#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 1.52 -4.21 4.38 7.64 -1.26 -4.86 113.62 116.84 1z3r n SER 2 Ca 0.00 0.96 -0.41 0.00 1.01 0.00 0.00 58.87 60.43 1z3r n SER 2 Cb 0.00 -1.43 -0.07 0.00 -1.01 0.00 0.00 64.21 61.70 1z3r n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1z3r s LYS 3 N -2.44 2.72 -1.05 1.43 -0.14 -1.26 -4.95 119.74 114.06 1z3r s LYS 3 Ca 0.68 -2.07 -0.23 0.00 -1.36 0.00 0.00 55.97 53.00 1z3r s LYS 3 Cb -0.48 -3.99 0.03 0.00 -1.68 0.00 0.00 37.83 31.72 1z3r s LYS 3 CO 0.53 -1.21 1.60 0.20 -0.76 0.00 0.00 175.35 175.70 1z3r s GLY 4 N 2.16 1.09 0.67 -3.33 0.00 -1.26 -4.82 107.32 101.82 1z3r s GLY 4 Ca 0.10 -2.22 0.35 0.00 0.00 0.00 0.00 44.72 42.95 1z3r s GLY 4 CO -0.03 2.87 2.07 1.41 0.00 0.00 0.00 173.10 179.42 1z3r h LEU 5 N 13.83 0.00 0.00 0.66 3.38 -1.96 -3.13 115.31 128.10 1z3r h LEU 5 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1z3r h LEU 5 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1z3r h LEU 5 CO 1.39 0.00 -1.16 0.35 0.09 0.00 0.00 178.44 179.11 1z3r n THR 6 N -2.98 0.00 -1.25 0.22 -2.24 -1.26 -5.05 114.28 101.72 1z3r n THR 6 Ca -0.02 -0.24 -0.31 0.00 -2.27 0.00 0.00 64.05 61.21 1z3r n THR 6 Cb 0.28 0.62 0.09 0.00 -2.10 0.00 0.00 70.33 69.23 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 -2.73 2.54 0.86 4.78 2.02 -1.18 -5.04 117.35 118.59 1z3r s TYR 7 Ca 0.01 1.57 -0.10 0.00 -0.37 0.00 0.00 57.07 58.17 1z3r s TYR 7 Cb 0.11 -3.07 0.11 0.00 -0.40 0.00 0.00 41.96 38.71 1z3r s TYR 7 CO 0.64 -1.84 1.12 0.95 -1.57 0.00 0.00 175.55 174.85 1z3r s THR 8 N -2.87 2.61 0.37 -0.71 -4.23 -1.26 -4.44 115.64 105.11 1z3r s THR 8 Ca 0.62 0.20 -0.26 0.00 -1.18 0.00 0.00 61.69 61.07 1z3r s THR 8 Cb -0.18 -2.42 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 1z3r s THR 8 CO 0.56 -0.26 1.11 -0.04 -0.54 0.00 0.00 174.62 175.45 1z3r s MET 9 N -4.76 4.23 0.52 3.99 -1.94 -1.26 -0.20 119.30 119.87 1z3r s MET 9 Ca 0.64 1.71 -0.19 0.00 -1.71 0.00 0.00 55.69 56.14 1z3r s MET 9 Cb -0.20 -2.74 -0.07 0.00 2.01 0.00 0.00 34.83 33.83 1z3r s MET 9 CO 0.57 -0.13 1.06 0.00 -0.01 0.00 0.00 175.02 176.51 1z3r n ASP 11 N -1.26 3.21 0.09 0.00 -0.08 -1.26 -4.71 116.55 112.53 1z3r n ASP 11 Ca 0.09 0.54 0.05 0.00 -1.51 0.00 0.00 54.79 53.96 1z3r n ASP 11 Cb 0.52 -1.44 0.28 0.00 2.34 0.00 0.00 41.12 42.82 1z3r n ASP 11 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1z3r n LYS 12 N 7.95 0.07 0.00 -0.67 5.02 -1.26 -2.41 118.16 126.86 1z3r n LYS 12 Ca 0.29 