#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4a s ASP 15 N 0.00 -0.93 -0.30 6.41 2.15 -1.26 -5.12 116.67 117.62 1u4a s ASP 15 Ca 0.00 -1.33 -0.11 0.00 0.43 0.00 0.00 52.55 51.54 1u4a s ASP 15 Cb 0.00 1.59 0.14 0.00 -0.30 0.00 0.00 42.92 44.35 1u4a s ASP 15 CO 0.00 -0.15 0.70 -1.00 -0.17 0.00 0.00 175.17 174.56 1u4a s HIS 16 N 1.38 -1.25 -0.01 -5.34 3.76 -1.26 -4.52 115.29 108.05 1u4a s HIS 16 Ca 0.21 2.15 -0.29 0.00 -0.15 0.00 0.00 55.06 56.98 1u4a s HIS 16 Cb -0.04 0.74 -0.03 0.00 1.11 0.00 0.00 32.58 34.36 1u4a s HIS 16 CO -0.06 -0.62 0.94 0.96 -0.85 0.00 0.00 174.74 175.10 1u4a s ILE 17 N 2.83 4.89 -0.31 0.60 -4.36 0.25 -4.86 121.20 120.24 1u4a s ILE 17 Ca -0.05 1.97 -0.28 0.00 -0.26 0.00 0.00 60.65 62.03 1u4a s ILE 17 Cb -0.11 -4.28 0.01 0.00 1.25 0.00 0.00 42.46 39.33 1u4a s ILE 17 CO -0.19 0.18 1.01 0.20 0.24 0.00 0.00 174.94 176.38 1u4a s ASN 18 N 0.97 6.88 -0.03 4.36 0.01 -1.25 -3.22 114.94 122.66 1u4a s ASN 18 Ca 0.50 0.97 0.03 0.00 -0.71 0.00 0.00 52.86 53.65 1u4a s ASN 18 Cb -0.21 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1u4a s ASN 18 CO 0.27 -0.81 -0.10 -0.22 -1.51 0.00 0.00 177.10 174.72 1u4a s LEU 19 N 3.47 1.81 -0.43 0.60 0.20 -1.20 -3.03 118.68 120.11 1u4a s LEU 19 Ca 0.42 -0.21 -0.11 0.00 0.69 0.00 0.00 54.13 54.92 1u4a s LEU 19 Cb -0.13 -0.60 0.07 0.00 -0.43 0.00 0.00 46.19 45.10 1u4a s LEU 19 CO 0.14 0.08 0.29 -0.54 -0.29 0.00 0.00 176.35 176.03 1u4a s LYS 20 N 0.16 2.76 -0.14 1.98 3.01 -0.69 -1.93 119.74 124.88 1u4a s LYS 20 Ca -0.03 -1.35 -0.27 0.00 -1.01 0.00 0.00 55.97 53.31 1u4a s LYS 20 Cb -0.09 -3.88 -0.01 0.00 -1.01 0.00 0.00 37.83 32.85 1u4a s LYS 20 CO 0.01 -0.92 0.91 0.08 0.51 0.00 0.00 175.35 175.93 1u4a s VAL 21 N 1.52 4.84 0.54 3.17 1.01 -0.04 -2.32 120.40 129.11 1u4a s VAL 21 Ca 0.03 1.82 0.08 0.00 0.00 0.00 0.00 61.98 63.91 1u4a s VAL 21 Cb -0.23 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 31.99 1u4a s VAL 21 CO 0.04 0.01 0.58 0.00 0.00 0.00 0.00 175.10 175.74 1u4a s ALA 22 N 2.10 4.54 0.00 5.51 0.00 0.27 0.18 121.76 134.36 1u4a s ALA 22 Ca 0.43 -1.72 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 1u4a s ALA 22 Cb -0.17 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 1u4a s ALA 22 CO 0.14 -0.61 0.08 0.20 0.00 0.00 0.00 175.76 175.57 1u4a s GLY 23 N -4.45 0.09 0.33 0.00 0.00 -1.13 -0.91 107.32 101.26 1u4a s GLY 23 Ca 0.48 -0.23 0.08 0.00 0.00 0.00 0.00 44.72 45.06 1u4a s GLY 23 CO 0.30 -0.33 1.82 -1.61 0.00 0.00 0.00 173.10 173.27 1u4a h GLN 24 N 4.56 0.70 -1.01 2.90 4.15 -1.82 0.18 115.11 124.77 1u4a h GLN 24 Ca -0.31 -0.04 -0.56 0.00 0.77 0.00 0.00 58.65 58.52 1u4a h GLN 24 Cb 1.20 -0.16 -0.30 0.00 0.21 0.00 0.00 27.48 28.44 1u4a h GLN 24 CO 0.41 0.46 0.71 -3.47 -1.93 0.00 0.00 178.83 175.02 1u4a n ASP 25 N -4.66 5.01 -2.10 -0.69 2.03 -1.26 -4.93 116.55 109.95 1u4a n ASP 25 Ca 0.21 -3.63 -0.02 0.00 0.52 0.00 0.00 54.79 51.87 1u4a n ASP 25 Cb 0.55 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 1u4a n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u4a n GLY 26 N -1.02 -1.93 2.26 0.27 0.00 0.05 -5.05 105.19 99.77 1u4a n GLY 26 Ca 0.59 0.36 -0.21 0.00 0.00 0.00 0.00 46.02 46.76 1u4a n GLY 26 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u4a n SER 27 N -0.13 -0.11 -4.55 1.61 2.88 -1.22 -4.83 113.62 107.26 1u4a n SER 27 Ca 0.03 -2.83 -0.43 0.00 -1.33 0.00 0.00 58.87 54.32 1u4a n SER 27 Cb 0.13 -0.31 -0.04 0.00 -0.75 0.00 0.00 64.21 63.24 1u4a n SER 27 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1u4a s VAL 28 N -1.15 4.36 0.09 2.46 1.01 -1.25 -2.83 120.40 123.09 1u4a s VAL 28 Ca 0.35 0.61 0.08 0.00 0.00 0.00 0.00 61.98 63.03 1u4a s VAL 28 Cb 0.21 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1u4a s VAL 28 CO -0.12 -1.03 -0.21 0.68 0.00 0.00 0.00 175.10 174.42 1u4a s VAL 29 N 4.05 1.75 -0.42 2.92 -7.23 0.13 -4.97 120.40 116.62 1u4a s VAL 29 Ca 0.36 -1.49 -0.20 0.00 -1.81 0.00 0.00 61.98 58.84 1u4a s VAL 29 Cb -0.10 -1.57 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1u4a s VAL 29 CO 0.24 0.01 0.58 -1.58 -0.31 0.00 0.00 175.10 174.04 1u4a s GLN 30 N -1.77 3.30 0.35 4.82 0.74 -1.26 -0.86 119.66 124.98 1u4a s GLN 30 Ca 0.07 -0.41 0.08 0.00 0.05 0.00 0.00 55.36 55.16 1u4a s GLN 30 Cb -0.10 -3.93 -0.05 0.00 1.10 0.00 0.00 33.01 30.04 1u4a s GLN 30 CO 0.04 -0.92 0.12 -0.06 -0.55 0.00 0.00 175.29 173.92 1u4a s PHE 31 N 2.61 2.66 0.02 1.67 0.08 -0.81 -5.00 117.98 119.21 1u4a s PHE 31 Ca 0.20 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.87 1u4a s PHE 31 Cb -0.15 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 1u4a s PHE 31 CO 0.17 0.34 -0.13 0.21 -0.10 0.00 0.00 175.22 175.71 1u4a s LYS 32 N -3.83 0.95 -0.06 0.44 2.20 -1.26 -3.22 119.74 114.97 1u4a s LYS 32 Ca 0.38 -0.64 -0.22 0.00 -0.36 0.00 0.00 55.97 55.13 1u4a s LYS 32 Cb -0.01 -0.94 0.05 0.00 -1.51 0.00 0.00 37.83 35.42 1u4a s LYS 32 CO 0.22 0.24 0.51 -1.50 -0.36 0.00 0.00 175.35 174.46 1u4a s ILE 33 N -0.65 0.02 0.99 5.43 2.07 -1.20 -4.94 121.20 122.93 1u4a s ILE 33 Ca 0.03 -0.20 -0.16 0.00 -1.41 0.00 0.00 60.65 58.91 1u4a s ILE 33 Cb -0.07 -0.80 0.20 0.00 0.13 0.00 0.00 42.46 41.92 1u4a s ILE 33 CO 0.01 -0.11 1.26 -1.59 -1.91 0.00 0.00 174.94 172.59 1u4a s LYS 34 N -1.02 0.47 -0.59 3.50 -2.85 -1.26 0.85 119.74 118.85 1u4a s LYS 34 Ca -0.10 -0.24 0.02 0.00 -1.00 0.00 0.00 55.97 54.65 1u4a s LYS 34 Cb -0.03 -1.81 0.40 0.00 -2.06 0.00 0.00 37.83 34.33 1u4a s LYS 34 CO 0.06 -2.55 1.48 -2.13 0.10 0.00 0.00 175.35 172.31 1u4a n ARG 35 N -3.90 3.17 -1.59 1.78 0.63 -1.26 -4.55 116.66 110.94 1u4a n ARG 35 Ca 0.13 -4.09 -0.04 0.00 -0.92 0.00 0.00 57.85 52.93 1u4a n ARG 35 Cb 0.60 -2.26 -0.00 0.00 0.45 0.00 0.00 32.46 31.24 1u4a n ARG 35 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1u4a n HIS 36 N -0.53 -0.54 -3.59 -0.14 8.25 -1.26 -5.07 115.22 112.34 1u4a n HIS 36 Ca 0.46 -0.91 -0.16 0.00 -0.26 0.00 0.00 57.72 56.85 1u4a n HIS 36 Cb 0.52 0.72 -0.07 0.00 1.12 0.00 0.00 29.99 32.29 1u4a n HIS 36 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1u4a s THR 37 N -0.11 0.00 1.04 1.59 -4.23 -1.26 -5.17 115.64 107.49 1u4a s THR 37 Ca 0.06 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.45 1u4a s THR 37 Cb 0.17 -1.00 0.17 0.00 1.34 0.00 0.00 72.50 73.18 1u4a s THR 37 CO -0.05 0.00 0.79 -2.65 -0.54 0.00 0.00 174.62 172.17 1u4a n PRO 38 N 2.00 -1.25 0.16 3.99 -0.02 -1.26 -4.85 135.00 133.77 1u4a n PRO 38 Ca -0.16 -0.32 0.11 0.00 -2.02 0.00 0.00 63.50 61.11 1u4a n PRO 38 Cb 0.56 -2.11 0.59 0.00 -0.02 0.00 0.00 33.50 32.51 1u4a n PRO 38 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1u4a n LEU 39 N -3.54 0.56 -0.20 2.45 4.77 0.25 -2.52 117.00 118.77 1u4a n LEU 39 Ca 0.06 0.76 0.22 0.00 -0.03 0.00 0.00 56.01 57.02 1u4a n LEU 39 Cb 0.54 -0.83 0.59 0.00 -2.33 0.00 0.00 43.42 41.39 1u4a n LEU 39 CO 0.52 -0.95 1.23 0.77 -1.33 0.00 0.00 177.39 177.64 1u4a h SER 40 N 0.00 0.26 0.60 -1.43 4.64 0.37 -0.83 113.55 117.15 1u4a h SER 40 Ca 0.00 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1u4a h SER 40 Cb 0.01 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1u4a h SER 40 CO 0.00 0.10 -0.44 0.11 -0.87 0.00 0.00 176.83 175.73 1u4a h LYS 41 N 0.26 -0.97 -0.73 4.77 1.79 -1.78 -0.80 116.57 119.11 1u4a h LYS 41 Ca 0.44 0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.95 1u4a h LYS 41 Cb 1.30 0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 32.14 1u4a h LYS 41 CO -0.11 -0.65 0.37 1.25 -1.08 0.00 0.00 179.45 179.23 1u4a h LEU 42 N -1.01 0.92 0.11 2.94 5.85 -1.61 -2.12 115.31 120.40 1u4a h LEU 42 Ca -0.07 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1u4a h LEU 42 Cb 0.84 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1u4a h LEU 42 CO 0.03 0.76 -0.30 -0.03 -0.34 0.00 0.00 178.44 178.56 1u4a h MET 43 N 1.02 -0.49 -0.56 1.25 4.05 -0.84 0.19 114.93 119.54 1u4a h MET 43 Ca 0.25 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.70 1u4a h MET 43 Cb 0.07 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 