#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 2.43 -0.20 6.41 1.47 -1.26 -5.15 116.67 120.37 1u4a s ASP 15 Ca 0.00 -0.65 -0.27 0.00 1.18 0.00 0.00 52.55 52.81 1u4a s ASP 15 Cb 0.00 -0.14 0.08 0.00 -0.34 0.00 0.00 42.92 42.52 1u4a s ASP 15 CO 0.00 0.06 0.74 -1.00 0.68 0.00 0.00 175.17 175.65 1u4a s HIS 16 N -1.11 -0.71 -0.13 2.11 3.76 -1.26 -4.85 115.29 113.10 1u4a s HIS 16 Ca 0.06 1.57 -0.18 0.00 -0.15 0.00 0.00 55.06 56.36 1u4a s HIS 16 Cb -0.10 0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.88 1u4a s HIS 16 CO 0.04 -0.44 0.45 0.96 -0.85 0.00 0.00 174.74 174.90 1u4a s ILE 17 N -0.19 5.20 -0.25 0.60 -4.36 0.02 -4.83 121.20 117.39 1u4a s ILE 17 Ca -0.03 0.89 -0.27 0.00 -0.26 0.00 0.00 60.65 60.98 1u4a s ILE 17 Cb -0.03 -3.79 0.00 0.00 1.25 0.00 0.00 42.46 39.89 1u4a s ILE 17 CO 0.03 0.32 0.94 0.20 0.24 0.00 0.00 174.94 176.68 1u4a s ASN 18 N 0.64 6.96 -0.09 4.36 -0.87 -1.25 -3.10 114.94 121.60 1u4a s ASN 18 Ca 0.24 1.18 0.01 0.00 -1.57 0.00 0.00 52.86 52.72 1u4a s ASN 18 Cb -0.15 -2.49 0.02 0.00 -0.02 0.00 0.00 41.25 38.61 1u4a s ASN 18 CO 0.09 -0.62 -0.09 -0.76 -2.57 0.00 0.00 177.10 173.16 1u4a s LEU 19 N 3.07 1.35 -0.36 0.60 1.02 -1.15 -2.78 118.68 120.43 1u4a s LEU 19 Ca 0.40 -0.28 -0.08 0.00 0.02 0.00 0.00 54.13 54.19 1u4a s LEU 19 Cb -0.15 -0.78 0.05 0.00 0.02 0.00 0.00 46.19 45.32 1u4a s LEU 19 CO 0.07 -0.06 0.16 -0.54 0.02 0.00 0.00 176.35 176.01 1u4a s LYS 20 N 1.24 2.65 -0.40 1.70 3.01 -1.03 -2.23 119.74 124.68 1u4a s LYS 20 Ca -0.04 -1.22 -0.28 0.00 -1.01 0.00 0.00 55.97 53.42 1u4a s LYS 20 Cb -0.14 -3.58 0.02 0.00 -1.01 0.00 0.00 37.83 33.12 1u4a s LYS 20 CO -0.03 -0.73 1.06 0.08 0.51 0.00 0.00 175.35 176.24 1u4a s VAL 21 N 1.44 4.40 -0.46 3.17 1.01 -1.04 -2.79 120.40 126.12 1u4a s VAL 21 Ca 0.00 1.37 -0.14 0.00 0.00 0.00 0.00 61.98 63.21 1u4a s VAL 21 Cb -0.20 -4.48 0.07 0.00 0.00 0.00 0.00 36.38 31.77 1u4a s VAL 21 CO 0.03 -0.73 0.36 0.00 0.00 0.00 0.00 175.10 174.77 1u4a s ALA 22 N 3.95 3.50 0.35 5.51 0.00 -0.34 -3.04 121.76 131.70 1u4a s ALA 22 Ca 0.45 -2.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.06 1u4a s ALA 22 Cb -0.10 -2.98 -0.10 0.00 0.00 0.00 0.00 23.12 19.94 1u4a s ALA 22 CO 0.23 -1.70 0.93 0.20 0.00 0.00 0.00 175.76 175.42 1u4a s GLY 23 N 2.48 2.65 0.60 0.00 0.00 0.17 -2.18 107.32 111.04 1u4a s GLY 23 Ca 0.04 0.45 0.30 0.00 0.00 0.00 0.00 44.72 45.51 1u4a s GLY 23 CO 0.06 0.83 2.10 0.06 0.00 0.00 0.00 173.10 176.15 1u4a h GLN 24 N 2.77 0.00 -1.45 2.90 3.07 -1.84 -2.04 115.11 118.52 1u4a h GLN 24 Ca -0.48 0.00 -0.41 0.00 0.09 0.00 0.00 58.65 