#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 2.34 -3.63 4.31 3.72 -1.26 -0.76 117.46 122.19 1u38 n PHE 18 Ca 0.00 0.45 -0.04 0.00 -0.05 0.00 0.00 57.45 57.81 1u38 n PHE 18 Cb 0.00 -2.39 -0.06 0.00 -0.94 0.00 0.00 39.48 36.09 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 -2.56 0.52 -0.59 -1.08 0.00 0.20 -4.89 119.74 111.34 1u38 s LYS 19 Ca 0.66 0.96 -0.27 0.00 0.00 0.00 0.00 55.97 57.31 1u38 s LYS 19 Cb -0.45 0.19 -0.01 0.00 0.00 0.00 0.00 37.83 37.56 1u38 s LYS 19 CO 0.54 -0.12 1.74 -0.51 0.00 0.00 0.00 175.35 177.00 1u38 s ASP 20 N 1.67 5.53 -0.33 0.03 1.11 -1.26 -2.16 116.67 121.24 1u38 s ASP 20 Ca -0.09 0.35 -0.27 0.00 0.18 0.00 0.00 52.55 52.72 1u38 s ASP 20 Cb -0.05 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.42 1u38 s ASP 20 CO -0.17 -2.18 0.99 -0.69 1.18 0.00 0.00 175.17 174.30 1u38 s VAL 21 N 8.16 4.57 -0.33 -1.27 1.01 0.27 -4.88 120.40 127.93 1u38 s VAL 21 Ca 0.63 1.48 0.00 0.00 0.00 0.00 0.00 61.98 64.10 1u38 s VAL 21 Cb -0.13 -4.35 0.08 0.00 0.00 0.00 0.00 36.38 31.98 1u38 s VAL 21 CO 0.22 -0.47 0.05 0.12 0.00 0.00 0.00 175.10 175.03 1u38 s PHE 22 N 3.50 3.49 -0.52 5.22 5.36 -1.25 0.17 117.98 133.95 1u38 s PHE 22 Ca 0.41 -2.40 -0.13 0.00 -0.96 0.00 0.00 56.93 53.85 1u38 s PHE 22 Cb -0.12 -2.61 0.13 0.00 -0.34 0.00 0.00 43.02 40.07 1u38 s PHE 22 CO 0.16 -0.90 0.44 0.42 -1.46 0.00 0.00 175.22 173.88 1u38 s ILE 23 N 1.10 4.75 -0.45 3.12 -1.09 -0.56 -4.88 121.20 123.20 1u38 s ILE 23 Ca 0.02 -1.68 -0.29 0.00 -2.23 0.00 0.00 60.65 56.47 1u38 s ILE 23 Cb -0.20 -4.08 0.02 0.00 -1.58 0.00 0.00 42.46 36.62 1u38 s ILE 23 CO -0.04 -0.83 1.28 -1.61 -1.23 0.00 0.00 174.94 172.51 1u38 s GLU 24 N 1.42 3.63 0.03 2.79 2.02 -1.26 -1.49 118.70 125.84 1u38 s GLU 24 Ca 0.05 0.74 0.01 0.00 0.02 0.00 0.00 54.97 55.79 1u38 s GLU 24 Cb -0.27 -3.97 -0.00 0.00 0.10 0.00 0.00 34.13 29.98 1u38 s GLU 24 CO 0.01 -1.50 0.02 0.36 0.02 0.00 0.00 175.26 174.17 1u38 n LYS 25 N 7.99 0.43 -4.21 1.61 2.85 -0.54 -4.99 118.16 121.30 1u38 n LYS 25 Ca 0.14 -0.32 -0.27 0.00 -1.05 0.00 0.00 58.31 56.81 1u38 n LYS 25 Cb 0.48 0.22 -0.08 0.00 -0.65 0.00 0.00 35.03 35.01 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 -2.14 2.35 0.75 -1.58 1.11 -1.26 -4.33 119.66 114.56 1u38 s GLN 26 Ca 0.03 -1.11 -0.15 0.00 0.01 0.00 0.00 55.36 54.14 1u38 s GLN 26 Cb 0.00 -2.34 0.02 0.00 -1.01 0.00 0.00 33.01 29.68 1u38 s GLN 26 CO 0.02 0.46 0.97 1.63 0.01 0.00 0.00 175.29 178.38 1u38 n LYS 27 N -0.01 0.41 -1.04 2.91 5.02 -1.25 -2.48 118.16 121.71 1u38 n LYS 27 Ca -0.10 0.20 -0.01 0.00 -2.02 0.00 0.00 58.31 56.37 1u38 n LYS 27 Cb 0.55 -2.23 -0.01 0.00 -0.02 0.00 0.00 35.03 33.32 1u38 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u38 