#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4a n ASP 15 N 0.00 2.07 -3.88 6.41 9.92 -1.26 -5.08 116.55 124.73 1u4a n ASP 15 Ca 0.00 -3.03 -0.11 0.00 -0.53 0.00 0.00 54.79 51.12 1u4a n ASP 15 Cb 0.00 -0.67 -0.09 0.00 -0.64 0.00 0.00 41.12 39.72 1u4a n ASP 15 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1u4a s HIS 16 N -1.45 0.09 -0.24 1.24 3.76 -1.26 -4.75 115.29 112.67 1u4a s HIS 16 Ca 0.33 -0.26 -0.12 0.00 -0.15 0.00 0.00 55.06 54.87 1u4a s HIS 16 Cb 0.07 -0.07 -0.05 0.00 1.11 0.00 0.00 32.58 33.65 1u4a s HIS 16 CO -0.11 -0.33 0.21 0.96 -0.85 0.00 0.00 174.74 174.62 1u4a s ILE 17 N -1.90 5.32 -0.19 0.60 -4.36 0.06 -4.81 121.20 115.92 1u4a s ILE 17 Ca -0.11 0.28 -0.25 0.00 -0.26 0.00 0.00 60.65 60.32 1u4a s ILE 17 Cb -0.05 -3.55 -0.01 0.00 1.25 0.00 0.00 42.46 40.10 1u4a s ILE 17 CO -0.01 0.31 0.84 0.20 0.24 0.00 0.00 174.94 176.52 1u4a s ASN 18 N 1.15 6.92 -0.20 4.36 0.01 0.15 -2.50 114.94 124.84 1u4a s ASN 18 Ca 0.10 1.14 0.01 0.00 -0.71 0.00 0.00 52.86 53.40 1u4a s ASN 18 Cb -0.14 -2.45 0.03 0.00 0.41 0.00 0.00 41.25 39.10 1u4a s ASN 18 CO 0.06 -0.44 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.28 1u4a s LEU 19 N 2.40 2.53 -0.76 0.60 2.01 0.26 -2.62 118.68 123.09 1u4a s LEU 19 Ca 0.37 -0.84 -0.20 0.00 0.01 0.00 0.00 54.13 53.48 1u4a s LEU 19 Cb -0.16 -1.51 0.11 0.00 0.01 0.00 0.00 46.19 44.64 1u4a s LEU 19 CO 0.11 -0.05 0.96 -0.54 1.01 0.00 0.00 176.35 177.83 1u4a s LYS 20 N 1.25 3.33 -0.20 1.70 3.01 -0.93 -1.87 119.74 126.03 1u4a s LYS 20 Ca 0.01 -1.44 -0.26 0.00 -1.01 0.00 0.00 55.97 53.28 1u4a s LYS 20 Cb -0.15 -4.53 -0.01 0.00 -1.01 0.00 0.00 37.83 32.13 1u4a s LYS 20 CO -0.10 -1.70 0.86 0.08 0.51 0.00 0.00 175.35 175.00 1u4a s VAL 21 N 2.91 4.84 -0.29 3.17 1.01 -0.42 -1.52 120.40 130.10 1u4a s VAL 21 Ca 0.24 1.68 -0.12 0.00 0.00 0.00 0.00 61.98 63.77 1u4a s VAL 21 Cb -0.13 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1u4a s VAL 21 CO -0.00 -0.03 0.21 0.00 0.00 0.00 0.00 175.10 175.28 1u4a s ALA 22 N 2.49 3.53 0.10 5.51 0.00 -0.36 -1.86 121.76 131.17 1u4a s ALA 22 Ca 0.38 -1.11 -0.26 0.00 0.00 0.00 0.00 51.96 50.97 1u4a s ALA 22 Cb -0.16 -2.53 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 1u4a s ALA 22 CO 0.10 -0.62 0.81 0.20 0.00 0.00 0.00 175.76 176.25 1u4a s GLY 23 N 1.75 2.88 0.32 0.00 0.00 0.19 -0.21 107.32 112.24 1u4a s GLY 23 Ca 0.07 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.18 1u4a s GLY 23 CO 0.11 1.09 1.88 -1.61 0.00 0.00 0.00 173.10 174.57 1u4a h GLN 24 N 5.20 0.70 -0.39 2.90 4.15 -1.67 -2.47 115.11 123.53 1u4a h GLN 24 Ca -0.45 -0.13 0.05 0.00 0.77 0.00 0.00 58.65 58.89 1u4a h GLN 24 Cb 1.21 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 1u4a h GLN 24 CO 0.69 0.63 0.26 0.22 -1.93 0.00 0.00 178.83 178.71 1u4a h ASP 25 N 0.68 0.29 0.00 -0.69 1.82 -1.92 -3.45 116.42 113.16 1u4a h ASP 25 Ca 0.16 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1u4a h ASP 25 Cb 0.25 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1u4a h ASP 25 CO -0.00 0.20 0.00 0.61 -1.61 0.00 0.00 179.24 178.43 1u4a n GLY 26 N -1.52 0.61 3.13 -0.78 0.00 -0.94 -5.17 105.19 100.52 1u4a n GLY 26 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1u4a n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u4a s SER 27 N -0.52 0.70 -0.27 1.61 0.15 -1.18 -5.00 113.70 109.18 1u4a s SER 27 Ca 0.00 -1.03 -0.03 0.00 0.70 0.00 0.00 55.95 55.58 1u4a s SER 27 Cb 0.00 0.18 0.10 0.00 -1.71 0.00 0.00 66.02 64.59 1u4a s SER 27 CO 0.00 -0.57 0.17 -0.69 1.20 0.00 0.00 173.24 173.35 1u4a s VAL 28 N -3.84 -0.17 0.03 4.45 1.01 -1.26 0.55 120.40 121.18 1u4a s VAL 28 Ca 0.11 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1u4a s VAL 28 Cb 0.07 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1u4a s VAL 28 CO -0.07 -0.59 0.06 -0.69 0.00 0.00 0.00 175.10 173.82 1u4a s VAL 29 N 2.18 4.52 -0.18 2.92 1.01 -0.78 -4.98 120.40 125.09 1u4a s VAL 29 Ca 0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1u4a s VAL 29 Cb -0.15 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1u4a s VAL 29 CO -0.32 0.26 -0.11 -1.58 0.00 0.00 0.00 175.10 173.35 1u4a s GLN 30 N -1.97 3.27 0.04 2.72 0.74 -1.26 -1.31 119.66 121.89 1u4a s GLN 30 Ca 0.25 -0.70 0.05 0.00 0.05 0.00 0.00 55.36 55.00 1u4a s GLN 30 Cb -0.12 -2.78 -0.02 0.00 1.10 0.00 0.00 33.01 31.19 1u4a s GLN 30 CO 0.16 -0.09 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.61 1u4a s PHE 31 N 1.12 1.24 0.03 1.67 0.08 -0.78 -4.98 117.98 116.36 1u4a s PHE 31 Ca 0.01 -0.37 0.06 0.00 0.12 0.00 0.00 56.93 56.75 1u4a s PHE 31 Cb -0.14 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 1u4a s PHE 31 CO -0.03 0.04 -0.18 -1.59 -0.10 0.00 0.00 175.22 173.36 1u4a s LYS 32 N -1.23 1.22 0.34 0.44 -2.85 -1.26 -0.57 119.74 115.83 1u4a s LYS 32 Ca 0.01 -0.82 0.01 0.00 -1.00 0.00 0.00 55.97 54.17 1u4a s LYS 32 Cb -0.08 -1.28 -0.01 0.00 -2.06 0.00 0.00 37.83 34.40 1u4a s LYS 32 CO 0.01 0.33 0.41 0.96 0.10 0.00 0.00 175.35 177.16 1u4a s ILE 33 N -0.75 0.00 0.30 3.79 -4.36 -1.04 -4.91 121.20 114.23 1u4a s ILE 33 Ca 0.05 -1.74 -0.17 0.00 -0.26 0.00 0.00 60.65 58.53 1u4a s ILE 33 Cb -0.08 -2.60 -0.09 0.00 1.25 0.00 0.00 