#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 2.24 -0.29 4.31 0.08 -1.26 -0.78 117.98 122.27 1u38 s PHE 18 Ca 0.00 1.46 -0.16 0.00 0.12 0.00 0.00 56.93 58.35 1u38 s PHE 18 Cb 0.00 -3.68 0.15 0.00 -0.57 0.00 0.00 43.02 38.92 1u38 s PHE 18 CO 0.00 -2.73 0.96 -1.59 -0.10 0.00 0.00 175.22 171.77 1u38 s LYS 19 N -3.19 0.37 0.19 0.44 0.00 0.35 -4.86 119.74 113.04 1u38 s LYS 19 Ca 0.77 0.71 -0.30 0.00 0.00 0.00 0.00 55.97 57.15 1u38 s LYS 19 Cb -0.37 0.20 -0.09 0.00 0.00 0.00 0.00 37.83 37.58 1u38 s LYS 19 CO 0.41 -0.09 1.40 0.34 0.00 0.00 0.00 175.35 177.40 1u38 s ASP 20 N 1.71 6.77 -0.28 0.03 -1.08 -1.26 -1.97 116.67 120.60 1u38 s ASP 20 Ca -0.07 2.48 -0.00 0.00 -0.52 0.00 0.00 52.55 54.44 1u38 s ASP 20 Cb -0.05 -2.61 0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1u38 s ASP 20 CO -0.16 -0.64 -0.05 -0.69 0.52 0.00 0.00 175.17 174.15 1u38 s VAL 21 N 0.44 2.73 -0.33 1.11 1.01 0.37 -4.91 120.40 120.82 1u38 s VAL 21 Ca 0.61 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 1u38 s VAL 21 Cb -0.39 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1u38 s VAL 21 CO 0.37 -0.00 0.21 0.12 0.00 0.00 0.00 175.10 175.80 1u38 s PHE 22 N 1.23 3.21 -0.40 5.22 2.19 -1.25 -0.56 117.98 127.62 1u38 s PHE 22 Ca -0.05 -0.30 -0.01 0.00 0.33 0.00 0.00 56.93 56.90 1u38 s PHE 22 Cb -0.19 -2.43 0.11 0.00 -1.31 0.00 0.00 43.02 39.20 1u38 s PHE 22 CO -0.03 -0.38 0.18 0.42 1.83 0.00 0.00 175.22 177.24 1u38 s ILE 23 N 1.69 3.05 -0.12 3.12 -1.09 0.15 -4.93 121.20 123.07 1u38 s ILE 23 Ca 0.06 -2.19 -0.21 0.00 -2.23 0.00 0.00 60.65 56.07 1u38 s ILE 23 Cb -0.17 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 1u38 s ILE 23 CO 0.09 -0.68 0.62 -0.70 -1.23 0.00 0.00 174.94 173.04 1u38 s GLU 24 N 1.00 4.35 0.00 2.79 2.12 -1.26 -1.35 118.70 126.35 1u38 s GLU 24 Ca 0.09 0.68 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1u38 s GLU 24 Cb -0.22 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1u38 s GLU 24 CO -0.05 0.01 0.00 0.36 -0.54 0.00 0.00 175.26 175.04 1u38 n LYS 25 N 4.08 0.00 -4.29 4.30 0.00 -0.63 -4.94 118.16 116.68 1u38 n LYS 25 Ca -0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.03 1u38 n LYS 25 Cb 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 35.46 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 -1.05 2.13 0.83 -1.58 1.11 -1.26 -4.20 119.66 115.64 1u38 s GLN 26 Ca 0.00 -1.82 -0.12 0.00 0.01 0.00 0.00 55.36 53.43 1u38 s GLN 26 Cb 0.00 -1.92 0.10 0.00 -1.01 0.00 0.00 33.01 30.18 1u38 s GLN 26 CO 0.00 0.02 1.17 0.15 0.01 0.00 0.00 175.29 176.64 1u38 s LYS 27 N -3.79 1.56 -0.10 2.91 1.02 -1.26 -2.85 119.74 117.22 1u38 s LYS 27 Ca 0.37 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.97 1u38 s LYS 27 Cb 0.03 