#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 2.64 -0.29 4.31 0.08 -1.26 0.53 117.98 124.00 1u38 s PHE 18 Ca 0.00 1.54 -0.15 0.00 0.12 0.00 0.00 56.93 58.44 1u38 s PHE 18 Cb 0.00 -3.28 0.11 0.00 -0.57 0.00 0.00 43.02 39.28 1u38 s PHE 18 CO 0.00 -1.64 0.78 -1.59 -0.10 0.00 0.00 175.22 172.67 1u38 s LYS 19 N -3.44 0.57 -0.60 0.44 0.00 0.34 -4.82 119.74 112.23 1u38 s LYS 19 Ca 0.72 1.07 -0.28 0.00 0.00 0.00 0.00 55.97 57.48 1u38 s LYS 19 Cb -0.24 0.25 0.02 0.00 0.00 0.00 0.00 37.83 37.87 1u38 s LYS 19 CO 0.30 -0.13 1.29 0.16 0.00 0.00 0.00 175.35 176.97 1u38 s ASP 20 N 1.79 6.27 0.23 0.03 -4.77 -1.26 -1.70 116.67 117.26 1u38 s ASP 20 Ca -0.09 0.08 -0.25 0.00 -3.30 0.00 0.00 52.55 48.99 1u38 s ASP 20 Cb -0.06 -2.55 -0.09 0.00 -1.09 0.00 0.00 42.92 39.13 1u38 s ASP 20 CO -0.18 -1.63 0.83 -0.69 0.70 0.00 0.00 175.17 174.20 1u38 s VAL 21 N 5.52 4.32 -0.26 2.11 1.01 0.45 -4.89 120.40 128.66 1u38 s VAL 21 Ca 0.45 1.71 -0.01 0.00 0.00 0.00 0.00 61.98 64.13 1u38 s VAL 21 Cb -0.09 -4.08 0.08 0.00 0.00 0.00 0.00 36.38 32.29 1u38 s VAL 21 CO 0.23 0.36 0.06 0.12 0.00 0.00 0.00 175.10 175.87 1u38 s PHE 22 N -1.35 1.59 -0.48 5.22 5.36 -1.25 -0.14 117.98 126.93 1u38 s PHE 22 Ca 0.42 -1.47 -0.09 0.00 -0.96 0.00 0.00 56.93 54.82 1u38 s PHE 22 Cb -0.21 -1.49 0.12 0.00 -0.34 0.00 0.00 43.02 41.10 1u38 s PHE 22 CO 0.25 -0.78 0.36 0.42 -1.46 0.00 0.00 175.22 174.01 1u38 s ILE 23 N 1.66 4.25 -0.46 3.12 -1.09 -0.51 -4.91 121.20 123.26 1u38 s ILE 23 Ca 0.04 -1.81 -0.25 0.00 -2.23 0.00 0.00 60.65 56.40 1u38 s ILE 23 Cb -0.17 -3.80 0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1u38 s ILE 23 CO -0.18 -0.79 0.90 -1.61 -1.23 0.00 0.00 174.94 172.04 1u38 s GLU 24 N 1.32 3.50 0.00 2.79 8.01 -1.26 -0.86 118.70 132.20 1u38 s GLU 24 Ca 0.06 0.10 0.00 0.00 0.01 0.00 0.00 54.97 55.14 1u38 s GLU 24 Cb -0.26 -3.93 0.00 0.00 -4.31 0.00 0.00 34.13 25.63 1u38 s GLU 24 CO -0.01 -1.21 0.00 0.36 0.01 0.00 0.00 175.26 174.41 1u38 n LYS 25 N 7.10 0.20 -4.50 1.61 0.00 -0.53 -4.97 118.16 117.06 1u38 n LYS 25 Ca 0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.12 1u38 n LYS 25 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.41 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 -0.98 1.73 0.97 -1.58 1.11 -1.26 -4.20 119.66 115.45 1u38 s GLN 26 Ca 0.00 -1.86 -0.11 0.00 0.01 0.00 0.00 55.36 53.39 1u38 s GLN 26 Cb 0.00 -1.63 0.14 0.00 -1.01 0.00 0.00 33.01 30.52 1u38 s GLN 26 CO 0.00 0.17 0.93 1.63 0.01 0.00 0.00 175.29 178.03 1u38 n LYS 27 N -0.71 -0.76 -1.05 2.91 5.02 -1.25 -2.82 118.16 119.50 1u38 n LYS 27 Ca -0.05 -0.17 -0.02 0.00 -2.02 0.00 0.00 58.31 56.05 1u38 n LYS 27 Cb 0.63 -2.21 -0.01 0.00 -0.02 0.00 0.00 35.03 33.41 