#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 1.33 -3.57 4.31 3.72 -1.26 -0.17 117.46 121.82 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 -2.16 -0.05 0.00 -0.94 0.00 0.00 39.48 36.33 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 -3.64 0.43 -0.54 -1.08 -2.85 0.35 -4.80 119.74 107.60 1u38 s LYS 19 Ca 0.77 0.87 -0.27 0.00 -1.00 0.00 0.00 55.97 56.34 1u38 s LYS 19 Cb -0.34 0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 35.74 1u38 s LYS 19 CO 0.47 -0.11 1.72 0.16 0.10 0.00 0.00 175.35 177.69 1u38 s ASP 20 N 1.96 5.64 -0.48 0.03 -4.77 -1.26 -2.16 116.67 115.62 1u38 s ASP 20 Ca -0.07 0.51 -0.24 0.00 -3.30 0.00 0.00 52.55 49.46 1u38 s ASP 20 Cb -0.06 -2.53 0.03 0.00 -1.09 0.00 0.00 42.92 39.27 1u38 s ASP 20 CO -0.17 -2.06 0.86 -0.69 0.70 0.00 0.00 175.17 173.81 1u38 s VAL 21 N 7.78 4.54 -0.39 2.11 1.01 0.36 -4.88 120.40 130.93 1u38 s VAL 21 Ca 0.65 0.45 -0.16 0.00 0.00 0.00 0.00 61.98 62.92 1u38 s VAL 21 Cb -0.14 -4.41 0.01 0.00 0.00 0.00 0.00 36.38 31.84 1u38 s VAL 21 CO 0.24 -0.86 0.41 0.12 0.00 0.00 0.00 175.10 175.02 1u38 s PHE 22 N 3.57 3.19 -0.41 5.22 2.19 -1.26 -0.39 117.98 130.08 1u38 s PHE 22 Ca 0.32 -0.23 -0.06 0.00 0.33 0.00 0.00 56.93 57.29 1u38 s PHE 22 Cb -0.12 -2.81 0.10 0.00 -1.31 0.00 0.00 43.02 38.88 1u38 s PHE 22 CO 0.22 -0.59 0.22 0.42 1.83 0.00 0.00 175.22 177.32 1u38 s ILE 23 N 2.09 3.70 -0.35 3.12 -1.09 -0.08 -4.94 121.20 123.64 1u38 s ILE 23 Ca 0.12 -1.73 -0.23 0.00 -2.23 0.00 0.00 60.65 56.57 1u38 s ILE 23 Cb -0.17 -3.39 0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1u38 s ILE 23 CO 0.13 -0.58 0.78 -1.61 -1.23 0.00 0.00 174.94 172.43 1u38 s GLU 24 N 1.28 3.80 0.05 2.79 2.02 -1.26 -1.14 118.70 126.23 1u38 s GLU 24 Ca 0.05 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.41 1u38 s GLU 24 Cb -0.23 -3.79 -0.00 0.00 0.10 0.00 0.00 34.13 30.21 1u38 s GLU 24 CO -0.01 -0.81 0.06 0.36 0.02 0.00 0.00 175.26 174.88 1u38 n LYS 25 N 6.37 0.09 -4.17 1.61 -0.00 0.57 -4.95 118.16 117.68 1u38 n LYS 25 Ca 0.03 -0.48 -0.30 0.00 -0.00 0.00 0.00 58.31 57.56 1u38 n LYS 25 Cb 0.48 0.43 -0.08 0.00 -0.00 0.00 0.00 35.03 35.86 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 -2.16 2.47 0.58 -1.58 1.11 -1.26 -4.15 119.66 114.66 1u38 s GLN 26 Ca 0.05 -0.86 -0.19 0.00 0.01 0.00 0.00 55.36 54.36 1u38 s GLN 26 Cb 0.00 -2.49 -0.05 0.00 -1.01 0.00 0.00 33.01 29.45 1u38 s GLN 26 CO 0.04 0.54 1.02 1.63 0.01 0.00 0.00 175.29 178.52 1u38 n LYS 27 N 0.66 1.04 -1.02 2.91 5.02 -1.26 -2.37 118.16 123.14 1u38 n LYS 27 Ca -0.12 0.40 -0.01 0.00 -2.02 0.00 0.00 58.31 56.56 1u38 n LYS 27 Cb 0.52 -2.20 -0.00 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 1.21 0.48 1.13 0.72 0.00 -1.11 -4.89 105.19 102.74 1u38 n GLY 28 Ca 0.13 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.81 1.18 0.00 1.61 1.02 -1.00 -5.02 120.64 115.63 1u38 n GLU 29 Ca -0.01 -2.92 0.00 0.00 -0.02 0.00 0.00 57.16 54.21 1u38 n GLU 29 Cb 0.04 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.49 0.00 0.00 -3.67 -5.35 -1.26 -4.47 119.36 104.12 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 0.88 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 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 -0.77 7.28 7.94 -1.26 -4.86 117.00 125.33 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 0.41 3.27 -3.96 0.00 -1.26 -3.22 105.19 100.42 1u38 n GLY 32 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.51 0.08 -0.13 1.61 -7.23 -1.26 -0.15 120.40 110.81 1u38 s VAL 33 Ca 0.00 -0.67 0.01 0.00 -1.81 0.00 0.00 61.98 59.51 1u38 s VAL 33 Cb 0.00 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.93 1u38 s VAL 33 CO 0.00 -0.37 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.55 1u38 s VAL 34 N -2.82 2.59 0.11 1.32 1.01 0.26 -4.90 120.40 117.98 1u38 s VAL 34 Ca -0.03 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.22 1u38 s VAL 34 Cb 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1u38 s VAL 34 CO -0.05 0.53 -0.17 0.27 0.00 0.00 0.00 175.10 175.68 1u38 s ILE 35 N 0.47 2.88 0.17 2.22 -4.36 -1.26 0.09 121.20 121.42 1u38 s ILE 35 Ca -0.12 -1.48 -0.03 0.00 -0.26 0.00 0.00 60.65 58.76 1u38 s ILE 35 Cb -0.16 -2.32 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 1u38 s ILE 35 CO 0.05 0.11 0.14 0.68 0.24 0.00 0.00 174.94 176.16 1u38 s VAL 36 N -1.14 0.05 0.20 8.37 -7.23 -0.17 -4.84 120.40 115.63 1u38 s VAL 36 Ca 0.18 -1.86 -0.32 0.00 -1.81 0.00 0.00 61.98 58.17 1u38 s VAL 36 Cb -0.11 -2.23 -0.12 0.00 0.56 0.00 0.00 36.38 34.48 1u38 s VAL 36 CO 0.10 -0.21 1.73 -0.62 -0.31 0.00 0.00 175.10 175.79 1u38 n GLU 37 N -0.20 2.77 -2.11 4.82 1.02 -1.26 0.70 120.64 126.37 1u38 n GLU 37 Ca -0.02 1.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.83 1u38 n GLU 37 Cb 0.64 -2.85 -0.05 0.00 -0.02 0.00 0.00 31.44 29.16 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 1.27 5.24 0.00 1.62 1.04 -0.43 -4.69 113.70 117.74 1u38 s SER 38 Ca 0.76 -1.36 0.30 0.00 0.48 0.00 0.00 55.95 56.12 1u38 s SER 38 Cb -0.51 -2.58 1.39 0.00 0.10 0.00 0.00 66.02 64.42 1u38 s SER 38 CO 0.33 -2.79 1.96 0.61 0.98 0.00 0.00 173.24 174.33 1u38 n GLY 39 N 6.19 -1.04 0.00 7.32 0.00 -1.26 -4.60 105.19 111.80 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 -1.04 -1.04 0.03 1.61 4.27 -1.26 -4.66 117.44 115.35 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 0.25 0.00 0.68 0.00 -1.36 0.00 0.00 31.31 30.88 