#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 -1.95 -4.11 6.41 2.03 -1.26 -5.09 116.55 112.59 1u4a n ASP 15 Ca 0.00 1.16 -0.09 0.00 0.52 0.00 0.00 54.79 56.38 1u4a n ASP 15 Cb 0.00 -4.65 -0.09 0.00 -0.72 0.00 0.00 41.12 35.65 1u4a n ASP 15 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1u4a s HIS 16 N -0.75 0.74 -0.22 -0.67 3.76 -1.26 -4.86 115.29 112.04 1u4a s HIS 16 Ca -0.20 -1.13 -0.07 0.00 -0.15 0.00 0.00 55.06 53.51 1u4a s HIS 16 Cb 0.01 -0.40 -0.03 0.00 1.11 0.00 0.00 32.58 33.27 1u4a s HIS 16 CO 0.68 -0.54 0.05 0.96 -0.85 0.00 0.00 174.74 175.05 1u4a s ILE 17 N -4.02 4.41 -0.19 0.60 -4.36 -0.37 -4.84 121.20 112.44 1u4a s ILE 17 Ca 0.21 -0.15 -0.24 0.00 -0.26 0.00 0.00 60.65 60.21 1u4a s ILE 17 Cb 0.07 -3.02 -0.01 0.00 1.25 0.00 0.00 42.46 40.74 1u4a s ILE 17 CO 0.00 0.40 0.79 0.21 0.24 0.00 0.00 174.94 176.57 1u4a s ASN 18 N 1.05 6.87 -0.07 4.36 3.84 -0.40 -3.15 114.94 127.44 1u4a s ASN 18 Ca 0.04 1.07 0.05 0.00 0.21 0.00 0.00 52.86 54.23 1u4a s ASN 18 Cb -0.14 -2.43 -0.01 0.00 -0.55 0.00 0.00 41.25 38.12 1u4a s ASN 18 CO 0.03 -0.40 -0.24 -0.76 -2.79 0.00 0.00 177.10 172.94 1u4a s LEU 19 N 2.26 2.13 -0.65 3.21 1.02 -1.07 -2.63 118.68 122.95 1u4a s LEU 19 Ca 0.35 -0.50 -0.10 0.00 0.02 0.00 0.00 54.13 53.90 1u4a s LEU 19 Cb -0.16 -1.40 0.17 0.00 0.02 0.00 0.00 46.19 44.82 1u4a s LEU 19 CO 0.11 0.23 0.54 -0.54 0.02 0.00 0.00 176.35 176.71 1u4a s LYS 20 N -0.06 2.97 -0.42 1.70 -0.14 -0.88 -1.98 119.74 120.93 1u4a s LYS 20 Ca -0.06 -2.21 -0.26 0.00 -1.36 0.00 0.00 55.97 52.08 1u4a s LYS 20 Cb -0.15 -4.11 0.02 0.00 -1.68 0.00 0.00 37.83 31.92 1u4a s LYS 20 CO 0.05 -1.24 0.97 0.08 -0.76 0.00 0.00 175.35 174.45 1u4a s VAL 21 N 0.60 4.47 -0.35 3.17 1.01 -1.12 -2.22 120.40 125.96 1u4a s VAL 21 Ca 0.13 1.07 -0.11 0.00 0.00 0.00 0.00 61.98 63.07 1u4a s VAL 21 Cb -0.19 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.77 1u4a s VAL 21 CO -0.04 -0.73 0.19 0.00 0.00 0.00 0.00 175.10 174.52 1u4a s ALA 22 N 3.77 3.28 -0.03 5.51 0.00 -0.17 -2.52 121.76 131.60 1u4a s ALA 22 Ca 0.40 -1.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1u4a s ALA 22 Cb -0.10 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 1u4a s ALA 22 CO 0.24 -1.19 0.99 0.20 0.00 0.00 0.00 175.76 176.00 1u4a s GLY 23 N 1.58 2.73 0.37 0.00 0.00 0.03 -2.21 107.32 109.83 1u4a s GLY 23 Ca 0.03 0.49 0.07 0.00 0.00 0.00 0.00 44.72 45.31 1u4a s GLY 23 CO 0.07 1.76 1.95 -1.61 0.00 0.00 0.00 173.10 175.27 1u4a h GLN 24 N 6.89 0.68 -0.05 2.90 4.15 -1.87 -0.62 115.11 127.20 1u4a h GLN 24 Ca -0.38 