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.55 1u38 s LYS 27 CO 0.20 -2.24 0.00 0.41 -0.92 0.00 0.00 175.35 172.80 1u38 n GLY 28 N 0.17 0.38 1.13 -3.33 0.00 -1.24 -4.85 105.19 97.46 1u38 n GLY 28 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.54 1.77 0.00 1.61 -0.58 -1.13 -5.00 120.64 115.77 1u38 n GLU 29 Ca -0.01 -3.30 0.00 0.00 -0.42 0.00 0.00 57.16 53.43 1u38 n GLU 29 Cb 0.21 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 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 -0.77 0.00 0.00 -3.67 -5.35 -1.25 -4.41 119.36 103.90 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 0.82 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 -1.23 7.28 7.94 -1.26 -4.81 117.00 124.92 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 0.56 3.30 -3.96 0.00 -1.26 -2.18 105.19 101.65 1u38 n GLY 32 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.82 0.07 -0.19 1.61 -7.23 -1.26 0.16 120.40 110.74 1u38 s VAL 33 Ca 0.00 -0.56 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1u38 s VAL 33 Cb 0.00 -1.03 0.03 0.00 0.56 0.00 0.00 36.38 35.94 1u38 s VAL 33 CO 0.00 -0.31 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.64 1u38 s VAL 34 N -2.92 1.85 0.04 1.32 1.01 0.30 -4.89 120.40 117.11 1u38 s VAL 34 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1u38 s VAL 34 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1u38 s VAL 34 CO -0.06 0.35 0.05 0.27 0.00 0.00 0.00 175.10 175.71 1u38 s ILE 35 N 1.34 4.43 0.20 2.22 -4.36 -1.26 0.51 121.20 124.28 1u38 s ILE 35 Ca 0.02 -0.65 -0.01 0.00 -0.26 0.00 0.00 60.65 59.74 1u38 s ILE 35 Cb -0.15 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 40.46 1u38 s ILE 35 CO -0.10 0.25 0.14 0.68 0.24 0.00 0.00 174.94 176.14 1u38 s VAL 36 N -1.25 0.01 0.17 8.37 -7.23 -0.13 -4.84 120.40 115.49 1u38 s VAL 36 Ca 0.25 -1.97 -0.32 0.00 -1.81 0.00 0.00 61.98 58.13 1u38 s VAL 36 Cb -0.12 -2.46 -0.10 0.00 0.56 0.00 0.00 36.38 34.26 1u38 s VAL 36 CO 0.16 -0.03 1.62 -1.61 -0.31 0.00 0.00 175.10 174.94 1u38 s GLU 37 N -4.15 4.19 -1.11 4.82 2.02 -1.26 0.66 118.70 123.87 1u38 s GLU 37 Ca 0.38 2.43 -0.23 0.00 0.02 0.00 0.00 54.97 57.57 1u38 s GLU 37 Cb 0.07 -3.19 -0.06 0.00 0.10 0.00 0.00 34.13 31.05 1u38 s GLU 37 CO 0.11 -0.66 1.90 -1.54 0.02 0.00 0.00 175.26 175.09 1u38 s SER 38 N 1.33 5.28 0.00 -0.19 1.04 -0.52 -4.71 113.70 115.94 1u38 s SER 38 Ca 0.72 -1.46 0.29 0.00 0.48 0.00 0.00 55.95 55.99 1u38 s SER 38 Cb -0.45 -2.58 1.35 0.00 0.10 0.00 0.00 66.02 64.44 1u38 s SER 38 CO 0.32 -2.75 1.93 0.61 0.98 0.00 0.00 173.24 174.32 1u38 n GLY 39 N 6.11 -0.89 0.00 7.32 0.00 -1.26 -4.61 105.19 111.86 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 -0.88 -1.05 0.08 1.61 4.27 -1.26 -4.66 117.44 115.55 