0.54 0.02 0.00 -2.02 0.00 0.00 58.31 57.14 1z3r n LYS 12 Cb 0.36 -1.79 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 1z3r n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1z3r n ALA 13 N -1.60 2.53 0.45 7.82 0.00 -1.26 -1.27 120.51 127.18 1z3r n ALA 13 Ca -0.01 -0.25 0.10 0.00 0.00 0.00 0.00 53.44 53.28 1z3r n ALA 13 Cb 0.08 -0.16 0.26 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.68 2.22 -2.25 0.00 4.76 -1.01 -4.98 118.16 116.21 1z3r n LYS 14 Ca 0.01 -1.87 -0.30 0.00 -2.87 0.00 0.00 58.31 53.28 1z3r n LYS 14 Cb 0.08 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 -1.41 3.59 -0.09 2.13 0.08 -1.26 -0.36 117.98 120.66 1z3r s PHE 15 Ca 0.36 1.09 -0.09 0.00 0.12 0.00 0.00 56.93 58.41 1z3r s PHE 15 Cb 0.19 -2.54 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 1z3r s PHE 15 CO 0.26 -0.48 0.25 0.95 -0.10 0.00 0.00 175.22 176.11 1z3r s THR 16 N -2.94 0.00 -0.33 0.64 -4.23 0.40 -4.94 115.64 104.25 1z3r s THR 16 Ca 0.52 -0.02 -0.28 0.00 -1.18 0.00 0.00 61.69 60.72 1z3r s THR 16 Cb -0.11 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.36 1z3r s THR 16 CO 0.48 -0.01 1.77 0.26 -0.54 0.00 0.00 174.62 176.58 1z3r s TRP 17 N 0.08 1.85 0.07 3.99 0.23 -1.26 -0.77 118.94 123.13 1z3r s TRP 17 Ca -0.00 0.62 -0.07 0.00 -2.03 0.00 0.00 56.10 54.61 1z3r s TRP 17 Cb -0.02 -4.14 -0.28 0.00 0.03 0.00 0.00 33.47 29.06 1z3r s TRP 17 CO 0.00 -2.90 1.13 -0.22 0.96 0.00 0.00 176.95 175.92 1z3r h LYS 18 N 12.66 0.36 -2.14 4.98 3.64 -1.07 -3.44 116.57 131.55 1z3r h LYS 18 Ca -0.33 -0.57 -0.24 0.00 -1.27 0.00 0.00 60.65 58.23 1z3r h LYS 18 Cb 1.16 0.21 -0.32 0.00 -0.41 0.00 0.00 32.23 32.87 1z3r h LYS 18 CO 1.03 1.26 -0.56 0.50 -2.27 0.00 0.00 179.45 179.41 1z3r s ARG 19 N -2.73 0.30 0.71 1.90 3.52 0.18 -4.93 118.95 117.90 1z3r s ARG 19 Ca -0.05 0.26 -0.16 0.00 -0.13 0.00 0.00 55.73 55.65 1z3r s ARG 19 Cb 0.07 -0.74 0.03 0.00 -1.56 0.00 0.00 34.95 32.74 1z3r s ARG 19 CO 0.90 -0.76 1.22 0.00 -0.81 0.00 0.00 175.30 175.85 1z3r s ALA 20 N 2.44 2.18 -0.24 6.12 0.00 -1.26 -0.33 121.76 130.66 1z3r s ALA 20 Ca 0.10 0.94 -0.41 0.00 0.00 0.00 0.00 51.96 52.59 1z3r s ALA 20 Cb -0.15 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.32 1z3r s ALA 20 CO -0.19 -1.80 1.63 -2.30 0.00 0.00 0.00 175.76 173.10 1z3r n PRO 21 N -2.54 0.93 -4.04 0.00 -0.02 -1.26 -4.67 135.00 123.40 1z3r n PRO 21 Ca 0.14 0.34 -0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1z3r n PRO 21 Cb 0.50 