#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z3r n SER 2 N 0.00 -0.98 -2.02 4.38 3.41 -1.26 -4.84 113.62 112.30 1z3r n SER 2 Ca 0.00 -0.42 -0.05 0.00 -0.26 0.00 0.00 58.87 58.13 1z3r n SER 2 Cb 0.00 -0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 63.22 1z3r n SER 2 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1z3r n LYS 3 N 6.26 1.07 -1.68 4.33 4.76 -1.26 -4.75 118.16 126.89 1z3r n LYS 3 Ca 0.67 -0.44 -0.48 0.00 -2.87 0.00 0.00 58.31 55.19 1z3r n LYS 3 Cb 0.13 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 31.66 1z3r n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1z3r n GLY 4 N 2.37 1.51 0.09 0.72 0.00 -1.26 -4.59 105.19 104.03 1z3r n GLY 4 Ca 0.19 0.86 0.10 0.00 0.00 0.00 0.00 46.02 47.16 1z3r n GLY 4 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1z3r n LEU 5 N 6.72 0.43 -0.16 0.99 7.94 -1.26 -3.53 117.00 128.13 1z3r n LEU 5 Ca 0.22 0.63 0.04 0.00 -1.11 0.00 0.00 56.01 55.79 1z3r n LEU 5 Cb 0.31 -0.59 -0.01 0.00 0.53 0.00 0.00 43.42 43.66 1z3r n LEU 5 CO 0.73 -0.55 0.17 0.35 -1.11 0.00 0.00 177.39 176.98 1z3r n THR 6 N -2.00 0.00 -2.25 1.96 -2.24 -1.26 -5.01 114.28 103.47 1z3r n THR 6 Ca 0.02 -0.40 -0.35 0.00 -2.27 0.00 0.00 64.05 61.05 1z3r n THR 6 Cb 0.16 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1z3r n THR 6 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1z3r s TYR 7 N -1.29 2.66 0.89 4.78 2.02 -1.23 -5.03 117.35 120.14 1z3r s TYR 7 Ca 0.06 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.19 1z3r s TYR 7 Cb 0.07 -3.30 0.12 0.00 -0.40 0.00 0.00 41.96 38.45 1z3r s TYR 7 CO 0.23 -1.60 1.09 -0.08 -1.57 0.00 0.00 175.55 173.62 1z3r s THR 8 N -1.76 2.70 0.22 -0.71 -1.32 -1.26 -4.33 115.64 109.18 1z3r s THR 8 Ca 0.73 0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 61.14 1z3r s THR 8 Cb -0.24 -2.62 -0.09 0.00 -1.51 0.00 0.00 72.50 68.04 1z3r s THR 8 CO 0.27 -0.30 1.17 -0.04 -2.21 0.00 0.00 174.62 173.51 1z3r s MET 9 N -4.85 4.54 0.61 7.08 -1.94 -1.26 -0.12 119.30 123.36 1z3r s MET 9 Ca 0.64 1.86 -0.18 0.00 -1.71 0.00 0.00 55.69 56.30 1z3r s MET 9 Cb -0.19 -3.22 -0.03 0.00 2.01 0.00 0.00 34.83 33.41 1z3r s MET 9 CO 0.57 0.01 1.19 0.00 -0.01 0.00 0.00 175.02 176.79 1z3r n ASP 11 N -1.75 3.21 0.22 0.00 -0.08 -1.26 -4.69 116.55 112.19 1z3r n ASP 11 Ca 0.13 0.74 0.14 0.00 -1.51 0.00 0.00 54.79 54.29 1z3r n ASP 11 Cb 0.50 -1.39 0.75 0.00 2.34 0.00 0.00 41.12 43.32 1z3r n ASP 11 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1z3r h LYS 12 N 10.81 0.00 -0.01 -0.67 1.57 -1.93 -2.98 116.57 123.35 1z3r h LYS 12 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1z3r h LYS 12 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1z3r h LYS 12 CO 0.96 0.00 -0.09 0.00 -0.57 0.00 0.00 179.45 179.75 1z3r n ALA 13 N -1.84 2.66 0.30 3.86 0.00 -1.26 -0.88 120.51 123.34 1z3r n ALA 13 Ca -0.02 -0.57 0.10 0.00 0.00 0.00 0.00 53.44 52.95 1z3r n ALA 13 Cb 0.08 -0.46 0.16 0.00 0.00 0.00 0.00 19.45 19.23 1z3r n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1z3r n LYS 14 N 0.44 2.16 -2.49 0.00 4.76 -1.13 -5.01 118.16 116.89 1z3r n LYS 14 Ca 0.07 -2.00 -0.30 0.00 -2.87 0.00 0.00 58.31 53.21 1z3r n LYS 14 Cb 0.32 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 1z3r n LYS 14 