1u4a h MET 43 CO -0.04 -0.33 0.31 0.87 0.23 0.00 0.00 176.91 177.96 1u4a h LYS 44 N -0.51 0.78 -0.79 0.39 1.57 -1.00 0.46 116.57 117.46 1u4a h LYS 44 Ca 0.03 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1u4a h LYS 44 Cb 0.55 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1u4a h LYS 44 CO -0.18 0.59 0.51 0.00 -0.57 0.00 0.00 179.45 179.79 1u4a h ALA 45 N 1.15 1.01 0.11 3.86 0.00 -1.02 0.18 119.26 124.54 1u4a h ALA 45 Ca 0.20 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 1u4a h ALA 45 Cb 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 17.52 1u4a h ALA 45 CO -0.03 0.44 -0.96 -0.92 0.00 0.00 0.00 179.25 177.77 1u4a h TYR 46 N 1.08 0.77 -0.46 0.00 5.03 -0.39 -2.19 116.97 120.80 1u4a h TYR 46 Ca 0.29 -0.49 -0.06 0.00 2.58 0.00 0.00 58.73 61.05 1u4a h TYR 46 Cb -0.10 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.11 1u4a h TYR 46 CO -0.01 1.35 0.06 0.66 -1.32 0.00 0.00 178.16 178.89 1u4a h SER 47 N -0.03 0.75 0.33 -2.11 4.64 0.02 -3.09 113.55 114.06 1u4a h SER 47 Ca -0.15 -0.27 -0.20 0.00 -0.47 0.00 0.00 61.79 60.70 1u4a h SER 47 Cb 1.69 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1u4a h SER 47 CO 0.18 0.84 -0.81 -0.08 -0.87 0.00 0.00 176.83 176.09 1u4a h GLU 48 N 0.64 0.37 0.24 4.77 4.81 -0.77 0.06 114.58 124.71 1u4a h GLU 48 Ca 0.14 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1u4a h GLU 48 Cb 0.42 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1u4a h GLU 48 CO 0.01 1.01 -0.39 0.00 -0.73 0.00 0.00 179.01 178.91 1u4a h ARG 49 N 0.23 -0.67 0.05 1.92 3.08 -1.33 -3.28 114.38 114.37 1u4a h ARG 49 Ca -0.05 0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1u4a h ARG 49 Cb 1.42 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.62 1u4a h ARG 49 CO 0.14 -0.45 -0.64 1.96 -1.07 0.00 0.00 179.97 179.90 1u4a h GLN 50 N -0.70 0.10 0.00 0.04 7.50 -1.65 -3.50 115.11 116.90 1u4a h GLN 50 Ca -0.00 -0.18 0.00 0.00 0.50 0.00 0.00 58.65 58.97 1u4a h GLN 50 Cb 0.68 0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.27 1u4a h GLN 50 CO -0.15 1.08 0.00 0.41 -1.50 0.00 0.00 178.83 178.67 1u4a n GLY 51 N 1.61 0.71 0.00 3.46 0.00 -0.03 -5.11 105.19 105.84 1u4a n GLY 51 Ca -0.17 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1u4a n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u4a n LEU 52 N 0.00 1.18 -3.57 0.99 7.99 -0.97 -5.05 117.00 117.58 1u4a n LEU 52 Ca 0.00 0.02 -0.06 0.00 -0.01 0.00 0.00 56.01 55.96 1u4a n LEU 52 Cb 0.00 -0.05 -0.03 0.00 -0.11 0.00 0.00 43.42 43.23 1u4a n LEU 52 CO 0.00 -0.05 0.89 -0.44 -1.51 0.00 0.00 177.39 176.27 1u4a s SER 53 N -1.28 -0.23 -0.21 -1.43 0.01 -1.26 -5.05 113.70 104.25 1u4a