n GLY 28 N 1.04 0.46 1.06 0.72 0.00 -1.08 -4.86 105.19 102.53 1u38 n GLY 28 Ca 0.13 -0.15 0.02 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 -1.90 1.53 0.00 1.61 1.02 -1.04 -5.02 120.64 116.85 1u38 n GLU 29 Ca -0.01 -3.16 0.00 0.00 -0.02 0.00 0.00 57.16 53.97 1u38 n GLU 29 Cb 0.18 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 -0.71 0.00 0.00 -3.67 -5.35 -1.26 -4.39 119.36 103.97 1u38 n ILE 30 Ca 0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.67 1u38 n ILE 30 Cb 0.82 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 -1.09 7.28 7.94 -1.26 -4.83 117.00 125.04 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 0.45 3.26 -3.96 0.00 -1.26 -2.73 105.19 100.95 1u38 n GLY 32 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.72 0.09 -0.11 1.61 -7.23 -1.26 0.14 120.40 110.91 1u38 s VAL 33 Ca 0.00 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 1u38 s VAL 33 Cb 0.00 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 1u38 s VAL 33 CO 0.00 -0.40 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.51 1u38 s VAL 34 N -2.85 2.45 0.14 1.32 1.01 0.27 -4.90 120.40 117.84 1u38 s VAL 34 Ca -0.03 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.17 1u38 s VAL 34 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1u38 s VAL 34 CO -0.05 0.54 -0.22 0.27 0.00 0.00 0.00 175.10 175.64 1u38 s ILE 35 N 0.37 2.57 0.18 2.22 -4.36 -1.26 -0.66 121.20 120.27 1u38 s ILE 35 Ca -0.15 -1.68 -0.09 0.00 -0.26 0.00 0.00 60.65 58.47 1u38 s ILE 35 Cb -0.17 -2.18 -0.01 0.00 1.25 0.00 0.00 42.46 41.35 1u38 s ILE 35 CO 0.07 0.06 0.30 0.68 0.24 0.00 0.00 174.94 176.29 1u38 s VAL 36 N -1.21 0.05 0.23 8.37 -7.23 -0.33 -4.84 120.40 115.44 1u38 s VAL 36 Ca 0.17 -1.46 -0.32 0.00 -1.81 0.00 0.00 61.98 58.57 1u38 s VAL 36 Cb -0.10 -1.98 -0.13 0.00 0.56 0.00 0.00 36.38 34.73 1u38 s VAL 36 CO 0.09 -0.21 1.51 -0.62 -0.31 0.00 0.00 175.10 175.55 1u38 n GLU 37 N -0.25 2.26 -2.29 4.82 1.02 -1.26 0.83 120.64 125.77 1u38 n GLU 37 Ca -0.05 0.81 -0.34 0.00 -0.02 0.00 0.00 57.16 57.55 1u38 n GLU 37 Cb 0.63 -2.53 -0.04 0.00 -0.02 0.00 0.00 31.44 29.49 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 0.53 5.81 0.00 1.62 1.04 -0.37 -4.62 113.70 117.71 1u38 s SER 38 Ca 0.70 -1.68 0.30 0.00 0.48 0.00 0.00 55.95 55.75 1u38 s SER 38 Cb -0.61 -2.58 1.41 0.00 0.10 0.00 0.00 66.02 64.34 1u38 s SER 38 CO 0.46 -2.21 1.97 0.61 0.98 0.00 0.00 173.24 175.04 1u38 n GLY 39 N 6.05 -0.99 0.00 7.32 0.00 -1.26 -4.60 105.19 111.71 1u38 n GLY 39 Ca 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.98 -1.06 0.06 1.61 4.27 -1.26 -4.66 117.44 115.42 1u38 n TRP 40 Ca 0.16 0.00 0.21 0.00 -3.89 0.00 0.00 57.50 53.98 1u38 n TRP 40 Cb 0.24 0.00 0.67 0.00 -1.36 0.00 0.00 31.31 30.87 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 -0.31 0.00 -2.28 -1.67 0.00 -2.02 -3.45 103.07 93.34 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 -3.49 -1.83 -0.00 0.19 7.64 -1.26 -4.98 113.62 109.88 1u38 n SER 42 Ca 0.09 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.88 1u38 n SER 42 Cb 0.79 -0.46 0.06 0.00 -1.01 0.00 0.00 64.21 63.60 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 1.31 -2.03 0.44 2.04 -1.93 -3.42 117.51 113.93 1u38 h ILE 43 Ca 0.00 -1.73 -0.18 0.00 1.00 0.00 0.00 64.86 63.95 1u38 h ILE 43 Cb 0.91 1.70 -0.31 0.00 -0.74 0.00 0.00 36.82 38.38 1u38 h ILE 43 CO 0.00 0.54 -0.51 -0.76 0.00 0.00 0.00 178.15 177.42 1u38 s LEU 44 N -8.42 -0.53 -0.85 1.44 1.02 -1.26 -5.08 118.68 105.00 1u38 s LEU 44 Ca -0.08 0.15 -0.22 0.00 0.02 0.00 0.00 54.13 54.00 1u38 s LEU 44 Cb 0.12 0.97 -0.18 0.00 0.02 0.00 0.00 46.19 47.11 1u38 s LEU 44 CO 0.84 -0.30 2.19 -0.81 0.02 0.00 0.00 176.35 178.28 1u38 n PRO 45 N 5.36 0.30 0.00 1.29 -0.04 -1.26 -4.76 135.00 135.89 1u38 n PRO 45 Ca -0.04 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1u38 n PRO 45 Cb 0.50 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 1u38 n PRO 45 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1u38 n THR 46 N 8.19 0.00 -4.06 0.52 -2.24 -1.26 0.11 114.28 115.54 1u38 n THR 46 Ca 0.44 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 62.00 1u38 n THR 46 Cb 0.41 0.00 -0.05 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 0.07 3.89 -0.07 2.28 -7.23 -1.24 -1.24 120.40 116.87 1u38 s VAL 47 Ca 0.00 -1.51 0.05 0.00 -1.81 0.00 0.00 61.98 58.71 1u38 s VAL 47 Cb 0.00 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.72 1u38 s VAL 47 CO 0.00 -0.29 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.63 1u38 s ILE 48 N -2.24 2.02 -0.92 -0.62 1.01 0.24 -2.54 121.20 118.16 1u38 s ILE 48 Ca 0.35 -1.03 -0.24 0.00 0.00 0.00 0.00 60.65 59.73 1u38 s ILE 48 Cb -0.06 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1u38 s ILE 48 CO 0.24 0.56 1.75 -0.63 0.00 0.00 0.00 174.94 176.86 1u38 s ILE 49 N 0.05 3.61 -0.73 2.92 1.01 -1.06 -1.19 121.20 125.82 1u38 s ILE 49 Ca -0.10 -0.44 0.25 0.00 0.00 0.00 0.00 60.65 60.36 1u38 s ILE 49 Cb -0.15 -4.39 0.09 0.00 0.01 0.00 0.00 42.46 38.02 1u38 s ILE 49 CO 0.06 -1.32 1.45 0.00 0.00 0.00 0.00 174.94 175.13 1u38 n ALA 50 N 12.00 2.87 -3.20 9.38 0.00 0.16 -1.24 120.51 140.48 1u38 n ALA 50 Ca 0.35 -0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 1u38 n ALA 50 Cb 0.49 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 -4.03 -0.39 -0.19 0.00 3.84 -1.16 -4.96 114.94 108.04 1u38 s ASN 51 Ca 0.08 -0.14 -0.11 0.00 0.21 0.00 0.00 52.86 52.90 1u38 s ASN 51 Cb 