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1z3r s PHE 15 N -1.33 3.53 0.00 2.13 0.08 -1.26 -0.65 117.98 120.49 1z3r s PHE 15 Ca 0.30 1.12 -0.05 0.00 0.12 0.00 0.00 56.93 58.42 1z3r s PHE 15 Cb 0.18 -2.53 -0.00 0.00 -0.57 0.00 0.00 43.02 40.09 1z3r s PHE 15 CO 0.25 -0.33 0.09 0.95 -0.10 0.00 0.00 175.22 176.08 1z3r s THR 16 N -2.70 0.08 -0.46 0.64 -4.23 0.61 -4.94 115.64 104.64 1z3r s THR 16 Ca 0.53 -0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 60.07 1z3r s THR 16 Cb -0.10 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.38 1z3r s THR 16 CO 0.40 -0.38 1.52 0.26 -0.54 0.00 0.00 174.62 175.88 1z3r s TRP 17 N -1.27 2.19 0.19 3.99 0.23 -1.26 -0.98 118.94 122.03 1z3r s TRP 17 Ca -0.14 0.61 0.02 0.00 -2.03 0.00 0.00 56.10 54.57 1z3r s TRP 17 Cb -0.08 -4.29 0.10 0.00 0.03 0.00 0.00 33.47 29.24 1z3r s TRP 17 CO 0.01 -2.18 1.45 -0.22 0.96 0.00 0.00 176.95 176.97 1z3r h LYS 18 N 11.57 0.26 -1.97 4.98 3.64 -1.12 -3.44 116.57 130.49 1z3r h LYS 18 Ca -0.28 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 58.77 1z3r h LYS 18 Cb 1.12 0.05 -0.28 0.00 -0.41 0.00 0.00 32.23 32.71 1z3r h LYS 18 CO 1.12 0.89 -0.42 0.50 -2.27 0.00 0.00 179.45 179.26 1z3r s ARG 19 N -3.49 0.37 0.83 1.90 3.52 0.44 -4.92 118.95 117.60 1z3r s ARG 19 Ca -0.04 0.73 -0.13 0.00 -0.13 0.00 0.00 55.73 56.17 1z3r s ARG 19 Cb 0.11 -0.13 0.10 0.00 -1.56 0.00 0.00 34.95 33.46 1z3r s ARG 19 CO 0.82 -0.53 1.20 0.00 -0.81 0.00 0.00 175.30 175.98 1z3r s ALA 20 N 2.60 1.75 0.14 6.12 0.00 -1.26 -0.64 121.76 130.48 1z3r s ALA 20 Ca 0.09 0.81 -0.34 0.00 0.00 0.00 0.00 51.96 52.52 1z3r s ALA 20 Cb -0.14 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.34 1z3r s ALA 20 CO -0.16 -2.41 1.54 -2.30 0.00 0.00 0.00 175.76 172.44 1z3r n PRO 21 N -3.49 1.97 -4.15 0.00 -0.02 -1.26 -4.67 135.00 123.39 1z3r n PRO 21 Ca 0.13 0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 62.21 1z3r n PRO 21 Cb 0.51 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.42 1z3r n PRO 21 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1z3r s THR 22 N 0.92 0.68 0.26 3.45 -1.32 -0.03 -4.98 115.64 114.63 1z3r s THR 22 Ca 0.80 -1.70 -0.30 0.00 -1.21 0.00 0.00 61.69 59.27 1z3r s THR 22 Cb -0.73 -1.40 -0.13 0.00 -1.51 0.00 0.00 72.50 68.73 1z3r s THR 22 CO 0.40 -0.73 1.32 -0.67 -2.21 0.00 0.00 174.62 172.73 1z3r n ASP 23 N 0.37 2.49 0.25 8.08 -0.08 -1.26 -0.63 116.55 125.77 1z3r n ASP 23 Ca -0.15 1.16 0.14 0.00 -1.51 0.00 0.00 54.79 54.43 1z3r n ASP 23 Cb 0.59 -1.41 0.47 0.00 2.34 0.00 0.00 41.12 43.11 1z3r n ASP 23 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1z3r h SER 24 N 3.55 0.00 0.00 1.67 4.64 -1.60 -3.44 113.55 118.37 1z3r h SER 24 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1z3r h SER 24 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1z3r h SER 24 CO 0.71 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 1z3r n GLY 25 N 0.43 0.56 0.37 -0.77 0.00 -1.26 -4.96 105.19 99.55 1z3r n GLY 25 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1z3r n GLY 25 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1z3r n HIS 26 N -2.00 0.11 -0.91 1.61 8.25 -1.26 -4.97 115.22 116.05 1z3r n HIS 26 Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1z3r n HIS 26 Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1z3r