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 58.98 1u4a h GLN 24 Cb 1.20 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 1u4a h GLN 24 CO 0.78 0.45 -0.09 0.22 -1.93 0.00 0.00 178.83 178.27 1u4a h ASP 25 N 0.70 0.06 0.00 -0.69 1.82 -1.92 -3.46 116.42 112.94 1u4a h ASP 25 Ca 0.32 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 1u4a h ASP 25 Cb 0.33 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1u4a h ASP 25 CO -0.11 0.16 0.00 0.61 -1.61 0.00 0.00 179.24 178.29 1u4a n GLY 26 N -1.20 0.39 2.86 -0.78 0.00 -0.25 -5.15 105.19 101.07 1u4a n GLY 26 Ca -0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.64 -0.21 1.61 0.01 -1.16 -4.99 113.70 109.60 1u4a s SER 27 Ca 0.00 -0.05 -0.06 0.00 1.31 0.00 0.00 55.95 57.15 1u4a s SER 27 Cb 0.00 0.91 -0.02 0.00 0.21 0.00 0.00 66.02 67.11 1u4a s SER 27 CO 0.00 -0.32 0.02 0.54 0.41 0.00 0.00 173.24 173.88 1u4a s VAL 28 N 2.48 4.03 -0.00 3.43 0.11 -1.26 -0.79 120.40 128.40 1u4a s VAL 28 Ca 0.11 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1u4a s VAL 28 Cb -0.15 -2.84 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 1u4a s VAL 28 CO -0.19 0.41 0.00 -0.69 -3.33 0.00 0.00 175.10 171.30 1u4a s VAL 29 N 1.16 -0.00 -0.12 2.04 1.01 -1.05 -5.04 120.40 118.40 1u4a s VAL 29 Ca 0.03 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 1u4a s VAL 29 Cb -0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 1u4a s VAL 29 CO 0.02 0.01 0.45 -1.10 0.00 0.00 0.00 175.10 174.48 1u4a s GLN 30 N 0.14 4.30 0.26 2.72 -0.21 -1.26 -2.80 119.66 122.81 1u4a s GLN 30 Ca -0.01 0.40 0.10 0.00 0.02 0.00 0.00 55.36 55.87 1u4a s GLN 30 Cb -0.02 -3.42 -0.05 0.00 1.00 0.00 0.00 33.01 30.53 1u4a s GLN 30 CO -0.00 0.20 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.22 1u4a s PHE 31 N 0.49 2.53 -0.36 0.91 0.08 -0.84 -5.02 117.98 115.77 1u4a s PHE 31 Ca 0.24 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.03 1u4a s PHE 31 Cb -0.15 -1.14 0.12 0.00 -0.57 0.00 0.00 43.02 41.28 1u4a s PHE 31 CO 0.10 0.63 0.17 0.15 -0.10 0.00 0.00 175.22 176.17 1u4a s LYS 32 N -3.45 0.90 0.54 0.44 1.02 -1.26 -2.61 119.74 115.31 1u4a s LYS 32 Ca 0.29 -1.45 0.03 0.00 0.02 0.00 0.00 55.97 54.86 1u4a s LYS 32 Cb -0.06 -2.01 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1u4a s LYS 32 CO 0.17 -1.08 0.19 0.96 -0.92 0.00 0.00 175.35 174.67 1u4a s ILE 33 N 1.07 1.29 0.44 2.17 -4.36 -1.19 -4.95 121.20 115.68 1u4a s ILE 33 Ca 0.14 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 58.80 1u4a s ILE 33 Cb -0.21 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.45 1u4a s ILE 33 