00 0.00 52.86 51.76 1u38 s ASN 65 Cb -0.16 -0.13 -0.12 0.00 0.41 0.00 0.00 41.25 41.24 1u38 s ASN 65 CO 0.07 0.12 0.62 -0.38 -1.51 0.00 0.00 177.10 176.02 1u38 n ILE 66 N 2.70 1.91 -0.25 0.60 2.08 -1.26 -2.92 119.36 122.22 1u38 n ILE 66 Ca -0.14 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.67 1u38 n ILE 66 Cb 0.56 -0.63 0.00 0.00 -0.75 0.00 0.00 39.64 38.82 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 1.69 0.80 3.96 7.39 0.00 -0.61 -5.01 105.19 113.42 1u38 n GLY 67 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.28 6.33 -0.26 1.61 1.11 -1.15 -4.90 116.67 117.13 1u38 s ASP 68 Ca 0.00 0.13 0.00 0.00 0.18 0.00 0.00 52.55 52.87 1u38 s ASP 68 Cb 0.00 -1.89 0.04 0.00 1.07 0.00 0.00 42.92 42.14 1u38 s ASP 68 CO 0.00 -0.01 -0.08 -1.58 1.18 0.00 0.00 175.17 174.68 1u38 s GLN 69 N -3.59 2.51 0.22 8.23 0.74 -0.98 -1.28 119.66 125.51 1u38 s GLN 69 Ca 0.34 -1.18 -0.30 0.00 0.05 0.00 0.00 55.36 54.27 1u38 s GLN 69 Cb -0.10 -2.97 -0.08 0.00 1.10 0.00 0.00 33.01 30.96 1u38 s GLN 69 CO 0.29 -0.51 0.98 0.42 -0.55 0.00 0.00 175.29 175.92 1u38 s ILE 70 N 1.22 4.05 -0.03 -2.34 1.01 -0.68 0.10 121.20 124.53 1u38 s ILE 70 Ca -0.04 1.98 -0.04 0.00 0.00 0.00 0.00 60.65 62.54 1u38 s ILE 70 Cb -0.18 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 1u38 s ILE 70 CO -0.04 0.43 -0.07 0.23 0.00 0.00 0.00 174.94 175.49 1u38 n MET 71 N 1.74 0.11 -4.44 2.79 2.81 0.15 -3.43 117.12 116.85 1u38 n MET 71 Ca -0.01 0.04 -0.22 0.00 -1.81 0.00 0.00 57.70 55.71 1u38 n MET 71 Cb 0.47 -0.62 -0.16 0.00 -0.71 0.00 0.00 33.22 32.20 1u38 n MET 71 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1u38 s SER 72 N -4.62 1.38 -0.29 7.83 1.04 -1.00 -2.33 113.70 115.72 1u38 s SER 72 Ca -0.06 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.07 1u38 s SER 72 Cb 0.01 -0.48 -0.01 0.00 0.10 0.00 0.00 66.02 65.64 1u38 s SER 72 CO 0.09 0.05 0.11 -0.63 0.98 0.00 0.00 173.24 173.84 1u38 s ILE 73 N 0.40 4.40 -1.59 -1.02 1.09 -0.67 -0.34 121.20 123.46 1u38 s ILE 73 Ca -0.07 -0.37 0.00 0.00 -1.10 0.00 0.00 60.65 59.11 1u38 s ILE 73 Cb -0.11 -3.18 0.00 0.00 -1.06 0.00 0.00 42.46 38.10 1u38 s ILE 73 CO 0.01 0.17 0.00 0.59 -0.10 0.00 0.00 174.94 175.61 1u38 n ASN 74 N 4.94 -4.99 0.00 3.58 3.02 0.21 -1.01 115.26 121.02 1u38 n ASN 74 Ca -0.15 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1u38 n ASN 74 Cb 0.50 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 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 -0.77 2.25 3.55 7.41 0.00 -1.26 -5.02 105.19 111.34 1u38 n GLY 75 Ca -0.20 