#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 -0.33 -0.18 6.41 1.01 -1.26 -5.15 116.67 117.17 1u4a s ASP 15 Ca 0.00 0.48 0.01 0.00 0.71 0.00 0.00 52.55 53.74 1u4a s ASP 15 Cb 0.00 0.57 0.03 0.00 1.01 0.00 0.00 42.92 44.53 1u4a s ASP 15 CO 0.00 -0.31 -0.12 -1.00 0.21 0.00 0.00 175.17 173.95 1u4a s HIS 16 N -0.58 2.30 -0.31 4.23 3.76 -1.26 -4.15 115.29 119.28 1u4a s HIS 16 Ca -0.07 -1.43 -0.24 0.00 -0.15 0.00 0.00 55.06 53.17 1u4a s HIS 16 Cb -0.04 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.04 1u4a s HIS 16 CO 0.03 -0.71 0.80 0.96 -0.85 0.00 0.00 174.74 174.96 1u4a s ILE 17 N 1.44 4.78 -0.85 0.60 -4.36 0.38 -4.82 121.20 118.37 1u4a s ILE 17 Ca 0.01 1.18 -0.19 0.00 -0.26 0.00 0.00 60.65 61.39 1u4a s ILE 17 Cb -0.15 -4.16 0.12 0.00 1.25 0.00 0.00 42.46 39.53 1u4a s ILE 17 CO -0.09 -0.27 1.05 0.54 0.24 0.00 0.00 174.94 176.42 1u4a s ASN 18 N 1.63 6.52 -0.18 4.36 4.22 0.04 -2.45 114.94 129.08 1u4a s ASN 18 Ca 0.33 -1.83 -0.17 0.00 -2.14 0.00 0.00 52.86 49.05 1u4a s ASN 18 Cb -0.14 -2.39 -0.04 0.00 1.28 0.00 0.00 41.25 39.96 1u4a s ASN 18 CO 0.13 -1.12 0.44 -0.76 -2.04 0.00 0.00 177.10 173.75 1u4a s LEU 19 N 2.84 4.19 -0.07 3.54 1.02 -0.01 -3.41 118.68 126.79 1u4a s LEU 19 Ca 0.29 0.63 -0.26 0.00 0.02 0.00 0.00 54.13 54.81 1u4a s LEU 19 Cb -0.09 -2.59 -0.03 0.00 0.02 0.00 0.00 46.19 43.50 1u4a s LEU 19 CO -0.05 -0.06 0.81 -0.54 0.02 0.00 0.00 176.35 176.53 1u4a s LYS 20 N 1.13 4.44 -0.29 1.70 -0.14 0.73 -2.54 119.74 124.77 1u4a s LYS 20 Ca 0.22 1.07 -0.06 0.00 -1.36 0.00 0.00 55.97 55.84 1u4a s LYS 20 Cb -0.15 -3.48 0.02 0.00 -1.68 0.00 0.00 37.83 32.54 1u4a s LYS 20 CO 0.09 -0.06 0.05 0.08 -0.76 0.00 0.00 175.35 174.74 1u4a s VAL 21 N 1.19 3.71 -0.26 3.17 1.01 0.10 0.61 120.40 129.92 1u4a s VAL 21 Ca 0.42 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1u4a s VAL 21 Cb -0.18 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1u4a s VAL 21 CO 0.19 0.08 0.13 0.00 0.00 0.00 0.00 175.10 175.50 1u4a s ALA 22 N 1.45 3.36 0.32 5.51 0.00 -0.13 -1.32 121.76 130.95 1u4a s ALA 22 Ca 0.02 -1.08 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 1u4a s ALA 22 Cb -0.17 -2.26 -0.10 0.00 0.00 0.00 0.00 23.12 20.59 1u4a s ALA 22 CO 0.01 -0.46 0.93 0.20 0.00 0.00 0.00 175.76 176.44 1u4a s GLY 23 N 1.58 2.77 0.45 0.00 0.00 0.12 -0.42 107.32 111.82 1u4a s GLY 23 Ca 0.06 0.50 0.17 0.00 0.00 0.00 0.00 44.72 45.45 1u4a s GLY 23 CO 0.07 0.92 1.95 0.06 0.00 0.00 0.00 173.10 176.11 1u4a h GLN 24 N 3.11 0.31 0.00 2.90 -0.00 -1.75 0.91 115.11 120.60 1u4a h GLN 24 Ca -0.47 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.10 1u4a h