42.46 40.94 1u4a s ILE 33 CO 0.01 0.00 0.74 -1.59 0.24 0.00 0.00 174.94 174.34 1u4a s LYS 34 N -3.17 4.09 -1.05 0.37 -2.85 -1.26 -0.76 119.74 115.11 1u4a s LYS 34 Ca 0.34 0.75 -0.07 0.00 -1.00 0.00 0.00 55.97 56.00 1u4a s LYS 34 Cb 0.01 -2.56 -0.01 0.00 -2.06 0.00 0.00 37.83 33.20 1u4a s LYS 34 CO 0.23 0.22 2.82 -2.13 0.10 0.00 0.00 175.35 176.59 1u4a n ARG 35 N -0.03 3.55 -1.69 1.78 0.00 -1.26 -3.89 116.66 115.12 1u4a n ARG 35 Ca 0.02 -2.52 -0.03 0.00 -0.00 0.00 0.00 57.85 55.32 1u4a n ARG 35 Cb 0.52 -2.49 0.03 0.00 0.00 0.00 0.00 32.46 30.52 1u4a n ARG 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1u4a n HIS 36 N 2.22 -0.84 -3.63 -0.14 8.25 -1.26 -4.91 115.22 114.90 1u4a n HIS 36 Ca 0.62 -0.87 -0.15 0.00 -0.26 0.00 0.00 57.72 57.06 1u4a n HIS 36 Cb 0.40 0.91 -0.07 0.00 1.12 0.00 0.00 29.99 32.35 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 0.97 1.59 -4.23 -1.25 -5.17 115.64 107.63 1u4a s THR 37 Ca 0.04 -0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 1u4a s THR 37 Cb 0.18 -0.83 0.10 0.00 1.34 0.00 0.00 72.50 73.29 1u4a s THR 37 CO -0.05 -0.07 0.65 -2.65 -0.54 0.00 0.00 174.62 171.96 1u4a n PRO 38 N 1.59 -0.65 0.32 3.99 -0.02 -1.26 -4.86 135.00 134.12 1u4a n PRO 38 Ca -0.18 -0.14 0.19 0.00 -2.02 0.00 0.00 63.50 61.35 1u4a n PRO 38 Cb 0.56 -2.03 1.08 0.00 -0.02 0.00 0.00 33.50 33.09 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 -1.81 0.00 -1.87 2.45 3.38 -1.48 -2.33 115.31 113.64 1u4a h LEU 39 Ca -0.46 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.76 1u4a h LEU 39 Cb 1.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 1u4a h LEU 39 CO 0.38 0.00 0.64 -1.28 0.09 0.00 0.00 178.44 178.27 1u4a h SER 40 N 0.00 0.11 0.58 -0.43 0.87 -1.81 -0.29 113.55 112.58 1u4a h SER 40 Ca 0.00 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1u4a h SER 40 Cb 0.03 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1u4a h SER 40 CO -0.00 0.04 -0.42 0.11 -0.53 0.00 0.00 176.83 176.02 1u4a h LYS 41 N 0.10 -0.93 -0.27 2.24 6.56 -1.75 0.17 116.57 122.69 1u4a h LYS 41 Ca 0.45 0.06 -0.05 0.00 -1.06 0.00 0.00 60.65 60.05 1u4a h LYS 41 Cb 1.60 0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 33.46 1u4a h LYS 41 CO -0.06 -0.62 -0.03 1.25 -2.06 0.00 0.00 179.45 177.94 1u4a h LEU 42 N -0.96 0.50 -0.90 2.94 6.46 -1.63 -2.62 115.31 119.10 1u4a h LEU 42 Ca -0.08 -0.34 0.12 0.00 -0.12 0.00 0.00 57.88 57.47 1u4a h LEU 42 Cb 0.79 -0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.50 1u4a h LEU 42 CO 0.04 0.72 0.52 0.24 -0.62 0.00 0.00 178.44 179.33 1u4a h MET 43 N 0.27 0.78 0.56 