CO -0.12 0.00 0.63 -0.54 0.24 0.00 0.00 174.94 175.15 1u4a s LYS 34 N -4.09 2.93 -0.36 0.37 3.01 -1.26 -1.23 119.74 119.11 1u4a s LYS 34 Ca 0.16 -0.79 0.01 0.00 -1.01 0.00 0.00 55.97 54.35 1u4a s LYS 34 Cb -0.01 -2.64 0.42 0.00 -1.01 0.00 0.00 37.83 34.59 1u4a s LYS 34 CO 0.10 -0.28 1.77 2.89 0.51 0.00 0.00 175.35 180.34 1u4a n ARG 35 N -1.99 1.97 -1.26 1.68 -4.01 -1.26 -3.99 116.66 107.81 1u4a n ARG 35 Ca 0.03 -2.17 0.01 0.00 -1.04 0.00 0.00 57.85 54.68 1u4a n ARG 35 Cb 0.58 -1.85 -0.00 0.00 -3.04 0.00 0.00 32.46 28.15 1u4a n ARG 35 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1u4a n HIS 36 N -0.51 0.00 -4.10 2.89 8.25 -1.26 -4.58 115.22 115.91 1u4a n HIS 36 Ca 0.43 -0.44 -0.18 0.00 -0.26 0.00 0.00 57.72 57.27 1u4a n HIS 36 Cb 1.10 0.02 -0.16 0.00 1.12 0.00 0.00 29.99 32.07 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 0.00 0.41 1.05 1.59 -4.23 -1.26 -5.15 115.64 108.06 1u4a s THR 37 Ca 0.22 -0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.52 1u4a s THR 37 Cb 0.25 -0.45 0.16 0.00 1.34 0.00 0.00 72.50 73.80 1u4a s THR 37 CO -0.11 0.19 0.72 -2.65 -0.54 0.00 0.00 174.62 172.23 1u4a n PRO 38 N 3.90 -1.28 0.23 3.99 -0.02 -1.26 -4.83 135.00 135.74 1u4a n PRO 38 Ca -0.24 -0.33 0.18 0.00 -2.02 0.00 0.00 63.50 61.08 1u4a n PRO 38 Cb 0.52 -2.07 0.86 0.00 -0.02 0.00 0.00 33.50 32.79 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 -2.11 0.00 -0.84 2.45 3.38 -1.22 -1.76 115.31 115.20 1u4a h LEU 39 Ca -0.51 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.60 1u4a h LEU 39 Cb 1.31 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.97 1u4a h LEU 39 CO 0.41 0.00 0.44 0.77 0.09 0.00 0.00 178.44 180.15 1u4a h SER 40 N 0.00 0.54 -0.10 -0.43 4.64 -1.10 0.36 113.55 117.46 1u4a h SER 40 Ca 0.07 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1u4a h SER 40 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1u4a h SER 40 CO -0.00 0.23 0.03 0.50 -0.87 0.00 0.00 176.83 176.72 1u4a h LYS 41 N 0.63 0.08 -0.09 4.77 3.11 -1.61 0.62 116.57 124.08 1u4a h LYS 41 Ca 0.46 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.28 1u4a h LYS 41 Cb 0.63 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.84 1u4a h LYS 41 CO -0.35 0.05 0.01 1.25 -2.81 0.00 0.00 179.45 177.60 1u4a h LEU 42 N 0.08 0.15 0.09 5.20 7.12 -1.44 -1.11 115.31 125.40 1u4a h LEU 42 Ca 0.04 -0.28 -0.00 0.00 0.13 0.00 0.00 57.88 57.77 1u4a h LEU 42 Cb 0.02 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1u4a h LEU 42 CO -0.04 0.39 -0.04 -0.03 -0.13 0.00 0.00 178.44 178.59 1u4a h MET 43 N -0.09 -0.11 0.41 