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 0.25 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 -0.27 0.00 -0.47 -1.67 0.00 -2.01 -3.44 103.07 95.21 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 -3.47 -1.34 -0.34 0.19 7.64 -1.26 -4.94 113.62 110.08 1u38 n SER 42 Ca 0.09 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.14 1u38 n SER 42 Cb 0.77 -0.44 0.40 0.00 -1.01 0.00 0.00 64.21 63.93 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 0.57 -2.29 0.44 2.04 -1.94 -3.36 117.51 112.96 1u38 h ILE 43 Ca 0.00 -0.20 -0.22 0.00 1.00 0.00 0.00 64.86 65.44 1u38 h ILE 43 Cb 0.87 -0.07 -0.32 0.00 -0.74 0.00 0.00 36.82 36.56 1u38 h ILE 43 CO 0.00 0.11 -0.54 -0.76 0.00 0.00 0.00 178.15 176.96 1u38 s LEU 44 N -10.21 -0.38 -0.53 1.44 1.02 -1.26 -5.10 118.68 103.66 1u38 s LEU 44 Ca -0.10 0.13 -0.26 0.00 0.02 0.00 0.00 54.13 53.91 1u38 s LEU 44 Cb 0.26 0.78 -0.08 0.00 0.02 0.00 0.00 46.19 47.18 1u38 s LEU 44 CO 0.80 -0.30 2.42 -2.65 0.02 0.00 0.00 176.35 176.64 1u38 n PRO 45 N 5.35 0.97 0.00 1.29 -0.02 -1.26 -4.81 135.00 136.52 1u38 n PRO 45 Ca -0.05 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1u38 n PRO 45 Cb 0.50 -3.46 0.00 0.00 -0.02 0.00 0.00 33.50 30.52 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 8.09 0.00 -3.81 3.45 -2.24 -1.26 0.15 114.28 118.66 1u38 n THR 46 Ca 0.39 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.95 1u38 n THR 46 Cb 0.53 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.26 3.52 -0.07 2.28 -7.23 -1.24 -1.43 120.40 114.97 1u38 s VAL 47 Ca 0.00 -1.37 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 1u38 s VAL 47 Cb 0.00 -3.18 0.01 0.00 0.56 0.00 0.00 36.38 33.76 1u38 s VAL 47 CO 0.00 -0.17 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.82 1u38 s ILE 48 N -2.31 1.46 -0.81 -0.62 1.01 0.21 -2.67 121.20 117.47 1u38 s ILE 48 Ca 0.41 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 1u38 s ILE 48 Cb -0.06 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 1u38 s ILE 48 CO 0.26 0.43 1.83 -0.63 0.00 0.00 0.00 174.94 176.83 1u38 s ILE 49 N 0.50 3.48 -1.79 2.92 1.01 -0.89 -0.96 121.20 125.47 1u38 s ILE 49 Ca -0.15 -0.17 0.26 0.00 0.00 0.00 0.00 60.65 60.59 1u38 s ILE 49 Cb -0.16 -4.14 0.22 0.00 0.01 0.00 0.00 42.46 38.38 1u38 s ILE 49 CO 0.05 -1.09 1.48 0.00 0.00 0.00 0.00 174.94 175.38 1u38 n ALA 50 N 12.78 3.18 -3.61 9.38 0.00 0.18 -0.89 120.51 141.53 1u38 n ALA 50 Ca 0.30 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 1u38 n ALA 50 Cb 0.49 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.51 -0.37 -0.28 0.00 3.84 -1.05 -4.94 114.94 109.63 1u38 s ASN 51 Ca 0.23 -0.22 -0.18 0.00 0.21 0.00 0.00 52.86 52.90 1u38 s ASN 51 Cb 0.19 0.56 0.08 0.00 -0.55 0.00 0.00 41.25 41.53 1u38 