n HIS 26 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1z3r n ASP 27 N 0.37 -4.21 -4.94 0.41 8.00 -1.26 -5.00 116.55 109.91 1z3r n ASP 27 Ca 0.06 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.32 1z3r n ASP 27 Cb 0.26 -2.69 0.05 0.00 -0.02 0.00 0.00 41.12 38.72 1z3r n ASP 27 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1z3r s THR 28 N -1.30 2.77 -0.22 -3.53 -4.23 -1.26 -4.78 115.64 103.09 1z3r s THR 28 Ca 0.00 -0.37 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 1z3r s THR 28 Cb 0.00 -3.12 0.04 0.00 1.34 0.00 0.00 72.50 70.77 1z3r s THR 28 CO 0.00 -0.11 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.15 1z3r s VAL 29 N -2.99 2.01 0.04 2.29 1.01 0.12 -1.48 120.40 121.40 1z3r s VAL 29 Ca 0.57 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1z3r s VAL 29 Cb -0.11 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1z3r s VAL 29 CO 0.42 0.21 0.12 0.68 0.00 0.00 0.00 175.10 176.53 1z3r s VAL 30 N 1.23 4.86 0.25 2.92 -7.23 0.20 -1.00 120.40 121.64 1z3r s VAL 30 Ca -0.02 -0.52 -0.15 0.00 -1.81 0.00 0.00 61.98 59.48 1z3r s VAL 30 Cb -0.17 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.47 1z3r s VAL 30 CO -0.08 0.22 0.54 0.00 -0.31 0.00 0.00 175.10 175.47 1z3r s MET 31 N -2.17 1.61 -0.13 4.82 0.23 -0.98 -0.85 119.30 121.83 1z3r s MET 31 Ca 0.28 -1.17 -0.19 0.00 -1.03 0.00 0.00 55.69 53.58 1z3r s MET 31 Cb -0.12 0.51 0.05 0.00 -1.53 0.00 0.00 34.83 33.73 1z3r s MET 31 CO 0.20 -0.69 0.49 -2.00 -2.03 0.00 0.00 175.02 171.00 1z3r s GLU 32 N -3.99 0.68 0.09 3.16 2.12 0.19 -2.15 118.70 118.81 1z3r s GLU 32 Ca 0.19 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.98 1z3r s GLU 32 Cb -0.02 0.32 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 1z3r s GLU 32 CO 0.08 -0.14 -0.07 0.14 -0.54 0.00 0.00 175.26 174.73 1z3r s VAL 33 N -0.30 0.72 -0.02 3.70 -7.23 -0.07 -0.42 120.40 116.78 1z3r s VAL 33 Ca -0.05 -1.78 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 1z3r s VAL 33 Cb -0.03 -1.49 -0.01 0.00 0.56 0.00 0.00 36.38 35.41 1z3r s VAL 33 CO 0.03 -0.76 -0.17 0.00 -0.31 0.00 0.00 175.10 173.89 1z3r s ALA 34 N -3.13 1.47 -0.05 1.32 0.00 -0.16 -4.40 121.76 116.81 1z3r s ALA 34 Ca 0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1z3r s ALA 34 Cb 0.02 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1z3r s ALA 34 CO -0.03 0.35 0.03 0.12 0.00 0.00 0.00 175.76 176.23 1z3r s PHE 35 N -0.35 0.26 -2.39 0.00 5.36 -1.26 -0.28 117.98 119.32 1z3r s PHE 35 Ca 0.05 0.10 0.25 0.00 -0.96 0.00 0.00 56.93 56.37 1z3r s PHE 35 Cb -0.07 -0.55 0.91 0.00 -0.34 0.00 0.00 43.02 42.97 1z3r s PHE 35 CO -0.00 -0.22 1.65 0.43 -1.46 0.00 0.00 175.22 175.62 1z3r n SER 36 N 5.06 1.58 -0.30 6.13 7.64 0.18 -4.86 113.62 129.05 1z3r n SER 36 Ca -0.08 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.20 1z3r n SER 36 Cb 0.50 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1z3r n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1z3r n GLY 37 N 1.15 1.80 3.32 0.23 0.00 -1.26 -5.04 105.19 105.40 1z3r n GLY 37 Ca 0.18 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 1z3r n GLY 37 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1z3r n THR 38 N 0.00 0.00 -3.96 2.61 -1.04 -1.26 -5.09 114.28 105.54 1z3r n THR 