1.25 4.05 -0.19 0.24 114.93 120.49 1u4a h MET 43 Ca 0.03 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1u4a h MET 43 Cb 0.31 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1u4a h MET 43 CO 0.00 -0.04 -0.31 0.87 0.23 0.00 0.00 176.91 177.66 1u4a h LYS 44 N -0.15 -0.69 -0.81 0.39 1.57 0.24 0.19 116.57 117.30 1u4a h LYS 44 Ca -0.01 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1u4a h LYS 44 Cb 0.12 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1u4a h LYS 44 CO 0.02 -0.46 0.52 0.00 -0.57 0.00 0.00 179.45 178.96 1u4a h ALA 45 N -0.23 1.07 0.14 3.86 0.00 -1.17 0.16 119.26 123.09 1u4a h ALA 45 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1u4a h ALA 45 Cb 0.62 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1u4a h ALA 45 CO -0.00 0.35 -0.07 -0.92 0.00 0.00 0.00 179.25 178.60 1u4a h TYR 46 N 1.02 -0.18 -0.48 0.00 3.20 -0.23 0.26 116.97 120.56 1u4a h TYR 46 Ca 0.32 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 1u4a h TYR 46 Cb 0.01 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1u4a h TYR 46 CO -0.03 0.01 0.19 0.66 -1.64 0.00 0.00 178.16 177.35 1u4a h SER 47 N -0.33 0.66 -0.40 -2.11 4.64 -0.42 0.23 113.55 115.82 1u4a h SER 47 Ca -0.02 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.05 1u4a h SER 47 Cb 0.26 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1u4a h SER 47 CO 0.03 0.65 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.55 1u4a h GLU 48 N 0.63 0.80 -0.09 4.77 4.81 -0.63 0.18 114.58 125.05 1u4a h GLU 48 Ca 0.16 -0.22 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 1u4a h GLU 48 Cb 0.20 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.51 1u4a h GLU 48 CO -0.01 0.82 -0.77 0.00 -0.73 0.00 0.00 179.01 178.31 1u4a h ARG 49 N 0.75 0.69 0.07 1.92 3.08 -0.21 -3.38 114.38 117.29 1u4a h ARG 49 Ca 0.14 -0.62 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 1u4a h ARG 49 Cb 0.47 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1u4a h ARG 49 CO 0.02 1.22 -0.04 0.37 -1.07 0.00 0.00 179.97 180.48 1u4a h GLN 50 N 0.37 -0.09 0.00 0.04 -0.00 -0.44 -3.49 115.11 111.48 1u4a h GLN 50 Ca -0.07 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1u4a h GLN 50 Cb 1.42 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.92 1u4a h GLN 50 CO 0.16 -0.06 0.00 0.41 0.00 0.00 0.00 178.83 179.33 1u4a n GLY 51 N 1.15 0.00 0.00 2.39 0.00 0.42 -5.08 105.19 104.07 1u4a n GLY 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.28 0.99 4.32 0.06 -5.04 117.00 113.05 1u4a n LEU 52 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.82 