0.14 0.53 0.06 0.00 -0.55 0.00 0.00 41.25 41.43 1u38 s ASN 51 CO 0.69 -0.89 0.47 -0.32 -2.79 0.00 0.00 177.10 174.26 1u38 s MET 52 N -3.67 0.47 -0.74 0.43 -2.45 -1.26 0.98 119.30 113.06 1u38 s MET 52 Ca 0.01 0.87 -0.26 0.00 -1.25 0.00 0.00 55.69 55.07 1u38 s MET 52 Cb 0.00 0.03 -0.08 0.00 1.25 0.00 0.00 34.83 36.04 1u38 s MET 52 CO -0.12 -0.15 2.16 -1.64 1.05 0.00 0.00 175.02 176.33 1u38 s MET 53 N 1.37 2.18 -0.97 4.11 -1.94 0.12 -4.83 119.30 119.35 1u38 s MET 53 Ca -0.09 0.44 -0.24 0.00 -1.71 0.00 0.00 55.69 54.09 1u38 s MET 53 Cb -0.07 -4.76 -0.21 0.00 2.01 0.00 0.00 34.83 31.79 1u38 s MET 53 CO -0.13 -3.58 2.02 0.72 -0.01 0.00 0.00 175.02 174.03 1u38 n HIS 54 N 15.62 0.81 0.00 -0.03 8.25 -1.26 -1.12 115.22 137.48 1u38 n HIS 54 Ca 0.38 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1u38 n HIS 54 Cb 0.48 -2.39 0.00 0.00 1.12 0.00 0.00 29.99 29.20 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 5.99 0.39 0.76 -1.41 0.00 -1.26 -5.10 105.19 104.56 1u38 n GLY 55 Ca 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.21 0.12 -0.02 0.00 -0.28 -4.79 105.19 98.02 1u38 n GLY 56 Ca 0.00 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.63 1u38 n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u38 n PRO 57 N -2.06 0.18 0.11 1.61 -0.04 -1.23 -2.72 135.00 130.84 1u38 n PRO 57 Ca 0.03 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.78 1u38 n PRO 57 Cb 0.12 -1.85 -0.08 0.00 -0.04 0.00 0.00 33.50 31.65 1u38 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u38 h ALA 58 N 2.27 -0.25 0.22 0.55 0.00 -1.81 -2.16 119.26 118.08 1u38 h ALA 58 Ca 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.45 1u38 h ALA 58 Cb 0.34 0.10 0.04 0.00 0.00 0.00 0.00 17.79 18.27 1u38 h ALA 58 CO 0.00 -0.54 -1.40 1.05 0.00 0.00 0.00 179.25 178.35 1u38 h GLU 59 N -0.45 0.56 -0.61 0.00 4.11 -1.83 -3.28 114.58 113.08 1u38 h GLU 59 Ca -0.03 -0.90 0.12 0.00 0.07 0.00 0.00 59.36 58.63 1u38 h GLU 59 Cb 0.35 0.33 -0.09 0.00 0.50 0.00 0.00 28.75 29.83 1u38 h GLU 59 CO 0.04 1.42 0.09 0.87 0.07 0.00 0.00 179.01 181.50 1u38 h LYS 60 N 0.16 0.20 0.00 1.06 1.57 -1.57 -3.08 116.57 114.91 1u38 h LYS 60 Ca -0.24 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1u38 h LYS 60 Cb 2.09 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.36 1u38 h LYS 60 CO 0.26 0.13 0.00 0.43 -0.57 0.00 0.00 179.45 179.71 1u38 n SER 61 N -5.18 0.00 0.00 0.86 7.64 -0.81 -4.97 113.62 111.15 1u38 n SER 61 Ca 0.09 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1u38 n SER 61 Cb 0.34 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.94 1.65 0.08 0.23 0.00 -1.16 -5.01 105.19 100.04 1u38 n GLY 62 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.44 0.83 -4.09 1.61 4.76 -1.26 -4.94 118.16 114.64 1u38 n LYS 63 Ca 0.00 -0.04 -0.35 0.00 -2.87 0.00 0.00 58.31 55.05 1u38 n LYS 63 Cb 0.00 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.61 1u38 n LYS 63 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1u38 s LEU 64 N -5.26 3.86 -0.06 -0.35 1.43 -1.26 -4.92 118.68 112.12 1u38 s LEU 64 Ca -0.09 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 1u38 s LEU 64 Cb 0.07 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.38 1u38 s LEU 64 CO 0.80 0.28 0.12 0.20 0.23 0.00 0.00 176.35 177.97 1u38 s ASN 65 N -0.26 0.18 0.31 2.29 0.01 -1.26 -4.72 114.94 111.50 1u38 s ASN 65 Ca 0.08 0.24 -0.25 0.00 -0.71 0.00 0.00 52.86 52.21 1u38 s ASN 65 Cb -0.12 0.13 -0.15 0.00 0.41 0.00 0.00 41.25 41.52 1u38 s ASN 65 CO 0.02 -0.17 0.54 -0.38 -1.51 0.00 0.00 177.10 175.59 1u38 n ILE 66 N 4.50 1.70 -0.36 0.60 2.08 -1.26 -2.99 119.36 123.63 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 0.51 -0.31 0.00 0.00 -0.75 0.00 0.00 39.64 39.09 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 1.87 0.79 3.98 7.39 0.00 -0.37 -5.02 105.19 113.82 1u38 n GLY 67 Ca 0.14 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.27 4.88 -0.14 1.61 1.01 -1.16 -4.92 116.67 115.69 1u38 s ASP 68 Ca 0.00 -1.04 -0.02 0.00 0.71 0.00 0.00 52.55 52.20 1u38 s ASP 68 Cb 0.00 0.39 0.04 0.00 1.01 0.00 0.00 42.92 44.36 1u38 s ASP 68 CO 0.00 -1.26 0.01 -1.10 0.21 0.00 0.00 175.17 173.03 1u38 s GLN 69 N -4.51 0.73 -0.16 8.23 -1.52 -0.76 -2.55 119.66 119.12 1u38 s GLN 69 Ca 0.50 -0.21 -0.22 0.00 -1.95 0.00 0.00 55.36 53.48 1u38 s GLN 69 Cb -0.04 -1.62 -0.03 0.00 -0.22 0.00 0.00 33.01 31.10 1u38 s GLN 69 CO 0.31 -0.47 0.67 0.42 -0.25 0.00 0.00 175.29 175.98 1u38 s ILE 70 N 1.88 5.01 -0.13 1.08 1.01 -1.05 0.14 121.20 129.13 1u38 s ILE 70 Ca 0.02 1.31 -0.16 0.00 0.00 0.00 0.00 60.65 61.82 1u38 s ILE 70 Cb -0.15 -3.99 -0.25 0.00 0.01 0.00 0.00 42.46 38.08 1u38 s ILE 70 CO -0.07 0.13 0.44 0.24 0.00 0.00 0.00 174.94 175.68 1u38 h MET 71 N 7.27 0.18 -2.14 2.79 2.86 -0.60 -3.28 114.93 122.01 1u38 h MET 71 Ca -0.33 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 56.94 1u38 h MET 71 Cb 1.15 0.11 -0.20 0.00 0.06 0.00 0.00 31.60 32.72 1u38 h MET 71 CO 0.78 1.15 0.09 -1.54 1.06 0.00 0.00 176.91 178.45 1u38 s SER 72 N -6.96 -0.65 -0.14 1.22 1.04 -1.18 0.13 113.70 107.17 1u38 s SER 72 Ca -0.23 1.01 0.02 0.00 0.48 0.00 0.00 55.95 57.24 1u38 s SER 72 Cb 0.05 0.97 0.00 0.00 0.10 0.00 0.00 66.02 67.14 1u38 s SER 72 CO 0.72 -0.40 -0.20 -0.63 0.98 0.00 0.00 173.24 173.71 1u38 s ILE 73 N -0.37 2.28 -1.34 -1.02 1.09 -0.66 -0.68 121.20 120.49 1u38 s ILE 73 Ca -0.05 -0.91 0.00 0.00 -1.10 0.00 0.00 60.65 58.58 1u38 s ILE 73 Cb -0.03 -1.92 