57.86 1u4a h GLN 24 Cb 1.19 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.58 1u4a h GLN 24 CO 0.64 0.00 0.51 -3.47 0.09 0.00 0.00 178.83 176.60 1u4a n ASP 25 N -3.64 6.73 -3.60 0.06 2.03 -1.26 -4.81 116.55 112.05 1u4a n ASP 25 Ca 0.01 -3.22 -0.26 0.00 0.52 0.00 0.00 54.79 51.84 1u4a n ASP 25 Cb 0.32 -1.05 0.05 0.00 -0.72 0.00 0.00 41.12 39.72 1u4a n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u4a n GLY 26 N 0.13 -0.53 3.48 0.27 0.00 -0.79 -4.96 105.19 102.78 1u4a n GLY 26 Ca 0.38 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.19 5.84 -0.35 1.61 0.15 -1.06 -4.94 113.70 111.77 1u4a s SER 27 Ca 0.56 -0.55 0.03 0.00 0.70 0.00 0.00 55.95 56.69 1u4a s SER 27 Cb -0.26 -2.08 0.10 0.00 -1.71 0.00 0.00 66.02 62.07 1u4a s SER 27 CO 0.70 -0.25 0.08 -0.69 1.20 0.00 0.00 173.24 174.28 1u4a s VAL 28 N 1.66 2.04 -0.05 4.45 1.01 -1.26 0.43 120.40 128.68 1u4a s VAL 28 Ca 0.05 -2.27 0.04 0.00 0.00 0.00 0.00 61.98 59.80 1u4a s VAL 28 Cb -0.18 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 1u4a s VAL 28 CO 0.09 -0.64 -0.16 -0.69 0.00 0.00 0.00 175.10 173.70 1u4a s VAL 29 N 0.92 1.35 0.34 2.92 1.01 -1.17 -5.03 120.40 120.73 1u4a s VAL 29 Ca 0.11 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1u4a s VAL 29 Cb -0.19 -1.17 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 1u4a s VAL 29 CO -0.10 0.39 0.79 -1.58 0.00 0.00 0.00 175.10 174.60 1u4a s GLN 30 N 0.13 4.08 -0.20 2.72 0.74 -1.26 -2.50 119.66 123.38 1u4a s GLN 30 Ca -0.05 0.80 -0.13 0.00 0.05 0.00 0.00 55.36 56.02 1u4a s GLN 30 Cb -0.12 -2.41 0.06 0.00 1.10 0.00 0.00 33.01 31.64 1u4a s GLN 30 CO 0.02 0.13 0.51 0.12 -0.55 0.00 0.00 175.29 175.52 1u4a s PHE 31 N -1.99 -0.70 0.15 1.67 2.19 -0.95 -4.98 117.98 113.38 1u4a s PHE 31 Ca 0.55 1.51 -0.06 0.00 0.33 0.00 0.00 56.93 59.27 1u4a s PHE 31 Cb -0.11 0.33 -0.06 0.00 -1.31 0.00 0.00 43.02 41.88 1u4a s PHE 31 CO 0.17 -0.37 0.40 0.21 1.83 0.00 0.00 175.22 177.47 1u4a s LYS 32 N 1.13 3.66 -0.07 10.12 2.47 -1.26 -2.93 119.74 132.85 1u4a s LYS 32 Ca -0.07 -0.01 -0.26 0.00 -1.56 0.00 0.00 55.97 54.07 1u4a s LYS 32 Cb -0.06 -2.83 0.06 0.00 -1.46 0.00 0.00 37.83 33.54 1u4a s LYS 32 CO -0.11 0.45 0.58 -1.50 0.16 0.00 0.00 175.35 174.94 1u4a s ILE 33 N -1.67 0.01 0.78 5.43 1.10 -1.18 -5.01 121.20 120.67 1u4a s ILE 33 Ca 0.41 -0.11 -0.12 0.00 -0.51 0.00 0.00 60.65 60.33 1u4a s ILE 33 Cb -0.12 -0.89 0.06 0.00 0.15 0.00 0.00 42.46 41.66 1u4a s ILE 33 CO 0.24 -0.06 1.11 -1.59 -2.11 0.00 0.00 174.94 172.52 1u4a s LYS 34 N -1.00 2.20 -0.80 3.50 -2.85 -1.26 -0.80 119.74 118.72 1u4a s LYS 