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 -0.29 0.00 -1.37 -1.67 0.00 -2.02 -3.44 103.07 94.28 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 -1.14 0.00 0.00 0.00 176.54 175.40 1u38 n SER 42 N -3.57 -1.96 -0.24 0.19 3.41 -1.26 -4.96 113.62 105.24 1u38 n SER 42 Ca 0.11 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.75 1u38 n SER 42 Cb 0.82 -0.49 0.26 0.00 -0.26 0.00 0.00 64.21 64.55 1u38 n SER 42 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1u38 h ILE 43 N 0.00 1.12 -2.09 -1.33 2.04 -1.94 -3.38 117.51 111.93 1u38 h ILE 43 Ca 0.00 -0.34 -0.26 0.00 1.00 0.00 0.00 64.86 65.26 1u38 h ILE 43 Cb 0.98 0.05 -0.32 0.00 -0.74 0.00 0.00 36.82 36.79 1u38 h ILE 43 CO 0.00 0.18 -0.58 -0.76 0.00 0.00 0.00 178.15 176.99 1u38 s LEU 44 N -9.88 -0.40 -0.77 1.44 1.02 -1.26 -5.09 118.68 103.74 1u38 s LEU 44 Ca -0.11 -0.33 -0.24 0.00 0.02 0.00 0.00 54.13 53.47 1u38 s LEU 44 Cb 0.19 0.73 -0.17 0.00 0.02 0.00 0.00 46.19 46.96 1u38 s LEU 44 CO 0.79 -0.35 2.42 -2.65 0.02 0.00 0.00 176.35 176.58 1u38 n PRO 45 N 5.33 0.51 0.00 1.29 -0.02 -1.26 -4.78 135.00 136.07 1u38 n PRO 45 Ca -0.03 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1u38 n PRO 45 Cb 0.48 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 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 7.72 0.00 -4.00 3.45 -2.24 -1.26 0.17 114.28 118.12 1u38 n THR 46 Ca 0.51 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 62.07 1u38 n THR 46 Cb 0.34 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.25 3.31 -0.08 2.28 -7.23 -1.24 -1.32 120.40 115.87 1u38 s VAL 47 Ca 0.00 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 1u38 s VAL 47 Cb 0.00 -3.07 0.01 0.00 0.56 0.00 0.00 36.38 33.88 1u38 s VAL 47 CO 0.00 -0.20 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.80 1u38 s ILE 48 N -2.36 1.47 -0.77 -0.62 1.01 0.22 -2.47 121.20 117.68 1u38 s ILE 48 Ca 0.38 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 60.11 1u38 s ILE 48 Cb -0.04 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1u38 s ILE 48 CO 0.24 0.43 2.03 -0.63 0.00 0.00 0.00 174.94 177.01 1u38 s ILE 49 N 0.61 3.32 -1.62 2.92 1.01 -0.86 -1.00 121.20 125.59 1u38 s ILE 49 Ca -0.15 -0.13 0.25 0.00 0.00 0.00 0.00 60.65 60.63 1u38 s ILE 49 Cb -0.16 -3.76 0.15 0.00 0.01 0.00 0.00 42.46 38.69 1u38 s ILE 49 CO 0.05 -0.73 1.43 0.00 0.00 0.00 0.00 174.94 175.69 1u38 n ALA 50 N 14.48 3.33 -3.56 9.38 0.00 0.11 -1.03 120.51 143.22 1u38 n ALA 50 Ca 0.35 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1u38 n ALA 50 Cb 0.48 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.62 -0.35 -0.09 0.00 0.01 -1.08 -4.95 114.94 105.85 1u38 s ASN 51 Ca 0.20 -0.11 -0.15 0.00 -0.71 0.00 