0.00 0.00 -1.06 0.00 0.00 42.46 39.45 1u38 s ILE 73 CO 0.05 0.54 0.00 0.59 -0.10 0.00 0.00 174.94 176.02 1u38 n ASN 74 N 3.93 -4.24 0.00 3.58 3.02 0.13 -0.17 115.26 121.51 1u38 n ASN 74 Ca -0.19 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1u38 n ASN 74 Cb 0.52 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 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 -0.68 3.27 3.56 7.41 0.00 -1.26 -5.02 105.19 112.47 1u38 n GLY 75 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 3.31 -0.26 2.61 2.01 0.77 -4.91 115.64 116.27 1u38 s THR 76 Ca 0.00 0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 1u38 s THR 76 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1u38 s THR 76 CO 0.00 -0.69 1.89 -0.44 -0.69 0.00 0.00 174.62 174.70 1u38 s SER 77 N 8.53 5.88 0.17 3.53 0.01 -1.26 -1.66 113.70 128.90 1u38 s SER 77 Ca 0.74 1.59 0.22 0.00 1.31 0.00 0.00 55.95 59.81 1u38 s SER 77 Cb -0.15 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 1u38 s SER 77 CO 0.23 -1.67 0.96 0.18 0.41 0.00 0.00 173.24 173.36 1u38 n LEU 78 N 10.23 0.77 -4.53 2.44 4.77 0.35 -4.68 117.00 126.35 1u38 n LEU 78 Ca 0.24 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 56.38 1u38 n LEU 78 Cb 0.46 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 1u38 n LEU 78 CO 0.67 -0.13 1.39 0.52 -1.33 0.00 0.00 177.39 178.51 1u38 n VAL 79 N -2.66 0.00 0.00 4.08 0.31 -0.53 -0.06 118.33 119.47 1u38 n VAL 79 Ca -0.02 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1u38 n VAL 79 Cb 0.59 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 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 6.36 1.20 3.82 2.92 0.00 0.30 -4.93 105.19 114.86 1u38 n GLY 80 Ca 0.50 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 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 3.70 0.00 0.99 1.43 0.92 -5.04 118.68 120.68 1u38 s LEU 81 Ca 0.00 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 1u38 s LEU 81 Cb 0.00 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1u38 s LEU 81 CO 0.00 -0.72 0.00 -0.81 0.23 0.00 0.00 176.35 175.05 1u38 n PRO 82 N -1.37 -0.71 -0.05 1.29 -0.04 -1.26 -4.82 135.00 128.03 1u38 n PRO 82 Ca 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 1u38 n PRO 82 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.02 -0.96 1.53 6.46 -1.96 -2.67 115.31 117.69 1u38 h LEU 83 Ca 0.00 -0.71 0.15 0.00 -0.12 0.00 0.00 57.88 57.20 1u38 h LEU 83 Cb 0.00 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 39.84 1u38 h LEU 83 CO 0.00 0.80 0.57 0.77 -0.62 0.00 0.00 178.44 179.96 1u38 h SER 84 N -0.94 0.78 0.02 1.25 4.64 -1.97 0.24 113.55 117.57 1u38 h SER 84 Ca -0.00 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1u38 h