GLN 24 Cb 1.19 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 28.59 1u4a h GLN 24 CO 0.65 0.20 -0.29 0.22 -0.00 0.00 0.00 178.83 179.61 1u4a h ASP 25 N 0.32 0.00 0.00 0.06 1.82 -1.92 -3.46 116.42 113.23 1u4a h ASP 25 Ca 0.32 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1u4a h ASP 25 Cb 0.80 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.81 1u4a h ASP 25 CO -0.08 0.29 0.00 0.61 -1.61 0.00 0.00 179.24 178.45 1u4a n GLY 26 N -0.05 0.64 3.75 -0.78 0.00 0.31 -5.13 105.19 103.93 1u4a n GLY 26 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1u4a n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u4a s SER 27 N -0.62 4.80 -0.19 1.61 1.04 -1.24 -4.76 113.70 114.34 1u4a s SER 27 Ca 0.00 2.16 -0.05 0.00 0.48 0.00 0.00 55.95 58.54 1u4a s SER 27 Cb 0.00 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 63.62 1u4a s SER 27 CO 0.00 -1.85 0.12 -0.69 0.98 0.00 0.00 173.24 171.81 1u4a s VAL 28 N -2.15 -0.14 0.07 5.02 1.01 -1.26 0.14 120.40 123.09 1u4a s VAL 28 Ca 0.70 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.54 1u4a s VAL 28 Cb -0.24 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1u4a s VAL 28 CO 0.42 -0.33 -0.24 -0.69 0.00 0.00 0.00 175.10 174.26 1u4a s VAL 29 N 2.18 1.94 0.05 2.92 1.01 -0.44 -5.00 120.40 123.06 1u4a s VAL 29 Ca 0.04 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.63 1u4a s VAL 29 Cb -0.16 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1u4a s VAL 29 CO -0.14 0.21 0.10 -1.10 0.00 0.00 0.00 175.10 174.18 1u4a s GLN 30 N -1.43 3.02 0.00 2.72 -0.21 -1.26 -0.73 119.66 121.77 1u4a s GLN 30 Ca 0.10 -0.59 -0.13 0.00 0.02 0.00 0.00 55.36 54.76 1u4a s GLN 30 Cb -0.10 -2.81 0.02 0.00 1.00 0.00 0.00 33.01 31.12 1u4a s GLN 30 CO 0.03 0.60 0.27 -0.06 -2.12 0.00 0.00 175.29 174.01 1u4a s PHE 31 N -1.35 -0.12 -0.02 0.91 0.08 -1.05 -4.97 117.98 111.46 1u4a s PHE 31 Ca 0.28 0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.46 1u4a s PHE 31 Cb -0.12 0.06 0.01 0.00 -0.57 0.00 0.00 43.02 42.40 1u4a s PHE 31 CO 0.21 -0.39 -0.04 -1.59 -0.10 0.00 0.00 175.22 173.30 1u4a s LYS 32 N -1.61 0.50 0.33 0.44 -2.85 -1.26 -0.83 119.74 114.46 1u4a s LYS 32 Ca -0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.75 1u4a s LYS 32 Cb -0.05 -0.54 -0.01 0.00 -2.06 0.00 0.00 37.83 35.17 1u4a s LYS 32 CO 0.02 0.00 0.40 0.96 0.10 0.00 0.00 175.35 176.83 1u4a s ILE 33 N 0.43 0.00 0.16 3.79 -4.36 -1.03 -4.91 121.20 115.29 1u4a s ILE 33 Ca -0.05 -1.73 -0.25 0.00 -0.26 0.00 0.00 60.65 58.35 1u4a s ILE 33 Cb -0.08 -2.58 -0.08 0.00 1.25 0.00 0.00 42.46 40.96 1u4a s ILE 33 CO -0.00 0.00 0.78 -1.59 0.24 0.00 0.00 