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 0.70 0.38 1.50 0.72 0.00 -1.12 -4.83 105.19 102.55 1u38 n GLY 28 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.01 1.93 0.00 1.61 1.02 -1.13 -5.02 120.64 118.04 1u38 n GLU 29 Ca -0.02 -3.36 0.00 0.00 -0.02 0.00 0.00 57.16 53.77 1u38 n GLU 29 Cb 0.30 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.63 0.00 0.00 -3.67 -5.35 -1.24 -4.37 119.36 104.10 1u38 n ILE 30 Ca 0.22 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.70 1u38 n ILE 30 Cb 0.87 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 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 -1.25 7.28 7.94 -1.26 -4.78 117.00 124.93 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 0.65 3.29 -3.96 0.00 -1.26 -2.28 105.19 101.63 1u38 n GLY 32 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.83 0.08 -0.10 1.61 -7.23 -1.26 -0.16 120.40 110.51 1u38 s VAL 33 Ca 0.00 -0.62 0.03 0.00 -1.81 0.00 0.00 61.98 59.58 1u38 s VAL 33 Cb 0.00 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.89 1u38 s VAL 33 CO 0.00 -0.34 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.55 1u38 s VAL 34 N -3.07 1.81 0.17 1.32 1.01 0.22 -4.90 120.40 116.96 1u38 s VAL 34 Ca -0.01 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.20 1u38 s VAL 34 Cb 0.01 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1u38 s VAL 34 CO -0.07 0.50 -0.20 0.27 0.00 0.00 0.00 175.10 175.61 1u38 s ILE 35 N 0.50 2.65 0.18 2.22 -4.36 -1.26 -0.54 121.20 120.59 1u38 s ILE 35 Ca -0.16 -1.79 -0.07 0.00 -0.26 0.00 0.00 60.65 58.36 1u38 s ILE 35 Cb -0.17 -2.26 -0.02 0.00 1.25 0.00 0.00 42.46 41.26 1u38 s ILE 35 CO 0.06 -0.04 0.27 0.68 0.24 0.00 0.00 174.94 176.14 1u38 s VAL 36 N -1.49 0.05 0.22 8.37 -7.23 -0.32 -4.85 120.40 115.15 1u38 s VAL 36 Ca 0.20 -1.54 -0.32 0.00 -1.81 0.00 0.00 61.98 58.52 1u38 s VAL 36 Cb -0.09 -2.01 -0.13 0.00 0.56 0.00 0.00 36.38 34.71 1u38 s VAL 36 CO 0.11 -0.23 1.60 -0.62 -0.31 0.00 0.00 175.10 175.65 1u38 n GLU 37 N -0.23 2.48 -2.21 4.82 1.02 -1.26 0.85 120.64 126.11 1u38 n GLU 37 Ca -0.05 0.89 -0.32 0.00 -0.02 0.00 0.00 57.16 57.66 1u38 n GLU 37 Cb 0.63 -2.67 -0.04 0.00 -0.02 0.00 0.00 31.44 29.34 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 0.79 5.55 0.00 1.62 1.04 -0.33 -4.64 113.70 117.73 1u38 s SER 38 Ca 0.72 -1.53 0.30 0.00 0.48 0.00 0.00 55.95 55.92 1u38 s SER 38 Cb -0.57 -2.58 1.45 0.00 0.10 0.00 0.00 66.02 64.42 1u38 s SER 38 CO 0.41 -2.48 2.00 0.61 0.98 0.00 0.00 173.24 174.76 1u38 n GLY 39 N 6.12 -1.12 0.00 7.32 0.00 -1.26 -4.59 105.19 111.67 1u38 n GLY 39 Ca 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.12 -1.04 0.03 1.61 4.27 -1.26 -4.65 117.44 115.27 1u38 n