s SER 53 Ca 0.00 0.06 0.05 0.00 1.31 0.00 0.00 55.95 57.37 1u4a s SER 53 Cb 0.00 0.23 -0.16 0.00 0.21 0.00 0.00 66.02 66.30 1u4a s SER 53 CO 0.00 -0.36 -0.13 0.80 0.41 0.00 0.00 173.24 173.97 1u4a n MET 54 N 0.01 0.72 -1.09 12.44 1.56 -1.26 -4.47 117.12 125.04 1u4a n MET 54 Ca -0.04 0.09 -0.14 0.00 -0.27 0.00 0.00 57.70 57.34 1u4a n MET 54 Cb 0.59 -1.44 0.24 0.00 2.15 0.00 0.00 33.22 34.76 1u4a n MET 54 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1u4a n ARG 55 N -3.01 2.87 -2.75 2.12 3.00 -1.26 -4.64 116.66 112.99 1u4a n ARG 55 Ca -0.36 -3.06 -0.05 0.00 -0.00 0.00 0.00 57.85 54.38 1u4a n ARG 55 Cb 0.95 -2.16 0.02 0.00 0.00 0.00 0.00 32.46 31.27 1u4a n ARG 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1u4a n GLN 56 N -0.71 0.57 -3.67 -0.14 1.13 -1.26 -5.15 117.38 108.15 1u4a n GLN 56 Ca 0.49 -1.93 -0.11 0.00 -1.94 0.00 0.00 57.00 53.51 1u4a n GLN 56 Cb 1.48 -1.41 -0.06 0.00 0.11 0.00 0.00 30.24 30.36 1u4a n GLN 56 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1u4a s ILE 57 N 0.83 0.07 -0.28 5.09 -1.09 -1.26 -4.55 121.20 120.01 1u4a s ILE 57 Ca 0.30 -0.59 -0.11 0.00 -2.23 0.00 0.00 60.65 58.02 1u4a s ILE 57 Cb 0.05 -1.08 0.11 0.00 -1.58 0.00 0.00 42.46 39.96 1u4a s ILE 57 CO -0.09 -0.33 0.63 0.00 -1.23 0.00 0.00 174.94 173.92 1u4a s ARG 58 N -3.20 0.59 0.21 2.79 1.04 -1.15 -4.90 118.95 114.33 1u4a s ARG 58 Ca -0.01 1.33 -0.05 0.00 -1.04 0.00 0.00 55.73 55.96 1u4a s ARG 58 Cb 0.01 0.58 -0.06 0.00 -2.04 0.00 0.00 34.95 33.45 1u4a s ARG 58 CO -0.08 -0.19 0.47 -0.06 -0.04 0.00 0.00 175.30 175.41 1u4a s PHE 59 N 2.45 3.46 -0.06 5.89 0.08 -1.08 -0.05 117.98 128.67 1u4a s PHE 59 Ca -0.07 0.63 0.01 0.00 0.12 0.00 0.00 56.93 57.62 1u4a s PHE 59 Cb -0.10 -2.07 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1u4a s PHE 59 CO -0.19 0.31 -0.07 0.50 -0.10 0.00 0.00 175.22 175.68 1u4a s ARG 60 N -3.04 1.18 -0.73 0.44 3.52 0.43 -0.07 118.95 120.69 1u4a s ARG 60 Ca 0.43 -0.20 -0.11 0.00 -0.13 0.00 0.00 55.73 55.72 1u4a s ARG 60 Cb -0.11 -1.14 0.19 0.00 -1.56 0.00 0.00 34.95 32.32 1u4a s ARG 60 CO 0.26 -0.10 0.63 0.12 -0.81 0.00 0.00 175.30 175.40 1u4a s PHE 61 N 1.09 3.61 -1.52 5.12 5.36 -0.71 -0.14 117.98 130.78 1u4a s PHE 61 Ca -0.08 -2.09 -0.13 0.00 -0.96 0.00 0.00 56.93 53.67 1u4a s PHE 61 Cb -0.14 -3.65 0.08 0.00 -0.34 0.00 0.00 43.02 38.97 1u4a s PHE 61 CO -0.01 -0.96 0.95 -0.25 -1.46 0.00 0.00 175.22 173.50 1u4a n ASP 62 N 4.05 -4.90 0.00 6.13 8.00 -1.26 -1.79 116.55 126.78 1u4a n ASP 62 Ca 0.08 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1u4a n ASP 62 Cb 0.44 -3.91 0.00 0.00 -0.02 0.00 0.00 41.12 37.63 1u4a n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u4a