174.94 174.37 1u4a s LYS 34 N -3.24 4.57 -0.79 0.37 -2.85 -1.26 -0.47 119.74 116.07 1u4a s LYS 34 Ca 0.34 1.16 -0.07 0.00 -1.00 0.00 0.00 55.97 56.40 1u4a s LYS 34 Cb 0.01 -3.27 -0.12 0.00 -2.06 0.00 0.00 37.83 32.39 1u4a s LYS 34 CO 0.22 0.56 3.15 2.89 0.10 0.00 0.00 175.35 182.27 1u4a n ARG 35 N 1.65 2.96 -1.50 1.78 1.85 -1.26 -3.78 116.66 118.36 1u4a n ARG 35 Ca -0.05 -1.87 -0.05 0.00 -1.00 0.00 0.00 57.85 54.88 1u4a n ARG 35 Cb 0.49 -2.38 -0.01 0.00 -1.05 0.00 0.00 32.46 29.51 1u4a n ARG 35 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1u4a n HIS 36 N 2.62 -0.55 -3.69 2.89 -0.00 -1.26 -4.73 115.22 110.49 1u4a n HIS 36 Ca 0.59 -0.86 -0.11 0.00 0.46 0.00 0.00 57.72 57.80 1u4a n HIS 36 Cb 0.55 0.76 -0.06 0.00 -0.12 0.00 0.00 29.99 31.12 1u4a n HIS 36 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1u4a s THR 37 N -0.02 0.08 1.03 3.57 -4.23 -1.25 -5.10 115.64 109.72 1u4a s THR 37 Ca 0.04 -0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 59.80 1u4a s THR 37 Cb 0.14 -1.07 0.18 0.00 1.34 0.00 0.00 72.50 73.10 1u4a s THR 37 CO -0.04 -0.35 0.91 -2.65 -0.54 0.00 0.00 174.62 171.95 1u4a n PRO 38 N 0.20 -1.25 0.30 3.99 -0.02 -1.26 -4.73 135.00 132.22 1u4a n PRO 38 Ca -0.17 -0.32 0.17 0.00 -2.02 0.00 0.00 63.50 61.15 1u4a n PRO 38 Cb 0.61 -2.18 0.92 0.00 -0.02 0.00 0.00 33.50 32.83 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 -2.16 0.00 -1.79 2.45 3.38 -1.42 -2.55 115.31 113.21 1u4a h LEU 39 Ca -0.51 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.66 1u4a h LEU 39 Cb 1.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1u4a h LEU 39 CO 0.43 0.04 0.53 0.28 0.09 0.00 0.00 178.44 179.81 1u4a h SER 40 N 0.00 0.18 0.12 -0.43 0.02 -0.62 0.98 113.55 113.80 1u4a h SER 40 Ca -0.00 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1u4a h SER 40 Cb 0.15 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1u4a h SER 40 CO 0.01 0.08 -0.19 0.11 -1.14 0.00 0.00 176.83 175.70 1u4a h LYS 41 N 0.19 -0.36 -0.03 3.45 1.79 -1.75 0.41 116.57 120.27 1u4a h LYS 41 Ca 0.38 0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.66 1u4a h LYS 41 Cb 1.21 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1u4a h LYS 41 CO -0.07 -0.24 -0.88 1.25 -1.08 0.00 0.00 179.45 178.43 1u4a h LEU 42 N -0.37 0.54 0.18 2.94 6.46 -1.54 -2.84 115.31 120.67 1u4a h LEU 42 Ca 0.02 -0.41 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 1u4a h LEU 42 Cb 0.38 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1u4a h LEU 42 CO -0.10 1.19 -0.09 0.24 -0.62 0.00 0.00 178.44 179.07 1u4a h MET 43 N 0.26 -0.23 0.29 1.25 2.86 -0.62 -0.84 114.93 117.88 