#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 3.10 0.09 6.41 2.15 -1.26 -5.13 116.67 122.03 1u4a s ASP 15 Ca 0.00 -0.98 0.02 0.00 0.43 0.00 0.00 52.55 52.02 1u4a s ASP 15 Cb 0.00 -0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 42.00 1u4a s ASP 15 CO 0.00 -0.34 -0.07 -1.00 -0.17 0.00 0.00 175.17 173.59 1u4a s HIS 16 N 1.87 0.86 -0.22 -5.34 3.76 -1.26 -4.66 115.29 110.30 1u4a s HIS 16 Ca 0.02 -0.86 -0.14 0.00 -0.15 0.00 0.00 55.06 53.93 1u4a s HIS 16 Cb -0.17 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.98 1u4a s HIS 16 CO -0.14 -0.14 0.31 0.96 -0.85 0.00 0.00 174.74 174.88 1u4a s ILE 17 N -3.35 5.26 -0.90 0.60 -4.36 -0.55 -4.80 121.20 113.09 1u4a s ILE 17 Ca 0.09 0.49 -0.19 0.00 -0.26 0.00 0.00 60.65 60.78 1u4a s ILE 17 Cb 0.03 -3.64 0.12 0.00 1.25 0.00 0.00 42.46 40.23 1u4a s ILE 17 CO -0.04 0.28 1.12 0.20 0.24 0.00 0.00 174.94 176.73 1u4a s ASN 18 N 1.11 6.58 -0.21 4.36 -0.87 -0.99 -3.27 114.94 121.65 1u4a s ASN 18 Ca 0.14 -1.93 -0.06 0.00 -1.57 0.00 0.00 52.86 49.45 1u4a s ASN 18 Cb -0.14 -2.40 -0.03 0.00 -0.02 0.00 0.00 41.25 38.65 1u4a s ASN 18 CO 0.07 -1.11 0.02 -0.76 -2.57 0.00 0.00 177.10 172.75 1u4a s LEU 19 N 2.87 3.36 -0.32 0.60 1.02 -1.04 -3.23 118.68 121.94 1u4a s LEU 19 Ca 0.32 -0.17 -0.20 0.00 0.02 0.00 0.00 54.13 54.10 1u4a s LEU 19 Cb -0.06 -1.86 -0.00 0.00 0.02 0.00 0.00 46.19 44.28 1u4a s LEU 19 CO -0.08 0.05 0.63 -0.54 0.02 0.00 0.00 176.35 176.44 1u4a s LYS 20 N 1.06 3.81 -0.37 1.70 1.02 -0.56 -2.94 119.74 123.47 1u4a s LYS 20 Ca 0.03 0.20 -0.13 0.00 0.02 0.00 0.00 55.97 56.08 1u4a s LYS 20 Cb -0.14 -3.76 0.01 0.00 -0.52 0.00 0.00 37.83 33.41 1u4a s LYS 20 CO 0.02 -0.63 0.25 0.08 -0.92 0.00 0.00 175.35 174.15 1u4a s VAL 21 N 2.64 5.11 -0.25 3.17 1.01 -1.00 -1.66 120.40 129.41 1u4a s VAL 21 Ca 0.25 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1u4a s VAL 21 Cb -0.15 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1u4a s VAL 21 CO 0.13 -0.16 0.17 0.00 0.00 0.00 0.00 175.10 175.24 1u4a s ALA 22 N 1.67 3.59 0.20 5.51 0.00 -0.85 -1.98 121.76 129.90 1u4a s ALA 22 Ca 0.05 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 1u4a s ALA 22 Cb -0.18 -2.36 -0.08 0.00 0.00 0.00 0.00 23.12 20.49 1u4a s ALA 22 CO 0.09 -0.27 0.90 0.20 0.00 0.00 0.00 175.76 176.69 1u4a s GLY 23 N 1.19 3.05 0.51 0.00 0.00 0.11 -1.28 107.32 110.90 1u4a s GLY 23 Ca 0.08 0.55 0.17 0.00 0.00 0.00 0.00 44.72 45.51 1u4a s GLY 23 CO 0.06 1.15 2.10 0.06 0.00 0.00 0.00 173.10 176.46 1u4a h GLN 24 N 4.40 0.08 -0.37 2.90 3.07 -1.70 -1.84 115.11 121.64 1u4a h GLN 24 Ca -0.45 -0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.34 1u4a h GLN 24 Cb 1.20 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.72 1u4a h GLN 24 CO 0.68 0.05 0.25 -0.44 0.09 0.00 0.00 178.83 179.47 1u4a h ASP 25 N 0.08 0.24 0.00 0.06 3.32 -1.93 -3.45 116.42 114.75 1u4a h ASP 25 Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1u4a h ASP 25 Cb 0.25 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1u4a h ASP 25 CO -0.01 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 1u4a n GLY 26 N -1.53 0.74 3.10 2.75 0.00 -0.70 -5.17 105.19 104.38 1u4a n GLY 26 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.73 0.45 -0.12 1.61 0.01 -1.16 -5.01 113.70 108.75 1u4a s SER 27 Ca 0.00 -1.01 -0.04 0.00 1.31 0.00 0.00 55.95 56.22 1u4a s SER 27 Cb 0.00 0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.50 1u4a s SER 27 CO 0.00 -0.62 0.10 0.68 0.41 0.00 0.00 173.24 173.80 1u4a s VAL 28 N -3.93 -0.13 -0.04 3.43 -7.23 -1.26 0.06 120.40 111.29 1u4a s VAL 28 Ca 0.09 0.08 0.04 0.00 -1.81 0.00 0.00 61.98 60.38 1u4a s VAL 28 Cb 0.08 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.57 1u4a s VAL 28 CO -0.09 -0.09 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.80 1u4a s VAL 29 N 2.18 3.15 -0.38 1.32 1.01 -0.84 -5.01 120.40 121.83 1u4a s VAL 29 Ca 0.03 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 1u4a s VAL 29 Cb -0.14 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1u4a s VAL 29 CO -0.07 0.56 0.68 -1.58 0.00 0.00 0.00 175.10 174.69 1u4a s GLN 30 N -0.83 3.60 0.26 2.72 0.74 -1.26 -2.39 119.66 122.50 1u4a s GLN 30 Ca 0.12 0.02 0.10 0.00 0.05 0.00 0.00 55.36 55.65 1u4a s GLN 30 Cb -0.11 -3.84 -0.05 0.00 1.10 0.00 0.00 33.01 30.11 1u4a s GLN 30 CO 0.01 -0.84 -0.17 -0.06 -0.55 0.00 0.00 175.29 173.69 1u4a s PHE 31 N 2.85 2.10 -0.05 1.67 0.40 -1.15 -5.02 117.98 118.77 1u4a s PHE 31 Ca 0.26 -0.44 -0.21 0.00 -0.60 0.00 0.00 56.93 55.94 1u4a s PHE 31 Cb -0.14 -0.96 0.04 0.00 0.51 0.00 0.00 43.02 42.48 1u4a s PHE 31 CO 0.17 0.58 0.48 -1.59 0.70 0.00 0.00 175.22 175.55 1u4a s LYS 32 N -3.57 0.80 0.33 0.44 -2.85 -1.26 -2.51 119.74 111.13 1u4a s LYS 32 Ca 0.28 0.10 -0.02 0.00 -1.00 0.00 0.00 55.97 55.34 1u4a s LYS 32 Cb -0.03 0.37 -0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1u4a s LYS 32 CO 0.12 -0.22 0.44 0.96 0.10 0.00 0.00 175.35 176.75 1u4a s ILE 33 N -1.05 0.00 0.26 3.79 -4.36 -1.20 -4.96 121.20 113.68 1u4a s ILE 33 Ca -0.11 -1.65 -0.15 0.00 -0.26 0.00 0.00 60.65 58.48 1u4a s ILE 33 Cb -0.03 -2.60 -0.08 0.00 1.25 0.00 0.00 42.46 40.99 1u4a s ILE 33 CO 0.06 0.00 0.67 -1.59 0.24 0.00 0.00 174.94 174.32 