1.25 2.86 -1.05 0.44 114.93 120.05 1u4a h MET 43 Ca 0.07 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1u4a h MET 43 Cb 0.48 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.97 1u4a h MET 43 CO 0.02 0.52 -0.27 0.87 1.06 0.00 0.00 176.91 179.11 1u4a h LYS 44 N 0.80 -0.73 -0.45 1.72 1.57 -0.58 -2.74 116.57 116.17 1u4a h LYS 44 Ca 0.46 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.31 1u4a h LYS 44 Cb 0.52 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1u4a h LYS 44 CO -0.30 -0.42 0.30 0.00 -0.57 0.00 0.00 179.45 178.47 1u4a h ALA 45 N -0.85 1.73 0.92 3.86 0.00 -1.19 -1.12 119.26 122.61 1u4a h ALA 45 Ca -0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1u4a h ALA 45 Cb 0.64 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1u4a h ALA 45 CO 0.13 0.24 -0.44 -0.92 0.00 0.00 0.00 179.25 178.25 1u4a h TYR 46 N 0.57 -1.15 0.00 0.00 3.20 -0.10 0.46 116.97 119.95 1u4a h TYR 46 Ca 0.17 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1u4a h TYR 46 Cb 0.00 0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1u4a h TYR 46 CO -0.00 -0.71 -0.15 0.77 -1.64 0.00 0.00 178.16 176.43 1u4a h SER 47 N -1.25 0.00 0.19 -2.11 0.02 -1.39 -2.02 113.55 106.98 1u4a h SER 47 Ca -0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1u4a h SER 47 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1u4a h SER 47 CO 0.21 0.15 -0.09 -0.08 -1.14 0.00 0.00 176.83 175.87 1u4a h GLU 48 N 0.00 -0.24 -0.89 3.45 4.81 -1.01 -1.58 114.58 119.10 1u4a h GLU 48 Ca -0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1u4a h GLU 48 Cb 0.29 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 1u4a h GLU 48 CO 0.02 0.08 0.56 0.00 -0.73 0.00 0.00 179.01 178.94 1u4a h ARG 49 N -0.97 0.99 0.00 1.92 2.47 -0.03 -3.29 114.38 115.46 1u4a h ARG 49 Ca -0.03 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1u4a h ARG 49 Cb 0.44 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1u4a h ARG 49 CO 0.04 0.65 0.00 1.04 0.56 0.00 0.00 179.97 182.27 1u4a n GLN 50 N -4.59 0.00 0.00 0.04 3.00 -0.77 -5.03 117.38 110.03 1u4a n GLN 50 Ca 0.13 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1u4a n GLN 50 Cb 0.18 -1.05 0.00 0.00 0.00 0.00 0.00 30.24 29.37 1u4a n GLN 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1u4a n GLY 51 N 1.09 0.10 0.00 1.08 0.00 -0.68 -5.10 105.19 101.69 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 7.99 -0.71 -5.06 117.00 115.89 1u4a n LEU 52 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.66 1u4a n LEU 52 Cb 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.17 1u4a