SER 84 Cb 0.73 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1u38 h SER 84 CO 0.00 0.36 -0.01 0.74 -0.87 0.00 0.00 176.83 177.06 1u38 h THR 85 N 0.83 1.18 -0.02 2.95 2.02 -1.94 -2.37 112.91 115.56 1u38 h THR 85 Ca 0.51 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1u38 h THR 85 Cb 0.64 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1u38 h THR 85 CO -0.32 0.15 -0.04 0.00 0.37 0.00 0.00 175.52 175.68 1u38 h GLN 87 N -0.06 0.40 -0.82 0.00 4.20 -0.56 0.37 115.11 118.64 1u38 h GLN 87 Ca 0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1u38 h GLN 87 Cb 0.08 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1u38 h GLN 87 CO -0.05 0.26 0.46 0.77 -0.67 0.00 0.00 178.83 179.61 1u38 h SER 88 N 0.41 1.01 -0.08 1.46 0.02 -0.85 -1.40 113.55 114.12 1u38 h SER 88 Ca 0.49 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1u38 h SER 88 Cb 0.85 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1u38 h SER 88 CO -0.48 0.80 -0.03 0.40 -1.14 0.00 0.00 176.83 176.38 1u38 h ILE 89 N 1.14 0.90 0.01 3.27 1.08 0.44 -0.97 117.51 123.38 1u38 h ILE 89 Ca 0.29 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.76 1u38 h ILE 89 Cb 0.00 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1u38 h ILE 89 CO -0.05 0.00 -0.01 0.40 -0.69 0.00 0.00 178.15 177.80 1u38 h ILE 90 N -0.02 1.28 -0.00 -0.67 2.04 -1.19 -2.86 117.51 116.09 1u38 h ILE 90 Ca 0.04 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1u38 h ILE 90 Cb 0.08 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1u38 h ILE 90 CO -0.09 0.23 0.02 0.07 0.00 0.00 0.00 178.15 178.38 1u38 h LYS 91 N -0.41 0.00 -0.17 2.37 5.09 -1.23 -1.45 116.57 120.77 1u38 h LYS 91 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 60.53 1u38 h LYS 91 Cb 0.39 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.73 1u38 h LYS 91 CO 0.00 0.00 -0.72 0.78 -2.09 0.00 0.00 179.45 177.42 1u38 h GLY 92 N 0.00 0.82 -4.24 0.07 0.00 -0.94 -3.24 103.07 95.54 1u38 h GLY 92 Ca 0.00 -1.11 -0.52 0.00 0.00 0.00 0.00 47.33 45.70 1u38 h GLY 92 CO -0.00 0.99 0.58 1.47 0.00 0.00 0.00 176.54 179.58 1u38 n LEU 93 N -3.94 6.83 -0.14 3.11 -0.00 -0.55 -4.41 117.00 117.90 1u38 n LEU 93 Ca -0.06 -4.02 0.13 0.00 -0.00 0.00 0.00 56.01 52.07 1u38 n LEU 93 Cb 0.71 -1.12 0.46 0.00 -0.00 0.00 0.00 43.42 43.48 1u38 n LEU 93 CO 0.52 1.56 0.73 1.17 -0.00 0.00 0.00 177.39 181.36 1u38 n LYS 94 N 0.24 0.60 -2.33 1.47 0.00 -1.23 -4.09 118.16 112.81 1u38 n LYS 94 Ca 0.47 -0.29 -0.30 0.00 0.00 0.00 0.00 58.31 58.19 1u38 n LYS 94 Cb 0.52 -1.49 0.01 0.00 0.00 0.00 0.00 35.03 34.07 1u38 n LYS 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1u38 n ASN 95 N -0.95 5.45 -4.30 3.14 3.02 -1.26 -2.63 115.26 117.73 1u38 n ASN 