#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 5.83 0.30 6.41 1.01 -1.26 -5.12 116.67 123.84 1u4a s ASP 15 Ca 0.00 0.12 -0.04 0.00 0.71 0.00 0.00 52.55 53.33 1u4a s ASP 15 Cb 0.00 -1.67 -0.01 0.00 1.01 0.00 0.00 42.92 42.25 1u4a s ASP 15 CO 0.00 0.19 0.41 -1.00 0.21 0.00 0.00 175.17 174.99 1u4a s HIS 16 N -1.38 0.95 -0.19 4.23 3.76 -1.26 -4.74 115.29 116.66 1u4a s HIS 16 Ca 0.30 -1.19 -0.07 0.00 -0.15 0.00 0.00 55.06 53.94 1u4a s HIS 16 Cb -0.12 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 1u4a s HIS 16 CO 0.22 -1.01 0.05 0.96 -0.85 0.00 0.00 174.74 174.11 1u4a s ILE 17 N -3.48 4.60 -0.24 0.60 -4.36 0.77 -4.87 121.20 114.21 1u4a s ILE 17 Ca 0.31 -0.10 -0.27 0.00 -0.26 0.00 0.00 60.65 60.33 1u4a s ILE 17 Cb 0.01 -3.08 0.00 0.00 1.25 0.00 0.00 42.46 40.65 1u4a s ILE 17 CO 0.17 0.45 0.95 0.20 0.24 0.00 0.00 174.94 176.95 1u4a s ASN 18 N 0.53 6.97 -0.18 4.36 0.01 -0.52 -3.23 114.94 122.88 1u4a s ASN 18 Ca 0.02 1.20 0.01 0.00 -0.71 0.00 0.00 52.86 53.38 1u4a s ASN 18 Cb -0.13 -2.49 0.03 0.00 0.41 0.00 0.00 41.25 39.07 1u4a s ASN 18 CO 0.01 -0.62 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.10 1u4a s LEU 19 N 3.08 2.08 -0.77 0.60 1.43 -0.75 -2.34 118.68 122.01 1u4a s LEU 19 Ca 0.40 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 1u4a s LEU 19 Cb -0.15 -1.24 0.16 0.00 0.03 0.00 0.00 46.19 44.99 1u4a s LEU 19 CO 0.07 -0.10 0.80 -0.54 0.23 0.00 0.00 176.35 176.82 1u4a s LYS 20 N 1.41 3.41 -0.24 1.70 1.02 -0.74 -2.28 119.74 124.03 1u4a s LYS 20 Ca 0.01 -1.98 -0.15 0.00 0.02 0.00 0.00 55.97 53.87 1u4a s LYS 20 Cb -0.15 -4.49 -0.04 0.00 -0.52 0.00 0.00 37.83 32.64 1u4a s LYS 20 CO -0.09 -1.46 0.39 0.08 -0.92 0.00 0.00 175.35 173.35 1u4a s VAL 21 N 1.43 5.18 -0.22 3.17 1.01 -0.88 -1.26 120.40 128.83 1u4a s VAL 21 Ca 0.18 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 62.64 1u4a s VAL 21 Cb -0.14 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1u4a s VAL 21 CO -0.04 0.20 0.44 0.00 0.00 0.00 0.00 175.10 175.69 1u4a s ALA 22 N 1.74 3.56 0.33 5.51 0.00 -0.53 -3.08 121.76 129.29 1u4a s ALA 22 Ca 0.17 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.39 1u4a s ALA 22 Cb -0.15 -2.72 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 1u4a s ALA 22 CO 0.09 -0.45 0.81 0.20 0.00 0.00 0.00 175.76 176.40 1u4a s GLY 23 N 1.23 2.44 0.32 0.00 0.00 -0.53 -0.29 107.32 110.49 1u4a s GLY 23 Ca 0.20 0.20 0.03 0.00 0.00 0.00 0.00 44.72 45.15 1u4a s GLY 23 CO 0.09 0.47 1.92 -1.61 0.00 0.00 0.00 173.10 173.96 1u4a h GLN 24 N 2.45 0.88 0.00 2.90 4.15 -1.74 -0.80 115.11 122.95 1u4a h GLN 24 Ca -0.48 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 