1u4a n LEU 52 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 1u4a n LEU 52 CO 0.00 0.00 -0.18 -0.44 -1.22 0.00 0.00 177.39 175.55 1u4a s SER 53 N 0.32 1.15 -0.37 -1.43 0.01 -1.26 -4.50 113.70 107.61 1u4a s SER 53 Ca 0.00 -1.57 0.03 0.00 1.31 0.00 0.00 55.95 55.72 1u4a s SER 53 Cb 0.00 0.44 0.54 0.00 0.21 0.00 0.00 66.02 67.21 1u4a s SER 53 CO 0.00 -0.93 1.76 0.80 0.41 0.00 0.00 173.24 175.28 1u4a n MET 54 N -0.50 2.03 0.00 12.44 1.56 -1.26 -4.02 117.12 127.37 1u4a n MET 54 Ca 0.03 -2.46 0.02 0.00 -0.27 0.00 0.00 57.70 55.02 1u4a n MET 54 Cb 0.64 -1.97 -0.00 0.00 2.15 0.00 0.00 33.22 34.04 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 -0.83 2.97 -2.76 2.12 3.00 -1.26 -4.86 116.66 115.04 1u4a n ARG 55 Ca 0.49 -0.35 -0.05 0.00 -0.00 0.00 0.00 57.85 57.94 1u4a n ARG 55 Cb 1.44 -0.87 0.02 0.00 0.00 0.00 0.00 32.46 33.04 1u4a n ARG 55 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1u4a n GLN 56 N -0.49 0.58 -3.99 -0.14 7.27 -1.26 -5.05 117.38 114.30 1u4a n GLN 56 Ca 0.02 -1.96 -0.08 0.00 0.07 0.00 0.00 57.00 55.04 1u4a n GLN 56 Cb 0.09 -1.45 -0.09 0.00 2.41 0.00 0.00 30.24 31.20 1u4a n GLN 56 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1u4a s ILE 57 N 0.84 0.17 -0.23 1.69 -1.09 -1.26 -4.79 121.20 116.52 1u4a s ILE 57 Ca 0.30 -1.40 -0.06 0.00 -2.23 0.00 0.00 60.65 57.26 1u4a s ILE 57 Cb 0.05 -1.18 0.11 0.00 -1.58 0.00 0.00 42.46 39.86 1u4a s ILE 57 CO -0.09 -0.77 0.45 -0.60 -1.23 0.00 0.00 174.94 172.70 1u4a s ARG 58 N -3.28 0.38 -0.04 2.79 6.06 -0.88 -4.87 118.95 119.11 1u4a s ARG 58 Ca 0.01 0.98 -0.06 0.00 -2.50 0.00 0.00 55.73 54.16 1u4a s ARG 58 Cb 0.03 0.25 -0.04 0.00 0.06 0.00 0.00 34.95 35.24 1u4a s ARG 58 CO -0.08 -0.36 0.20 -0.06 -2.50 0.00 0.00 175.30 172.51 1u4a s PHE 59 N 2.66 3.58 -0.03 5.12 0.40 -0.93 0.95 117.98 129.73 1u4a s PHE 59 Ca 0.03 0.51 0.02 0.00 -0.60 0.00 0.00 56.93 56.88 1u4a s PHE 59 Cb -0.13 -1.94 0.01 0.00 0.51 0.00 0.00 43.02 41.47 1u4a s PHE 59 CO -0.15 0.67 -0.07 1.03 0.70 0.00 0.00 175.22 177.40 1u4a s ARG 60 N -1.54 0.80 -0.32 0.44 0.52 -0.44 0.17 118.95 118.58 1u4a s ARG 60 Ca 0.23 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.24 1u4a s ARG 60 Cb -0.13 -0.77 0.08 0.00 0.52 0.00 0.00 34.95 34.65 1u4a s ARG 60 CO 0.13 0.05 0.02 0.12 0.02 0.00 0.00 175.30 175.64 1u4a s PHE 61 N 0.37 3.49 -1.48 -0.53 5.36 -0.90 -0.44 117.98 123.85 1u4a s PHE 61 Ca -0.05 -2.46 -0.07 0.00 -0.96 0.00 0.00 56.93 53.38 1u4a s PHE 61 Cb -0.09 -2.52 0.02 0.00 -0.34 0.00 0.00 43.02 40.08 1u4a s PHE 61 CO 0.00 -0.90 0.81 -3.47 -1.46 0.00 0.00 