TRP 40 Ca 0.15 0.00 0.22 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 30.86 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 -0.31 0.00 -1.64 -1.67 0.00 -2.02 -3.44 103.07 93.99 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 -3.53 -1.82 -0.08 0.19 7.64 -1.26 -4.97 113.62 109.79 1u38 n SER 42 Ca 0.11 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.97 1u38 n SER 42 Cb 0.84 -0.46 0.24 0.00 -1.01 0.00 0.00 64.21 63.83 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 1.21 -2.11 0.44 2.04 -1.93 -3.40 117.51 113.76 1u38 h ILE 43 Ca 0.00 -0.76 -0.20 0.00 1.00 0.00 0.00 64.86 64.90 1u38 h ILE 43 Cb 0.91 0.74 -0.32 0.00 -0.74 0.00 0.00 36.82 37.42 1u38 h ILE 43 CO 0.00 0.28 -0.52 -0.76 0.00 0.00 0.00 178.15 177.15 1u38 s LEU 44 N -9.26 -0.47 -0.87 1.44 1.02 -1.26 -5.08 118.68 104.20 1u38 s LEU 44 Ca -0.09 0.11 -0.23 0.00 0.02 0.00 0.00 54.13 53.94 1u38 s LEU 44 Cb 0.16 0.89 -0.19 0.00 0.02 0.00 0.00 46.19 47.07 1u38 s LEU 44 CO 0.78 -0.31 2.12 -0.81 0.02 0.00 0.00 176.35 178.16 1u38 n PRO 45 N 5.35 0.25 0.00 1.29 -0.04 -1.26 -4.76 135.00 135.82 1u38 n PRO 45 Ca -0.04 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1u38 n PRO 45 Cb 0.50 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 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 8.28 0.00 -4.03 0.52 -2.24 -1.26 0.43 114.28 115.99 1u38 n THR 46 Ca 0.41 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.97 1u38 n THR 46 Cb 0.43 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.41 3.49 -0.09 2.28 -7.23 -1.23 -1.18 120.40 116.84 1u38 s VAL 47 Ca 0.00 -1.56 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1u38 s VAL 47 Cb 0.00 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.84 1u38 s VAL 47 CO 0.00 -0.23 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.72 1u38 s ILE 48 N -2.32 1.83 -0.89 -0.62 1.01 0.25 -2.50 121.20 117.95 1u38 s ILE 48 Ca 0.37 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.89 1u38 s ILE 48 Cb -0.05 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1u38 s ILE 48 CO 0.24 0.51 1.93 -0.63 0.00 0.00 0.00 174.94 176.99 1u38 s ILE 49 N 0.39 3.46 -0.70 2.92 1.01 -0.85 -1.18 121.20 126.24 1u38 s ILE 49 Ca -0.17 -0.36 0.25 0.00 0.00 0.00 0.00 60.65 60.38 1u38 s ILE 49 Cb -0.17 -4.03 0.14 0.00 0.01 0.00 0.00 42.46 38.41 1u38 s ILE 49 CO 0.07 -0.97 1.52 0.00 0.00 0.00 0.00 174.94 175.56 1u38 n ALA 50 N 13.81 2.69 -3.27 9.38 0.00 0.29 -1.95 120.51 141.46 1u38 n ALA 50 Ca 0.39 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 1u38 n ALA 50 Cb 0.47 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 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 -4.24 -0.45 -0.16 0.00 -0.87 -1.11 -4.97 114.94 103.13 1u38 s ASN 51 Ca 0.08 -0.09 -0.15 0.00 -1.57 0.00 0.00 52.86 51.13 1u38 s ASN 51 Cb 0.13 0.55 0.04 0.00 -0.02 0.00 0.00 41.25 41.96 1u38 s ASN 51 CO 0.67 -0.91 0.43 -0.32 -2.57 0.00 0.00 177.10 174.39 1u38 s MET 52 N -3.68 0.49 -0.79 -0.60 -2.45 -1.26 0.71 119.30 111.73 1u38 s MET 52 Ca 0.01 0.61 -0.26 0.00 -1.25 0.00 0.00 55.69 54.81 1u38 s MET 52 Cb 0.00 0.23 0.00 0.00 1.25 0.00 0.00 34.83 36.31 1u38 s MET 52 CO -0.12 -0.07 1.62 -1.64 1.05 0.00 0.00 175.02 175.86 1u38 s MET 53 N 0.31 2.98 -1.10 4.11 -1.94 0.78 -4.89 119.30 119.55 1u38 s MET 53 Ca -0.01 -0.17 -0.26 0.00 -1.71 0.00 0.00 55.69 53.55 1u38 s MET 53 Cb -0.03 -4.64 -0.20 0.00 2.01 0.00 0.00 34.83 31.96 1u38 s MET 53 CO -0.00 -2.57 2.07 0.72 -0.01 0.00 0.00 175.02 175.22 1u38 n HIS 54 N 11.18 1.35 0.00 -0.03 8.25 -1.26 -1.71 115.22 132.99 1u38 n HIS 54 Ca 0.21 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1u38 n HIS 54 Cb 0.50 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 29.02 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 6.03 0.42 0.00 -1.41 0.00 -1.26 -5.05 105.19 103.92 1u38 n GLY 55 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.70 0.18 -0.02 0.00 -0.69 -4.69 105.19 98.27 1u38 n GLY 56 Ca 0.00 -1.54 0.14 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.03 1.61 0.13 -1.84 -1.83 132.00 130.04 1u38 h PRO 57 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 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 -0.05 0.00 -0.23 0.00 0.00 178.00 177.72 1u38 h ALA 58 N 2.16 0.05 0.04 -0.56 0.00 -1.73 -2.29 119.26 116.92 1u38 h ALA 58 Ca 0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.38 1u38 h ALA 58 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1u38 h ALA 58 CO 0.00 -0.14 -1.02 1.49 0.00 0.00 0.00 179.25 179.58 1u38 h GLU 59 N -0.43 0.32 -0.31 0.00 4.22 -1.72 -3.10 114.58 113.56 1u38 h GLU 59 Ca 0.00 -0.40 0.02 0.00 0.08 0.00 0.00 59.36 59.06 1u38 h GLU 59 Cb 0.60 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1u38 h GLU 59 CO 0.01 1.11 0.17 0.87 -2.18 0.00 0.00 179.01 178.99 1u38 h LYS 60 N 0.16 0.35 0.48 1.92 1.57 -1.39 -3.23 116.57 116.43 1u38 h LYS 60 Ca -0.09 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1u38 h LYS 60 Cb 1.68 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.92 1u38 h LYS 60 CO 0.17 0.23 -0.23 1.03 -0.57 0.00 0.00 179.45 180.08 1u38 h SER 61 N 0.36 -0.55 0.00 0.86 0.87 -1.48 -3.48 113.55 110.13 1u38 h SER 61 Ca 0.13 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1u38 h SER 61 Cb 0.02 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1u38 h SER 61 CO -0.07 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 176.48 1u38 