58.88 1u4a h GLN 24 Cb 1.18 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.67 1u4a h GLN 24 CO 0.64 0.58 -0.01 -0.44 -1.93 0.00 0.00 178.83 177.68 1u4a h ASP 25 N 0.91 0.00 0.00 -0.69 5.19 -1.93 -3.46 116.42 116.44 1u4a h ASP 25 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1u4a h ASP 25 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1u4a h ASP 25 CO -0.15 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.59 1u4a n GLY 26 N -1.44 1.80 3.60 2.75 0.00 -0.31 -5.13 105.19 106.47 1u4a n GLY 26 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1u4a n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u4a s SER 27 N -2.00 4.64 -0.25 1.61 0.01 -1.24 -4.95 113.70 111.52 1u4a s SER 27 Ca 0.00 -0.16 -0.04 0.00 1.31 0.00 0.00 55.95 57.06 1u4a s SER 27 Cb 0.00 -1.07 0.01 0.00 0.21 0.00 0.00 66.02 65.16 1u4a s SER 27 CO 0.00 0.27 -0.02 0.54 0.41 0.00 0.00 173.24 174.44 1u4a s VAL 28 N -1.03 3.37 -0.05 3.43 0.11 -1.26 -1.45 120.40 123.52 1u4a s VAL 28 Ca 0.18 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 1u4a s VAL 28 Cb -0.11 -2.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.10 1u4a s VAL 28 CO 0.08 0.26 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.28 1u4a s VAL 29 N 1.44 1.31 -0.31 2.04 1.01 -1.18 -5.05 120.40 119.66 1u4a s VAL 29 Ca 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1u4a s VAL 29 Cb -0.16 -1.15 0.07 0.00 0.00 0.00 0.00 36.38 35.15 1u4a s VAL 29 CO -0.02 0.39 -0.01 0.00 0.00 0.00 0.00 175.10 175.46 1u4a s GLN 30 N 0.30 2.09 0.20 2.72 -2.07 -1.26 -2.06 119.66 119.58 1u4a s GLN 30 Ca -0.09 -1.50 0.01 0.00 -1.82 0.00 0.00 55.36 51.96 1u4a s GLN 30 Cb -0.13 -3.12 -0.04 0.00 -1.09 0.00 0.00 33.01 28.63 1u4a s GLN 30 CO 0.03 -0.73 0.37 -0.06 -1.32 0.00 0.00 175.29 173.58 1u4a s PHE 31 N 1.10 3.48 -0.17 9.60 0.08 -0.97 -4.89 117.98 126.22 1u4a s PHE 31 Ca -0.01 0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.26 1u4a s PHE 31 Cb -0.20 -1.77 0.05 0.00 -0.57 0.00 0.00 43.02 40.53 1u4a s PHE 31 CO -0.05 0.41 -0.01 0.15 -0.10 0.00 0.00 175.22 175.62 1u4a s LYS 32 N -3.43 1.00 0.42 0.44 1.02 -1.26 -1.81 119.74 116.13 1u4a s LYS 32 Ca 0.37 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.95 1u4a s LYS 32 Cb -0.11 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.21 1u4a s LYS 32 CO 0.29 -0.52 0.12 0.96 -0.92 0.00 0.00 175.35 175.29 1u4a s ILE 33 N 1.75 0.61 0.37 2.17 -4.36 -1.20 -4.81 121.20 115.74 1u4a s ILE 33 Ca -0.00 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.16 1u4a s ILE 33 Cb -0.16 -2.31 -0.10 0.00 1.25 0.00 0.00 42.46 41.14 1u4a s ILE 33 CO -0.07 0.00 0.92 -1.59 0.24 0.00 0.00 174.94 174.44 1u4a s LYS 34 N -3.71 4.36 -0.84 0.37 -2.85 -1.26 -0.17 119.74 115.65 1u4a s LYS 34 Ca 0.22 1.17 -0.05 0.00 -1.00 0.00 0.00 55.97 56.30 1u4a s LYS 34 Cb 0.02 -2.49 0.05 0.00 -2.06 0.00 0.00 37.83 33.35 1u4a s LYS 34 CO 0.14 0.13 2.69 -2.13 0.10 0.00 0.00 175.35 176.28 1u4a n ARG 35 N -0.05 3.36 -1.88 1.78 0.63 -1.26 -4.03 116.66 115.20 1u4a n ARG 35 Ca 0.04 -2.69 -0.04 0.00 -0.92 0.00 0.00 57.85 54.24 1u4a n ARG 35 Cb 0.52 -2.37 0.04 0.00 0.45 0.00 0.00 32.46 31.10 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 1.51 -1.08 -3.69 -0.14 8.25 -1.26 -4.92 115.22 113.88 1u4a n HIS 36 Ca 0.56 -1.15 -0.14 0.00 -0.26 0.00 0.00 57.72 56.73 1u4a n HIS 36 Cb 0.44 1.05 -0.08 0.00 1.12 0.00 0.00 29.99 32.52 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 0.05 0.02 0.89 1.59 -4.23 -1.26 -5.17 115.64 107.54 1u4a s THR 37 Ca 0.05 -0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 1u4a s THR 37 Cb 0.24 -0.72 0.07 0.00 1.34 0.00 0.00 72.50 73.43 1u4a s THR 37 CO -0.07 -0.08 0.80 -2.65 -0.54 0.00 0.00 174.62 172.08 1u4a n PRO 38 N 1.95 -0.21 0.27 3.99 -0.02 -1.26 -4.86 135.00 134.85 1u4a n PRO 38 Ca -0.17 -0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.48 1u4a n PRO 38 Cb 0.56 -2.13 0.93 0.00 -0.02 0.00 0.00 33.50 32.84 1u4a n PRO 38 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1u4a h LEU 39 N -1.45 0.00 -1.50 2.45 3.38 -1.27 -2.34 115.31 114.59 1u4a h LEU 39 Ca -0.44 0.00 0.31 0.00 0.09 0.00 0.00 57.88 57.84 1u4a h LEU 39 Cb 1.29 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.95 1u4a h LEU 39 CO 0.39 0.00 0.74 -1.28 0.09 0.00 0.00 178.44 178.38 1u4a h SER 40 N 0.00 0.32 0.77 -0.43 0.87 -1.74 0.53 113.55 113.87 1u4a h SER 40 Ca 0.04 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1u4a h SER 40 Cb 0.32 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1u4a h SER 40 CO -0.00 0.03 -0.37 0.11 -0.53 0.00 0.00 176.83 176.07 1u4a h LYS 41 N 0.27 -1.00 -0.21 2.24 1.79 -1.74 -0.23 116.57 117.69 1u4a h LYS 41 Ca 0.62 0.07 -0.16 0.00 -2.18 0.00 0.00 60.65 59.00 1u4a h LYS 41 Cb 1.82 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 32.70 1u4a h LYS 41 CO -0.25 -0.67 -0.54 1.25 -1.08 0.00 0.00 179.45 178.16 1u4a h LEU 42 N -1.04 0.68 -0.10 2.94 6.46 -1.45 -2.76 115.31 120.03 1u4a h LEU 42 Ca -0.11 -0.36 0.02 0.00 -0.12 0.00 0.00 57.88 57.31 1u4a h LEU 42 Cb 0.80 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 1u4a h LEU 42 CO 0.17 1.08 -0.01 -0.03 -0.62 0.00 0.00 178.44 179.04 1u4a h MET 43 N 0.47 0.03 -0.13 1.25 4.05 0.05 0.44 114.93 121.09 1u4a h MET 43 Ca 0.01 