n LEU 52 CO 0.00 0.00 -0.41 -0.55 -1.51 0.00 0.00 177.39 174.92 1u4a s SER 53 N -0.63 4.18 0.52 -1.43 0.15 -1.26 -4.90 113.70 110.32 1u4a s SER 53 Ca 0.00 -0.39 0.24 0.00 0.70 0.00 0.00 55.95 56.51 1u4a s SER 53 Cb 0.00 -1.70 1.41 0.00 -1.71 0.00 0.00 66.02 64.02 1u4a s SER 53 CO 0.00 0.03 2.09 -0.03 1.20 0.00 0.00 173.24 176.53 1u4a h MET 54 N 7.75 0.00 -0.77 5.44 4.05 -1.97 -2.11 114.93 127.32 1u4a h MET 54 Ca -0.38 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 58.75 1u4a h MET 54 Cb 1.17 0.00 -0.17 0.00 -0.80 0.00 0.00 31.60 31.80 1u4a h MET 54 CO 0.60 0.11 0.35 -2.13 0.23 0.00 0.00 176.91 176.06 1u4a n ARG 55 N -3.89 3.23 -2.75 0.39 3.00 -1.26 -4.64 116.66 110.74 1u4a n ARG 55 Ca -0.02 -3.08 -0.05 0.00 -0.00 0.00 0.00 57.85 54.70 1u4a n ARG 55 Cb 0.20 -2.18 0.02 0.00 0.00 0.00 0.00 32.46 30.50 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 -0.47 0.57 -3.86 -0.14 1.13 -0.79 -5.15 117.38 108.66 1u4a n GLN 56 Ca 0.45 -1.93 -0.09 0.00 -1.94 0.00 0.00 57.00 53.49 1u4a n GLN 56 Cb 1.43 -1.40 -0.07 0.00 0.11 0.00 0.00 30.24 30.31 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 0.84 0.14 -0.02 5.09 -1.09 -1.26 -4.49 121.20 120.40 1u4a s ILE 57 Ca 0.30 -1.14 -0.01 0.00 -2.23 0.00 0.00 60.65 57.57 1u4a s ILE 57 Cb 0.05 -1.27 0.02 0.00 -1.58 0.00 0.00 42.46 39.68 1u4a s ILE 57 CO -0.09 -0.63 0.05 -0.60 -1.23 0.00 0.00 174.94 172.44 1u4a s ARG 58 N -3.65 0.02 0.02 2.79 3.52 -0.63 -4.96 118.95 116.06 1u4a s ARG 58 Ca 0.03 0.14 0.08 0.00 -0.13 0.00 0.00 55.73 55.86 1u4a s ARG 58 Cb 0.04 -0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.31 1u4a s ARG 58 CO -0.10 -0.08 -0.25 -0.06 -0.81 0.00 0.00 175.30 174.00 1u4a s PHE 59 N 0.53 2.22 -0.08 5.12 0.40 -1.12 0.19 117.98 125.23 1u4a s PHE 59 Ca -0.04 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1u4a s PHE 59 Cb -0.06 -1.36 0.03 0.00 0.51 0.00 0.00 43.02 42.14 1u4a s PHE 59 CO -0.02 0.07 -0.00 1.03 0.70 0.00 0.00 175.22 177.00 1u4a s ARG 60 N -1.02 0.68 -0.43 0.44 0.52 -0.72 -1.19 118.95 117.22 1u4a s ARG 60 Ca 0.10 0.05 -0.09 0.00 -0.52 0.00 0.00 55.73 55.28 1u4a s ARG 60 Cb -0.10 -1.09 0.09 0.00 0.52 0.00 0.00 34.95 34.37 1u4a s ARG 60 CO 0.01 -0.32 0.27 0.12 0.02 0.00 0.00 175.30 175.40 1u4a s PHE 61 N 1.95 3.37 -1.46 -0.53 5.36 -0.86 -1.54 117.98 124.27 1u4a s PHE 61 Ca 0.05 -1.66 -0.09 0.00 -0.96 0.00 0.00 56.93 54.26 1u4a s PHE 61 Cb -0.13 -3.09 0.04 0.00 -0.34 0.00 0.00 43.02 39.50 1u4a s PHE 61 CO -0.06 -0.89 0.90 -0.25 -1.46 0.00 0.00 175.22 173.46 1u4a n ASP 62 N 4.89 -5.57 -0.01 6.13 9.92 -1.26 -1.76 116.55 128.90 