38 Ca 0.00 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.05 61.60 1z3r n THR 38 Cb 0.00 -0.49 -0.15 0.00 -1.82 0.00 0.00 70.33 67.87 1z3r n THR 38 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1z3r s LYS 39 N -3.28 0.26 0.82 -2.82 -0.14 -1.26 -4.52 119.74 108.80 1z3r s LYS 39 Ca 0.53 0.01 -0.12 0.00 -1.36 0.00 0.00 55.97 55.03 1z3r s LYS 39 Cb -0.19 -0.37 0.09 0.00 -1.68 0.00 0.00 37.83 35.67 1z3r s LYS 39 CO 0.70 -0.06 1.12 -1.25 -0.76 0.00 0.00 175.35 175.11 1z3r s PRO 40 N 0.60 1.87 0.15 -1.68 0.04 -1.26 -4.83 135.00 129.88 1z3r s PRO 40 Ca -0.06 0.41 -0.21 0.00 0.04 0.00 0.00 61.00 61.19 1z3r s PRO 40 Cb -0.09 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.60 1z3r s PRO 40 CO -0.01 -1.72 0.53 0.00 0.04 0.00 0.00 177.00 175.85 1z3r s ARG 42 N -3.77 4.58 -0.26 0.00 3.52 0.83 -0.56 118.95 123.29 1z3r s ARG 42 Ca 0.02 1.30 -0.29 0.00 -0.13 0.00 0.00 55.73 56.62 1z3r s ARG 42 Cb -0.00 -3.42 -0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1z3r s ARG 42 CO -0.13 0.10 1.30 0.42 -0.81 0.00 0.00 175.30 176.19 1z3r s ILE 43 N 0.48 4.17 -1.01 4.11 1.01 -0.06 -0.61 121.20 129.28 1z3r s ILE 43 Ca 0.46 1.34 -0.24 0.00 0.00 0.00 0.00 60.65 62.22 1z3r s ILE 43 Cb -0.21 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 1z3r s ILE 43 CO 0.26 -0.39 1.92 -2.16 0.00 0.00 0.00 174.94 174.58 1z3r s PRO 44 N 4.02 2.59 -0.07 2.79 0.04 -1.26 -4.78 135.00 138.33 1z3r s PRO 44 Ca 0.56 -0.65 0.03 0.00 0.04 0.00 0.00 61.00 60.98 1z3r s PRO 44 Cb -0.18 -5.14 -0.02 0.00 0.04 0.00 0.00 34.50 29.19 1z3r s PRO 44 CO 0.21 -3.54 -0.15 0.08 0.04 0.00 0.00 177.00 173.64 1z3r s VAL 45 N 10.16 2.95 0.15 -0.36 1.01 -1.26 -0.32 120.40 132.73 1z3r s VAL 45 Ca 0.68 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 1z3r s VAL 45 Cb -0.04 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.22 1z3r s VAL 45 CO 0.04 0.57 0.48 0.00 0.00 0.00 0.00 175.10 176.20 1z3r s ARG 46 N -0.45 1.21 -0.10 2.72 1.70 -1.18 -5.04 118.95 117.81 1z3r s ARG 46 Ca 0.05 -0.70 0.01 0.00 -0.47 0.00 0.00 55.73 54.62 1z3r s ARG 46 Cb -0.12 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1z3r s ARG 46 CO 0.02 -0.50 -0.12 0.00 -1.08 0.00 0.00 175.30 173.62 1z3r s ALA 47 N -3.81 1.48 -0.23 7.88 0.00 -1.26 -0.61 121.76 125.21 1z3r s ALA 47 Ca 0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 1z3r s ALA 47 Cb 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1z3r s ALA 47 CO -0.10 -0.18 -0.08 0.14 0.00 0.00 0.00 175.76 175.55 1z3r s VAL 48 N 1.20 2.82 0.42 0.00 -7.23 0.03 -0.12 120.40 117.52 1z3r s VAL 48 Ca -0.03 -0.94 -0.26 0.00 -1.81 0.00 0.00 61.98 58.94 1z3r s VAL 48 Cb -0.14 -2.38 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 1z3r s VAL 48 CO -0.04 0.28 1.41 0.00 -0.31 0.00 0.00 175.10 176.45 1z3r s ALA 49 N 1.34 3.35 -0.77 1.32 0.00 -1.26 -0.48 121.76 125.26 1z3r s ALA 49 Ca 0.02 1.44 -0.24 0.00 0.00 0.00 0.00 51.96 53.18 1z3r s ALA 49 Cb -0.16 -3.57 -0.16 0.00 0.00 0.00 0.00 23.12 19.23 1z3r s ALA 49 CO -0.06 -1.06 2.39 1.58 0.00 0.00 0.00 175.76 178.62 1z3r n HIS 50 N 0.10 1.02 0.00 0.00 -0.00 -0.43 -1.48 115.22 114.43 1z3r n HIS 50 Ca 0.03 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1z3r n HIS 50 Cb 0.41 -2.30 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 