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.32 3.06 -0.34 2.61 2.01 -0.18 -4.91 115.64 115.56 1u38 s THR 76 Ca 0.00 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 1u38 s THR 76 Cb 0.00 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1u38 s THR 76 CO 0.00 -0.16 1.14 -0.44 -0.69 0.00 0.00 174.62 174.47 1u38 s SER 77 N 11.52 6.82 -0.18 3.53 0.01 -1.26 -1.67 113.70 132.47 1u38 s SER 77 Ca 0.93 0.98 0.15 0.00 1.31 0.00 0.00 55.95 59.31 1u38 s SER 77 Cb -0.16 -2.54 0.37 0.00 0.21 0.00 0.00 66.02 63.89 1u38 s SER 77 CO 0.25 -1.00 1.21 0.00 0.41 0.00 0.00 173.24 174.11 1u38 n LEU 78 N 7.23 2.66 -4.56 2.44 -0.00 -0.98 -4.96 117.00 118.82 1u38 n LEU 78 Ca 0.13 -3.50 -0.31 0.00 -0.00 0.00 0.00 56.01 52.32 1u38 n LEU 78 Cb 0.47 -0.49 -0.04 0.00 -0.00 0.00 0.00 43.42 43.36 1u38 n LEU 78 CO 0.62 1.06 1.44 -0.69 -0.00 0.00 0.00 177.39 179.82 1u38 s VAL 79 N -3.06 3.61 0.00 1.47 1.01 -1.24 -2.23 120.40 119.95 1u38 s VAL 79 Ca 0.36 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1u38 s VAL 79 Cb 0.33 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1u38 s VAL 79 CO -0.02 -1.24 0.00 0.61 0.00 0.00 0.00 175.10 174.45 1u38 n GLY 80 N 6.62 1.16 3.86 4.51 0.00 0.32 -4.84 105.19 116.82 1u38 n GLY 80 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 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 3.46 0.00 0.99 1.43 -0.95 -5.00 118.68 118.61 1u38 s LEU 81 Ca 0.00 1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 54.45 1u38 s LEU 81 Cb 0.00 -4.45 0.19 0.00 0.03 0.00 0.00 46.19 41.95 1u38 s LEU 81 CO 0.00 -0.70 0.48 -0.81 0.23 0.00 0.00 176.35 175.55 1u38 n PRO 82 N -2.10 -3.11 -0.00 1.29 -0.04 -1.26 -4.80 135.00 124.98 1u38 n PRO 82 Ca 0.06 -0.79 -0.17 0.00 -0.04 0.00 0.00 63.50 62.56 1u38 n PRO 82 Cb 0.54 -0.94 -0.13 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.95 1.53 5.85 -1.95 -2.85 115.31 117.26 1u38 h LEU 83 Ca -0.20 -0.88 0.13 0.00 0.84 0.00 0.00 57.88 57.77 1u38 h LEU 83 Cb 0.67 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 1u38 h LEU 83 CO 0.13 1.17 0.57 0.77 -0.34 0.00 0.00 178.44 180.73 1u38 h SER 84 N -0.49 0.79 0.06 1.25 4.64 -1.97 0.15 113.55 117.98 1u38 h SER 84 Ca -0.07 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1u38 h SER 84 Cb 1.28 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1u38 h SER 84 CO 0.09 0.39 -0.03 0.74 -0.87 0.00 0.00 176.83 177.14 1u38 h THR 85 N 0.85 1.13 0.36 2.95 2.02 -1.93 -2.27 112.91 116.02 1u38 h THR 85 Ca 0.49 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1u38 h THR 85 