n GLY 62 N -0.96 2.10 0.32 5.77 0.00 -1.17 -4.90 105.19 106.33 1u38 n GLY 62 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 0.32 0.00 -5.14 1.61 1.57 -1.92 -3.39 116.57 109.62 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 0.00 -0.54 -0.51 -0.57 0.00 0.00 179.45 177.83 1u38 s LEU 64 N -7.87 3.94 -0.02 2.94 1.43 -1.26 -4.95 118.68 112.88 1u38 s LEU 64 Ca -0.05 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1u38 s LEU 64 Cb 0.16 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1u38 s LEU 64 CO 0.57 0.10 0.06 0.54 0.23 0.00 0.00 176.35 177.85 1u38 s ASN 65 N 0.86 -0.06 0.45 2.29 2.20 -1.26 -4.77 114.94 114.65 1u38 s ASN 65 Ca 0.06 0.11 -0.22 0.00 -0.94 0.00 0.00 52.86 51.87 1u38 s ASN 65 Cb -0.13 0.13 -0.11 0.00 -2.00 0.00 0.00 41.25 39.14 1u38 s ASN 65 CO 0.03 -0.03 0.68 -0.38 -2.94 0.00 0.00 177.10 174.45 1u38 n ILE 66 N 3.01 2.11 -0.38 0.54 2.08 -1.26 -3.02 119.36 122.43 1u38 n ILE 66 Ca -0.12 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.69 1u38 n ILE 66 Cb 0.59 -0.74 0.00 0.00 -0.75 0.00 0.00 39.64 38.74 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 1.61 0.80 3.80 7.39 0.00 -0.82 -5.02 105.19 112.95 1u38 n GLY 67 Ca 0.11 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.06 5.58 -0.29 1.61 1.11 -1.17 -4.89 116.67 116.56 1u38 s ASP 68 Ca 0.00 -0.05 -0.07 0.00 0.18 0.00 0.00 52.55 52.60 1u38 s ASP 68 Cb 0.00 -1.49 0.00 0.00 1.07 0.00 0.00 42.92 42.50 1u38 s ASP 68 CO 0.00 0.12 0.09 -1.10 1.18 0.00 0.00 175.17 175.46 1u38 s GLN 69 N -2.78 3.19 -0.15 8.23 -1.52 -0.94 -2.01 119.66 123.68 1u38 s GLN 69 Ca 0.30 -0.79 -0.23 0.00 -1.95 0.00 0.00 55.36 52.69 1u38 s GLN 69 Cb -0.11 -3.40 -0.02 0.00 -0.22 0.00 0.00 33.01 29.26 1u38 s GLN 69 CO 0.23 -0.41 0.74 0.42 -0.25 0.00 0.00 175.29 176.02 1u38 s ILE 70 N 1.53 4.96 -0.09 1.08 1.01 -1.04 -0.26 121.20 128.39 1u38 s ILE 70 Ca 0.03 1.45 -0.06 0.00 0.00 0.00 0.00 60.65 62.07 1u38 s ILE 70 Cb -0.17 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 1u38 s ILE 70 CO 0.03 0.11 -0.12 0.23 0.00 0.00 0.00 174.94 175.19 1u38 n MET 71 N 4.83 0.30 -3.96 2.79 2.81 -0.67 -3.57 117.12 119.67 1u38 n MET 71 Ca 0.01 0.44 -0.11 0.00 -1.81 0.00 0.00 57.70 56.24 1u38 n MET 71 Cb 0.50 -1.39 -0.12 0.00 -0.71 0.00 0.00 33.22 31.49 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 -5.01 0.22 -0.24 7.83 1.04 -1.24 0.13 113.70 116.43 1u38 s SER 72 Ca -0.10 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 1u38 s SER 72 Cb 0.01 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1u38 s SER 72 CO 0.15 -0.16 -0.08 -0.63 0.98 0.00 0.00 173.24 173.50 1u38 s ILE 73 N -0.84 2.83 -1.45 -1.02 1.01 -0.42 -1.72 121.20 119.59 1u38 s ILE 73 Ca -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1u38 s ILE 73 Cb -0.06 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1u38 s ILE 73 CO -0.00 0.26 0.00 0.59 0.00 0.00 0.00 174.94 175.79 1u38 n ASN 74 N 4.67 -4.65 0.00 3.58 3.02 0.97 -0.87 115.26 121.98 1u38 n ASN 74 Ca -0.17 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1u38 n ASN 74 Cb 0.48 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 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 -0.76 2.08 3.55 7.41 0.00 -1.26 -5.03 105.19 111.18 1u38 n GLY 75 Ca -0.18 0.00 -0.36 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 -2.22 3.22 0.04 2.61 2.01 -0.05 -4.92 115.64 116.32 1u38 s THR 76 Ca 0.00 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1u38 s THR 76 Cb 0.00 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 1u38 s THR 76 CO 0.00 -0.56 1.53 -0.44 -0.69 0.00 0.00 174.62 174.46 1u38 s SER 77 N 9.71 6.73 -0.03 3.53 0.01 -1.26 -1.30 113.70 131.09 1u38 s SER 77 Ca 0.79 2.30 0.16 0.00 1.31 0.00 0.00 55.95 60.52 1u38 s SER 77 Cb -0.14 -2.56 -0.25 0.00 0.21 0.00 0.00 66.02 63.28 1u38 s SER 77 CO 0.21 -0.80 0.33 0.18 0.41 0.00 0.00 173.24 173.58 1u38 n LEU 78 N 5.45 0.00 -4.54 2.44 4.77 0.34 -4.81 117.00 120.65 1u38 n LEU 78 Ca 0.14 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 1u38 n LEU 78 Cb 0.42 0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1u38 n LEU 78 CO 0.61 0.03 1.19 0.52 -1.33 0.00 0.00 177.39 178.40 1u38 n VAL 79 N -2.10 0.00 0.00 4.08 0.31 -1.07 -1.74 118.33 117.81 1u38 n VAL 79 Ca -0.04 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1u38 n VAL 79 Cb 0.46 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 6.37 4.11 3.84 2.92 0.00 0.17 -4.88 105.19 117.72 1u38 n GLY 80 Ca 0.44 -0.64 -0.31 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 3.19 0.00 0.99 2.34 -0.71 -5.03 118.68 119.46 1u38 s LEU 81 Ca 0.00 1.52 0.00 0.00 0.06 0.00 0.00 54.13 55.71 1u38 s LEU 81 Cb 0.00 -4.48 0.00 0.00 -0.56 0.00 0.00 46.19 41.15 1u38 s LEU 81 CO 0.00 -1.15 0.00 -0.81 -1.06 0.00 0.00 176.35 173.33 1u38 n PRO 82 N -2.91 -0.92 -0.06 1.48 -0.04 -1.26 -4.84 135.00 126.45 1u38 n PRO 82 Ca 0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 1u38 n PRO 82 Cb 0.54 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.01 1.53 6.46 -1.94 -3.08 115.31 117.28 1u38 h LEU 83 Ca 0.00 -0.91 0.16 0.00 -0.12 0.00 0.00 57.88 57.01 1u38 h LEU 83 Cb 0.00 -0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 39.83 1u38 h LEU 83 CO 0.00 0.92 0.62 -1.28 -0.62 0.00 0.00 178.44 178.08 1u38 h SER 84 N -0.90 0.85 -0.04 1.25 0.87 -1.97 0.14 113.55 113.75 1u38 h SER 84 Ca -0.00 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1u38 