1u4a n ASP 62 Ca -0.09 -0.53 -0.00 0.00 -0.53 0.00 0.00 54.79 53.64 1u4a n ASP 62 Cb 0.42 -4.45 -0.00 0.00 -0.64 0.00 0.00 41.12 36.45 1u4a n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u4a n GLY 63 N -1.70 0.37 2.95 0.44 0.00 -1.26 -5.05 105.19 100.94 1u4a n GLY 63 Ca -0.01 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.71 1.57 0.12 1.61 -0.21 -0.72 -5.10 119.66 113.21 1u4a s GLN 64 Ca 0.00 -1.20 -0.35 0.00 0.02 0.00 0.00 55.36 53.83 1u4a s GLN 64 Cb 0.00 -2.66 -0.15 0.00 1.00 0.00 0.00 33.01 31.20 1u4a s GLN 64 CO 0.00 -0.70 1.52 -2.30 -2.12 0.00 0.00 175.29 171.69 1u4a n PRO 65 N 4.59 1.83 -3.81 2.91 -0.02 -1.26 -2.03 135.00 137.21 1u4a n PRO 65 Ca -0.08 0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 61.94 1u4a n PRO 65 Cb 0.43 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.98 0.04 0.50 4.25 -4.36 -0.34 -4.95 121.20 117.33 1u4a s ILE 66 Ca 0.81 -0.35 0.08 0.00 -0.26 0.00 0.00 60.65 60.94 1u4a s ILE 66 Cb -0.77 -0.45 0.05 0.00 1.25 0.00 0.00 42.46 42.54 1u4a s ILE 66 CO 0.42 -0.19 0.69 0.21 0.24 0.00 0.00 174.94 176.30 1u4a s ASN 67 N -0.74 5.36 0.00 4.36 3.84 -1.26 -2.78 114.94 123.72 1u4a s ASN 67 Ca -0.08 -0.57 -0.04 0.00 0.21 0.00 0.00 52.86 52.38 1u4a s ASN 67 Cb -0.05 -0.26 -0.17 0.00 -0.55 0.00 0.00 41.25 40.22 1u4a s ASN 67 CO 0.02 -1.06 2.68 -1.84 -2.79 0.00 0.00 177.10 174.11 1u4a n GLU 68 N -2.07 1.41 -0.40 0.43 0.00 -1.26 -3.18 120.64 115.56 1u4a n GLU 68 Ca 0.11 -0.62 0.00 0.00 0.00 0.00 0.00 57.16 56.65 1u4a n GLU 68 Cb 0.60 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 30.31 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 2.40 0.00 -1.47 3.84 -2.24 -1.26 -3.40 114.28 112.15 1u4a n THR 69 Ca 0.27 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.75 1u4a n THR 69 Cb 0.66 0.35 0.20 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.47 2.14 0.26 3.42 -1.08 -1.19 -4.76 116.67 114.99 1u4a s ASP 70 Ca 0.00 0.54 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1u4a s ASP 70 Cb 0.00 -0.76 0.00 0.00 -1.46 0.00 0.00 42.92 40.70 1u4a s ASP 70 CO 0.00 -3.36 0.00 0.35 0.52 0.00 0.00 175.17 172.68 1u4a n THR 71 N -4.24 0.00 -0.21 1.71 -2.24 -1.26 -1.28 114.28 106.76 1u4a n THR 71 Ca 0.13 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.92 1u4a n THR 71 Cb 0.59 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.08 -0.34 -0.78 0.11 -1.97 0.15 132.00 129.25 1u4a h PRO 72 Ca 0.00 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 1u4a h PRO 72 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1u4a h PRO 72 CO 0.00 0.05 -0.25 