34 Ca -0.10 0.50 -0.02 0.00 -1.00 0.00 0.00 55.97 55.35 1u4a s LYS 34 Cb -0.02 -1.94 0.37 0.00 -2.06 0.00 0.00 37.83 34.17 1u4a s LYS 34 CO 0.07 -1.51 1.97 -2.13 0.10 0.00 0.00 175.35 173.86 1u4a n ARG 35 N -3.33 2.79 -1.55 1.78 0.00 -1.26 -4.32 116.66 110.76 1u4a n ARG 35 Ca 0.07 -3.55 -0.04 0.00 -0.00 0.00 0.00 57.85 54.33 1u4a n ARG 35 Cb 0.57 -2.27 -0.01 0.00 0.00 0.00 0.00 32.46 30.76 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 -0.58 -0.40 -3.70 -0.14 8.25 -1.26 -5.03 115.22 112.36 1u4a n HIS 36 Ca 0.54 -0.87 -0.14 0.00 -0.26 0.00 0.00 57.72 56.99 1u4a n HIS 36 Cb 0.30 0.61 -0.08 0.00 1.12 0.00 0.00 29.99 31.94 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 -0.18 0.04 1.01 1.59 -4.23 -1.26 -5.18 115.64 107.43 1u4a s THR 37 Ca 0.08 -0.32 -0.13 0.00 -1.18 0.00 0.00 61.69 60.15 1u4a s THR 37 Cb 0.18 -0.71 0.20 0.00 1.34 0.00 0.00 72.50 73.50 1u4a s THR 37 CO -0.06 -0.17 1.10 -2.16 -0.54 0.00 0.00 174.62 172.79 1u4a s PRO 38 N -1.18 0.30 0.64 3.99 0.04 -1.26 -4.90 135.00 132.63 1u4a s PRO 38 Ca -0.12 0.44 0.36 0.00 0.04 0.00 0.00 61.00 61.72 1u4a s PRO 38 Cb -0.04 -1.73 2.01 0.00 0.04 0.00 0.00 34.50 34.78 1u4a s PRO 38 CO 0.05 -2.80 2.22 -0.07 0.04 0.00 0.00 177.00 176.44 1u4a h LEU 39 N -1.94 0.00 -1.08 -3.56 3.38 -1.53 -2.13 115.31 108.45 1u4a h LEU 39 Ca -0.54 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.65 1u4a h LEU 39 Cb 1.33 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.97 1u4a h LEU 39 CO 0.57 0.00 0.61 -1.28 0.09 0.00 0.00 178.44 178.44 1u4a h SER 40 N 0.00 0.68 -0.39 -0.43 0.87 -1.80 0.13 113.55 112.60 1u4a h SER 40 Ca 0.02 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1u4a h SER 40 Cb 0.23 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1u4a h SER 40 CO -0.00 0.18 0.23 0.11 -0.53 0.00 0.00 176.83 176.81 1u4a h LYS 41 N 0.62 0.44 -0.08 2.24 1.79 -1.70 0.26 116.57 120.14 1u4a h LYS 41 Ca 0.60 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 59.00 1u4a h LYS 41 Cb 1.13 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1u4a h LYS 41 CO -0.39 0.29 -0.12 1.25 -1.08 0.00 0.00 179.45 179.40 1u4a h LEU 42 N 0.46 0.25 -0.67 2.94 5.85 -1.20 -2.59 115.31 120.34 1u4a h LEU 42 Ca 0.16 -0.53 0.04 0.00 0.84 0.00 0.00 57.88 58.39 1u4a h LEU 42 Cb 0.02 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1u4a h LEU 42 CO -0.08 0.73 0.40 -0.03 -0.34 0.00 0.00 178.44 179.12 1u4a h MET 43 N -0.22 0.75 0.08 1.25 4.05 -0.70 0.53 114.93 120.66 1u4a h MET 43 Ca 0.01 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1u4a h MET 43 Cb 0.67 