Cb 0.58 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1u38 h THR 85 CO -0.30 0.17 -0.37 0.00 0.37 0.00 0.00 175.52 175.38 1u38 h GLN 87 N -0.76 0.66 -0.29 0.00 3.07 -1.06 0.86 115.11 117.57 1u38 h GLN 87 Ca -0.02 -0.04 -0.05 0.00 0.09 0.00 0.00 58.65 58.63 1u38 h GLN 87 Cb 0.69 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 28.08 1u38 h GLN 87 CO -0.08 0.43 -0.02 1.03 0.09 0.00 0.00 178.83 180.29 1u38 h SER 88 N 0.68 0.42 -0.11 0.06 0.87 -0.71 0.52 113.55 115.27 1u38 h SER 88 Ca 0.60 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 61.10 1u38 h SER 88 Cb 1.02 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 1u38 h SER 88 CO -0.42 0.50 0.03 0.40 -0.53 0.00 0.00 176.83 176.80 1u38 h ILE 89 N 0.43 0.96 -0.08 2.23 1.08 0.26 -0.66 117.51 121.73 1u38 h ILE 89 Ca 0.09 -0.03 -0.05 0.00 -0.39 0.00 0.00 64.86 64.49 1u38 h ILE 89 Cb 0.31 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1u38 h ILE 89 CO 0.01 0.01 -0.14 0.40 -0.69 0.00 0.00 178.15 177.75 1u38 h ILE 90 N 0.08 1.40 -0.16 -0.67 2.04 -1.14 -3.02 117.51 116.03 1u38 h ILE 90 Ca 0.05 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.55 1u38 h ILE 90 Cb 0.03 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1u38 h ILE 90 CO -0.06 0.39 0.25 0.11 0.00 0.00 0.00 178.15 178.85 1u38 h LYS 91 N -0.23 0.00 0.00 2.37 1.57 -0.80 0.69 116.57 120.17 1u38 h LYS 91 Ca 0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.58 1u38 h LYS 91 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1u38 h LYS 91 CO 0.03 0.00 -0.90 0.78 -0.57 0.00 0.00 179.45 178.79 1u38 h GLY 92 N 0.00 0.31 -4.55 3.86 0.00 -0.99 -3.28 103.07 98.43 1u38 h GLY 92 Ca 0.07 -0.55 -0.70 0.00 0.00 0.00 0.00 47.33 46.16 1u38 h GLY 92 CO -0.00 0.48 0.63 1.47 0.00 0.00 0.00 176.54 179.12 1u38 n LEU 93 N -3.69 7.01 0.14 3.11 -0.00 0.22 -4.58 117.00 119.21 1u38 n LEU 93 Ca -0.05 -4.72 0.05 0.00 -0.00 0.00 0.00 56.01 51.29 1u38 n LEU 93 Cb 0.82 -0.90 0.04 0.00 -0.00 0.00 0.00 43.42 43.37 1u38 n LEU 93 CO 0.49 1.77 0.41 0.07 -0.00 0.00 0.00 177.39 180.13 1u38 h LYS 94 N 2.59 0.00 -1.55 1.47 5.09 -1.60 -3.31 116.57 119.26 1u38 h LYS 94 Ca 0.53 0.00 -0.44 0.00 0.09 0.00 0.00 60.65 60.83 1u38 h LYS 94 Cb 0.49 0.00 -0.18 0.00 0.10 0.00 0.00 32.23 32.64 1u38 h LYS 94 CO 1.35 0.32 0.52 0.27 -2.09 0.00 0.00 179.45 179.82 1u38 n ASN 95 N -3.10 6.73 -4.48 7.07 0.23 -1.26 -3.93 115.26 116.51 1u38 n ASN 95 Ca 0.01 -3.25 -0.33 0.00 -0.53 0.00 0.00 54.58 50.48 1u38 n ASN 95 Cb 0.69 -1.08 -0.13 0.00 -2.08 0.00 0.00 39.78 37.18 