1u4a h MET 43 Ca -0.07 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1u4a h MET 43 Cb 1.50 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.22 1u4a h MET 43 CO 0.15 -0.05 -0.14 0.87 1.06 0.00 0.00 176.91 178.80 1u4a h LYS 44 N -0.36 -0.37 -0.74 1.72 1.57 -0.28 -0.35 116.57 117.75 1u4a h LYS 44 Ca -0.02 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1u4a h LYS 44 Cb 0.28 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1u4a h LYS 44 CO 0.04 -0.23 0.49 0.00 -0.57 0.00 0.00 179.45 179.18 1u4a h ALA 45 N 0.32 2.05 0.20 3.86 0.00 -1.51 0.15 119.26 124.33 1u4a h ALA 45 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1u4a h ALA 45 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u4a h ALA 45 CO 0.06 -0.24 -0.10 -0.92 0.00 0.00 0.00 179.25 178.05 1u4a h TYR 46 N 0.46 -0.25 -0.75 0.00 3.20 -0.69 -0.55 116.97 118.39 1u4a h TYR 46 Ca 0.36 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.26 1u4a h TYR 46 Cb 0.76 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 1u4a h TYR 46 CO -0.00 0.16 0.49 1.03 -1.64 0.00 0.00 178.16 178.20 1u4a h SER 47 N -0.84 0.79 -0.01 -2.11 0.87 -0.62 -0.11 113.55 111.52 1u4a h SER 47 Ca -0.03 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1u4a h SER 47 Cb 0.52 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1u4a h SER 47 CO 0.04 0.54 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.54 1u4a h GLU 48 N 0.91 0.02 -0.05 2.24 5.08 -0.77 -0.85 114.58 121.16 1u4a h GLU 48 Ca 0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1u4a h GLU 48 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1u4a h GLU 48 CO -0.08 0.62 0.03 0.00 -1.00 0.00 0.00 179.01 178.57 1u4a h ARG 49 N -0.57 0.06 0.02 2.33 3.08 -0.85 -3.32 114.38 115.12 1u4a h ARG 49 Ca -0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1u4a h ARG 49 Cb 0.62 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1u4a h ARG 49 CO 0.00 0.04 -0.01 1.96 -1.07 0.00 0.00 179.97 180.89 1u4a h GLN 50 N 0.06 -0.02 0.00 0.04 1.08 -1.12 -3.49 115.11 111.66 1u4a h GLN 50 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1u4a h GLN 50 Cb -0.00 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1u4a h GLN 50 CO -0.01 -0.02 0.00 0.41 -0.95 0.00 0.00 178.83 178.26 1u4a n GLY 51 N -0.22 0.05 0.00 3.46 0.00 -0.76 -5.10 105.19 102.63 1u4a n GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.32 0.99 4.77 -0.40 -5.06 117.00 112.98 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 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1u4a n LEU 52 CO 0.00 0.00 -0.47 -0.44 -1.33 0.00 0.00 177.39 175.15 1u4a s SER 53 N 0.44 