175.22 170.20 1u4a n ASP 62 N 4.44 -5.94 0.00 6.13 2.03 -1.26 -1.93 116.55 120.01 1u4a n ASP 62 Ca -0.06 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1u4a n ASP 62 Cb 0.42 -4.76 0.00 0.00 -0.72 0.00 0.00 41.12 36.06 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 -1.67 0.53 3.03 0.27 0.00 -1.26 -5.04 105.19 101.04 1u4a n GLY 63 Ca -0.06 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.74 1.60 -0.08 1.61 0.74 -0.81 -5.09 119.66 114.89 1u4a s GLN 64 Ca 0.00 -1.80 -0.35 0.00 0.05 0.00 0.00 55.36 53.25 1u4a s GLN 64 Cb 0.00 -3.18 -0.13 0.00 1.10 0.00 0.00 33.01 30.80 1u4a s GLN 64 CO 0.00 -0.89 1.78 -2.30 -0.55 0.00 0.00 175.29 173.33 1u4a n PRO 65 N 4.29 1.91 -4.07 1.67 -0.02 -1.26 -2.13 135.00 135.39 1u4a n PRO 65 Ca 0.01 0.70 -0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1u4a n PRO 65 Cb 0.42 -2.49 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.33 0.36 0.68 4.25 -4.36 0.13 -4.98 121.20 120.60 1u4a s ILE 66 Ca 0.91 -1.42 0.03 0.00 -0.26 0.00 0.00 60.65 59.92 1u4a s ILE 66 Cb -0.78 -1.00 0.12 0.00 1.25 0.00 0.00 42.46 42.05 1u4a s ILE 66 CO 0.52 -0.70 0.93 0.20 0.24 0.00 0.00 174.94 176.14 1u4a s ASN 67 N -2.24 4.57 -0.08 4.36 0.01 -1.26 -2.20 114.94 118.10 1u4a s ASN 67 Ca -0.02 -0.59 0.01 0.00 -0.71 0.00 0.00 52.86 51.54 1u4a s ASN 67 Cb -0.02 0.19 0.13 0.00 0.41 0.00 0.00 41.25 41.97 1u4a s ASN 67 CO -0.04 -1.72 1.13 -1.84 -1.51 0.00 0.00 177.10 173.12 1u4a n GLU 68 N -2.64 1.30 0.00 -0.60 -0.00 -1.26 -3.45 120.64 113.99 1u4a n GLU 68 Ca 0.16 -0.59 0.00 0.00 -0.00 0.00 0.00 57.16 56.73 1u4a n GLU 68 Cb 0.61 -1.28 0.00 0.00 -0.00 0.00 0.00 31.44 30.77 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 0.17 0.61 -0.73 3.84 -2.24 -1.26 -0.57 114.28 114.10 1u4a n THR 69 Ca 0.11 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 1u4a n THR 69 Cb 0.69 0.70 0.18 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.61 2.48 0.23 3.42 -1.08 -1.22 -4.68 116.67 115.21 1u4a s ASP 70 Ca 0.00 1.91 0.00 0.00 -0.52 0.00 0.00 52.55 53.94 1u4a s ASP 70 Cb 0.00 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1u4a s ASP 70 CO 0.00 -3.33 0.00 0.35 0.52 0.00 0.00 175.17 172.71 1u4a n THR 71 N -4.37 0.00 -0.31 1.71 -2.24 -1.26 -0.95 114.28 106.86 1u4a n THR 71 Ca 0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 1u4a n THR 71 Cb 0.53 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.48 -0.17 -0.78 0.11 -1.99 0.44 132.00 130.09 1u4a h PRO 72 Ca 0.00 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.90 1u4a h PRO 72 Cb 0.00 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.01 