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 -2.23 2.97 0.08 -3.83 -0.21 -1.25 -4.88 119.66 110.31 1u38 s GLN 96 Ca 0.43 -0.63 0.26 0.00 0.02 0.00 0.00 55.36 55.45 1u38 s GLN 96 Cb 0.33 -2.58 1.04 0.00 1.00 0.00 0.00 33.01 32.80 1u38 s GLN 96 CO -0.07 0.47 1.83 0.45 -2.12 0.00 0.00 175.29 175.86 1u38 n SER 97 N 2.78 0.28 -3.72 5.90 2.88 -1.26 -4.46 113.62 116.03 1u38 n SER 97 Ca -0.18 0.53 -0.13 0.00 -1.33 0.00 0.00 58.87 57.76 1u38 n SER 97 Cb 0.53 -0.61 -0.14 0.00 -0.75 0.00 0.00 64.21 63.24 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 -3.05 0.15 -0.36 -1.46 3.52 -1.26 -1.16 118.95 115.33 1u38 s ARG 98 Ca 0.12 0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 56.21 1u38 s ARG 98 Cb 0.16 -0.14 0.08 0.00 -1.56 0.00 0.00 34.95 33.49 1u38 s ARG 98 CO 0.52 -0.20 0.13 0.08 -0.81 0.00 0.00 175.30 175.02 1u38 s VAL 99 N 1.52 3.29 -0.14 7.11 1.01 -0.41 -4.95 120.40 127.83 1u38 s VAL 99 Ca -0.06 -1.69 -0.22 0.00 0.00 0.00 0.00 61.98 60.01 1u38 s VAL 99 Cb -0.11 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1u38 s VAL 99 CO -0.08 -0.42 0.67 -0.75 0.00 0.00 0.00 175.10 174.52 1u38 s LYS 100 N 1.22 4.32 -0.08 2.72 2.20 -1.26 -1.71 119.74 127.15 1u38 s LYS 100 Ca 0.02 0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 56.37 1u38 s LYS 100 Cb -0.21 -3.52 0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1u38 s LYS 100 CO -0.02 -0.11 0.04 -0.51 -0.36 0.00 0.00 175.35 174.39 1u38 s LEU 101 N 1.42 0.44 -0.71 5.43 1.43 0.12 0.67 118.68 127.48 1u38 s LEU 101 Ca 0.33 -0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 53.06 1u38 s LEU 101 Cb -0.17 -0.32 0.09 0.00 0.03 0.00 0.00 46.19 45.83 1u38 s LEU 101 CO 0.13 -0.25 0.96 0.20 0.23 0.00 0.00 176.35 177.63 1u38 s ASN 102 N 2.06 6.28 0.43 2.29 0.02 0.53 0.11 114.94 126.65 1u38 s ASN 102 Ca 0.04 -1.30 0.05 0.00 -1.02 0.00 0.00 52.86 50.63 1u38 s ASN 102 Cb -0.13 -2.40 -0.06 0.00 0.02 0.00 0.00 41.25 38.68 1u38 s ASN 102 CO -0.05 -1.31 0.02 0.27 0.02 0.00 0.00 177.10 176.05 1u38 s ILE 103 N 3.55 1.62 -0.28 0.60 -4.36 -0.78 0.30 121.20 121.85 1u38 s ILE 103 Ca 0.23 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.61 1u38 s ILE 103 Cb -0.15 -2.72 0.05 0.00 1.25 0.00 0.00 42.46 40.89 1u38 s ILE 103 CO 0.05 0.00 -0.03 -0.69 0.24 0.00 0.00 174.94 174.51 1u38 s VAL 104 N -2.84 2.79 -2.07 8.37 1.01 0.11 0.11 120.40 127.88 1u38 s VAL 104 Ca 0.27 -1.39 0.31 0.00 0.00 0.00 0.00 61.98 61.17 1u38 s VAL 104 Cb 0.07 -2.58 0.86 0.00 0.00 0.00 0.00 36.38 34.73 1u38 s VAL 104 CO 0.13 -0.04 2.16 -1.14 0.00 0.00 0.00 175.10 176.21