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1u4a h MET 43 Cb 1.09 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.88 1u4a h MET 43 CO 0.10 0.02 0.06 0.87 0.23 0.00 0.00 176.91 178.19 1u4a h LYS 44 N 0.03 0.19 -0.94 0.39 1.57 -1.07 0.17 116.57 116.91 1u4a h LYS 44 Ca 0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1u4a h LYS 44 Cb 0.06 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1u4a h LYS 44 CO -0.09 0.26 0.56 0.00 -0.57 0.00 0.00 179.45 179.61 1u4a h ALA 45 N 0.92 1.20 -0.17 3.86 0.00 -1.29 0.30 119.26 124.09 1u4a h ALA 45 Ca 0.04 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1u4a h ALA 45 Cb 0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1u4a h ALA 45 CO -0.01 0.66 -0.17 -0.92 0.00 0.00 0.00 179.25 178.82 1u4a h TYR 46 N 1.30 0.50 -0.12 0.00 5.03 0.08 -2.00 116.97 121.75 1u4a h TYR 46 Ca 0.34 -0.15 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 1u4a h TYR 46 Cb -0.04 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.13 1u4a h TYR 46 CO 0.01 0.79 -0.06 1.03 -1.32 0.00 0.00 178.16 178.61 1u4a h SER 47 N 0.06 0.26 -0.94 -2.11 0.87 -0.48 -1.93 113.55 109.27 1u4a h SER 47 Ca 0.03 -0.41 0.02 0.00 -1.23 0.00 0.00 61.79 60.19 1u4a h SER 47 Cb 0.71 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1u4a h SER 47 CO 0.04 0.61 0.62 -0.33 -0.53 0.00 0.00 176.83 177.25 1u4a h GLU 48 N -0.10 1.22 -0.55 2.24 5.08 -0.48 0.31 114.58 122.29 1u4a h GLU 48 Ca 0.03 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1u4a h GLU 48 Cb 0.52 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1u4a h GLU 48 CO 0.02 0.81 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.68 1u4a h ARG 49 N 1.26 1.01 0.18 2.33 9.65 -1.34 -3.33 114.38 124.14 1u4a h ARG 49 Ca 0.35 -0.34 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1u4a h ARG 49 Cb -0.11 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 1u4a h ARG 49 CO -0.09 1.03 -0.09 0.37 2.80 0.00 0.00 179.97 183.99 1u4a h GLN 50 N 0.91 -0.24 0.00 0.20 4.15 -0.81 -3.49 115.11 115.83 1u4a h GLN 50 Ca 0.15 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1u4a h GLN 50 Cb 0.62 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1u4a h GLN 50 CO 0.04 -0.16 0.00 0.41 -1.93 0.00 0.00 178.83 177.19 1u4a n GLY 51 N 0.46 0.27 0.00 2.39 0.00 0.05 -5.10 105.19 103.25 1u4a n GLY 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -4.41 0.99 4.77 -1.13 -5.08 117.00 112.15 1u4a n LEU 52 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1u4a n LEU 52 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1u4a n LEU 52 CO 0.00 0.00 -0.34 -0.44 -1.33 0.00 0.00 177.39 175.28 