1u4a s LYS 34 N -3.16 4.00 -0.92 0.37 0.00 -1.26 -1.49 119.74 117.27 1u4a s LYS 34 Ca 0.32 0.60 -0.07 0.00 0.00 0.00 0.00 55.97 56.81 1u4a s LYS 34 Cb 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 37.83 35.12 1u4a s LYS 34 CO 0.21 0.27 3.06 -2.13 0.00 0.00 0.00 175.35 176.76 1u4a n ARG 35 N 0.02 3.16 -1.29 1.78 0.00 -1.26 -3.77 116.66 115.30 1u4a n ARG 35 Ca 0.01 -2.04 -0.05 0.00 -0.00 0.00 0.00 57.85 55.76 1u4a n ARG 35 Cb 0.52 -2.44 -0.03 0.00 0.00 0.00 0.00 32.46 30.51 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 2.61 -0.20 -3.69 -0.14 8.25 -1.26 -5.02 115.22 115.77 1u4a n HIS 36 Ca 0.61 -0.67 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 1u4a n HIS 36 Cb 0.49 0.52 -0.08 0.00 1.12 0.00 0.00 29.99 32.04 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 -0.06 0.04 1.11 1.59 -4.23 -1.25 -5.18 115.64 107.67 1u4a s THR 37 Ca 0.06 -0.37 -0.16 0.00 -1.18 0.00 0.00 61.69 60.04 1u4a s THR 37 Cb 0.11 -0.76 0.24 0.00 1.34 0.00 0.00 72.50 73.43 1u4a s THR 37 CO -0.04 -0.20 1.11 -2.16 -0.54 0.00 0.00 174.62 172.78 1u4a s PRO 38 N -1.49 -0.48 0.58 3.99 0.04 -1.26 -4.90 135.00 131.48 1u4a s PRO 38 Ca -0.12 0.17 0.30 0.00 0.04 0.00 0.00 61.00 61.40 1u4a s PRO 38 Cb -0.03 -1.66 1.78 0.00 0.04 0.00 0.00 34.50 34.62 1u4a s PRO 38 CO 0.04 -3.27 2.22 -0.07 0.04 0.00 0.00 177.00 175.97 1u4a h LEU 39 N -2.27 0.00 -1.36 -3.56 3.38 -1.11 -2.35 115.31 108.05 1u4a h LEU 39 Ca -0.50 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.60 1u4a h LEU 39 Cb 1.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 1u4a h LEU 39 CO 0.45 0.03 0.54 0.77 0.09 0.00 0.00 178.44 180.32 1u4a h SER 40 N 0.00 0.61 -0.26 -0.43 4.64 -0.09 0.13 113.55 118.15 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 0.08 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1u4a h SER 40 CO 0.00 0.33 0.09 0.50 -0.87 0.00 0.00 176.83 176.88 1u4a h LYS 41 N 0.65 0.40 0.12 4.77 1.63 -1.70 0.12 116.57 122.56 1u4a h LYS 41 Ca 0.41 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 60.12 1u4a h LYS 41 Cb 0.66 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1u4a h LYS 41 CO -0.17 0.45 -0.06 1.25 -3.45 0.00 0.00 179.45 177.48 1u4a h LEU 42 N 0.27 -0.13 -1.39 5.20 6.46 -1.36 -2.59 115.31 121.77 1u4a h LEU 42 Ca 0.09 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1u4a h LEU 42 Cb 0.21 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1u4a h LEU 42 CO -0.00 0.20 0.38 -0.03 -0.62 0.00 0.00 178.44 178.36 1u4a h MET 43 N -0.48 0.79 0.78 1.25 4.05 -0.79 0.12 114.93 120.64 1u4a h MET 43 Ca -0.02 