1u4a h PRO 72 CO 0.00 0.32 -0.62 0.00 -0.21 0.00 0.00 178.00 177.49 1u4a h ALA 73 N 1.67 0.31 -0.81 -0.75 0.00 -1.99 -1.91 119.26 115.78 1u4a h ALA 73 Ca 0.55 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1u4a h ALA 73 Cb 0.97 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1u4a h ALA 73 CO -0.47 0.57 0.53 0.37 0.00 0.00 0.00 179.25 180.25 1u4a h GLN 74 N 0.43 0.92 0.02 0.00 5.75 -1.45 -1.63 115.11 119.15 1u4a h GLN 74 Ca -0.03 -0.06 -0.21 0.00 -0.15 0.00 0.00 58.65 58.21 1u4a h GLN 74 Cb 1.24 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 1u4a h GLN 74 CO 0.13 0.61 -0.96 -0.07 -2.65 0.00 0.00 178.83 175.88 1u4a h LEU 75 N 0.94 0.11 -1.56 -2.39 3.38 -0.96 -3.23 115.31 111.61 1u4a h LEU 75 Ca 0.33 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1u4a h LEU 75 Cb 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1u4a h LEU 75 CO -0.11 1.01 0.34 -0.08 0.09 0.00 0.00 178.44 179.69 1u4a h GLU 76 N 0.03 0.56 -7.27 1.13 4.81 -0.46 -3.43 114.58 109.95 1u4a h GLU 76 Ca -0.03 -0.03 -0.42 0.00 -0.13 0.00 0.00 59.36 58.74 1u4a h GLU 76 Cb 1.66 -0.13 0.19 0.00 0.63 0.00 0.00 28.75 31.10 1u4a h GLU 76 CO 0.14 0.37 0.08 -1.64 -0.73 0.00 0.00 179.01 177.23 1u4a s MET 77 N -5.52 -0.97 0.04 1.92 -1.94 -1.01 -5.03 119.30 106.79 1u4a s MET 77 Ca -0.08 0.33 0.00 0.00 -1.71 0.00 0.00 55.69 54.22 1u4a s MET 77 Cb 0.18 -1.59 0.00 0.00 2.01 0.00 0.00 34.83 35.43 1u4a s MET 77 CO 0.74 -3.63 0.00 -1.91 -0.01 0.00 0.00 175.02 170.22 1u4a n GLU 78 N -4.77 0.00 0.16 2.03 2.13 -1.26 -5.05 120.64 113.87 1u4a n GLU 78 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1u4a n GLU 78 Cb 0.58 -0.35 0.00 0.00 0.27 0.00 0.00 31.44 31.94 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 -3.00 -1.71 -4.67 4.31 2.03 -1.26 -4.65 116.55 107.61 1u4a n ASP 79 Ca 0.00 0.58 -0.43 0.00 0.52 0.00 0.00 54.79 55.46 1u4a n ASP 79 Cb 0.26 1.73 -0.02 0.00 -0.72 0.00 0.00 41.12 42.37 1u4a n ASP 79 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1u4a s GLU 80 N -2.00 4.30 -0.25 -0.67 2.12 -1.26 -1.28 118.70 119.66 1u4a s GLU 80 Ca 0.00 1.31 -0.02 0.00 0.36 0.00 0.00 54.97 56.62 1u4a s GLU 80 Cb 0.00 -3.61 0.14 0.00 0.26 0.00 0.00 34.13 30.92 1u4a s GLU 80 CO 0.00 -0.52 0.39 0.34 -0.54 0.00 0.00 175.26 174.94 1u4a s ASP 81 N 1.18 0.15 -0.14 -1.70 2.15 -1.08 -5.02 116.67 112.21 1u4a s ASP 81 Ca 0.44 0.22 -0.08 0.00 0.43 0.00 0.00 52.55 53.57 1u4a s ASP 81 Cb -0.16 1.18 -0.04 0.00 -0.30 0.00 0.00 42.92 43.60 1u4a s ASP 81 CO 0.10 -0.30 0.13 0.42 -0.17 0.00 0.00 175.17 175.35 1u4a