2.55 -0.29 -1.43 0.01 -1.26 -4.79 113.70 108.93 1u4a s SER 53 Ca 0.00 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.41 1u4a s SER 53 Cb 0.00 -0.14 0.47 0.00 0.21 0.00 0.00 66.02 66.56 1u4a s SER 53 CO 0.00 -0.08 1.59 0.80 0.41 0.00 0.00 173.24 175.96 1u4a n MET 54 N 0.20 2.07 0.00 12.44 1.56 -1.26 -3.85 117.12 128.28 1u4a n MET 54 Ca -0.13 -2.06 0.00 0.00 -0.27 0.00 0.00 57.70 55.25 1u4a n MET 54 Cb 0.58 -1.83 0.00 0.00 2.15 0.00 0.00 33.22 34.12 1u4a n MET 54 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13 1u4a n ARG 55 N -0.49 0.16 -2.83 2.12 1.85 -1.26 -4.91 116.66 111.30 1u4a n ARG 55 Ca 0.38 -0.52 -0.07 0.00 -1.00 0.00 0.00 57.85 56.64 1u4a n ARG 55 Cb 1.25 -0.77 0.01 0.00 -1.05 0.00 0.00 32.46 31.90 1u4a n ARG 55 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1u4a n GLN 56 N -0.09 0.57 -3.89 2.89 3.00 -1.25 -5.13 117.38 113.48 1u4a n GLN 56 Ca 0.00 -2.10 -0.10 0.00 -0.01 0.00 0.00 57.00 54.79 1u4a n GLN 56 Cb 0.20 -1.48 -0.09 0.00 0.00 0.00 0.00 30.24 28.87 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 0.70 0.12 -0.01 5.09 -1.09 -1.26 -4.47 121.20 120.28 1u4a s ILE 57 Ca 0.31 -1.00 -0.03 0.00 -2.23 0.00 0.00 60.65 57.71 1u4a s ILE 57 Cb 0.06 -0.91 -0.00 0.00 -1.58 0.00 0.00 42.46 40.02 1u4a s ILE 57 CO -0.11 -0.55 0.05 -0.13 -1.23 0.00 0.00 174.94 172.98 1u4a s ARG 58 N -2.62 0.19 -0.11 2.79 1.81 0.17 -4.97 118.95 116.21 1u4a s ARG 58 Ca -0.05 -0.15 0.03 0.00 -1.72 0.00 0.00 55.73 53.84 1u4a s ARG 58 Cb -0.01 0.08 -0.00 0.00 -0.45 0.00 0.00 34.95 34.57 1u4a s ARG 58 CO -0.04 -0.03 -0.21 -0.06 -0.68 0.00 0.00 175.30 174.28 1u4a s PHE 59 N -0.53 2.64 -0.33 -0.53 0.40 -1.16 -0.71 117.98 117.77 1u4a s PHE 59 Ca -0.06 -0.94 0.02 0.00 -0.60 0.00 0.00 56.93 55.35 1u4a s PHE 59 Cb -0.04 -1.76 0.10 0.00 0.51 0.00 0.00 43.02 41.83 1u4a s PHE 59 CO 0.00 -0.37 0.06 1.03 0.70 0.00 0.00 175.22 176.65 1u4a s ARG 60 N 0.37 1.22 -0.46 0.44 0.52 -0.28 -0.93 118.95 119.85 1u4a s ARG 60 Ca -0.16 -1.60 -0.22 0.00 -0.52 0.00 0.00 55.73 53.23 1u4a s ARG 60 Cb -0.17 -2.79 0.03 0.00 0.52 0.00 0.00 34.95 32.54 1u4a s ARG 60 CO 0.07 -0.95 0.74 0.12 0.02 0.00 0.00 175.30 175.30 1u4a s PHE 61 N 1.15 3.00 -1.46 -0.53 5.36 -0.39 0.59 117.98 125.70 1u4a s PHE 61 Ca 0.10 0.03 -0.08 0.00 -0.96 0.00 0.00 56.93 56.02 1u4a s PHE 61 Cb -0.18 -3.58 0.03 0.00 -0.34 0.00 0.00 43.02 38.95 1u4a s PHE 61 CO -0.14 -0.98 0.79 -3.47 -1.46 0.00 0.00 175.22 169.96 1u4a n ASP 62 N 6.58 -5.55 -0.08 6.13 2.03 -1.26 -1.51 116.55 122.90 1u4a n ASP 62 Ca 0.00 -0.45 -0.01 0.00 0.52 0.00 0.00 54.79 54.86 1u4a n ASP 62 Cb 0.48 -4.46 -0.00 0.00 -0.72 0.00 