0.00 -0.21 0.00 0.00 178.00 177.59 1u4a h ALA 73 N 1.60 0.48 -0.85 -0.75 0.00 -1.99 -1.30 119.26 116.46 1u4a h ALA 73 Ca 0.33 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1u4a h ALA 73 Cb 0.54 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1u4a h ALA 73 CO -0.58 0.48 0.56 0.37 0.00 0.00 0.00 179.25 180.07 1u4a h GLN 74 N 0.54 0.94 0.01 0.00 -0.00 -1.60 -1.24 115.11 113.76 1u4a h GLN 74 Ca 0.06 -0.06 -0.20 0.00 -0.00 0.00 0.00 58.65 58.46 1u4a h GLN 74 Cb 0.81 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 28.07 1u4a h GLN 74 CO 0.07 0.62 -0.89 -0.07 0.00 0.00 0.00 178.83 178.56 1u4a h LEU 75 N 0.97 0.18 -1.91 -2.39 4.07 -0.63 -3.15 115.31 112.45 1u4a h LEU 75 Ca 0.36 -0.15 0.04 0.00 0.08 0.00 0.00 57.88 58.21 1u4a h LEU 75 Cb 0.18 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1u4a h LEU 75 CO -0.13 0.98 0.16 -0.33 -1.08 0.00 0.00 178.44 178.05 1u4a h GLU 76 N 0.07 0.11 -7.16 1.13 5.08 -0.02 -3.43 114.58 110.36 1u4a h GLU 76 Ca -0.04 -0.01 -0.43 0.00 -1.00 0.00 0.00 59.36 57.88 1u4a h GLU 76 Cb 1.54 -0.03 0.21 0.00 0.50 0.00 0.00 28.75 30.97 1u4a h GLU 76 CO 0.13 0.08 0.01 -1.64 -1.00 0.00 0.00 179.01 176.59 1u4a s MET 77 N -5.15 -1.06 0.08 2.33 -1.94 -1.00 -5.02 119.30 107.55 1u4a s MET 77 Ca -0.06 0.68 0.00 0.00 -1.71 0.00 0.00 55.69 54.61 1u4a s MET 77 Cb 0.18 -1.55 0.00 0.00 2.01 0.00 0.00 34.83 35.47 1u4a s MET 77 CO 0.70 -3.78 0.00 -1.91 -0.01 0.00 0.00 175.02 170.02 1u4a n GLU 78 N -4.93 0.00 0.19 2.03 2.13 -1.26 -5.07 120.64 113.73 1u4a n GLU 78 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1u4a n GLU 78 Cb 0.55 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 32.21 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 -2.83 -3.12 -4.61 4.31 -0.08 -1.26 -4.55 116.55 104.41 1u4a n ASP 79 Ca 0.00 0.73 -0.39 0.00 -1.51 0.00 0.00 54.79 53.63 1u4a n ASP 79 Cb 0.04 2.98 -0.09 0.00 2.34 0.00 0.00 41.12 46.38 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 -1.83 4.01 0.11 -0.67 2.02 -1.26 0.34 118.70 121.42 1u4a s GLU 80 Ca 0.00 -0.05 -0.15 0.00 0.02 0.00 0.00 54.97 54.79 1u4a s GLU 80 Cb 0.00 -3.65 0.03 0.00 0.10 0.00 0.00 34.13 30.61 1u4a s GLU 80 CO 0.00 -0.23 0.36 -0.51 0.02 0.00 0.00 175.26 174.90 1u4a s ASP 81 N 1.61 -0.16 0.13 -0.19 1.01 -1.08 -5.03 116.67 112.96 1u4a s ASP 81 Ca 0.13 -0.35 0.09 0.00 0.71 0.00 0.00 52.55 53.14 1u4a s ASP 81 Cb -0.16 0.44 -0.04 0.00 1.01 0.00 0.00 42.92 44.17 1u4a s ASP 81 CO 0.10 -0.80 -0.23 0.42 0.21 0.00 0.00 175.17 174.87 1u4a s THR 82 N -3.63 1.97 0.19 -1.27 -4.23 -1.26 -2.19 115.64 105.22 1u4a s THR 82 Ca 0.02 -1.71 -0.06 0.00 -1.18 0.00 0.00 61.69 58.76 1u4a s THR 82 Cb 0.02 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 1u4a s THR 82 CO -0.11 -0.05 0.23 -0.63 -0.54 0.00 0.00 174.62 173.53 1u4a s ILE 83 N -1.29 0.03 -0.32 2.99 1.01 -0.57 -4.60 121.20 118.45 1u4a s ILE 83 Ca 0.11 -1.