n GLY 63 N -1.67 0.89 3.01 0.44 0.00 -1.26 -5.06 105.19 101.53 1u4a n GLY 63 Ca 0.04 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1u4a n GLY 63 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u4a s GLN 64 N -0.76 1.86 -0.46 1.61 0.74 -0.74 -5.07 119.66 116.84 1u4a s GLN 64 Ca 0.00 -2.26 -0.31 0.00 0.05 0.00 0.00 55.36 52.84 1u4a s GLN 64 Cb 0.00 -3.35 -0.11 0.00 1.10 0.00 0.00 33.01 30.65 1u4a s GLN 64 CO 0.00 -1.05 2.33 -2.30 -0.55 0.00 0.00 175.29 173.72 1u4a n PRO 65 N 3.72 1.02 -4.29 1.67 -0.02 -1.26 -1.73 135.00 134.11 1u4a n PRO 65 Ca 0.04 0.20 -0.23 0.00 -2.02 0.00 0.00 63.50 61.49 1u4a n PRO 65 Cb 0.37 -2.69 -0.07 0.00 -0.02 0.00 0.00 33.50 31.09 1u4a n PRO 65 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1u4a s ILE 66 N 9.03 3.42 0.32 4.25 -4.36 0.90 -4.99 121.20 129.76 1u4a s ILE 66 Ca 1.09 -1.91 0.07 0.00 -0.26 0.00 0.00 60.65 59.64 1u4a s ILE 66 Cb -0.66 -2.85 -0.02 0.00 1.25 0.00 0.00 42.46 40.18 1u4a s ILE 66 CO 0.41 -0.36 0.35 0.21 0.24 0.00 0.00 174.94 175.79 1u4a s ASN 67 N -3.68 5.60 0.29 4.36 3.84 -1.26 -2.63 114.94 121.47 1u4a s ASN 67 Ca 0.32 -0.34 0.24 0.00 0.21 0.00 0.00 52.86 53.29 1u4a s ASN 67 Cb -0.06 -1.15 1.05 0.00 -0.55 0.00 0.00 41.25 40.54 1u4a s ASN 67 CO 0.20 -0.34 1.73 1.05 -2.79 0.00 0.00 177.10 176.95 1u4a h GLU 68 N 1.14 0.00 -1.02 0.43 4.11 -1.92 -2.88 114.58 114.44 1u4a h GLU 68 Ca -0.46 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.67 1u4a h GLU 68 Cb 1.25 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.33 1u4a h GLU 68 CO 0.57 0.00 0.38 0.25 0.07 0.00 0.00 179.01 180.28 1u4a n THR 69 N -2.30 2.28 -1.97 -1.06 -2.24 -1.26 0.99 114.28 108.72 1u4a n THR 69 Ca 0.01 -1.12 -0.32 0.00 -2.27 0.00 0.00 64.05 60.35 1u4a n THR 69 Cb 0.20 -0.73 0.02 0.00 -2.10 0.00 0.00 70.33 67.71 1u4a n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u4a s ASP 70 N -0.29 5.78 0.25 3.42 -1.08 -1.09 -4.77 116.67 118.89 1u4a s ASP 70 Ca 0.32 1.74 0.00 0.00 -0.52 0.00 0.00 52.55 54.09 1u4a s ASP 70 Cb 0.27 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 1u4a s ASP 70 CO 0.06 -1.17 0.00 0.41 0.52 0.00 0.00 175.17 174.99 1u4a n THR 71 N -2.25 0.00 -0.00 1.71 -1.04 -1.26 -0.58 114.28 110.85 1u4a n THR 71 Ca 0.08 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.99 1u4a n THR 71 Cb 0.53 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.01 1u4a n THR 71 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1u4a h PRO 72 N 0.00 -0.31 -0.62 -2.82 0.11 -2.00 0.45 132.00 126.82 1u4a h PRO 72 Ca 0.00 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 1u4a h PRO 72 Cb 0.00 