s ASN 51 CO 0.53 -0.96 0.72 -0.32 -2.79 0.00 0.00 177.10 174.28 1u38 s MET 52 N -3.55 0.71 -0.55 0.43 1.75 -1.26 -0.54 119.30 116.29 1u38 s MET 52 Ca 0.07 1.13 -0.27 0.00 -1.25 0.00 0.00 55.69 55.37 1u38 s MET 52 Cb -0.02 0.19 -0.02 0.00 2.84 0.00 0.00 34.83 37.82 1u38 s MET 52 CO -0.04 -0.13 1.86 -1.64 -0.65 0.00 0.00 175.02 174.41 1u38 s MET 53 N 1.35 2.75 -0.98 4.11 -1.94 0.12 -4.87 119.30 119.85 1u38 s MET 53 Ca -0.08 0.79 -0.26 0.00 -1.71 0.00 0.00 55.69 54.43 1u38 s MET 53 Cb -0.05 -4.35 -0.20 0.00 2.01 0.00 0.00 34.83 32.24 1u38 s MET 53 CO -0.15 -2.57 1.99 -2.39 -0.01 0.00 0.00 175.02 171.88 1u38 n HIS 54 N 12.34 1.46 0.00 -0.03 1.44 -1.26 -1.80 115.22 127.37 1u38 n HIS 54 Ca 0.21 -0.73 0.00 0.00 -2.01 0.00 0.00 57.72 55.19 1u38 n HIS 54 Cb 0.51 -2.35 0.00 0.00 0.12 0.00 0.00 29.99 28.27 1u38 n HIS 54 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1u38 n GLY 55 N 5.79 0.48 2.30 -1.39 0.00 -1.26 -5.04 105.19 106.07 1u38 n GLY 55 Ca 0.44 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.95 0.22 -0.02 0.00 -0.74 -4.62 105.19 98.08 1u38 n GLY 56 Ca 0.00 -1.60 0.15 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.82 -0.33 132.00 131.58 1u38 h PRO 57 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1u38 h PRO 57 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1u38 h PRO 57 CO 0.18 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 177.96 1u38 h ALA 58 N 1.97 -0.01 0.04 -0.75 0.00 -1.72 -1.37 119.26 117.43 1u38 h ALA 58 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.38 1u38 h ALA 58 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1u38 h ALA 58 CO 0.00 -0.20 -1.02 1.49 0.00 0.00 0.00 179.25 179.52 1u38 h GLU 59 N -0.63 0.17 -0.19 0.00 4.22 -1.62 -3.24 114.58 113.29 1u38 h GLU 59 Ca -0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 59.36 59.18 1u38 h GLU 59 Cb 0.61 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1u38 h GLU 59 CO 0.00 1.05 0.03 0.87 -2.18 0.00 0.00 179.01 178.78 1u38 h LYS 60 N 0.07 0.32 0.02 1.92 1.57 -1.15 -3.32 116.57 116.00 1u38 h LYS 60 Ca -0.06 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1u38 h LYS 60 Cb 1.72 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.99 1u38 h LYS 60 CO 0.15 0.48 -0.01 1.03 -0.57 0.00 0.00 179.45 180.53 1u38 h SER 61 N 0.11 -0.03 0.00 0.86 0.87 -1.33 -3.48 113.55 110.54 1u38 h SER 61 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1u38 h SER 61 Cb 0.32 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1u38 h SER 61 CO 0.00 -0.02 0.00 0.61 -0.53 0.00 0.00 176.83 176.90 1u38 n GLY 62 N -1.01 1.48 0.07 5.77 0.00 -1.22 -5.00 105.19 105.27 1u38 n GLY 62 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.25 1.52 -3.44 1.61 5.02 -1.26 -4.94 118.16 115.40 1u38 n LYS 63 Ca 0.00 0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 55.93 1u38 n LYS 63 Cb 0.00 -1.32 -0.09 0.00 -0.02 0.00 0.00 35.03 33.61 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 -5.21 4.10 -0.05 -0.35 1.43 -1.26 -4.99 118.68 112.35 1u38 s LEU 64 Ca -0.11 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1u38 s LEU 64 Cb 0.04 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1u38 s LEU 64 CO 0.46 -0.09 -0.15 0.20 0.23 0.00 0.00 176.35 177.01 1u38 s ASN 65 N 1.28 1.94 0.31 2.29 0.01 -1.26 -4.85 114.94 114.65 1u38 s ASN 65 Ca 0.15 -0.32 -0.26 0.00 -0.71 0.00 0.00 52.86 51.72 1u38 s ASN 65 Cb -0.15 -0.68 -0.15 0.00 0.41 0.00 0.00 41.25 40.69 1u38 s ASN 65 CO 0.08 0.10 0.69 -0.38 -1.51 0.00 0.00 177.10 176.08 1u38 n ILE 66 N 3.41 1.88 -0.45 0.60 2.08 -1.26 -2.67 119.36 122.95 1u38 n ILE 66 Ca -0.20 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.61 1u38 n ILE 66 Cb 0.53 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.90 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 1.67 0.75 3.96 7.39 0.00 -0.07 -5.00 105.19 113.88 1u38 n GLY 67 Ca 0.13 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.23 5.85 -0.22 1.61 1.01 -1.09 -4.90 116.67 116.71 1u38 s ASP 68 Ca 0.00 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.05 1u38 s ASP 68 Cb 0.00 -1.24 0.04 0.00 1.01 0.00 0.00 42.92 42.73 1u38 s ASP 68 CO 0.00 -0.37 -0.15 -1.10 0.21 0.00 0.00 175.17 173.75 1u38 s GLN 69 N -4.11 2.59 -0.30 8.23 -1.52 -0.94 -2.10 119.66 121.51 1u38 s GLN 69 Ca 0.43 -1.06 -0.21 0.00 -1.95 0.00 0.00 55.36 52.57 1u38 s GLN 69 Cb -0.09 -2.70 -0.01 0.00 -0.22 0.00 0.00 33.01 30.00 1u38 s GLN 69 CO 0.30 -0.39 0.68 0.42 -0.25 0.00 0.00 175.29 176.05 1u38 s ILE 70 N 1.21 4.90 -0.06 1.08 1.01 -1.09 -0.51 121.20 127.74 1u38 s ILE 70 Ca -0.02 1.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.63 1u38 s ILE 70 Cb -0.16 -4.03 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 1u38 s ILE 70 CO -0.09 -0.14 -0.02 0.24 0.00 0.00 0.00 174.94 174.93 1u38 h MET 71 N 8.11 0.00 -5.01 2.79 2.86 -1.62 -3.30 114.93 118.76 1u38 h MET 71 Ca -0.26 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 56.99 1u38 h MET 71 Cb 1.11 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 32.53 1u38 h MET 71 CO 0.82 0.00 -0.77 0.45 1.06 0.00 0.00 176.91 178.47 1u38 s SER 72 N -4.51 1.34 -0.27 1.22 0.15 -1.23 -1.84 113.70 108.57 1u38 s SER 72 Ca -0.01 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1u38 s SER 72 Cb 0.00 -0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.29 1u38 s SER 72 CO 0.02 -0.02 -0.06 -0.63 1.20 0.00 0.00 173.24 173.74 1u38 s ILE 73 N -0.90 2.61 -1.88 6.45 1.01 -0.80 -1.83 121.20 125.85 1u38 s ILE 73 Ca -0.01 