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.04 1u4a s ILE 83 Cb -0.09 -2.20 0.11 0.00 0.01 0.00 0.00 42.46 40.29 1u4a s ILE 83 CO 0.06 -0.15 0.15 -1.81 0.00 0.00 0.00 174.94 173.19 1u4a s ASP 84 N -3.06 3.51 -0.24 3.58 1.01 -0.59 -1.22 116.67 119.66 1u4a s ASP 84 Ca 0.27 -1.63 -0.27 0.00 0.71 0.00 0.00 52.55 51.63 1u4a s ASP 84 Cb 0.04 -0.50 0.00 0.00 1.01 0.00 0.00 42.92 43.48 1u4a s ASP 84 CO 0.07 -0.40 0.95 0.54 0.21 0.00 0.00 175.17 176.54 1u4a s VAL 85 N 1.68 4.74 -0.20 -1.27 0.11 0.70 -1.75 120.40 124.41 1u4a s VAL 85 Ca 0.12 1.82 -0.11 0.00 -2.93 0.00 0.00 61.98 60.88 1u4a s VAL 85 Cb -0.18 -4.23 -0.05 0.00 -1.53 0.00 0.00 36.38 30.38 1u4a s VAL 85 CO -0.24 -0.15 0.16 -0.36 -3.33 0.00 0.00 175.10 171.18 1u4a s PHE 86 N 3.07 3.40 -0.02 1.54 0.40 0.13 -1.93 117.98 124.57 1u4a s PHE 86 Ca 0.40 0.36 0.02 0.00 -0.60 0.00 0.00 56.93 57.11 1u4a s PHE 86 Cb -0.15 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.14 1u4a s PHE 86 CO 0.07 0.24 -0.04 -0.65 0.70 0.00 0.00 175.22 175.54 1u4a s GLN 87 N 0.51 2.70 0.08 0.44 -1.52 -1.26 -1.61 119.66 118.99 1u4a s GLN 87 Ca 0.09 -0.63 0.04 0.00 -1.95 0.00 0.00 55.36 52.91 1u4a s GLN 87 Cb -0.12 -2.60 -0.03 0.00 -0.22 0.00 0.00 33.01 30.04 1u4a s GLN 87 CO 0.00 0.63 -0.11 -0.65 -0.25 0.00 0.00 175.29 174.91 1u4a s GLN 88 N -1.32 0.79 -0.01 2.91 -1.52 -1.26 -4.93 119.66 114.31 1u4a s GLN 88 Ca 0.17 -1.03 -0.04 0.00 -1.95 0.00 0.00 55.36 52.51 1u4a s GLN 88 Cb -0.11 -0.60 -0.02 0.00 -0.22 0.00 0.00 33.01 32.05 1u4a s GLN 88 CO 0.07 0.11 -0.08 1.04 -0.25 0.00 0.00 175.29 176.18 1u4a n GLN 89 N 0.95 0.13 -0.08 2.91 3.00 -1.26 -4.96 117.38 118.06 1u4a n GLN 89 Ca -0.19 0.05 -0.08 0.00 -0.01 0.00 0.00 57.00 56.77 1u4a n GLN 89 Cb 0.56 -0.72 -0.03 0.00 0.00 0.00 0.00 30.24 30.05 1u4a n GLN 89 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1u4a n THR 90 N -3.51 1.45 0.00 5.09 -1.04 -1.26 -5.14 114.28 109.86 1u4a n THR 90 Ca -0.08 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1u4a n THR 90 Cb 0.35 -2.29 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 1u4a n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u4a n GLY 91 N 1.56 4.32 1.53 3.41 0.00 -1.26 -5.30 105.19 109.45 1u4a n GLY 91 Ca -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93