1u4a s SER 53 N 0.98 2.46 -0.29 -1.43 0.01 -1.26 -4.84 113.70 109.33 1u4a s SER 53 Ca 0.00 -1.23 0.06 0.00 1.31 0.00 0.00 55.95 56.09 1u4a s SER 53 Cb 0.00 -0.11 0.58 0.00 0.21 0.00 0.00 66.02 66.70 1u4a s SER 53 CO 0.00 -0.44 1.64 0.23 0.41 0.00 0.00 173.24 175.08 1u4a n MET 54 N -0.56 2.85 0.00 12.44 0.00 -1.26 -3.97 117.12 126.62 1u4a n MET 54 Ca -0.05 -2.44 0.00 0.00 0.00 0.00 0.00 57.70 55.21 1u4a n MET 54 Cb 0.64 -2.01 0.00 0.00 0.00 0.00 0.00 33.22 31.85 1u4a n MET 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1u4a n ARG 55 N -0.28 0.77 -2.82 0.03 1.74 -1.26 -4.93 116.66 109.90 1u4a n ARG 55 Ca 0.37 -0.75 -0.07 0.00 -0.77 0.00 0.00 57.85 56.63 1u4a n ARG 55 Cb 1.27 -0.63 0.01 0.00 -1.02 0.00 0.00 32.46 32.08 1u4a n ARG 55 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1u4a n GLN 56 N -0.13 0.57 -3.90 5.56 3.00 -1.25 -5.15 117.38 116.07 1u4a n GLN 56 Ca 0.00 -2.09 -0.10 0.00 -0.01 0.00 0.00 57.00 54.80 1u4a n GLN 56 Cb 0.43 -1.48 -0.09 0.00 0.00 0.00 0.00 30.24 29.10 1u4a n GLN 56 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1u4a s ILE 57 N 0.72 0.13 -0.13 5.09 -1.09 -1.26 -4.72 121.20 119.93 1u4a s ILE 57 Ca 0.31 -1.06 -0.04 0.00 -2.23 0.00 0.00 60.65 57.63 1u4a s ILE 57 Cb 0.06 -0.94 0.07 0.00 -1.58 0.00 0.00 42.46 40.07 1u4a s ILE 57 CO -0.11 -0.58 0.20 -0.60 -1.23 0.00 0.00 174.94 172.63 1u4a s ARG 58 N -2.69 0.11 -0.53 2.79 3.52 -0.63 -4.75 118.95 116.77 1u4a s ARG 58 Ca -0.04 0.49 -0.17 0.00 -0.13 0.00 0.00 55.73 55.88 1u4a s ARG 58 Cb -0.01 -0.53 0.11 0.00 -1.56 0.00 0.00 34.95 32.96 1u4a s ARG 58 CO -0.05 -0.42 0.52 -0.06 -0.81 0.00 0.00 175.30 174.49 1u4a s PHE 59 N 2.33 3.18 0.21 5.12 0.40 -1.13 -0.71 117.98 127.39 1u4a s PHE 59 Ca 0.04 -1.08 -0.21 0.00 -0.60 0.00 0.00 56.93 55.07 1u4a s PHE 59 Cb -0.13 -3.67 -0.08 0.00 0.51 0.00 0.00 43.02 39.64 1u4a s PHE 59 CO -0.08 -1.02 0.74 1.03 0.70 0.00 0.00 175.22 176.58 1u4a s ARG 60 N 1.90 4.34 -0.40 0.44 0.52 0.25 -2.31 118.95 123.68 1u4a s ARG 60 Ca 0.06 0.95 0.02 0.00 -0.52 0.00 0.00 55.73 56.24 1u4a s ARG 60 Cb -0.27 -2.98 0.15 0.00 0.52 0.00 0.00 34.95 32.37 1u4a s ARG 60 CO 0.05 0.44 0.27 0.12 0.02 0.00 0.00 175.30 176.20 1u4a s PHE 61 N -1.42 1.19 -1.45 -0.53 5.36 -0.98 -0.54 117.98 119.60 1u4a s PHE 61 Ca 0.41 -2.07 -0.12 0.00 -0.96 0.00 0.00 56.93 54.19 1u4a s PHE 61 Cb -0.18 -1.17 0.08 0.00 -0.34 0.00 0.00 43.02 41.41 1u4a s PHE 61 CO 0.22 -0.81 0.72 -0.25 -1.46 0.00 0.00 175.22 173.64 1u4a n ASP 62 N 3.47 -4.36 0.00 6.13 8.00 -1.26 -1.17 116.55 127.35 1u4a n ASP 62 Ca 0.18 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 55.09 1u4a n ASP 62 