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.23 1u38 s ILE 73 Cb -0.08 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.93 1u38 s ILE 73 CO 0.01 0.00 0.00 0.59 0.00 0.00 0.00 174.94 175.54 1u38 n ASN 74 N 4.55 -5.60 0.00 3.58 3.02 0.20 -1.64 115.26 119.36 1u38 n ASN 74 Ca -0.14 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1u38 n ASN 74 Cb 0.44 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 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 -0.81 2.10 3.55 7.41 0.00 -1.26 -5.02 105.19 111.15 1u38 n GLY 75 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.25 3.16 -0.21 2.61 2.01 -0.65 -4.91 115.64 115.40 1u38 s THR 76 Ca 0.00 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 1u38 s THR 76 Cb 0.00 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 1u38 s THR 76 CO 0.00 -0.37 1.33 -0.44 -0.69 0.00 0.00 174.62 174.45 1u38 s SER 77 N 10.31 6.79 -0.14 3.53 0.01 -1.26 -1.90 113.70 131.03 1u38 s SER 77 Ca 0.85 1.57 0.15 0.00 1.31 0.00 0.00 55.95 59.82 1u38 s SER 77 Cb -0.13 -2.54 0.38 0.00 0.21 0.00 0.00 66.02 63.93 1u38 s SER 77 CO 0.17 -0.92 1.19 0.00 0.41 0.00 0.00 173.24 174.08 1u38 n LEU 78 N 7.13 2.16 -4.58 2.44 -0.00 -0.77 -4.97 117.00 118.42 1u38 n LEU 78 Ca 0.15 -3.23 -0.35 0.00 -0.00 0.00 0.00 56.01 52.58 1u38 n LEU 78 Cb 0.45 -0.38 -0.03 0.00 -0.00 0.00 0.00 43.42 43.46 1u38 n LEU 78 CO 0.59 1.05 1.72 -0.69 -0.00 0.00 0.00 177.39 180.06 1u38 s VAL 79 N -2.36 3.81 0.00 1.47 1.01 -1.22 -2.49 120.40 120.62 1u38 s VAL 79 Ca 0.34 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1u38 s VAL 79 Cb 0.34 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1u38 s VAL 79 CO -0.07 -1.48 0.00 0.61 0.00 0.00 0.00 175.10 174.16 1u38 n GLY 80 N 5.63 0.71 3.87 4.51 0.00 0.40 -4.79 105.19 115.53 1u38 n GLY 80 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 3.53 0.00 0.99 1.43 -1.04 -4.99 118.68 118.61 1u38 s LEU 81 Ca 0.00 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 1u38 s LEU 81 Cb 0.00 -4.24 0.18 0.00 0.03 0.00 0.00 46.19 42.16 1u38 s LEU 81 CO 0.00 -0.64 0.48 -0.81 0.23 0.00 0.00 176.35 175.61 1u38 n PRO 82 N -2.09 -2.89 0.11 1.29 -0.04 -1.26 -4.82 135.00 125.29 1u38 n PRO 82 Ca 0.04 -0.79 -0.23 0.00 -0.04 0.00 0.00 63.50 62.48 1u38 n PRO 82 Cb 0.54 -0.90 -0.14 0.00 -0.04 0.00 0.00 33.50 32.97 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 0.88 -0.68 1.53 5.85 -1.95 -3.01 115.31 117.93 1u38 h LEU 83 Ca -0.20 -0.84 0.10 0.00 0.84 0.00 0.00 57.88 57.78 1u38 h LEU 83 Cb 0.65 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1u38 h LEU 83 CO 0.13 1.64 0.30 0.77 -0.34 0.00 0.00 178.44 180.93 1u38 h SER 84 N 0.25 0.34 0.24 1.25 4.64 -1.98 0.21 113.55 118.50 1u38 h SER 84 Ca -0.21 