1z3r n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1z3r n GLY 51 N 6.44 0.93 2.40 1.57 0.00 -1.26 -5.05 105.19 110.21 1z3r n GLY 51 Ca 0.49 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.24 1z3r n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z3r s ALA 52 N -0.17 1.34 -0.75 4.61 0.00 -0.55 -4.98 121.76 121.26 1z3r s ALA 52 Ca 0.00 -2.38 0.13 0.00 0.00 0.00 0.00 51.96 49.71 1z3r s ALA 52 Cb 0.00 -1.59 0.59 0.00 0.00 0.00 0.00 23.12 22.12 1z3r s ALA 52 CO 0.00 -1.99 1.40 -0.35 0.00 0.00 0.00 175.76 174.82 1z3r n PRO 53 N 2.98 0.06 0.21 0.00 -0.04 -1.26 -1.63 135.00 135.32 1z3r n PRO 53 Ca 0.28 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 64.26 1z3r n PRO 53 Cb 0.47 -1.66 0.37 0.00 -0.04 0.00 0.00 33.50 32.64 1z3r n PRO 53 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1z3r h ASP 54 N 0.00 0.00 -3.61 3.54 5.19 -1.95 -3.45 116.42 116.15 1z3r h ASP 54 Ca 0.00 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.72 1z3r h ASP 54 Cb 0.14 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 39.33 1z3r h ASP 54 CO 0.00 0.28 -0.61 -0.69 -3.12 0.00 0.00 179.24 175.10 1z3r s VAL 55 N -3.53 3.31 0.17 -1.35 1.01 -0.64 -5.08 120.40 114.29 1z3r s VAL 55 Ca 0.01 -1.65 -0.31 0.00 0.00 0.00 0.00 61.98 60.03 1z3r s VAL 55 Cb 0.10 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 1z3r s VAL 55 CO 0.66 -0.40 1.48 -0.62 0.00 0.00 0.00 175.10 176.21 1z3r s ASP 56 N 1.58 6.68 0.00 3.32 2.15 -1.26 -4.01 116.67 125.14 1z3r s ASP 56 Ca 0.02 2.54 0.03 0.00 0.43 0.00 0.00 52.55 55.57 1z3r s ASP 56 Cb -0.21 -2.60 0.06 0.00 -0.30 0.00 0.00 42.92 39.87 1z3r s ASP 56 CO -0.02 -0.73 0.84 1.33 -0.17 0.00 0.00 175.17 176.42 1z3r n VAL 57 N 3.48 0.49 -2.04 1.11 0.24 0.83 -4.95 118.33 117.48 1z3r n VAL 57 Ca 0.11 -0.74 -0.33 0.00 -2.04 0.00 0.00 64.34 61.34 1z3r n VAL 57 Cb 0.40 0.79 -0.04 0.00 -1.47 0.00 0.00 33.84 33.53 1z3r n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1z3r s ALA 58 N -0.63 1.93 -0.86 2.33 0.00 -1.25 -4.50 121.76 118.79 1z3r s ALA 58 Ca 0.06 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 1z3r s ALA 58 Cb 0.03 -4.42 0.08 0.00 0.00 0.00 0.00 23.12 18.81 1z3r s ALA 58 CO 0.05 -4.32 1.20 -1.64 0.00 0.00 0.00 175.76 171.04 1z3r s MET 59 N 7.03 3.41 0.10 0.00 -1.94 -0.40 -4.89 119.30 122.62 1z3r s MET 59 Ca 0.69 -1.12 -0.31 0.00 -1.71 0.00 0.00 55.69 53.23 1z3r s MET 59 Cb -0.10 -4.75 -0.10 0.00 2.01 0.00 0.00 34.83 31.89 1z3r s MET 59 CO 0.11 -1.96 1.79 -0.51 -0.01 0.00 0.00 175.02 174.43 1z3r s LEU 60 N 4.12 4.39 -0.15 -0.03 1.43 -1.26 -0.36 118.68 126.82 1z3r s LEU 60 Ca 0.34 2.68 0.07 0.00 -1.03 0.00 0.00 54.13 56.19 1z3r s LEU 60 Cb -0.07 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.35 1z3r s LEU 60 CO -0.01 -0.97 0.26 -0.38 0.23 0.00 0.00 176.35 175.47 1z3r n ILE 61 N 4.77 1.57 -2.97 -0.59 2.08 0.73 -4.90 119.36 120.05 1z3r n ILE 61 Ca 0.17 -0.73 -0.23 0.00 0.56 0.00 0.00 62.75 62.51 1z3r n ILE 61 Cb 0.39 -1.14 0.01 0.00 -0.75 0.00 0.00 39.64 38.15 1z3r n ILE 61 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1z3r s THR 62 N -2.54 4.16 1.12 1.39 -1.32 -0.49 -4.98 115.64 112.97 1z3r s THR 62 Ca -0.16 -0.42 -0.14 0.00 -1.21 0.00 0.00 61.69 59.76 1z3r s THR 62 Cb 0.07 -3.55 0.22 0.00 -1.51 0.00 