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.31 1u4a h MET 43 Cb 0.39 -0.17 0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1u4a h MET 43 CO 0.03 0.54 -0.37 0.87 0.23 0.00 0.00 176.91 178.20 1u4a h LYS 44 N 0.81 -1.00 -0.71 0.39 1.57 -0.71 0.60 116.57 117.52 1u4a h LYS 44 Ca 0.22 0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1u4a h LYS 44 Cb -0.07 0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1u4a h LYS 44 CO -0.04 -0.65 0.32 0.00 -0.57 0.00 0.00 179.45 178.50 1u4a h ALA 45 N -1.07 1.23 -0.45 3.86 0.00 -1.35 0.78 119.26 122.25 1u4a h ALA 45 Ca -0.11 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1u4a h ALA 45 Cb 0.81 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1u4a h ALA 45 CO 0.17 0.58 -0.09 -0.92 0.00 0.00 0.00 179.25 178.99 1u4a h TYR 46 N 1.01 0.88 0.03 0.00 3.20 -0.74 0.10 116.97 121.45 1u4a h TYR 46 Ca 0.24 -0.16 -0.23 0.00 3.14 0.00 0.00 58.73 61.72 1u4a h TYR 46 Cb 0.14 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1u4a h TYR 46 CO 0.01 0.86 -1.11 0.77 -1.64 0.00 0.00 178.16 177.05 1u4a h SER 47 N 0.73 0.11 0.03 -2.11 0.02 -0.52 -3.13 113.55 108.68 1u4a h SER 47 Ca 0.13 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1u4a h SER 47 Cb 0.58 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1u4a h SER 47 CO 0.04 1.10 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.73 1u4a h GLU 48 N 0.02 -0.04 -0.67 3.45 4.81 -0.76 0.07 114.58 121.46 1u4a h GLU 48 Ca -0.06 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.31 1u4a h GLU 48 Cb 1.84 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.19 1u4a h GLU 48 CO 0.15 0.36 0.45 -0.09 -0.73 0.00 0.00 179.01 179.15 1u4a h ARG 49 N -0.99 0.32 0.13 1.92 1.12 -1.15 -2.70 114.38 113.03 1u4a h ARG 49 Ca -0.00 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 1u4a h ARG 49 Cb 0.42 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.31 1u4a h ARG 49 CO 0.01 0.21 -0.06 0.37 -3.11 0.00 0.00 179.97 177.38 1u4a h GLN 50 N 0.33 -0.17 0.00 0.20 4.15 -1.66 -3.49 115.11 114.47 1u4a h GLN 50 Ca 0.32 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.75 1u4a h GLN 50 Cb 0.80 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1u4a h GLN 50 CO -0.08 0.26 0.00 0.41 -1.93 0.00 0.00 178.83 177.49 1u4a n GLY 51 N 0.87 -0.01 0.00 2.39 0.00 -0.96 -5.11 105.19 102.37 1u4a n GLY 51 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.56 0.99 4.77 -0.03 -4.98 117.00 113.18 1u4a n LEU 52 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 1u4a n LEU 52 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1u4a n LEU 52 CO 0.00 -0.76 -0.40 -0.44 -1.33 0.00 0.00 177.39 174.46 1u4a s SER 53 N -1.43 4.11 -0.32 -1.43 0.01 -1.26 -4.60 113.70 108.78 1u4a s SER 53 Ca 0.00 -0.80 0.03 0.00 1.31 0.00 0.00 55.95 56.49 1u4a s SER 53 Cb 0.00 -0.60 0.49 0.00 0.21 0.00 0.00 66.02 66.12 1u4a s SER 53 CO 0.00 0.03 1.66 0.80 0.41 0.00 0.00 173.24 176.14 1u4a n MET 54 N -0.70 1.96 0.00 12.44 1.56 -1.26 -3.92 117.12 127.20 1u4a n MET 54 Ca -0.06 -2.19 0.00 0.00 -0.27 0.00 0.00 57.70 55.17 1u4a n MET 54 Cb 0.59 -1.86 0.00 0.00 2.15 0.00 0.00 33.22 34.10 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 -0.67 0.63 -2.75 2.12 1.85 -1.26 -4.94 116.66 111.64 1u4a n ARG 55 Ca 0.43 -0.65 -0.05 0.00 -1.00 0.00 0.00 57.85 56.59 1u4a n ARG 55 Cb 1.35 -0.69 0.02 0.00 -1.05 0.00 0.00 32.46 32.09 1u4a n ARG 55 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1u4a n GLN 56 N -0.13 0.57 -3.83 2.89 7.27 -1.25 -5.15 117.38 117.75 1u4a n GLN 56 Ca 0.00 -1.91 -0.10 0.00 0.07 0.00 0.00 57.00 55.06 1u4a n GLN 56 Cb 0.32 -1.40 -0.08 0.00 2.41 0.00 0.00 30.24 31.50 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 0.83 0.11 0.05 1.69 -1.09 -1.26 -4.80 121.20 116.73 1u4a s ILE 57 Ca 0.30 -0.93 -0.27 0.00 -2.23 0.00 0.00 60.65 57.53 1u4a s ILE 57 Cb 0.06 -1.01 0.07 0.00 -1.58 0.00 0.00 42.46 40.00 1u4a s ILE 57 CO -0.10 -0.51 0.63 0.00 -1.23 0.00 0.00 174.94 173.73 1u4a s ARG 58 N -2.86 1.15 0.21 2.79 1.70 -1.06 -4.95 118.95 115.93 1u4a s ARG 58 Ca -0.03 -0.11 0.11 0.00 -0.47 0.00 0.00 55.73 55.23 1u4a s ARG 58 Cb 0.00 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.87 1u4a s ARG 58 CO -0.05 -0.44 -0.23 -0.06 -1.08 0.00 0.00 175.30 173.44 1u4a s PHE 59 N -2.45 2.25 -0.09 5.89 0.40 -1.17 -1.21 117.98 121.59 1u4a s PHE 59 Ca -0.05 -0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1u4a s PHE 59 Cb -0.01 -1.09 0.05 0.00 0.51 0.00 0.00 43.02 42.49 1u4a s PHE 59 CO -0.01 0.53 0.17 1.03 0.70 0.00 0.00 175.22 177.63 1u4a s ARG 60 N -2.85 0.04 -0.51 0.44 1.81 0.58 -1.23 118.95 117.22 1u4a s ARG 60 Ca 0.22 0.55 -0.10 0.00 -1.72 0.00 0.00 55.73 54.68 1u4a s ARG 60 Cb -0.07 -0.33 0.13 0.00 -0.45 0.00 0.00 34.95 34.23 1u4a s ARG 60 CO 0.11 -0.33 0.40 0.12 -0.68 0.00 0.00 175.30 174.92 1u4a s PHE 61 N 2.30 3.42 -1.48 -0.53 5.36 -1.00 -0.17 117.98 125.88 1u4a s PHE 61 Ca 0.03 -1.83 -0.12 0.00 -0.96 0.00 0.00 56.93 54.05 1u4a s PHE 61 Cb -0.12 -3.55 0.06 0.00 -0.34 0.00 0.00 43.02 39.06 1u4a s PHE 61 CO -0.06 -0.99 0.95 -0.25 -1.46 0.00 0.00 175.22 173.40 1u4a n ASP 62 N 4.83 -5.20 0.00 6.13 8.00 -1.26 -1.66 116.55 127.38 1u4a n ASP 62 Ca -0.07 