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1u38 h SER 84 Cb 1.98 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 1u38 h SER 84 CO 0.25 0.18 -0.12 0.74 -0.87 0.00 0.00 176.83 177.02 1u38 h THR 85 N 0.50 0.81 -0.04 2.95 2.02 -1.93 -2.33 112.91 114.90 1u38 h THR 85 Ca 0.35 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1u38 h THR 85 Cb 0.43 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1u38 h THR 85 CO -0.31 0.08 -0.15 0.00 0.37 0.00 0.00 175.52 175.51 1u38 h GLN 87 N -0.23 0.48 -0.65 0.00 4.20 -0.61 0.60 115.11 118.89 1u38 h GLN 87 Ca 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1u38 h GLN 87 Cb 0.32 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1u38 h GLN 87 CO -0.18 0.32 0.38 0.77 -0.67 0.00 0.00 178.83 179.45 1u38 h SER 88 N 0.49 0.79 -0.11 1.46 0.02 -0.72 -0.19 113.55 115.28 1u38 h SER 88 Ca 0.52 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.43 1u38 h SER 88 Cb 0.90 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1u38 h SER 88 CO -0.46 0.62 0.03 0.40 -1.14 0.00 0.00 176.83 176.28 1u38 h ILE 89 N 0.90 0.96 -0.00 3.27 1.08 0.11 -0.61 117.51 123.23 1u38 h ILE 89 Ca 0.23 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.68 1u38 h ILE 89 Cb -0.01 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1u38 h ILE 89 CO -0.04 0.01 -0.00 0.40 -0.69 0.00 0.00 178.15 177.83 1u38 h ILE 90 N 0.08 1.50 -0.00 -0.67 2.04 -1.11 -3.13 117.51 116.23 1u38 h ILE 90 Ca 0.05 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1u38 h ILE 90 Cb 0.03 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1u38 h ILE 90 CO -0.06 0.38 0.03 0.07 0.00 0.00 0.00 178.15 178.58 1u38 h LYS 91 N -0.62 0.00 0.00 2.37 5.09 -1.04 -0.45 116.57 121.91 1u38 h LYS 91 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.63 1u38 h LYS 91 Cb 0.63 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.95 1u38 h LYS 91 CO 0.00 0.00 -0.53 0.78 -2.09 0.00 0.00 179.45 177.61 1u38 h GLY 92 N 0.00 0.00 -5.67 0.07 0.00 -1.04 -3.28 103.07 93.15 1u38 h GLY 92 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 1u38 h GLY 92 CO -0.00 0.00 0.46 1.47 0.00 0.00 0.00 176.54 178.47 1u38 n LEU 93 N -3.70 6.42 0.04 3.11 -0.00 -0.18 -4.69 117.00 118.01 1u38 n LEU 93 Ca -0.01 -5.37 -0.08 0.00 -0.00 0.00 0.00 56.01 50.55 1u38 n LEU 93 Cb 0.58 -0.94 -0.13 0.00 -0.00 0.00 0.00 43.42 42.93 1u38 n LEU 93 CO 0.40 2.10 -0.06 0.50 -0.00 0.00 0.00 177.39 180.34 1u38 h LYS 94 N 3.57 0.03 -1.13 1.47 3.11 -1.68 -3.31 116.57 118.62 1u38 h LYS 94 Ca 0.42 -0.05 -0.53 0.00 -2.81 0.00 0.00 60.65 57.68 1u38 h LYS 94 Cb 0.37 0.02 -0.24 0.00 -1.00 0.00 0.00 32.23 31.37 1u38 h LYS 94 CO 1.10 0.90 0.68 0.09 -2.81 0.00 0.00 179.45 179.41 1u38 n ASN 95 N -3.29 6.38 -4.88 4.20 3.02 -1.26 -3.65 115.26 115.78 1u38 n ASN 95 Ca -0.05 -3.50 -0.34 0.00 -0.03 0.00 0.00 54.58 50.65 1u38 n ASN 95 Cb 0.98 -0.95 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 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 -3.06 3.38 0.00 3.52 -0.21 -1.25 -4.81 119.66 117.24 1u38 s GLN 96 Ca 0.52 -0.28 0.24 0.00 0.02 0.00 0.00 55.36 55.85 1u38 s GLN 96 Cb 0.42 -3.09 0.21 0.00 1.00 0.00 0.00 33.01 31.55 1u38 s GLN 96 CO 0.02 0.70 1.22 -1.13 -2.12 0.00 0.00 175.29 173.98 1u38 n SER 97 N 1.31 1.53 -3.66 5.90 3.41 -1.26 -4.34 113.62 116.51 1u38 n SER 97 Ca -0.14 -1.21 -0.12 0.00 -0.26 0.00 0.00 58.87 57.14 1u38 n SER 97 Cb 0.53 0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 64.83 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 -2.58 0.69 -0.08 4.33 3.52 -1.26 -1.60 118.95 121.97 1u38 s ARG 98 Ca 0.18 0.90 0.00 0.00 -0.13 0.00 0.00 55.73 56.69 1u38 s ARG 98 Cb 0.18 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 1u38 s ARG 98 CO 0.60 -0.10 -0.06 0.08 -0.81 0.00 0.00 175.30 175.01 1u38 s VAL 99 N 0.60 0.77 -0.21 7.11 1.01 -0.46 -4.96 120.40 124.26 1u38 s VAL 99 Ca -0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 1u38 s VAL 99 Cb -0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1u38 s VAL 99 CO -0.03 0.31 0.12 -0.54 0.00 0.00 0.00 175.10 174.96 1u38 s LYS 100 N 1.42 4.11 -0.09 2.72 1.02 -1.26 -0.68 119.74 126.99 1u38 s LYS 100 Ca -0.02 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 55.68 1u38 s LYS 100 Cb -0.13 -3.41 0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1u38 s LYS 100 CO -0.04 0.22 0.06 -0.51 -0.92 0.00 0.00 175.35 174.17 1u38 s LEU 101 N 0.57 0.28 -0.85 3.17 1.43 0.28 0.58 118.68 124.14 1u38 s LEU 101 Ca 0.07 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.80 1u38 s LEU 101 Cb -0.12 -0.22 0.11 0.00 0.03 0.00 0.00 46.19 46.00 1u38 s LEU 101 CO 0.00 -0.28 1.08 0.21 0.23 0.00 0.00 176.35 177.59 1u38 s ASN 102 N 2.13 6.49 0.40 2.29 3.04 -0.76 0.14 114.94 128.66 1u38 s ASN 102 Ca 0.04 -1.73 0.08 0.00 0.04 0.00 0.00 52.86 51.29 1u38 s ASN 102 Cb -0.13 -2.41 -0.06 0.00 -1.54 0.00 0.00 41.25 37.11 1u38 s ASN 102 CO -0.05 -1.18 0.09 0.27 -3.04 0.00 0.00 177.10 173.19 1u38 s ILE 103 N 3.12 2.27 -0.21 -5.21 -4.36 -0.83 -1.52 121.20 114.46 1u38 s ILE 103 Ca 0.29 -1.85 -0.02 0.00 -0.26 0.00 0.00 60.65 58.81 1u38 s ILE 103 Cb -0.09 -2.95 0.01 0.00 1.25 0.00 0.00 42.46 40.68 1u38 s ILE 103 CO -0.04 -0.04 -0.10 -0.69 0.24 0.00 0.00 174.94 174.31 1u38 s VAL 104 N -2.62 2.87 -2.54 8.37 1.01 0.33 0.13 120.40 127.95 1u38 s VAL 104 Ca 0.38 -0.71 0.28 0.00 0.00 0.00 0.00 61.98 61.93 1u38 s VAL 104 Cb 0.05 -2.30 0.52 0.00 0.00 0.00 0.00 36.38 34.66 1u38 s VAL 104 CO 0.20 0.44 1.71 -1.14 0.00 0.00 0.00 175.10 176.31