0.00 41.12 36.42 1u4a n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u4a n GLY 63 N -1.61 0.38 3.14 0.27 0.00 -1.26 -5.05 105.19 101.06 1u4a n GLY 63 Ca -0.04 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.16 2.78 0.06 1.61 0.74 -0.57 -5.10 119.66 116.03 1u4a s GLN 64 Ca 0.00 -0.77 -0.31 0.00 0.05 0.00 0.00 55.36 54.34 1u4a s GLN 64 Cb 0.00 -2.28 -0.07 0.00 1.10 0.00 0.00 33.01 31.76 1u4a s GLN 64 CO 0.00 -0.03 1.44 -1.25 -0.55 0.00 0.00 175.29 174.90 1u4a s PRO 65 N 0.88 4.28 0.11 1.67 0.04 -1.26 -1.26 135.00 139.46 1u4a s PRO 65 Ca -0.07 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 1u4a s PRO 65 Cb -0.15 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 1u4a s PRO 65 CO -0.02 -0.54 0.20 0.96 0.04 0.00 0.00 177.00 177.64 1u4a s ILE 66 N 1.87 0.13 0.48 0.56 -4.36 -0.10 -4.97 121.20 114.80 1u4a s ILE 66 Ca 0.66 -1.29 0.07 0.00 -0.26 0.00 0.00 60.65 59.82 1u4a s ILE 66 Cb -0.35 -1.50 0.01 0.00 1.25 0.00 0.00 42.46 41.86 1u4a s ILE 66 CO 0.29 -0.57 0.41 0.20 0.24 0.00 0.00 174.94 175.51 1u4a s ASN 67 N -2.90 4.84 0.00 4.36 -0.87 -1.26 -2.98 114.94 116.13 1u4a s ASN 67 Ca 0.09 -0.98 0.28 0.00 -1.57 0.00 0.00 52.86 50.68 1u4a s ASN 67 Cb 0.05 -0.10 1.63 0.00 -0.02 0.00 0.00 41.25 42.81 1u4a s ASN 67 CO -0.08 -0.89 2.05 -1.84 -2.57 0.00 0.00 177.10 173.78 1u4a n GLU 68 N -1.67 1.06 -0.02 -0.60 0.00 -1.26 -3.30 120.64 114.85 1u4a n GLU 68 Ca 0.02 -0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.22 1u4a n GLU 68 Cb 0.63 -1.44 0.40 0.00 0.00 0.00 0.00 31.44 31.03 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 -0.84 0.05 -0.73 3.84 -2.24 -1.26 0.10 114.28 113.21 1u4a n THR 69 Ca 0.21 -0.34 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 1u4a n THR 69 Cb 0.12 0.70 0.25 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.91 0.70 0.20 3.42 2.15 -1.21 -4.78 116.67 115.24 1u4a s ASP 70 Ca 0.35 1.09 0.00 0.00 0.43 0.00 0.00 52.55 54.42 1u4a s ASP 70 Cb 0.20 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 41.18 1u4a s ASP 70 CO 0.32 -4.31 0.00 0.35 -0.17 0.00 0.00 175.17 171.35 1u4a n THR 71 N -4.95 0.00 -0.27 1.71 -2.24 -1.26 -2.09 114.28 105.18 1u4a n THR 71 Ca 0.08 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.93 1u4a n THR 71 Cb 0.57 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 69.03 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 0.35 -0.23 -0.78 0.11 -1.95 0.43 132.00 129.93 1u4a h PRO 72 Ca 0.00 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.93 1u4a h PRO 72 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1u4a h PRO 72 CO 0.00 0.23 -0.49 0.00 -0.21 0.00 