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1u4a n ASP 62 Cb 0.41 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 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 -1.70 0.70 3.06 0.44 0.00 -1.26 -5.04 105.19 101.39 1u4a n GLY 63 Ca 0.02 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.73 2.24 -0.24 1.61 -0.21 -0.66 -5.07 119.66 115.59 1u4a s GLN 64 Ca 0.00 -2.38 -0.34 0.00 0.02 0.00 0.00 55.36 52.67 1u4a s GLN 64 Cb 0.00 -3.56 -0.10 0.00 1.00 0.00 0.00 33.01 30.34 1u4a s GLN 64 CO 0.00 -1.12 2.09 -2.30 -2.12 0.00 0.00 175.29 171.83 1u4a n PRO 65 N 3.65 1.60 -4.77 2.91 -0.02 -1.26 -2.38 135.00 134.72 1u4a n PRO 65 Ca 0.05 0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 1u4a n PRO 65 Cb 0.37 -2.67 -0.13 0.00 -0.02 0.00 0.00 33.50 31.05 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 6.41 2.68 0.57 4.25 -4.36 -0.37 -5.01 121.20 125.37 1u4a s ILE 66 Ca 1.02 -1.14 0.01 0.00 -0.26 0.00 0.00 60.65 60.28 1u4a s ILE 66 Cb -0.71 -2.09 0.04 0.00 1.25 0.00 0.00 42.46 40.95 1u4a s ILE 66 CO 0.48 0.39 0.80 0.20 0.24 0.00 0.00 174.94 177.05 1u4a s ASN 67 N -1.25 5.20 0.00 4.36 -0.87 -1.26 -3.05 114.94 118.06 1u4a s ASN 67 Ca 0.13 -0.00 0.24 0.00 -1.57 0.00 0.00 52.86 51.66 1u4a s ASN 67 Cb -0.10 -0.84 1.32 0.00 -0.02 0.00 0.00 41.25 41.60 1u4a s ASN 67 CO 0.04 -1.21 1.80 -1.84 -2.57 0.00 0.00 177.10 173.32 1u4a n GLU 68 N -2.40 0.53 -0.66 -0.60 0.00 -1.26 -3.02 120.64 113.23 1u4a n GLU 68 Ca 0.08 0.04 0.06 0.00 0.00 0.00 0.00 57.16 57.34 1u4a n GLU 68 Cb 0.60 -1.50 0.32 0.00 0.00 0.00 0.00 31.44 30.86 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 1.99 -1.44 3.84 -2.24 -1.26 0.61 114.28 114.61 1u4a n THR 69 Ca 0.14 -1.08 -0.31 0.00 -2.27 0.00 0.00 64.05 60.53 1u4a n THR 69 Cb 0.14 -0.19 0.07 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.70 5.01 0.22 3.42 2.15 -1.17 -4.82 116.67 120.78 1u4a s ASP 70 Ca 0.44 1.69 0.00 0.00 0.43 0.00 0.00 52.55 55.11 1u4a s ASP 70 Cb 0.32 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1u4a s ASP 70 CO 0.16 -1.69 0.00 0.41 -0.17 0.00 0.00 175.17 173.88 1u4a n THR 71 N -3.29 0.00 -0.13 1.71 -1.04 -1.26 -0.90 114.28 109.36 1u4a n THR 71 Ca 0.08 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1u4a n THR 71 Cb 0.53 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.06 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 -0.02 -0.68 -2.82 0.11 -1.97 -0.99 132.00 125.63 1u4a h PRO 72 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1u4a h PRO 72 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1u4a h PRO 72 CO 0.00 -0.01 0.32 0.00 -0.21 0.00 0.00 