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1u4a h MET 43 CO 0.03 0.50 -0.04 0.87 0.23 0.00 0.00 176.91 178.50 1u4a h LYS 44 N 0.78 -0.10 -0.22 0.39 1.57 -0.52 0.19 116.57 118.66 1u4a h LYS 44 Ca 0.28 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1u4a h LYS 44 Cb 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1u4a h LYS 44 CO -0.13 -0.03 -0.07 0.00 -0.57 0.00 0.00 179.45 178.65 1u4a h ALA 45 N 0.79 0.31 -0.41 3.86 0.00 -1.17 0.01 119.26 122.66 1u4a h ALA 45 Ca -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1u4a h ALA 45 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1u4a h ALA 45 CO 0.02 0.11 0.21 -0.92 0.00 0.00 0.00 179.25 178.67 1u4a h TYR 46 N 0.17 0.57 -0.32 0.00 3.20 0.10 0.51 116.97 121.20 1u4a h TYR 46 Ca 0.06 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 1u4a h TYR 46 Cb 0.53 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1u4a h TYR 46 CO 0.05 0.46 -0.39 1.03 -1.64 0.00 0.00 178.16 177.67 1u4a h SER 47 N 0.52 0.79 -0.00 -2.11 0.87 -0.63 -2.80 113.55 110.20 1u4a h SER 47 Ca 0.14 -0.35 -0.19 0.00 -1.23 0.00 0.00 61.79 60.15 1u4a h SER 47 Cb 0.09 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1u4a h SER 47 CO -0.02 1.09 -0.69 -0.08 -0.53 0.00 0.00 176.83 176.60 1u4a h GLU 48 N 0.61 0.64 -0.29 2.24 4.81 -0.78 -2.43 114.58 119.38 1u4a h GLU 48 Ca 0.05 -0.48 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 1u4a h GLU 48 Cb 0.93 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1u4a h GLU 48 CO 0.09 1.10 -0.02 -0.09 -0.73 0.00 0.00 179.01 179.36 1u4a h ARG 49 N 0.45 0.45 0.00 1.92 2.43 0.07 -3.35 114.38 116.36 1u4a h ARG 49 Ca -0.03 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1u4a h ARG 49 Cb 1.28 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1u4a h ARG 49 CO 0.13 0.49 0.00 1.04 -1.51 0.00 0.00 179.97 180.13 1u4a n GLN 50 N -4.29 0.00 0.00 0.20 6.02 -1.06 -5.04 117.38 113.21 1u4a n GLN 50 Ca 0.01 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1u4a n GLN 50 Cb 0.24 -0.71 0.00 0.00 1.02 0.00 0.00 30.24 30.79 1u4a n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u4a n GLY 51 N 2.24 0.00 0.00 1.08 0.00 -0.95 -5.12 105.19 102.44 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 0.00 0.99 4.77 -1.00 -5.08 117.00 116.68 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 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1u4a n LEU 52 CO 0.00 -0.00 -0.10 -0.24 -1.33 0.00 0.00 177.39 175.71 1u4a n SER 53 N -0.05 -0.47 -2.23 -1.43 2.88 -1.26 -4.83 113.62 106.23 1u4a n SER 53 Ca 0.00 -3.14 -0.25 0.00 -1.33 0.00 