Cb 0.40 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 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 -1.43 0.83 3.07 0.44 0.00 -1.26 -5.06 105.19 101.78 1u4a n GLY 63 Ca 0.01 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1u4a n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u4a s GLN 64 N -0.59 1.87 -0.40 1.61 -1.52 -0.32 -5.07 119.66 115.23 1u4a s GLN 64 Ca 0.00 -1.96 -0.28 0.00 -1.95 0.00 0.00 55.36 51.17 1u4a s GLN 64 Cb 0.00 -3.45 -0.02 0.00 -0.22 0.00 0.00 33.01 29.32 1u4a s GLN 64 CO 0.00 -1.04 1.81 -1.25 -0.25 0.00 0.00 175.29 174.56 1u4a s PRO 65 N 0.85 3.15 0.05 2.91 0.04 -1.26 -2.33 135.00 138.41 1u4a s PRO 65 Ca 0.11 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.45 1u4a s PRO 65 Cb -0.21 -4.24 -0.03 0.00 0.04 0.00 0.00 34.50 30.06 1u4a s PRO 65 CO -0.05 -2.08 -0.23 0.96 0.04 0.00 0.00 177.00 175.64 1u4a s ILE 66 N 7.47 1.85 0.83 0.56 -4.36 -0.98 -5.05 121.20 121.53 1u4a s ILE 66 Ca 0.76 -1.28 -0.07 0.00 -0.26 0.00 0.00 60.65 59.80 1u4a s ILE 66 Cb -0.20 -1.60 0.16 0.00 1.25 0.00 0.00 42.46 42.07 1u4a s ILE 66 CO 0.30 0.26 1.14 0.21 0.24 0.00 0.00 174.94 177.09 1u4a s ASN 67 N -1.22 3.79 0.00 4.36 3.04 -1.26 -2.83 114.94 120.82 1u4a s ASN 67 Ca 0.09 -0.12 0.00 0.00 0.04 0.00 0.00 52.86 52.87 1u4a s ASN 67 Cb -0.09 -0.10 0.00 0.00 -1.54 0.00 0.00 41.25 39.52 1u4a s ASN 67 CO 0.02 -2.26 1.61 -1.84 -3.04 0.00 0.00 177.10 171.59 1u4a n GLU 68 N -3.24 0.98 -0.32 0.43 0.00 -1.26 -3.29 120.64 113.94 1u4a n GLU 68 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.33 1u4a n GLU 68 Cb 0.60 -1.01 0.02 0.00 0.00 0.00 0.00 31.44 31.05 1u4a n GLU 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1u4a n THR 69 N 1.16 0.27 -1.07 3.84 -2.24 -1.26 -2.37 114.28 112.61 1u4a n THR 69 Ca 0.00 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1u4a n THR 69 Cb 0.49 0.52 0.14 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.01 3.47 0.21 3.42 -1.08 -1.21 -4.69 116.67 115.79 1u4a s ASP 70 Ca 0.04 1.73 0.00 0.00 -0.52 0.00 0.00 52.55 53.80 1u4a s ASP 70 Cb 0.03 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 1u4a s ASP 70 CO 0.00 -2.68 0.00 0.35 0.52 0.00 0.00 175.17 173.37 1u4a n THR 71 N -3.93 0.00 -0.10 1.71 -2.24 -1.26 -0.91 114.28 107.55 1u4a n THR 71 Ca 0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1u4a n THR 71 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1u4a n THR 71 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1u4a h PRO 72 N 0.00 -0.15 -0.79 -0.78 0.11 -1.99 -0.94 132.00 127.46 1u4a h PRO 72 Ca 0.00 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 1u4a h PRO 72 Cb 