178.00 178.09 1u4a h ALA 73 N 1.39 1.27 0.00 -0.75 0.00 -1.99 -1.84 119.26 117.34 1u4a h ALA 73 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1u4a h ALA 73 Cb 0.33 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1u4a h ALA 73 CO -0.45 0.56 -0.07 0.37 0.00 0.00 0.00 179.25 179.65 1u4a h GLN 74 N 0.97 0.00 0.10 0.00 5.75 -1.51 -1.95 115.11 118.47 1u4a h GLN 74 Ca 0.24 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.48 1u4a h GLN 74 Cb 0.12 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.67 1u4a h GLN 74 CO -0.03 0.07 -1.17 1.25 -2.65 0.00 0.00 178.83 176.31 1u4a h LEU 75 N 0.00 0.38 -0.14 -2.39 5.85 -0.53 -3.33 115.31 115.16 1u4a h LEU 75 Ca -0.00 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1u4a h LEU 75 Cb 0.16 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1u4a h LEU 75 CO 0.01 1.29 0.02 -0.33 -0.34 0.00 0.00 178.44 179.08 1u4a h GLU 76 N 0.08 0.24 -4.67 1.25 4.39 -1.07 -3.40 114.58 111.39 1u4a h GLU 76 Ca -0.11 -0.07 -0.69 0.00 0.34 0.00 0.00 59.36 58.84 1u4a h GLU 76 Cb 1.89 -0.03 -0.19 0.00 -0.10 0.00 0.00 28.75 30.32 1u4a h GLU 76 CO 0.19 0.43 -0.46 0.00 -1.16 0.00 0.00 179.01 178.01 1u4a s MET 77 N -5.13 3.38 -0.45 2.33 0.23 -0.88 -4.97 119.30 113.81 1u4a s MET 77 Ca -0.14 -0.72 0.07 0.00 -1.03 0.00 0.00 55.69 53.87 1u4a s MET 77 Cb 0.06 -3.85 0.25 0.00 -1.53 0.00 0.00 34.83 29.76 1u4a s MET 77 CO 0.71 -0.51 0.76 -0.85 -2.03 0.00 0.00 175.02 173.10 1u4a n GLU 78 N 5.13 0.76 0.01 3.16 -0.00 -1.26 -4.74 120.64 123.69 1u4a n GLU 78 Ca -0.12 -2.28 0.00 0.00 -0.00 0.00 0.00 57.16 54.76 1u4a n GLU 78 Cb 0.49 -1.37 0.00 0.00 -0.00 0.00 0.00 31.44 30.56 1u4a n GLU 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1u4a n ASP 79 N 1.52 -0.10 -3.43 -1.84 -0.08 -1.26 -4.81 116.55 106.55 1u4a n ASP 79 Ca 0.13 0.04 -0.24 0.00 -1.51 0.00 0.00 54.79 53.21 1u4a n ASP 79 Cb 0.60 0.29 -0.11 0.00 2.34 0.00 0.00 41.12 44.23 1u4a n ASP 79 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1u4a s GLU 80 N -1.06 0.51 0.01 -0.67 2.12 -1.26 -2.35 118.70 116.01 1u4a s GLU 80 Ca 0.00 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.35 1u4a s GLU 80 Cb 0.00 -1.05 -0.01 0.00 0.26 0.00 0.00 34.13 33.33 1u4a s GLU 80 CO 0.00 -1.17 -0.02 0.34 -0.54 0.00 0.00 175.26 173.87 1u4a s ASP 81 N 1.42 0.21 0.09 -1.70 2.15 -1.20 -5.06 116.67 112.59 1u4a s ASP 81 Ca 0.16 -0.33 0.10 0.00 0.43 0.00 0.00 52.55 52.91 1u4a s ASP 81 Cb -0.19 0.06 -0.04 0.00 -0.30 0.00 0.00 42.92 42.45 1u4a s ASP 81 CO -0.08 -0.18 -0.25 0.42 -0.17 0.00 0.00 175.17 174.90 1u4a s THR 82 N -0.93 2.31 0.23 1.71 -4.23 -1.26 -1.50 115.64 111.96 1u4a s THR 82 Ca -0.10 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1u4a s THR 82 Cb -0.06 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 1u4a s THR 82 CO -0.01 0.21 0.04 -0.63 -0.54 0.00 0.00 174.62 173.69 1u4a s ILE 83 N -0.97 0.77 -0.42 2.99 1.09 -0.67 -4.87 121.20 119.12 1u4a s ILE 83 Ca 0.14 -2.00 0.00 0.00 -1.10 0.00 0.00 60.65 57.68 1u4a s ILE 83 Cb -0.10 -2.41 0.12 0.00 -1.06 0.00 0.00 42.46 39.00 1u4a s ILE 83 CO 0.05 -0.23 0.19 -0.62 -0.10 0.00 0.00 174.94 174.22 1u4a s ASP 84 N -3.28 4.99 -0.37 3.58 -1.08 0.76 -2.01 116.67 119.26 1u4a s ASP 84 Ca 0.31 -2.29 -0.28 0.00 -0.52 0.00 0.00 52.55 49.77 1u4a s ASP 84 Cb 0.07 -1.74 0.02 0.00 -1.46 0.00 0.00 42.92 39.80 1u4a s ASP 84 CO 0.09 -0.43 1.04 0.54 0.52 0.00 0.00 175.17 176.93 1u4a s VAL 85 N 0.75 4.47 -0.18 1.11 0.11 -0.41 -0.31 120.40 125.95 1u4a s VAL 85 Ca 0.11 1.44 -0.11 0.00 -2.93 0.00 0.00 61.98 60.49 1u4a s VAL 85 Cb -0.22 -4.43 -0.05 0.00 -1.53 0.00 0.00 36.38 30.15 1u4a s VAL 85 CO -0.05 -0.62 0.18 -0.36 -3.33 0.00 0.00 175.10 170.92 1u4a s PHE 86 N 3.77 3.45 -0.49 1.54 0.40 -0.35 -2.01 117.98 124.30 1u4a s PHE 86 Ca 0.44 0.44 0.02 0.00 -0.60 0.00 0.00 56.93 57.23 1u4a s PHE 86 Cb -0.11 -2.19 0.57 0.00 0.51 0.00 0.00 43.02 41.80 1u4a s PHE 86 CO 0.20 0.34 1.92 1.04 0.70 0.00 0.00 175.22 179.42 1u4a n GLN 87 N 3.31 2.31 -0.91 0.44 3.00 -1.26 -2.56 117.38 121.72 1u4a n GLN 87 Ca -0.15 -2.93 0.04 0.00 -0.01 0.00 0.00 57.00 53.95 1u4a n GLN 87 Cb 0.52 -2.15 -0.02 0.00 0.00 0.00 0.00 30.24 28.59 1u4a n GLN 87 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1u4a n GLN 88 N -0.97 -2.29 -2.47 -1.09 -0.06 -1.26 -4.90 117.38 104.35 1u4a n GLN 88 Ca 0.58 1.81 -0.37 0.00 -2.00 0.00 0.00 57.00 57.01 1u4a n GLN 88 Cb 1.30 -2.37 -0.03 0.00 -4.06 0.00 0.00 30.24 25.08 1u4a n GLN 88 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1u4a s GLN 89 N -4.47 4.19 -0.42 3.69 0.00 -1.26 -5.03 119.66 116.36 1u4a s GLN 89 Ca 0.00 1.63 0.03 0.00 -0.00 0.00 0.00 55.36 57.02 1u4a s GLN 89 Cb 0.00 -2.66 0.16 0.00 0.00 0.00 0.00 33.01 30.51 1u4a s GLN 89 CO 0.00 -0.15 0.31 0.99 0.00 0.00 0.00 175.29 176.44 1u4a s THR 90 N -1.53 0.65 0.00 3.63 2.01 -1.26 -5.11 115.64 114.03 1u4a s THR 90 Ca 0.56 -2.52 0.00 0.00 0.31 0.00 0.00 61.69 60.04 1u4a s THR 90 Cb -0.26 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.80 1u4a s THR 90 CO 0.32 -1.10 0.00 0.61 -0.69 0.00 0.00 174.62 173.76 1u4a n GLY 91 N 3.19 -0.61 0.00 4.40 0.00 -1.26 -5.30 105.19 105.61 1u4a n GLY 91 Ca 0.21 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93