0.00 72.50 67.74 1z3r s THR 62 CO 0.77 -0.40 0.80 -2.65 -2.21 0.00 0.00 174.62 170.93 1z3r n PRO 63 N -2.09 -1.92 -0.95 7.08 -0.02 -1.26 -4.76 135.00 131.08 1z3r n PRO 63 Ca 0.01 -0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 60.66 1z3r n PRO 63 Cb 0.57 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.87 1z3r n PRO 63 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1z3r n ASN 64 N -4.04 0.26 -4.75 2.55 5.15 -1.26 -4.85 115.26 108.32 1z3r n ASN 64 Ca 0.04 0.20 -0.40 0.00 -0.60 0.00 0.00 54.58 53.81 1z3r n ASN 64 Cb 0.55 -0.61 -0.04 0.00 -0.53 0.00 0.00 39.78 39.15 1z3r n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1z3r s PRO 65 N 5.47 4.64 0.12 1.20 0.04 -1.26 -4.43 135.00 140.78 1z3r s PRO 65 Ca 0.87 1.78 0.05 0.00 0.04 0.00 0.00 61.00 63.74 1z3r s PRO 65 Cb -0.87 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1z3r s PRO 65 CO 0.35 0.19 -0.12 0.95 0.04 0.00 0.00 177.00 178.41 1z3r s THR 66 N -0.96 1.19 -0.12 1.26 -4.23 -1.26 -0.88 115.64 110.63 1z3r s THR 66 Ca 0.45 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1z3r s THR 66 Cb -0.31 -1.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 1z3r s THR 66 CO 0.39 -0.51 -0.18 -0.32 -0.54 0.00 0.00 174.62 173.46 1z3r s MET 67 N -2.88 3.21 0.20 3.99 1.75 0.28 -0.89 119.30 124.96 1z3r s MET 67 Ca 0.09 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 53.76 1z3r s MET 67 Cb -0.03 -2.50 -0.05 0.00 2.84 0.00 0.00 34.83 35.10 1z3r s MET 67 CO 0.02 0.16 0.06 -1.21 -0.65 0.00 0.00 175.02 173.39 1z3r s GLU 68 N 0.45 1.19 0.00 4.11 2.02 -1.11 -1.08 118.70 124.28 1z3r s GLU 68 Ca -0.13 -1.60 0.28 0.00 0.02 0.00 0.00 54.97 53.54 1z3r s GLU 68 Cb -0.17 -0.11 1.08 0.00 0.10 0.00 0.00 34.13 35.03 1z3r s GLU 68 CO 0.06 -0.24 1.80 0.27 0.02 0.00 0.00 175.26 177.17 1z3r n ASN 69 N -0.29 0.21 -0.57 -0.19 0.23 -1.26 -4.18 115.26 109.21 1z3r n ASN 69 Ca -0.03 0.06 0.05 0.00 -0.53 0.00 0.00 54.58 54.13 1z3r n ASN 69 Cb 0.65 -0.21 0.10 0.00 -2.08 0.00 0.00 39.78 38.23 1z3r n ASN 69 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1z3r n ASN 70 N -1.38 1.35 0.00 0.53 0.23 -1.26 -5.06 115.26 109.67 1z3r n ASN 70 Ca 0.09 -2.81 0.00 0.00 -0.53 0.00 0.00 54.58 51.33 1z3r n ASN 70 Cb 0.32 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 1z3r n ASN 70 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1z3r n GLY 71 N -0.64 0.43 0.00 4.83 0.00 -1.26 -0.13 105.19 108.42 1z3r n GLY 71 Ca 0.11 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1z3r n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z3r n GLY 72 N 0.00 1.27 0.73 -0.02 0.00 -1.26 -2.76 105.19 103.15 1z3r n GLY 72 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1z3r n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z3r n GLY 73 N 0.13 0.72 3.92 -0.02 0.00 -0.07 -4.87 105.19 104.99 1z3r n GLY 73 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1z3r n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1z3r s PHE 74 N -2.27 3.52 -0.06 1.61 5.36 -1.26 -0.90 117.98 123.99 1z3r s PHE 74 Ca 0.00 0.29 -0.13 0.00 -0.96 0.00 0.00 56.93 56.13 1z3r s PHE 74 Cb 0.00 -1.79 0.03 0.00 -0.34 0.00 0.00 43.02 40.91 1z3r s PHE 74 CO 0.00 0.59 0.31 0.42 -1.46 0.00 0.00 175.22 175.08 1z3r s ILE 75 N -1.49 0.03 -0.04 3.12 1.01 -0.91 -4.72 121.20 118.20 1z3r s ILE 75 Ca 0.34 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1z3r s ILE 75 Cb -0.13 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.81 1z3r s ILE 75 CO 0.26 -0.15 -0.06 -0.70 0.00 0.00 0.00 174.94 174.29 1z3r s GLU 76 N -0.67 0.91 0.16 2.79 2.12 -1.26 -2.32 118.70 120.42 1z3r s GLU 76 Ca -0.08 -0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 1z3r s GLU 76 Cb -0.04 -0.87 -0.04 0.00 0.26 0.00 0.00 34.13 33.44 1z3r s GLU 76 CO 0.02 -0.03 0.11 0.00 -0.54 0.00 0.00 175.26 174.82 1z3r s MET 77 N 0.71 1.04 0.09 4.30 0.23 -0.17 -0.19 119.30 125.31 1z3r s MET 77 Ca -0.10 -1.47 0.06 0.00 -1.03 0.00 0.00 55.69 53.15 1z3r s MET 77 Cb -0.13 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.40 1z3r s MET 77 CO 0.01 -0.32 -0.15 -1.14 -2.03 0.00 0.00 175.02 171.38 1z3r s GLN 78 N -4.07 0.94 0.09 3.16 0.74 0.51 0.12 119.66 121.15 1z3r s GLN 78 Ca 0.28 -1.08 -0.06 0.00 0.05 0.00 0.00 55.36 54.54 1z3r s GLN 78 Cb 0.07 -0.95 -0.02 0.00 1.10 0.00 0.00 33.01 33.21 1z3r s GLN 78 CO 0.05 0.20 0.14 -0.51 -0.55 0.00 0.00 175.29 174.62 1z3r s LEU 79 N -2.00 1.65 0.16 3.68 1.02 -1.26 -1.27 118.68 120.65 1z3r s LEU 79 Ca 0.03 -0.82 -0.32 0.00 0.02 0.00 0.00 54.13 53.04 1z3r s LEU 79 Cb -0.08 0.79 -0.12 0.00 0.02 0.00 0.00 46.19 46.80 1z3r s LEU 79 CO 0.03 -0.72 1.75 -2.65 0.02 0.00 0.00 176.35 174.78 1z3r n PRO 80 N -0.04 2.67 -1.58 1.29 -0.02 -1.26 -4.95 135.00 131.10 1z3r n PRO 80 Ca -0.13 0.97 -0.50 0.00 -2.02 0.00 0.00 63.50 61.82 1z3r n PRO 80 Cb 0.62 -2.82 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 1z3r n PRO 80 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1z3r n PRO 81 N 4.64 1.16 0.00 0.52 -0.02 -1.26 -4.67 135.00 135.36 1z3r n PRO 81 Ca 0.17 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1z3r n PRO 81 Cb 0.35 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1z3r n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1z3r n GLY 82 N 2.16 0.86 3.67 -1.23 0.00 -0.44 -4.92 105.19 105.29 1z3r n GLY 82 Ca 0.16 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1z3r n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1z3r s ASP 83 N -0.59 6.95 -0.16 1.61 2.15 -1.26 -0.35 116.67 125.02 1z3r s ASP 83 Ca 0.00 1.83 0.00 0.00 0.43 0.00 0.00 52.55 54.81 1z3r s ASP 83 Cb 0.00 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.11 1z3r s ASP 83 CO 0.00 -0.70 -0.10 0.20 -0.17 0.00 0.00 175.17 174.40 1z3r s ASN 84 N 1.87 2.85 -0.69 -0.34 0.01 0.24 -1.31 114.94 117.56 1z3r s ASN 84 Ca 0.57 -0.62 -0.27 0.00 -0.71 0.00 0.00 52.86 51.83 1z3r s ASN 84 Cb -0.25 -1.07 0.02 0.00 0.41 0.00 0.00 41.25 40.36 1z3r s ASN 84 CO 0.20 -0.13 1.40 -0.63 -1.51 0.00 0.00 177.10 176.43 1z3r s ILE 85 N 1.53 3.67 -0.11 0.60 1.09 0.37 -0.49 121.20 127.86 1z3r s ILE 85 Ca 0.02 0.41 -0.24 0.00 -1.10 0.00 0.00 60.65 59.74 1z3r s ILE 85 Cb -0.14 -4.69 -0.03 0.00 -1.06 0.00 0.00 42.46 36.54 1z3r s ILE 85 CO -0.09 -1.60 0.74 -0.63 -0.10 0.00 0.00 174.94 173.26 1z3r s ILE 86 N 6.37 4.99 0.12 2.92 1.01 0.40 -0.79 121.20 136.22 1z3r s ILE 86 Ca 0.43 1.50 0.07 0.00 0.00 0.00 0.00 60.65 62.65 1z3r s ILE 86 Cb -0.09 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1z3r s ILE 86 CO 0.17 0.17 -0.09 -0.31 0.00 0.00 0.00 174.94 174.88 