0.00 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 1u4a h PRO 72 CO 0.00 -0.10 0.32 0.00 -0.21 0.00 0.00 178.00 178.00 1u4a h ALA 73 N 1.04 1.03 -0.46 -0.75 0.00 -2.00 -1.97 119.26 116.15 1u4a h ALA 73 Ca 0.18 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1u4a h ALA 73 Cb 0.44 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1u4a h ALA 73 CO -0.46 0.65 0.31 0.37 0.00 0.00 0.00 179.25 180.13 1u4a h GLN 74 N 1.15 0.50 0.01 0.00 -0.00 -1.69 -1.57 115.11 113.50 1u4a h GLN 74 Ca 0.26 -0.03 -0.22 0.00 -0.00 0.00 0.00 58.65 58.67 1u4a h GLN 74 Cb 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.58 1u4a h GLN 74 CO -0.02 0.33 -0.94 1.25 0.00 0.00 0.00 178.83 179.45 1u4a h LEU 75 N 0.51 0.42 -1.37 -2.39 6.46 -0.66 -3.21 115.31 115.07 1u4a h LEU 75 Ca 0.19 -0.34 0.06 0.00 -0.12 0.00 0.00 57.88 57.66 1u4a h LEU 75 Cb 0.11 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.87 1u4a h LEU 75 CO -0.05 1.15 0.47 -0.33 -0.62 0.00 0.00 178.44 179.07 1u4a h GLU 76 N 0.17 0.75 -7.42 1.25 4.39 -0.56 -3.43 114.58 109.74 1u4a h GLU 76 Ca -0.07 -0.05 -0.41 0.00 0.34 0.00 0.00 59.36 59.18 1u4a h GLU 76 Cb 1.57 -0.17 0.20 0.00 -0.10 0.00 0.00 28.75 30.25 1u4a h GLU 76 CO 0.15 0.50 0.13 -1.64 -1.16 0.00 0.00 179.01 177.00 1u4a s MET 77 N -5.69 -1.45 0.18 2.33 -1.94 -1.06 -5.05 119.30 106.62 1u4a s MET 77 Ca -0.10 -0.18 0.00 0.00 -1.71 0.00 0.00 55.69 53.70 1u4a s MET 77 Cb 0.19 -1.58 0.00 0.00 2.01 0.00 0.00 34.83 35.45 1u4a s MET 77 CO 0.77 -3.84 0.00 -0.85 -0.01 0.00 0.00 175.02 171.09 1u4a n GLU 78 N -4.83 0.00 0.06 2.03 0.28 -1.26 -5.04 120.64 111.87 1u4a n GLU 78 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1u4a n GLU 78 Cb 0.60 -0.20 0.00 0.00 1.43 0.00 0.00 31.44 33.27 1u4a n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1u4a n ASP 79 N -3.35 -0.45 -4.66 -1.84 8.00 -1.26 -4.75 116.55 108.24 1u4a n ASP 79 Ca 0.00 0.20 -0.43 0.00 0.71 0.00 0.00 54.79 55.27 1u4a n ASP 79 Cb 0.04 0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1u4a n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1u4a s GLU 80 N -1.31 4.23 -0.06 -1.24 2.02 -1.26 -1.44 118.70 119.64 1u4a s GLU 80 Ca 0.00 1.60 -0.09 0.00 0.02 0.00 0.00 54.97 56.50 1u4a s GLU 80 Cb 0.00 -3.75 0.02 0.00 0.10 0.00 0.00 34.13 30.50 1u4a s GLU 80 CO 0.00 -0.71 0.23 0.34 0.02 0.00 0.00 175.26 175.14 1u4a s ASP 81 N 1.88 -0.19 -0.12 -0.19 2.15 -0.99 -5.03 116.67 114.19 1u4a s ASP 81 Ca 0.53 0.30 -0.00 0.00 0.43 0.00 0.00 52.55 53.81 1u4a s ASP 81 Cb -0.20 0.41 -0.02 0.00 -0.30 0.00 0.00 42.92 42.81 1u4a s ASP 81 CO 0.13 -0.19 -0.11 -0.89 -0.17 0.00 0.00 175.17 173.94 1u4a s