h SER 84 Cb 0.92 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1u38 h SER 84 CO 0.00 0.37 0.02 0.74 -0.53 0.00 0.00 176.83 177.43 1u38 h THR 85 N 0.87 1.13 -0.27 2.23 2.02 -1.93 -2.36 112.91 114.60 1u38 h THR 85 Ca 0.54 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 67.36 1u38 h THR 85 Cb 0.72 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1u38 h THR 85 CO -0.33 0.11 0.10 0.00 0.37 0.00 0.00 175.52 175.77 1u38 h GLN 87 N 0.22 0.40 -0.70 0.00 4.20 -0.92 0.36 115.11 118.67 1u38 h GLN 87 Ca 0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1u38 h GLN 87 Cb 0.08 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1u38 h GLN 87 CO -0.12 0.27 0.41 0.77 -0.67 0.00 0.00 178.83 179.48 1u38 h SER 88 N 0.42 0.85 -0.11 1.46 0.02 -0.81 -0.36 113.55 115.02 1u38 h SER 88 Ca 0.45 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.36 1u38 h SER 88 Cb 0.73 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1u38 h SER 88 CO -0.45 0.67 0.00 0.40 -1.14 0.00 0.00 176.83 176.31 1u38 h ILE 89 N 0.97 0.93 0.02 3.27 1.08 0.40 -1.22 117.51 122.96 1u38 h ILE 89 Ca 0.25 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.71 1u38 h ILE 89 Cb -0.01 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1u38 h ILE 89 CO -0.04 0.01 -0.01 0.40 -0.69 0.00 0.00 178.15 177.82 1u38 h ILE 90 N 0.04 1.48 -0.15 -0.67 2.04 -1.17 -3.19 117.51 115.89 1u38 h ILE 90 Ca 0.05 -1.59 0.04 0.00 1.00 0.00 0.00 64.86 64.36 1u38 h ILE 90 Cb 0.05 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1u38 h ILE 90 CO -0.08 0.40 0.22 0.07 0.00 0.00 0.00 178.15 178.77 1u38 h LYS 91 N -0.72 0.00 -0.52 2.37 5.09 -1.09 -0.43 116.57 121.28 1u38 h LYS 91 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.61 1u38 h LYS 91 Cb 0.68 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.99 1u38 h LYS 91 CO 0.00 0.00 -0.16 0.78 -2.09 0.00 0.00 179.45 177.99 1u38 h GLY 92 N 0.00 1.10 -4.51 0.07 0.00 -1.20 -3.12 103.07 95.41 1u38 h GLY 92 Ca 0.07 -0.93 -0.57 0.00 0.00 0.00 0.00 47.33 45.90 1u38 h GLY 92 CO -0.00 0.85 0.61 1.47 0.00 0.00 0.00 176.54 179.47 1u38 n LEU 93 N -4.14 6.85 0.00 3.11 -0.00 -0.17 -4.56 117.00 118.09 1u38 n LEU 93 Ca 0.01 -4.21 0.11 0.00 -0.00 0.00 0.00 56.01 51.91 1u38 n LEU 93 Cb 0.43 -1.15 0.52 0.00 -0.00 0.00 0.00 43.42 43.22 1u38 n LEU 93 CO 0.46 1.67 0.84 1.17 -0.00 0.00 0.00 177.39 181.53 1u38 n LYS 94 N 0.31 0.21 -1.22 1.47 0.00 -1.18 -3.03 118.16 114.72 1u38 n LYS 94 Ca 0.49 0.10 -0.07 0.00 0.00 0.00 0.00 58.31 58.83 1u38 n LYS 94 Cb 0.48 -1.50 0.13 0.00 0.00 0.00 0.00 35.03 34.13 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 -1.35 3.08 -4.91 3.14 3.02 -1.26 -2.78 115.26 114.20 1u38 n ASN 95 Ca 