1z3r s TYR 87 N 1.33 2.74 -0.40 3.97 2.02 0.22 -0.71 117.35 126.51 1z3r s TYR 87 Ca 0.37 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 1z3r s TYR 87 Cb -0.17 -1.41 0.14 0.00 -0.40 0.00 0.00 41.96 40.12 1z3r s TYR 87 CO 0.16 0.45 0.22 0.08 -1.57 0.00 0.00 175.55 174.89 1z3r s VAL 88 N -1.34 0.92 0.00 0.71 1.01 0.32 -3.07 120.40 118.95 1z3r s VAL 88 Ca 0.23 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1z3r s VAL 88 Cb -0.11 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1z3r s VAL 88 CO 0.15 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.93 1z3r n GLY 89 N 3.77 1.86 0.04 4.51 0.00 0.57 -2.49 105.19 113.45 1z3r n GLY 89 Ca 0.09 0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1z3r n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1z3r n GLU 90 N 2.63 3.64 -1.90 1.61 4.07 -0.06 -4.97 120.64 125.66 1z3r n GLU 90 Ca 0.00 -0.09 -0.39 0.00 -0.06 0.00 0.00 57.16 56.61 1z3r n GLU 90 Cb 0.00 -0.96 0.01 0.00 -0.06 0.00 0.00 31.44 30.43 1z3r n GLU 90 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1z3r s LEU 91 N -2.31 4.12 0.24 4.31 2.96 -1.04 -5.04 118.68 121.93 1z3r s LEU 91 Ca 0.04 2.79 -0.07 0.00 -0.22 0.00 0.00 54.13 56.67 1z3r s LEU 91 Cb 0.07 -3.97 -0.02 0.00 0.50 0.00 0.00 46.19 42.77 1z3r s LEU 91 CO 0.36 -1.10 0.36 -1.59 -1.32 0.00 0.00 176.35 173.06 1z3r s LYS 92 N -2.44 1.48 -0.16 1.98 -2.85 -1.26 -0.52 119.74 115.97 1z3r s LYS 92 Ca 0.61 -1.45 -0.18 0.00 -1.00 0.00 0.00 55.97 53.96 1z3r s LYS 92 Cb -0.41 0.40 0.05 0.00 -2.06 0.00 0.00 37.83 35.81 1z3r s LYS 92 CO 0.52 -0.58 0.49 -1.58 0.10 0.00 0.00 175.35 174.30 1z3r s HIS 93 N -3.94 -0.52 -0.35 1.78 2.46 0.11 -4.99 115.29 109.85 1z3r s HIS 93 Ca 0.29 1.23 -0.29 0.00 0.47 0.00 0.00 55.06 56.76 1z3r s HIS 93 Cb 0.02 0.19 0.00 0.00 -0.13 0.00 0.00 32.58 32.66 1z3r s HIS 93 CO 0.12 -0.29 1.39 -0.65 -2.47 0.00 0.00 174.74 172.84 1z3r s GLN 94 N 0.07 3.72 -0.34 2.88 -0.21 -1.26 -0.45 119.66 124.07 1z3r s GLN 94 Ca -0.02 1.12 -0.09 0.00 0.02 0.00 0.00 55.36 56.40 1z3r s GLN 94 Cb -0.03 -3.97 0.02 0.00 1.00 0.00 0.00 33.01 30.02 1z3r s GLN 94 CO 0.01 -1.38 0.15 -0.46 -2.12 0.00 0.00 175.29 171.50 1z3r s TRP 95 N 5.02 3.21 -1.10 0.91 -0.11 0.35 -4.95 118.94 122.28 1z3r s TRP 95 Ca 0.60 -0.96 -0.20 0.00 1.22 0.00 0.00 56.10 56.76 1z3r s TRP 95 Cb -0.16 -2.35 0.08 0.00 -1.50 0.00 0.00 33.47 29.54 1z3r s TRP 95 CO 0.29 -0.61 1.48 -0.06 -4.62 0.00 0.00 176.95 173.43 1z3r s PHE 96 N 1.53 2.76 0.43 5.86 0.40 -1.26 -0.59 117.98 127.11 1z3r s PHE 96 Ca 0.02 -1.24 -0.25 0.00 -0.60 0.00 0.00 56.93 54.87 1z3r s PHE 96 Cb -0.18 -4.63 -0.08 0.00 0.51 0.00 0.00 43.02 38.64 1z3r s PHE 96 CO 0.05 -1.80 1.25 -1.14 0.70 0.00 0.00 175.22 174.28 1z3r s GLN 97 N 4.18 3.86 0.23 0.44 2.00 0.53 -4.83 119.66 126.07 1z3r s GLN 97 Ca 0.46 2.02 0.10 0.00 -2.00 0.00 0.00 55.36 55.94 1z3r s GLN 97 Cb 0.00 -2.62 -0.05 0.00 0.80 0.00 0.00 33.01 31.15 1z3r s GLN 97 CO -0.04 -0.54 -0.18 -1.59 -0.50 0.00 0.00 175.29 172.44 1z3r s LYS 98 N -2.41 1.48 0.00 1.67 -2.85 -1.26 -1.33 119.74 115.04 1z3r s LYS 98 Ca 0.60 -1.64 0.00 0.00 -1.00 0.00 0.00 55.97 53.93 1z3r s LYS 98 Cb -0.35 -1.47 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 1z3r s LYS 98 CO 0.44 0.27 0.00 0.41 0.10 0.00 0.00 175.35 176.57