0.00 52.86 52.09 1u38 s ASN 51 Cb 0.19 0.46 0.03 0.00 0.41 0.00 0.00 41.25 42.34 1u38 s ASN 51 CO 0.58 -0.77 0.38 -0.32 -1.51 0.00 0.00 177.10 175.46 1u38 s MET 52 N -3.29 0.56 0.55 -0.60 1.75 -1.26 0.89 119.30 117.90 1u38 s MET 52 Ca 0.06 0.26 0.24 0.00 -1.25 0.00 0.00 55.69 55.00 1u38 s MET 52 Cb -0.01 0.26 1.45 0.00 2.84 0.00 0.00 34.83 39.37 1u38 s MET 52 CO -0.07 -0.11 2.08 0.52 -0.65 0.00 0.00 175.02 176.79 1u38 h MET 53 N 4.80 0.00 -5.26 4.11 2.86 -0.87 -3.47 114.93 117.10 1u38 h MET 53 Ca -0.28 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.15 1u38 h MET 53 Cb 1.18 0.00 0.17 0.00 0.06 0.00 0.00 31.60 33.00 1u38 h MET 53 CO 0.32 0.00 -0.72 1.58 1.06 0.00 0.00 176.91 179.15 1u38 n HIS 54 N -4.24 -2.34 0.00 -0.22 -0.00 -1.26 -4.76 115.22 102.40 1u38 n HIS 54 Ca 0.03 0.82 0.00 0.00 -0.00 0.00 0.00 57.72 58.57 1u38 n HIS 54 Cb 0.35 -4.00 0.00 0.00 -0.00 0.00 0.00 29.99 26.33 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 -1.30 0.43 0.00 1.57 0.00 -1.26 -5.03 105.19 99.60 1u38 n GLY 55 Ca -0.06 -0.02 0.00 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 -2.12 0.20 -0.02 0.00 -1.26 -4.71 105.19 97.28 1u38 n GLY 56 Ca 0.00 -1.46 0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.11 1.61 0.13 -1.86 -2.49 132.00 129.27 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 -0.01 0.00 -0.23 0.00 0.00 178.00 177.76 1u38 h ALA 58 N 2.14 0.15 0.03 -0.56 0.00 -1.87 -1.75 119.26 117.41 1u38 h ALA 58 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 1u38 h ALA 58 Cb 0.39 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1u38 h ALA 58 CO 0.00 -0.14 -1.00 1.49 0.00 0.00 0.00 179.25 179.61 1u38 h GLU 59 N -0.08 0.28 -0.29 0.00 4.57 -1.82 -3.16 114.58 114.08 1u38 h GLU 59 Ca 0.03 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1u38 h GLU 59 Cb 0.39 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1u38 h GLU 59 CO 0.01 1.07 0.18 0.87 -1.18 0.00 0.00 179.01 179.96 1u38 h LYS 60 N 0.14 0.36 0.20 1.92 1.57 -1.43 -2.99 116.57 116.34 1u38 h LYS 60 Ca -0.08 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1u38 h LYS 60 Cb 1.66 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.89 1u38 h LYS 60 CO 0.16 0.24 -0.11 0.77 -0.57 0.00 0.00 179.45 179.94 1u38 h SER 61 N 0.37 -0.27 0.00 0.86 0.02 -1.39 -3.47 113.55 109.68 1u38 h SER 61 Ca 0.11 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1u38 h SER 61 Cb -0.02 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1u38 h SER 61 CO -0.04 -0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.08 1u38 n GLY 62 N -1.22 2.10 0.15 -3.77 0.00 -1.13 -4.88 105.19 96.45 1u38 n GLY 62 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 2.82 0.13 -4.40 1.61 1.79 -1.89 -3.39 116.57 113.24 1u38 h LYS 63 Ca 0.00 -0.09 -0.73 0.00 -2.18 0.00 0.00 60.65 57.65 1u38 h LYS 63 Cb 0.00 0.01 -0.22 0.00 -1.58 0.00 0.00 32.23 30.45 1u38 h LYS 63 CO 0.00 0.70 -0.04 -0.51 -1.08 0.00 0.00 179.45 178.52 1u38 s LEU 64 N -7.79 5.78 0.05 2.94 1.43 -1.26 -5.03 118.68 114.80 1u38 s LEU 64 Ca -0.03 -1.61 0.09 0.00 -1.03 0.00 0.00 54.13 51.55 1u38 s LEU 64 Cb 0.12 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1u38 s LEU 64 CO 0.78 -0.99 -0.26 0.54 0.23 0.00 0.00 176.35 176.65 1u38 s ASN 65 N 3.61 3.25 0.34 2.29 2.20 -1.26 -4.70 114.94 120.67 1u38 s ASN 65 Ca 0.08 -0.59 -0.25 0.00 -0.94 0.00 0.00 52.86 51.16 1u38 s ASN 65 Cb -0.27 -0.32 -0.14 0.00 -2.00 0.00 0.00 41.25 38.53 1u38 s ASN 65 CO 0.05 0.25 0.74 -0.38 -2.94 0.00 0.00 177.10 174.82 1u38 n ILE 66 N 1.68 1.95 -0.38 0.54 2.08 -1.26 -2.61 119.36 121.35 1u38 n ILE 66 Ca -0.17 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.64 1u38 n ILE 66 Cb 0.52 -0.67 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 1.57 0.80 3.93 7.39 0.00 -0.20 -4.98 105.19 113.69 1u38 n GLY 67 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.07 6.38 -0.31 1.61 1.11 -1.07 -4.89 116.67 117.43 1u38 s ASP 68 Ca 0.00 0.39 -0.05 0.00 0.18 0.00 0.00 52.55 53.07 1u38 s ASP 68 Cb 0.00 -2.00 0.03 0.00 1.07 0.00 0.00 42.92 42.02 1u38 s ASP 68 CO 0.00 -0.04 0.06 -1.10 1.18 0.00 0.00 175.17 175.27 1u38 s GLN 69 N -3.31 2.69 -0.39 8.23 -1.52 -0.98 -2.02 119.66 122.36 1u38 s GLN 69 Ca 0.38 -1.12 -0.24 0.00 -1.95 0.00 0.00 55.36 52.44 1u38 s GLN 69 Cb -0.11 -3.33 0.02 0.00 -0.22 0.00 0.00 33.01 29.37 1u38 s GLN 69 CO 0.29 -0.58 0.83 0.42 -0.25 0.00 0.00 175.29 176.00 1u38 s ILE 70 N 1.38 4.65 -0.05 1.08 1.01 -1.03 -0.49 121.20 127.76 1u38 s ILE 70 Ca -0.02 0.86 -0.03 0.00 0.00 0.00 0.00 60.65 61.47 1u38 s ILE 70 Cb -0.19 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 1u38 s ILE 70 CO 0.01 -0.55 0.16 0.24 0.00 0.00 0.00 174.94 174.80 1u38 h MET 71 N 8.64 -0.09 -4.61 2.79 2.86 -1.56 -3.28 114.93 119.67 1u38 h MET 71 Ca -0.24 0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.11 1u38 h MET 71 Cb 1.09 0.02 -0.22 0.00 0.06 0.00 0.00 31.60 32.54 1u38 h MET 71 CO 0.95 -0.06 -0.74 0.45 1.06 0.00 0.00 176.91 178.57 1u38 s SER 72 N -4.32 0.91 -0.23 1.22 0.15 -1.18 -2.47 113.70 107.78 1u38 s SER 72 Ca -0.01 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.16 1u38 s SER 72 Cb 0.00 0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.36 1u38 s SER 72 CO 0.04 -0.15 -0.13 -0.63 1.20 0.00 0.00 173.24 173.58 1u38 s ILE 73 N -1.18 2.29 -1.74 6.45 1.09 -0.84 -1.62 121.20 125.66 1u38 s ILE 73 Ca -0.07 -1.28 0.00 0.00 -1.10 0.00 0.00 60.65 