THR 82 N -0.36 3.24 0.19 1.71 2.01 -1.26 -1.79 115.64 119.38 1u4a s THR 82 Ca -0.05 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 1u4a s THR 82 Cb -0.03 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1u4a s THR 82 CO 0.01 0.53 0.08 -0.63 -0.69 0.00 0.00 174.62 173.93 1u4a s ILE 83 N 0.12 0.24 -0.18 1.82 1.09 -0.39 -4.73 121.20 119.17 1u4a s ILE 83 Ca -0.05 -1.97 -0.04 0.00 -1.10 0.00 0.00 60.65 57.48 1u4a s ILE 83 Cb -0.15 -2.34 0.07 0.00 -1.06 0.00 0.00 42.46 38.99 1u4a s ILE 83 CO 0.04 -0.21 0.15 -1.81 -0.10 0.00 0.00 174.94 173.02 1u4a s ASP 84 N -3.16 1.83 -0.37 3.58 1.11 0.30 -1.45 116.67 118.52 1u4a s ASP 84 Ca 0.32 -0.39 -0.19 0.00 0.18 0.00 0.00 52.55 52.46 1u4a s ASP 84 Cb 0.07 0.06 0.00 0.00 1.07 0.00 0.00 42.92 44.13 1u4a s ASP 84 CO 0.08 -0.33 0.58 0.54 1.18 0.00 0.00 175.17 177.21 1u4a s VAL 85 N 2.23 4.94 0.30 -1.27 0.11 0.60 0.84 120.40 128.15 1u4a s VAL 85 Ca 0.04 0.37 0.03 0.00 -2.93 0.00 0.00 61.98 59.49 1u4a s VAL 85 Cb -0.16 -4.05 -0.06 0.00 -1.53 0.00 0.00 36.38 30.59 1u4a s VAL 85 CO -0.10 -0.32 0.08 -0.36 -3.33 0.00 0.00 175.10 171.07 1u4a s PHE 86 N 2.57 1.79 0.35 1.54 0.08 0.11 -1.99 117.98 122.42 1u4a s PHE 86 Ca 0.21 -1.07 -0.14 0.00 0.12 0.00 0.00 56.93 56.06 1u4a s PHE 86 Cb -0.15 -1.12 -0.08 0.00 -0.57 0.00 0.00 43.02 41.10 1u4a s PHE 86 CO 0.15 -0.15 0.75 -0.65 -0.10 0.00 0.00 175.22 175.21 1u4a s GLN 87 N -3.94 3.93 0.00 0.44 -0.21 -1.26 -1.60 119.66 117.02 1u4a s GLN 87 Ca 0.36 0.61 0.00 0.00 0.02 0.00 0.00 55.36 56.35 1u4a s GLN 87 Cb 0.08 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.67 1u4a s GLN 87 CO 0.15 0.09 0.75 1.04 -2.12 0.00 0.00 175.29 175.20 1u4a n GLN 88 N -0.67 0.00 -0.02 2.91 3.00 -1.26 -4.71 117.38 116.64 1u4a n GLN 88 Ca 0.03 0.29 -0.02 0.00 -0.01 0.00 0.00 57.00 57.29 1u4a n GLN 88 Cb 0.53 -1.27 -0.02 0.00 0.00 0.00 0.00 30.24 29.48 1u4a n GLN 88 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1u4a n GLN 89 N -1.38 2.34 -3.36 -1.09 7.27 -1.26 -5.09 117.38 114.82 1u4a n GLN 89 Ca 0.00 0.01 -0.27 0.00 0.07 0.00 0.00 57.00 56.80 1u4a n GLN 89 Cb 0.00 -1.08 0.03 0.00 2.41 0.00 0.00 30.24 31.60 1u4a n GLN 89 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1u4a n THR 90 N -2.29 -4.55 0.00 1.69 5.66 -1.26 -4.65 114.28 108.88 1u4a n THR 90 Ca -0.06 0.30 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 1u4a n THR 90 Cb 0.59 -3.94 0.00 0.00 -1.55 0.00 0.00 70.33 65.44 1u4a n THR 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1u4a n GLY 91 N 0.12 0.99 0.68 1.09 0.00 -1.26 -5.17 105.19 101.64 1u4a n GLY 91 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93