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 1u4a h PRO 72 CO 0.00 -0.20 0.23 0.00 -0.21 0.00 0.00 178.00 177.82 1u4a h ALA 73 N 0.61 1.25 0.00 -0.75 0.00 -1.99 -1.50 119.26 116.89 1u4a h ALA 73 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u4a h ALA 73 Cb 0.48 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u4a h ALA 73 CO -0.32 0.55 -0.00 0.37 0.00 0.00 0.00 179.25 179.84 1u4a h GLN 74 N 0.89 0.00 0.12 0.00 4.15 -1.62 -2.46 115.11 116.19 1u4a h GLN 74 Ca 0.21 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.34 1u4a h GLN 74 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1u4a h GLN 74 CO -0.02 0.00 -1.35 -0.07 -1.93 0.00 0.00 178.83 175.47 1u4a h LEU 75 N 0.00 0.41 -0.62 -2.39 3.38 0.12 -3.32 115.31 112.89 1u4a h LEU 75 Ca -0.00 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1u4a h LEU 75 Cb 0.36 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1u4a h LEU 75 CO 0.00 1.39 0.03 -0.08 0.09 0.00 0.00 178.44 179.87 1u4a h GLU 76 N 0.07 1.08 -5.06 1.13 4.57 -1.15 -3.41 114.58 111.82 1u4a h GLU 76 Ca -0.17 -0.33 -0.64 0.00 -1.18 0.00 0.00 59.36 57.03 1u4a h GLU 76 Cb 1.99 -0.11 -0.22 0.00 -0.16 0.00 0.00 28.75 30.25 1u4a h GLU 76 CO 0.19 1.03 -0.64 -1.64 -1.18 0.00 0.00 179.01 176.77 1u4a s MET 77 N -5.08 3.66 -0.04 1.92 -1.94 -1.05 -4.95 119.30 111.83 1u4a s MET 77 Ca -0.12 -0.49 0.17 0.00 -1.71 0.00 0.00 55.69 53.55 1u4a s MET 77 Cb 0.14 -3.20 0.31 0.00 2.01 0.00 0.00 34.83 34.09 1u4a s MET 77 CO 0.85 -0.06 1.13 -0.85 -0.01 0.00 0.00 175.02 176.08 1u4a n GLU 78 N 4.50 0.21 0.02 2.03 -0.00 -1.26 -4.73 120.64 121.42 1u4a n GLU 78 Ca -0.17 -1.80 0.00 0.00 -0.00 0.00 0.00 57.16 55.20 1u4a n GLU 78 Cb 0.52 0.03 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 1u4a n GLU 78 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1u4a n ASP 79 N 0.17 -0.26 -3.63 -1.84 5.68 -1.26 -4.48 116.55 110.92 1u4a n ASP 79 Ca -0.05 0.09 -0.29 0.00 -0.50 0.00 0.00 54.79 54.04 1u4a n ASP 79 Cb 0.97 0.45 -0.15 0.00 -1.14 0.00 0.00 41.12 41.26 1u4a n ASP 79 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1u4a s GLU 80 N -2.00 0.46 -0.02 0.11 2.02 -1.26 -3.82 118.70 114.20 1u4a s GLU 80 Ca 0.00 -0.83 -0.00 0.00 0.02 0.00 0.00 54.97 54.15 1u4a s GLU 80 Cb 0.00 -1.56 0.02 0.00 0.10 0.00 0.00 34.13 32.69 1u4a s GLU 80 CO 0.00 -1.01 0.03 0.34 0.02 0.00 0.00 175.26 174.64 1u4a s ASP 81 N 1.81 0.03 -0.04 -0.19 -1.08 -1.17 -5.03 116.67 111.01 1u4a s ASP 81 Ca 0.10 0.05 0.05 0.00 -0.52 0.00 0.00 52.55 52.23 1u4a s ASP 81 Cb -0.17 -0.02 -0.01 0.00 -1.46 0.00 0.00 42.92 41.26 1u4a s ASP 81 CO -0.30 -0.09 -0.18 0.42 0.52 0.00 0.00 175.17 175.54 1u4a s THR 82 N 0.75 1.49 0.09 