58.20 1u38 s ILE 73 Cb -0.09 -2.19 0.00 0.00 -1.06 0.00 0.00 42.46 39.12 1u38 s ILE 73 CO 0.00 0.20 0.00 0.59 -0.10 0.00 0.00 174.94 175.64 1u38 n ASN 74 N 4.55 -5.76 0.00 3.58 3.02 0.19 -1.23 115.26 119.61 1u38 n ASN 74 Ca -0.17 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1u38 n ASN 74 Cb 0.46 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.84 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 3.43 3.55 7.41 0.00 -1.26 -5.00 105.19 112.32 1u38 n GLY 75 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.73 3.40 -0.10 2.61 2.01 -0.36 -4.94 115.64 115.53 1u38 s THR 76 Ca 0.00 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 1u38 s THR 76 Cb 0.00 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1u38 s THR 76 CO 0.00 -0.93 1.41 -0.44 -0.69 0.00 0.00 174.62 173.96 1u38 s SER 77 N 8.05 6.85 -0.11 3.53 0.01 -1.26 -1.99 113.70 128.77 1u38 s SER 77 Ca 0.68 1.94 0.16 0.00 1.31 0.00 0.00 55.95 60.04 1u38 s SER 77 Cb -0.10 -2.54 0.38 0.00 0.21 0.00 0.00 66.02 63.96 1u38 s SER 77 CO 0.12 -0.80 1.18 0.00 0.41 0.00 0.00 173.24 174.15 1u38 n LEU 78 N 6.52 1.83 -4.57 2.44 -0.00 -1.03 -4.99 117.00 117.20 1u38 n LEU 78 Ca 0.15 -2.89 -0.35 0.00 -0.00 0.00 0.00 56.01 52.91 1u38 n LEU 78 Cb 0.44 -0.28 -0.03 0.00 -0.00 0.00 0.00 43.42 43.54 1u38 n LEU 78 CO 0.58 0.91 1.56 -0.69 -0.00 0.00 0.00 177.39 179.75 1u38 s VAL 79 N -1.76 3.77 0.00 1.47 1.01 -1.23 -3.50 120.40 120.16 1u38 s VAL 79 Ca 0.33 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1u38 s VAL 79 Cb 0.34 -4.72 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1u38 s VAL 79 CO -0.09 -1.52 0.00 0.61 0.00 0.00 0.00 175.10 174.10 1u38 n GLY 80 N 6.36 3.86 3.32 4.51 0.00 0.46 -4.80 105.19 118.89 1u38 n GLY 80 Ca 0.41 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1u38 n GLY 80 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1u38 n LEU 81 N 0.00 -1.47 0.00 0.99 -0.00 -1.23 -4.92 117.00 110.37 1u38 n LEU 81 Ca 0.00 0.14 -0.27 0.00 -0.00 0.00 0.00 56.01 55.89 1u38 n LEU 81 Cb 0.00 -1.06 0.25 0.00 -0.00 0.00 0.00 43.42 42.61 1u38 n LEU 81 CO 0.00 -3.57 0.37 -0.81 -0.00 0.00 0.00 177.39 173.38 1u38 n PRO 82 N -1.40 -4.14 0.02 1.47 -0.04 -1.26 -4.85 135.00 124.79 1u38 n PRO 82 Ca 0.04 -1.36 -0.18 0.00 -0.04 0.00 0.00 63.50 61.96 1u38 n PRO 82 Cb 0.58 -1.62 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.44 -0.95 1.53 5.85 -1.93 -3.03 115.31 117.21 1u38 h LEU 83 Ca -0.35 -0.88 0.14 0.00 0.84 0.00 0.00 57.88 57.63 1u38 h LEU 83 Cb 1.16 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.96 1u38 h LEU 83 CO 0.22 1.28 0.56 0.77 -0.34 0.00 0.00 178.44 180.93 1u38 h SER 84 N -0.33 0.78 -0.05 1.25 4.64 -1.95 -0.52 113.55 117.37 