0.00 178.00 177.53 1u4a h ALA 73 N 1.63 0.37 -0.64 -0.75 0.00 -1.97 0.42 119.26 118.31 1u4a h ALA 73 Ca 0.46 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1u4a h ALA 73 Cb 0.79 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1u4a h ALA 73 CO -0.49 0.54 0.22 0.37 0.00 0.00 0.00 179.25 179.89 1u4a h GLN 74 N 0.47 0.97 0.06 0.00 5.75 -1.56 -1.86 115.11 118.94 1u4a h GLN 74 Ca 0.00 -0.18 -0.24 0.00 -0.15 0.00 0.00 58.65 58.09 1u4a h GLN 74 Cb 1.10 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 1u4a h GLN 74 CO 0.11 0.82 -1.08 1.25 -2.65 0.00 0.00 178.83 177.28 1u4a h LEU 75 N 0.94 0.30 -1.61 -2.39 6.46 -0.17 -3.19 115.31 115.64 1u4a h LEU 75 Ca 0.21 -0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1u4a h LEU 75 Cb 0.24 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1u4a h LEU 75 CO -0.01 1.18 -0.06 -0.08 -0.62 0.00 0.00 178.44 178.85 1u4a h GLU 76 N 0.08 0.00 -7.07 1.25 4.81 -0.61 -3.45 114.58 109.59 1u4a h GLU 76 Ca -0.08 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.76 1u4a h GLU 76 Cb 1.78 0.00 0.21 0.00 0.63 0.00 0.00 28.75 31.38 1u4a h GLU 76 CO 0.17 0.06 -0.09 -1.64 -0.73 0.00 0.00 179.01 176.77 1u4a s MET 77 N -3.78 -2.64 0.03 1.92 -1.94 -0.73 -5.04 119.30 107.13 1u4a s MET 77 Ca -0.00 0.21 -0.02 0.00 -1.71 0.00 0.00 55.69 54.16 1u4a s MET 77 Cb 0.10 -1.41 -0.01 0.00 2.01 0.00 0.00 34.83 35.53 1u4a s MET 77 CO 0.55 -4.70 -0.04 -1.91 -0.01 0.00 0.00 175.02 168.90 1u4a n GLU 78 N -5.52 0.07 0.05 2.03 2.13 -1.26 -5.07 120.64 113.07 1u4a n GLU 78 Ca 0.11 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1u4a n GLU 78 Cb 0.59 -0.48 0.00 0.00 0.27 0.00 0.00 31.44 31.83 1u4a n GLU 78 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1u4a n ASP 79 N -3.27 -0.91 -4.54 4.31 -0.08 -1.26 -4.71 116.55 106.09 1u4a n ASP 79 Ca -0.02 0.32 -0.43 0.00 -1.51 0.00 0.00 54.79 53.15 1u4a n ASP 79 Cb 0.07 1.09 -0.05 0.00 2.34 0.00 0.00 41.12 44.57 1u4a n ASP 79 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1u4a s GLU 80 N -2.00 3.42 0.17 -0.67 2.02 -1.26 -0.78 118.70 119.59 1u4a s GLU 80 Ca 0.00 -0.08 -0.13 0.00 0.02 0.00 0.00 54.97 54.77 1u4a s GLU 80 Cb 0.00 -3.97 0.01 0.00 0.10 0.00 0.00 34.13 30.27 1u4a s GLU 80 CO 0.00 -1.27 0.39 -0.51 0.02 0.00 0.00 175.26 173.89 1u4a s ASP 81 N 2.41 -0.11 0.00 -0.19 1.01 -1.22 -5.05 116.67 113.53 1u4a s ASP 81 Ca 0.32 -0.64 -0.06 0.00 0.71 0.00 0.00 52.55 52.87 1u4a s ASP 81 Cb -0.12 0.50 -0.00 0.00 1.01 0.00 0.00 42.92 44.31 1u4a s ASP 81 CO 0.23 -0.95 0.12 0.28 0.21 0.00 0.00 175.17 175.05 1u4a s THR 82 N -3.91 0.08 0.27 -1.27 -1.32 -1.26 -0.20 115.64 108.04 