1.71 -4.23 -1.26 -1.71 115.64 112.48 1u4a s THR 82 Ca -0.06 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1u4a s THR 82 Cb -0.09 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 1u4a s THR 82 CO -0.02 0.43 -0.02 0.27 -0.54 0.00 0.00 174.62 174.73 1u4a s ILE 83 N -0.10 0.38 -0.15 2.99 -4.36 -0.98 -4.48 121.20 114.51 1u4a s ILE 83 Ca -0.01 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1u4a s ILE 83 Cb -0.11 -1.74 0.03 0.00 1.25 0.00 0.00 42.46 41.89 1u4a s ILE 83 CO 0.02 -0.79 -0.12 -0.62 0.24 0.00 0.00 174.94 173.66 1u4a s ASP 84 N -3.01 2.73 -0.21 4.36 -1.08 0.80 0.98 116.67 121.24 1u4a s ASP 84 Ca 0.14 -0.54 -0.27 0.00 -0.52 0.00 0.00 52.55 51.36 1u4a s ASP 84 Cb 0.07 -1.11 -0.00 0.00 -1.46 0.00 0.00 42.92 40.41 1u4a s ASP 84 CO -0.04 -0.09 0.92 0.54 0.52 0.00 0.00 175.17 177.01 1u4a s VAL 85 N 1.52 4.79 0.33 1.11 0.11 -0.09 -0.43 120.40 127.74 1u4a s VAL 85 Ca 0.04 1.78 0.08 0.00 -2.93 0.00 0.00 61.98 60.94 1u4a s VAL 85 Cb -0.14 -4.20 -0.03 0.00 -1.53 0.00 0.00 36.38 30.48 1u4a s VAL 85 CO -0.10 -0.08 0.24 -0.36 -3.33 0.00 0.00 175.10 171.48 1u4a s PHE 86 N 2.73 2.88 -0.08 1.54 0.40 0.92 -2.35 117.98 124.01 1u4a s PHE 86 Ca 0.40 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1u4a s PHE 86 Cb -0.16 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.69 1u4a s PHE 86 CO 0.09 0.27 -0.10 -0.65 0.70 0.00 0.00 175.22 175.52 1u4a s GLN 87 N -3.94 1.62 0.25 0.44 -0.21 -1.26 -2.95 119.66 113.62 1u4a s GLN 87 Ca 0.39 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.42 1u4a s GLN 87 Cb -0.05 -1.47 0.00 0.00 1.00 0.00 0.00 33.01 32.49 1u4a s GLN 87 CO 0.25 -0.09 0.00 1.04 -2.12 0.00 0.00 175.29 174.38 1u4a n GLN 88 N 4.24 -2.11 -3.57 2.91 6.02 -1.26 -4.86 117.38 118.75 1u4a n GLN 88 Ca -0.19 1.41 -0.29 0.00 -0.01 0.00 0.00 57.00 57.92 1u4a n GLN 88 Cb 0.51 -2.57 -0.15 0.00 1.02 0.00 0.00 30.24 29.05 1u4a n GLN 88 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1u4a s GLN 89 N -1.99 0.27 0.25 -1.09 0.74 -1.26 -5.00 119.66 111.58 1u4a s GLN 89 Ca 0.00 -0.62 -0.04 0.00 0.05 0.00 0.00 55.36 54.76 1u4a s GLN 89 Cb 0.00 -1.28 0.30 0.00 1.10 0.00 0.00 33.01 33.14 1u4a s GLN 89 CO 0.00 -1.02 1.79 1.15 -0.55 0.00 0.00 175.29 176.66 1u4a h THR 90 N 6.41 1.24 0.00 -0.34 2.02 -2.07 -3.44 112.91 116.73 1u4a h THR 90 Ca -0.19 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1u4a h THR 90 Cb 1.01 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1u4a h THR 90 CO 0.44 0.33 0.00 0.61 0.37 0.00 0.00 175.52 177.27 1u4a n GLY 91 N -0.80 -0.60 0.38 2.16 0.00 -1.26 -5.34 105.19 99.73 1u4a n GLY 91 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93