0.09 -3.82 -0.28 0.00 -0.03 0.00 0.00 54.58 50.54 1u38 n ASN 95 Cb 0.20 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 1u38 n ASN 95 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1u38 s GLN 96 N -3.38 3.60 0.00 3.52 -0.21 -1.17 -4.65 119.66 117.38 1u38 s GLN 96 Ca 0.43 -0.05 0.13 0.00 0.02 0.00 0.00 55.36 55.89 1u38 s GLN 96 Cb 0.39 -2.64 -0.13 0.00 1.00 0.00 0.00 33.01 31.63 1u38 s GLN 96 CO -0.02 0.18 0.55 0.45 -2.12 0.00 0.00 175.29 174.33 1u38 n SER 97 N -1.16 0.64 -3.44 5.90 2.88 -1.26 -3.93 113.62 113.26 1u38 n SER 97 Ca -0.02 -0.82 -0.05 0.00 -1.33 0.00 0.00 58.87 56.64 1u38 n SER 97 Cb 0.54 0.97 -0.07 0.00 -0.75 0.00 0.00 64.21 64.91 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 -2.17 0.41 -0.49 -1.46 6.06 -1.26 -1.46 118.95 118.60 1u38 s ARG 98 Ca 0.05 0.90 -0.16 0.00 -2.50 0.00 0.00 55.73 54.02 1u38 s ARG 98 Cb 0.10 0.15 0.08 0.00 0.06 0.00 0.00 34.95 35.34 1u38 s ARG 98 CO 0.51 -0.46 0.44 0.08 -2.50 0.00 0.00 175.30 173.37 1u38 s VAL 99 N 2.68 5.19 -0.68 7.11 1.01 -0.04 -4.91 120.40 130.75 1u38 s VAL 99 Ca 0.08 -1.06 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 1u38 s VAL 99 Cb -0.14 -4.18 0.11 0.00 0.00 0.00 0.00 36.38 32.17 1u38 s VAL 99 CO -0.16 -0.65 0.84 -0.75 0.00 0.00 0.00 175.10 174.38 1u38 s LYS 100 N 1.76 3.19 0.16 2.72 2.20 -1.26 -1.42 119.74 127.09 1u38 s LYS 100 Ca 0.05 -1.36 0.06 0.00 -0.36 0.00 0.00 55.97 54.36 1u38 s LYS 100 Cb -0.24 -4.38 -0.04 0.00 -1.51 0.00 0.00 37.83 31.66 1u38 s LYS 100 CO 0.07 -1.63 0.10 -0.51 -0.36 0.00 0.00 175.35 173.01 1u38 s LEU 101 N 2.84 3.68 -0.54 5.43 1.43 0.80 -0.02 118.68 132.30 1u38 s LEU 101 Ca 0.18 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1u38 s LEU 101 Cb -0.18 -2.30 0.14 0.00 0.03 0.00 0.00 46.19 43.88 1u38 s LEU 101 CO 0.03 0.08 0.32 0.20 0.23 0.00 0.00 176.35 177.21 1u38 s ASN 102 N -3.02 4.07 0.40 2.29 0.02 -0.70 0.17 114.94 118.17 1u38 s ASN 102 Ca 0.30 -3.12 0.08 0.00 -1.02 0.00 0.00 52.86 49.09 1u38 s ASN 102 Cb -0.10 -1.39 -0.04 0.00 0.02 0.00 0.00 41.25 39.74 1u38 s ASN 102 CO 0.22 -0.20 0.22 0.27 0.02 0.00 0.00 177.10 177.63 1u38 s ILE 103 N -0.38 2.52 -0.27 0.60 -4.36 -0.69 -1.66 121.20 116.96 1u38 s ILE 103 Ca 0.20 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1u38 s ILE 103 Cb -0.18 -3.00 0.05 0.00 1.25 0.00 0.00 42.46 40.59 1u38 s ILE 103 CO -0.05 -0.03 -0.08 -0.69 0.24 0.00 0.00 174.94 174.32 1u38 s VAL 104 N -2.54 2.46 -1.72 8.37 1.01 0.64 0.13 120.40 128.75 1u38 s VAL 104 Ca 0.42 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1u38 s VAL 104 Cb 0.01 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1u38 s VAL 104 CO 0.24 0.00 0.43 -1.14 0.00 0.00 0.00 175.10 174.63