1u4a s THR 82 Ca 0.12 -0.69 0.04 0.00 -1.21 0.00 0.00 61.69 59.95 1u4a s THR 82 Cb 0.01 -0.40 -0.03 0.00 -1.51 0.00 0.00 72.50 70.56 1u4a s THR 82 CO -0.03 -0.38 0.21 0.27 -2.21 0.00 0.00 174.62 172.48 1u4a s ILE 83 N -1.34 0.00 -0.30 5.08 -4.36 0.20 -4.01 121.20 116.48 1u4a s ILE 83 Ca -0.14 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.25 1u4a s ILE 83 Cb -0.08 -2.50 0.09 0.00 1.25 0.00 0.00 42.46 41.22 1u4a s ILE 83 CO 0.01 0.00 0.05 -1.81 0.24 0.00 0.00 174.94 173.43 1u4a s ASP 84 N -3.28 4.14 -0.19 4.36 1.11 0.20 -0.96 116.67 122.05 1u4a s ASP 84 Ca 0.40 -1.64 -0.29 0.00 0.18 0.00 0.00 52.55 51.20 1u4a s ASP 84 Cb 0.04 -1.12 0.00 0.00 1.07 0.00 0.00 42.92 42.91 1u4a s ASP 84 CO 0.21 -0.36 1.03 0.54 1.18 0.00 0.00 175.17 177.77 1u4a s VAL 85 N 1.39 4.71 0.01 -1.27 0.11 0.44 -1.12 120.40 124.66 1u4a s VAL 85 Ca 0.06 2.03 0.06 0.00 -2.93 0.00 0.00 61.98 61.20 1u4a s VAL 85 Cb -0.18 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.33 1u4a s VAL 85 CO -0.16 -0.12 -0.16 -0.36 -3.33 0.00 0.00 175.10 170.96 1u4a s PHE 86 N 2.84 2.61 -0.03 1.54 0.40 0.12 -2.14 117.98 123.32 1u4a s PHE 86 Ca 0.45 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.57 1u4a s PHE 86 Cb -0.16 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 41.87 1u4a s PHE 86 CO 0.10 0.22 -0.02 1.14 0.70 0.00 0.00 175.22 177.36 1u4a s GLN 87 N -1.16 0.50 0.03 0.44 -2.07 -1.26 0.44 119.66 116.58 1u4a s GLN 87 Ca 0.14 0.00 -0.28 0.00 -1.82 0.00 0.00 55.36 53.40 1u4a s GLN 87 Cb -0.11 -0.61 0.10 0.00 -1.09 0.00 0.00 33.01 31.31 1u4a s GLN 87 CO 0.04 -0.11 1.20 1.14 -1.32 0.00 0.00 175.29 176.24 1u4a s GLN 88 N 0.96 0.63 0.07 9.60 0.00 -1.26 -5.06 119.66 124.59 1u4a s GLN 88 Ca -0.11 -0.36 0.00 0.00 -0.00 0.00 0.00 55.36 54.89 1u4a s GLN 88 Cb -0.14 0.20 0.00 0.00 0.00 0.00 0.00 33.01 33.08 1u4a s GLN 88 CO -0.01 -0.29 0.00 0.94 0.00 0.00 0.00 175.29 175.93 1u4a n GLN 89 N -0.56 0.00 -1.84 9.60 7.27 -1.26 -4.81 117.38 125.78 1u4a n GLN 89 Ca -0.06 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.60 1u4a n GLN 89 Cb 0.62 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.26 1u4a n GLN 89 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1u4a n THR 90 N -2.52 4.27 0.00 1.69 -2.24 -1.26 -4.75 114.28 109.46 1u4a n THR 90 Ca 0.00 -3.54 0.00 0.00 -2.27 0.00 0.00 64.05 58.24 1u4a n THR 90 Cb 0.00 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 65.79 1u4a n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u4a n GLY 91 N 3.14 4.10 0.00 3.38 0.00 -1.26 -5.33 105.19 109.23 1u4a n GLY 91 Ca 0.57 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93