95 Ca 0.12 -3.75 -0.16 0.00 -0.03 0.00 0.00 54.58 50.75 1u38 n ASN 95 Cb 0.32 -0.62 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 1u38 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u38 s GLN 96 N -3.68 1.22 0.02 3.52 0.00 -1.26 -4.93 119.66 114.55 1u38 s GLN 96 Ca 0.49 -1.56 0.23 0.00 -0.00 0.00 0.00 55.36 54.53 1u38 s GLN 96 Cb 0.41 -0.79 0.19 0.00 0.00 0.00 0.00 33.01 32.82 1u38 s GLN 96 CO -0.25 0.07 1.18 0.45 0.00 0.00 0.00 175.29 176.74 1u38 n SER 97 N -0.32 0.66 -3.84 12.60 2.88 -1.26 -3.92 113.62 120.42 1u38 n SER 97 Ca -0.08 -0.40 -0.12 0.00 -1.33 0.00 0.00 58.87 56.93 1u38 n SER 97 Cb 0.61 0.58 -0.14 0.00 -0.75 0.00 0.00 64.21 64.52 1u38 n SER 97 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1u38 s ARG 98 N -3.06 0.05 -0.37 -1.46 1.81 -1.26 -1.47 118.95 113.18 1u38 s ARG 98 Ca 0.08 0.08 -0.03 0.00 -1.72 0.00 0.00 55.73 54.14 1u38 s ARG 98 Cb 0.16 -0.00 0.09 0.00 -0.45 0.00 0.00 34.95 34.74 1u38 s ARG 98 CO 0.77 -0.02 0.14 0.08 -0.68 0.00 0.00 175.30 175.59 1u38 s VAL 99 N 0.15 3.28 -0.28 3.52 1.01 -0.56 -4.93 120.40 122.59 1u38 s VAL 99 Ca -0.01 -1.77 -0.20 0.00 0.00 0.00 0.00 61.98 60.00 1u38 s VAL 99 Cb -0.02 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1u38 s VAL 99 CO -0.00 -0.48 0.59 -0.75 0.00 0.00 0.00 175.10 174.46 1u38 s LYS 100 N 1.20 3.98 -0.08 2.72 2.20 -1.25 -1.49 119.74 127.02 1u38 s LYS 100 Ca 0.04 0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 55.96 1u38 s LYS 100 Cb -0.22 -3.69 0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1u38 s LYS 100 CO -0.03 -0.48 0.06 -0.51 -0.36 0.00 0.00 175.35 174.03 1u38 s LEU 101 N 2.50 0.30 -0.81 5.43 1.43 0.12 0.22 118.68 127.87 1u38 s LEU 101 Ca 0.24 -0.13 -0.22 0.00 -1.03 0.00 0.00 54.13 52.99 1u38 s LEU 101 Cb -0.15 -0.23 0.08 0.00 0.03 0.00 0.00 46.19 45.92 1u38 s LEU 101 CO 0.10 -0.26 1.12 0.20 0.23 0.00 0.00 176.35 177.73 1u38 s ASN 102 N 2.12 6.37 0.43 2.29 0.02 0.14 0.98 114.94 127.29 1u38 s ASN 102 Ca 0.04 -1.36 0.06 0.00 -1.02 0.00 0.00 52.86 50.59 1u38 s ASN 102 Cb -0.13 -2.45 -0.06 0.00 0.02 0.00 0.00 41.25 38.63 1u38 s ASN 102 CO -0.05 -1.36 0.08 0.27 0.02 0.00 0.00 177.10 176.06 1u38 s ILE 103 N 3.89 1.97 -0.09 0.60 -4.36 -0.92 0.19 121.20 122.48 1u38 s ILE 103 Ca 0.30 -1.88 0.03 0.00 -0.26 0.00 0.00 60.65 58.84 1u38 s ILE 103 Cb -0.10 -2.85 0.01 0.00 1.25 0.00 0.00 42.46 40.77 1u38 s ILE 103 CO 0.01 0.00 -0.17 -0.69 0.24 0.00 0.00 174.94 174.33 1u38 s VAL 104 N -2.70 1.57 -2.00 8.37 1.01 0.12 0.61 120.40 127.38 1u38 s VAL 104 Ca 0.33 -0.71 0.27 0.00 0.00 0.00 0.00 61.98 61.87 1u38 s VAL 104 Cb 0.06 -1.40 0.76 0.00 0.00 0.00 0.00 36.38 35.80 1u38 s VAL 104 CO 0.18 0.45 1.95 0.54 0.00 0.00 0.00 175.10 178.22