0.00 58.87 54.15 1u4a n SER 53 Cb 0.00 1.56 0.17 0.00 -0.75 0.00 0.00 64.21 65.20 1u4a n SER 53 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1u4a n MET 54 N -0.65 2.28 0.00 -1.46 0.00 -1.26 -4.15 117.12 111.87 1u4a n MET 54 Ca 0.06 -3.03 0.00 0.00 0.00 0.00 0.00 57.70 54.73 1u4a n MET 54 Cb 0.59 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.63 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 -1.14 -0.70 -2.76 0.03 5.12 -1.26 -4.90 116.66 111.06 1u4a n ARG 55 Ca 0.60 -0.41 -0.05 0.00 -1.93 0.00 0.00 57.85 56.06 1u4a n ARG 55 Cb 1.62 -0.89 0.02 0.00 -1.16 0.00 0.00 32.46 32.05 1u4a n ARG 55 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1u4a n GLN 56 N -0.01 0.58 -3.93 5.56 7.27 -1.26 -5.15 117.38 120.45 1u4a n GLN 56 Ca 0.00 -1.95 -0.09 0.00 0.07 0.00 0.00 57.00 55.03 1u4a n GLN 56 Cb 0.06 -1.44 -0.09 0.00 2.41 0.00 0.00 30.24 31.18 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 0.14 -0.27 1.69 -1.09 -1.26 -4.72 121.20 116.53 1u4a s ILE 57 Ca 0.30 -1.19 -0.13 0.00 -2.23 0.00 0.00 60.65 57.40 1u4a s ILE 57 Cb 0.05 -1.08 0.09 0.00 -1.58 0.00 0.00 42.46 39.94 1u4a s ILE 57 CO -0.10 -0.66 0.63 -0.60 -1.23 0.00 0.00 174.94 172.99 1u4a s ARG 58 N -3.06 0.62 0.01 2.79 6.06 -0.85 -4.97 118.95 119.55 1u4a s ARG 58 Ca -0.01 1.23 0.04 0.00 -2.50 0.00 0.00 55.73 54.49 1u4a s ARG 58 Cb 0.01 0.33 -0.03 0.00 0.06 0.00 0.00 34.95 35.32 1u4a s ARG 58 CO -0.07 -0.17 -0.10 -0.06 -2.50 0.00 0.00 175.30 172.40 1u4a s PHE 59 N 2.00 2.78 -0.03 5.12 0.08 -1.22 0.42 117.98 127.13 1u4a s PHE 59 Ca -0.08 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 56.88 1u4a s PHE 59 Cb -0.08 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 1u4a s PHE 59 CO -0.19 0.32 -0.10 1.03 -0.10 0.00 0.00 175.22 176.19 1u4a s ARG 60 N -1.37 1.03 -0.21 0.44 0.52 0.88 -0.26 118.95 119.98 1u4a s ARG 60 Ca 0.16 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.05 1u4a s ARG 60 Cb -0.11 -0.95 0.05 0.00 0.52 0.00 0.00 34.95 34.45 1u4a s ARG 60 CO 0.06 0.13 -0.10 0.12 0.02 0.00 0.00 175.30 175.53 1u4a s PHE 61 N 0.16 2.52 -1.46 -0.53 5.36 -0.02 -0.24 117.98 123.76 1u4a s PHE 61 Ca -0.03 -1.70 -0.08 0.00 -0.96 0.00 0.00 56.93 54.16 1u4a s PHE 61 Cb -0.09 -1.67 0.04 0.00 -0.34 0.00 0.00 43.02 40.96 1u4a s PHE 61 CO 0.01 -0.77 0.76 -3.47 -1.46 0.00 0.00 175.22 170.29 1u4a n ASP 62 N 4.65 -5.40 -0.03 6.13 2.03 -1.26 -1.32 116.55 121.35 1u4a n ASP 62 Ca -0.14 -0.45 -0.00 0.00 0.52 0.00 0.00 54.79 54.71 1u4a n ASP 62 Cb 0.46 -4.34 -0.00 0.00 -0.72 0.00 0.00 41.12 36.51 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 -1.57 0.39 3.21 0.27 0.00 -1.26 -5.05 105.19 101.19 1u4a n GLY 63 Ca -0.04 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.56 3.08 -0.35 1.61 0.74 -0.43 -5.09 119.66 116.66 1u4a s GLN 64 Ca 0.00 -0.84 -0.29 0.00 0.05 0.00 0.00 55.36 54.28 1u4a s GLN 64 Cb 0.00 -2.41 -0.01 0.00 1.10 0.00 0.00 33.01 31.69 1u4a s GLN 64 CO 0.00 0.08 1.67 -1.25 -0.55 0.00 0.00 175.29 175.24 1u4a s PRO 65 N 0.59 3.43 0.50 1.67 0.04 -1.26 -0.84 135.00 139.12 1u4a s PRO 65 Ca -0.12 1.28 0.04 0.00 0.04 0.00 0.00 61.00 62.24 1u4a s PRO 65 Cb -0.17 -4.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.23 1u4a s PRO 65 CO 0.03 -1.74 0.13 0.96 0.04 0.00 0.00 177.00 176.42 1u4a s ILE 66 N 6.36 1.51 0.40 0.56 -4.36 0.64 -4.99 121.20 121.32 1u4a s ILE 66 Ca 0.74 -1.83 0.05 0.00 -0.26 0.00 0.00 60.65 59.35 1u4a s ILE 66 Cb -0.20 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.15 1u4a s ILE 66 CO 0.33 0.00 0.19 0.20 0.24 0.00 0.00 174.94 175.90 1u4a s ASN 67 N -3.97 2.53 0.00 4.36 -0.87 -1.26 -3.40 114.94 112.33 1u4a s ASN 67 Ca 0.20 -1.74 -0.00 0.00 -1.57 0.00 0.00 52.86 49.75 1u4a s ASN 67 Cb 0.02 0.58 -0.00 0.00 -0.02 0.00 0.00 41.25 41.83 1u4a s ASN 67 CO 0.11 -1.01 2.00 -1.84 -2.57 0.00 0.00 177.10 173.79 1u4a n GLU 68 N -0.85 1.00 -0.33 -0.60 0.28 -1.26 -3.26 120.64 115.62 1u4a n GLU 68 Ca -0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1u4a n GLU 68 Cb 0.64 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.50 1u4a n GLU 68 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1u4a n THR 69 N 1.51 0.00 -1.39 3.84 -2.24 -1.26 -3.06 114.28 111.68 1u4a n THR 69 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1u4a n THR 69 Cb 0.50 0.63 0.14 0.00 -2.10 0.00 0.00 70.33 69.51 1u4a n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u4a s ASP 70 N -0.62 3.34 0.23 3.42 1.11 -1.20 -4.78 116.67 118.16 1u4a s ASP 70 Ca 0.00 1.12 0.00 0.00 0.18 0.00 0.00 52.55 53.85 1u4a s ASP 70 Cb 0.00 -1.75 0.00 0.00 1.07 0.00 0.00 42.92 42.24 1u4a s ASP 70 CO 0.00 -2.67 0.00 0.35 1.18 0.00 0.00 175.17 174.03 1u4a n THR 71 N -3.87 0.00 -0.18 -1.27 -2.24 -1.26 -1.45 114.28 104.01 1u4a n THR 71 Ca 0.06 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1u4a n THR 71 Cb 0.58 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.07 -0.73 -0.78 0.11 -1.98 -0.06 132.00 128.49 1u4a h PRO 72 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1u4a h PRO 72 Cb 0.00 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 1u4a h PRO 72 CO 0.00 -0.05 0.34 0.00 -0.21 0.00 0.00 178.00 178.09 1u4a h ALA 73 N 