1u38 h SER 84 Ca -0.10 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1u38 h SER 84 Cb 1.44 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1u38 h SER 84 CO 0.12 0.37 0.00 0.74 -0.87 0.00 0.00 176.83 177.20 1u38 h THR 85 N 0.84 1.24 0.27 2.95 2.02 -1.94 -2.56 112.91 115.74 1u38 h THR 85 Ca 0.50 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.93 1u38 h THR 85 Cb 0.60 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1u38 h THR 85 CO -0.31 0.20 -0.34 0.00 0.37 0.00 0.00 175.52 175.44 1u38 h GLN 87 N -0.67 0.23 -0.69 0.00 3.07 -1.18 0.72 115.11 116.59 1u38 h GLN 87 Ca -0.01 -0.01 0.09 0.00 0.09 0.00 0.00 58.65 58.81 1u38 h GLN 87 Cb 0.63 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 28.09 1u38 h GLN 87 CO -0.11 0.15 0.46 1.03 0.09 0.00 0.00 178.83 180.45 1u38 h SER 88 N 0.24 0.52 -0.29 0.06 0.87 -0.96 -0.51 113.55 113.48 1u38 h SER 88 Ca 0.40 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.98 1u38 h SER 88 Cb 0.68 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1u38 h SER 88 CO -0.52 0.32 0.18 0.40 -0.53 0.00 0.00 176.83 176.68 1u38 h ILE 89 N 0.58 1.05 0.03 2.23 1.08 0.17 -0.20 117.51 122.45 1u38 h ILE 89 Ca 0.32 -0.13 -0.00 0.00 -0.39 0.00 0.00 64.86 64.66 1u38 h ILE 89 Cb 0.47 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1u38 h ILE 89 CO -0.11 0.07 -0.02 0.40 -0.69 0.00 0.00 178.15 177.80 1u38 h ILE 90 N 0.36 1.31 0.00 -0.67 2.04 -0.75 -3.03 117.51 116.77 1u38 h ILE 90 Ca 0.11 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1u38 h ILE 90 Cb -0.02 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1u38 h ILE 90 CO -0.04 0.28 0.00 0.07 0.00 0.00 0.00 178.15 178.46 1u38 h LYS 91 N -0.54 0.00 0.00 2.37 2.10 -1.11 -1.20 116.57 118.20 1u38 h LYS 91 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1u38 h LYS 91 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1u38 h LYS 91 CO 0.01 0.00 0.00 0.78 -2.00 0.00 0.00 179.45 178.24 1u38 h GLY 92 N 0.69 0.00 -4.01 0.07 0.00 -0.90 -3.29 103.07 95.63 1u38 h GLY 92 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1u38 h GLY 92 CO 0.00 0.00 -0.55 1.47 0.00 0.00 0.00 176.54 177.46 1u38 n LEU 93 N -3.01 5.26 -0.11 3.11 -0.00 -0.45 -4.69 117.00 117.12 1u38 n LEU 93 Ca 0.04 -4.82 0.13 0.00 -0.00 0.00 0.00 56.01 51.35 1u38 n LEU 93 Cb 0.49 -0.46 0.40 0.00 -0.00 0.00 0.00 43.42 43.85 1u38 n LEU 93 CO 0.33 2.06 0.66 2.29 -0.00 0.00 0.00 177.39 182.72 1u38 n LYS 94 N -0.67 0.43 -1.05 1.47 -0.00 -1.23 -4.01 118.16 113.10 1u38 n LYS 94 Ca 0.45 -0.22 -0.23 0.00 -0.00 0.00 0.00 58.31 58.31 1u38 n LYS 94 Cb 0.83 -1.50 0.10 0.00 -0.00 0.00 0.00 35.03 34.47 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 -1.10 5.40 -4.13 -5.58 4.13 -1.26 -2.74 115.26 109.98 1u38 n ASN 95 Ca 0.10 -3.37 -0.26 0.00 1.68 0.00 0.00 54.58 52.73 1u38 n ASN 95 Cb 0.33 -0.89 -0.16 0.00 -1.54 0.00 0.00 39.78 37.52 1u38 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u38 s GLN 96 N -2.78 1.81 0.00 3.52 -2.07 -1.26 -4.88 119.66 114.00 1u38 s GLN 96 Ca 0.48 -0.60 0.15 0.00 -1.82 0.00 0.00 55.36 53.57 1u38 s GLN 96 Cb 0.39 -1.55 0.67 0.00 -1.09 0.00 0.00 33.01 31.43 1u38 s GLN 96 CO 0.04 0.22 1.46 -1.13 -1.32 0.00 0.00 175.29 174.56 1u38 n SER 97 N 3.22 0.00 -3.86 12.60 3.41 -1.26 -4.42 113.62 123.31 1u38 n SER 97 Ca -0.18 0.37 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 1u38 n SER 97 Cb 0.53 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.87 0.51 -0.09 4.33 3.52 -1.26 -0.32 118.95 122.77 1u38 s ARG 98 Ca 0.09 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.29 1u38 s ARG 98 Cb 0.10 0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 1u38 s ARG 98 CO 0.26 -0.13 0.01 0.08 -0.81 0.00 0.00 175.30 174.71 1u38 s VAL 99 N -1.41 0.37 -0.63 7.11 1.01 -0.30 -4.96 120.40 121.59 1u38 s VAL 99 Ca -0.14 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1u38 s VAL 99 Cb -0.07 -0.60 0.14 0.00 0.00 0.00 0.00 36.38 35.85 1u38 s VAL 99 CO 0.02 0.17 0.64 -0.54 0.00 0.00 0.00 175.10 175.39 1u38 s LYS 100 N 1.97 3.14 0.13 2.72 1.02 -1.26 -0.91 119.74 126.55 1u38 s LYS 100 Ca 0.04 -1.71 0.03 0.00 0.02 0.00 0.00 55.97 54.35 1u38 s LYS 100 Cb -0.13 -4.34 -0.04 0.00 -0.52 0.00 0.00 37.83 32.80 1u38 s LYS 100 CO -0.06 -1.42 0.21 -0.51 -0.92 0.00 0.00 175.35 172.65 1u38 s LEU 101 N 1.77 4.14 -0.40 3.17 1.43 0.47 -0.64 118.68 128.63 1u38 s LEU 101 Ca 0.10 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1u38 s LEU 101 Cb -0.23 -2.74 0.12 0.00 0.03 0.00 0.00 46.19 43.36 1u38 s LEU 101 CO 0.01 0.09 0.17 0.20 0.23 0.00 0.00 176.35 177.06 1u38 s ASN 102 N -2.97 4.07 0.43 2.29 0.02 -0.64 0.13 114.94 118.28 1u38 s ASN 102 Ca 0.33 -2.34 0.05 0.00 -1.02 0.00 0.00 52.86 49.88 1u38 s ASN 102 Cb -0.11 -1.20 -0.06 0.00 0.02 0.00 0.00 41.25 39.89 1u38 s ASN 102 CO 0.26 -0.32 0.01 0.27 0.02 0.00 0.00 177.10 177.34 1u38 s ILE 103 N 0.68 1.76 -0.22 0.60 -4.36 -0.92 -1.37 121.20 117.37 1u38 s ILE 103 Ca 0.14 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.52 1u38 s ILE 103 Cb -0.22 -2.79 0.02 0.00 1.25 0.00 0.00 42.46 40.71 1u38 s ILE 103 CO -0.08 0.00 -0.11 -0.69 0.24 0.00 0.00 174.94 174.30 1u38 s VAL 104 N -2.78 2.65 -2.00 8.37 1.01 0.36 0.13 120.40 128.14 1u38 s VAL 104 Ca 0.28 -0.90 0.22 0.00 0.00 0.00 0.00 61.98 61.58 1u38 s VAL 104 Cb 0.08 -2.25 0.62 0.00 0.00 0.00 0.00 36.38 34.83 1u38 s VAL 104 CO 0.14 0.37 1.68 -1.14 0.00 0.00 0.00 175.10 176.15