s THR 82 N 2.57 5.45 0.10 1.71 -4.23 -1.26 -2.07 115.64 117.91 1u4a s THR 82 Ca 0.13 0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.79 1u4a s THR 82 Cb -0.15 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.26 1u4a s THR 82 CO -0.17 0.57 0.10 0.27 -0.54 0.00 0.00 174.62 174.84 1u4a s ILE 83 N -0.63 0.14 -0.19 2.99 -4.36 -0.94 -4.30 121.20 113.90 1u4a s ILE 83 Ca 0.13 -1.63 -0.01 0.00 -0.26 0.00 0.00 60.65 58.88 1u4a s ILE 83 Cb -0.12 -1.69 0.05 0.00 1.25 0.00 0.00 42.46 41.96 1u4a s ILE 83 CO 0.02 -0.65 -0.03 -1.81 0.24 0.00 0.00 174.94 172.71 1u4a s ASP 84 N -2.95 3.12 -0.68 4.36 1.01 0.42 -1.00 116.67 120.94 1u4a s ASP 84 Ca 0.13 -0.83 -0.26 0.00 0.71 0.00 0.00 52.55 52.30 1u4a s ASP 84 Cb 0.06 -0.91 0.04 0.00 1.01 0.00 0.00 42.92 43.12 1u4a s ASP 84 CO -0.05 -0.22 1.16 0.54 0.21 0.00 0.00 175.17 176.80 1u4a s VAL 85 N 1.62 3.98 0.52 -1.27 0.11 -0.94 -1.33 120.40 123.08 1u4a s VAL 85 Ca -0.01 0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1u4a s VAL 85 Cb -0.17 -4.80 0.00 0.00 -1.53 0.00 0.00 36.38 29.89 1u4a s VAL 85 CO -0.07 -1.62 0.78 -0.36 -3.33 0.00 0.00 175.10 170.50 1u4a s PHE 86 N 5.04 3.25 -0.11 1.54 0.40 0.27 -3.27 117.98 125.10 1u4a s PHE 86 Ca 0.32 0.44 0.03 0.00 -0.60 0.00 0.00 56.93 57.13 1u4a s PHE 86 Cb -0.11 -2.51 0.00 0.00 0.51 0.00 0.00 43.02 40.92 1u4a s PHE 86 CO 0.16 -0.57 -0.22 -0.65 0.70 0.00 0.00 175.22 174.64 1u4a s GLN 87 N -4.76 2.86 0.00 0.44 -1.52 -1.26 -2.08 119.66 113.34 1u4a s GLN 87 Ca 0.51 -0.81 -0.25 0.00 -1.95 0.00 0.00 55.36 52.86 1u4a s GLN 87 Cb -0.10 -2.22 -0.18 0.00 -0.22 0.00 0.00 33.01 30.28 1u4a s GLN 87 CO 0.41 0.10 1.29 0.37 -0.25 0.00 0.00 175.29 177.22 1u4a h GLN 88 N 6.93 -0.16 -5.61 2.91 5.75 -1.89 -3.49 115.11 119.55 1u4a h GLN 88 Ca -0.24 0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.14 1u4a h GLN 88 Cb 1.22 0.04 0.03 0.00 1.07 0.00 0.00 27.48 29.84 1u4a h GLN 88 CO 0.49 0.20 -0.32 1.04 -2.65 0.00 0.00 178.83 177.59 1u4a n GLN 89 N -4.99 -1.47 0.18 1.69 6.02 -1.26 -4.95 117.38 112.59 1u4a n GLN 89 Ca -0.09 1.25 0.00 0.00 -0.01 0.00 0.00 57.00 58.15 1u4a n GLN 89 Cb 0.23 -5.23 0.00 0.00 1.02 0.00 0.00 30.24 26.25 1u4a n GLN 89 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1u4a n THR 90 N -2.24 0.00 -1.04 5.09 -2.24 -1.26 -5.15 114.28 107.44 1u4a n THR 90 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1u4a n THR 90 Cb 0.55 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.51 0.58 0.00 3.38 0.00 -1.26 -5.28 105.19 103.12 1u4a n GLY 91 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93