1.35 0.95 0.00 -0.75 0.00 -2.00 -1.91 119.26 116.90 1u4a h ALA 73 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1u4a h ALA 73 Cb 0.48 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1u4a h ALA 73 CO -0.61 0.52 -0.05 0.37 0.00 0.00 0.00 179.25 179.48 1u4a h GLN 74 N 1.03 0.00 0.05 0.00 5.75 -1.47 -1.79 115.11 118.68 1u4a h GLN 74 Ca 0.25 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.52 1u4a h GLN 74 Cb 0.13 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1u4a h GLN 74 CO -0.03 0.05 -1.09 -0.07 -2.65 0.00 0.00 178.83 175.04 1u4a h LEU 75 N 0.00 0.16 -0.85 -2.39 4.07 -0.39 -3.30 115.31 112.61 1u4a h LEU 75 Ca -0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 57.77 1u4a h LEU 75 Cb 0.09 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 1u4a h LEU 75 CO 0.01 1.13 0.45 -0.08 -1.08 0.00 0.00 178.44 178.86 1u4a h GLU 76 N 0.03 1.20 -6.11 1.13 4.81 -0.59 -3.43 114.58 111.62 1u4a h GLU 76 Ca -0.05 -0.15 -0.64 0.00 -0.13 0.00 0.00 59.36 58.38 1u4a h GLU 76 Cb 1.84 -0.23 -0.08 0.00 0.63 0.00 0.00 28.75 30.91 1u4a h GLU 76 CO 0.16 0.89 -0.58 -1.64 -0.73 0.00 0.00 179.01 177.11 1u4a s MET 77 N -5.80 2.99 -0.36 1.92 -1.94 -1.08 -5.03 119.30 110.01 1u4a s MET 77 Ca -0.13 -0.62 0.05 0.00 -1.71 0.00 0.00 55.69 53.28 1u4a s MET 77 Cb 0.16 -2.79 0.23 0.00 2.01 0.00 0.00 34.83 34.44 1u4a s MET 77 CO 0.82 0.59 1.21 -0.85 -0.01 0.00 0.00 175.02 176.78 1u4a n GLU 78 N 0.55 0.66 0.05 2.03 0.28 -1.26 -4.83 120.64 118.11 1u4a n GLU 78 Ca -0.09 -1.25 0.00 0.00 -0.16 0.00 0.00 57.16 55.67 1u4a n GLU 78 Cb 0.52 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.29 1u4a n GLU 78 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1u4a n ASP 79 N -0.43 -0.91 -3.47 -1.84 5.75 -1.26 -4.76 116.55 109.63 1u4a n ASP 79 Ca -0.14 0.31 -0.26 0.00 -0.01 0.00 0.00 54.79 54.70 1u4a n ASP 79 Cb 0.74 1.09 -0.12 0.00 -1.03 0.00 0.00 41.12 41.80 1u4a n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1u4a s GLU 80 N -2.00 0.40 -0.04 0.11 8.01 -1.26 -3.83 118.70 120.09 1u4a s GLU 80 Ca 0.00 -0.81 0.04 0.00 0.01 0.00 0.00 54.97 54.20 1u4a s GLU 80 Cb 0.00 -1.08 -0.00 0.00 -4.31 0.00 0.00 34.13 28.74 1u4a s GLU 80 CO 0.00 -1.11 -0.14 0.34 0.01 0.00 0.00 175.26 174.35 1u4a s ASP 81 N 1.67 1.86 -0.09 -0.19 2.15 -1.12 -5.08 116.67 115.87 1u4a s ASP 81 Ca 0.13 -0.30 0.03 0.00 0.43 0.00 0.00 52.55 52.85 1u4a s ASP 81 Cb -0.18 -0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 41.90 1u4a s ASP 81 CO -0.18 0.12 -0.19 0.42 -0.17 0.00 0.00 175.17 175.17 1u4a s THR 82 N 0.12 2.53 0.30 1.71 -4.23 -1.26 -2.48 115.64 112.33 1u4a s THR 82 Ca -0.04 -0.88 0.07 0.00 -1.18 0.00 0.00 61.69 59.66 1u4a s THR 82 Cb -0.11 -1.99 -0.06 0.00 1.34 0.00 0.00 72.50 71.68 1u4a s THR 82 CO 0.02 0.56 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.96 1u4a s ILE 83 N -0.01 1.82 -0.28 2.99 1.09 -1.12 -4.61 121.20 121.09 1u4a s ILE 83 Ca -0.06 -2.15 -0.00 0.00 -1.10 0.00 0.00 60.65 57.34 1u4a s ILE 83 Cb -0.15 -2.52 0.08 0.00 -1.06 0.00 0.00 42.46 38.81 1u4a s ILE 83 CO 0.05 -0.26 0.05 -1.81 -0.10 0.00 0.00 174.94 172.86 1u4a s ASP 84 N -3.50 3.89 -0.30 3.58 1.11 0.66 -1.19 116.67 120.92 1u4a s ASP 84 Ca 0.31 -1.46 -0.24 0.00 0.18 0.00 0.00 52.55 51.34 1u4a s ASP 84 Cb 0.03 -0.99 -0.00 0.00 1.07 0.00 0.00 42.92 43.04 1u4a s ASP 84 CO 0.13 -0.35 0.79 0.54 1.18 0.00 0.00 175.17 177.47 1u4a s VAL 85 N 1.52 4.80 0.10 -1.27 0.11 -0.93 -0.08 120.40 124.65 1u4a s VAL 85 Ca 0.04 1.22 0.05 0.00 -2.93 0.00 0.00 61.98 60.37 1u4a s VAL 85 Cb -0.18 -4.14 -0.04 0.00 -1.53 0.00 0.00 36.38 30.49 1u4a s VAL 85 CO -0.16 -0.23 0.02 -0.36 -3.33 0.00 0.00 175.10 171.04 1u4a s PHE 86 N 2.95 3.01 0.36 1.54 0.08 0.17 -2.75 117.98 123.33 1u4a s PHE 86 Ca 0.33 -0.03 0.09 0.00 0.12 0.00 0.00 56.93 57.44 1u4a s PHE 86 Cb -0.14 -1.53 -0.07 0.00 -0.57 0.00 0.00 43.02 40.71 1u4a s PHE 86 CO 0.12 0.49 -0.06 -0.65 -0.10 0.00 0.00 175.22 175.02 1u4a s GLN 87 N -2.45 1.87 0.22 0.44 1.11 -1.26 -2.00 119.66 117.59 1u4a s GLN 87 Ca 0.27 -1.96 0.00 0.00 0.01 0.00 0.00 55.36 53.68 1u4a s GLN 87 Cb -0.11 -1.71 0.00 0.00 -1.01 0.00 0.00 33.01 30.18 1u4a s GLN 87 CO 0.19 0.10 0.00 1.04 0.01 0.00 0.00 175.29 176.63 1u4a n GLN 88 N -0.85 -1.86 -0.05 2.91 3.00 -1.26 -4.78 117.38 114.49 1u4a n GLN 88 Ca -0.05 1.24 -0.02 0.00 -0.01 0.00 0.00 57.00 58.16 1u4a n GLN 88 Cb 0.64 -2.27 -0.01 0.00 0.00 0.00 0.00 30.24 28.61 1u4a n GLN 88 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1u4a h GLN 89 N -0.85 0.00 -6.29 -1.09 4.15 -2.00 -3.47 115.11 105.55 1u4a h GLN 89 Ca 0.01 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.12 1u4a h GLN 89 Cb 0.84 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.54 1u4a h GLN 89 CO 0.01 0.00 -1.01 0.25 -1.93 0.00 0.00 178.83 176.15 1u4a n THR 90 N -4.05 -5.51 -1.09 2.39 -2.24 -1.26 -4.87 114.28 97.65 1u4a n THR 90 Ca -0.03 0.21 -0.26 0.00 -2.27 0.00 0.00 64.05 61.69 1u4a n THR 90 Cb 0.12 -4.34 0.09 0.00 -2.10 0.00 0.00 70.33 64.11 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 -0.50 4.93 0.00 3.38 0.00 -1.26 -5.21 105.19 106.54 1u4a n GLY 91 Ca -0.08 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93