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.90 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 2.83 0.20 0.31 3.45 -1.32 -0.35 -4.98 115.64 115.77 1z3r s THR 22 Ca 0.97 -1.62 -0.29 0.00 -1.21 0.00 0.00 61.69 59.54 1z3r s THR 22 Cb -1.13 -1.38 -0.10 0.00 -1.51 0.00 0.00 72.50 68.39 1z3r s THR 22 CO 0.65 -0.90 1.28 -0.62 -2.21 0.00 0.00 174.62 172.82 1z3r s ASP 23 N -2.77 6.85 0.44 8.08 -1.08 -1.26 -0.85 116.67 126.08 1z3r s ASP 23 Ca 0.04 2.61 0.23 0.00 -0.52 0.00 0.00 52.55 54.91 1z3r s ASP 23 Cb 0.06 -2.64 0.37 0.00 -1.46 0.00 0.00 42.92 39.24 1z3r s ASP 23 CO -0.09 -0.48 1.62 0.77 0.52 0.00 0.00 175.17 177.50 1z3r h SER 24 N 3.64 0.00 0.00 -0.34 4.64 -1.37 -3.45 113.55 116.67 1z3r h SER 24 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1z3r h SER 24 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1z3r h SER 24 CO 0.67 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 1z3r n GLY 25 N 1.07 1.31 0.64 -0.77 0.00 -1.26 -4.92 105.19 101.26 1z3r n GLY 25 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 0.26 -2.34 1.61 8.25 -1.26 -4.92 115.22 114.83 1z3r n HIS 26 Ca 0.00 -0.13 -0.19 0.00 -0.26 0.00 0.00 57.72 57.14 1z3r n HIS 26 Cb 0.00 0.00 -0.01 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 0.50 -5.44 -4.53 0.41 10.43 -1.26 -5.03 116.55 111.62 1z3r n ASP 27 Ca 0.16 -0.00 -0.25 0.00 2.57 0.00 0.00 54.79 57.27 1z3r n ASP 27 Cb 0.37 -4.50 -0.11 0.00 1.84 0.00 0.00 41.12 38.72 1z3r n ASP 27 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1z3r s THR 28 N -2.94 1.99 -0.31 -3.53 -4.23 -1.26 -4.63 115.64 100.74 1z3r s THR 28 Ca 0.00 -2.13 -0.03 0.00 -1.18 0.00 0.00 61.69 58.35 1z3r s THR 28 Cb 0.00 -2.70 0.04 0.00 1.34 0.00 0.00 72.50 71.18 1z3r s THR 28 CO 0.00 -0.16 0.03 -0.69 -0.54 0.00 0.00 174.62 173.25 1z3r s VAL 29 N -2.76 3.23 -0.01 2.29 1.01 0.12 -0.88 120.40 123.39 1z3r s VAL 29 Ca 0.33 -1.26 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 1z3r s VAL 29 Cb 0.05 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1z3r s VAL 29 CO 0.16 -0.09 0.25 0.68 0.00 0.00 0.00 175.10 176.10 1z3r s VAL 30 N 1.31 5.33 0.25 2.92 -7.23 -0.03 -1.04 120.40 121.90 1z3r s VAL 30 Ca -0.04 0.18 -0.17 0.00 -1.81 0.00 0.00 61.98 60.14 1z3r s VAL 30 Cb -0.19 -3.55 0.01 0.00 0.56 0.00 0.00 36.38 33.21 1z3r s VAL 30 CO -0.00 0.41 0.58 0.00 -0.31 0.00 0.00 175.10 175.78 1z3r s MET 31 N -1.63 1.60 -0.08 4.82 0.23 -0.74 -1.22 119.30 122.28 1z3r s MET 31 Ca 0.25 -1.05 -0.22 0.00 -1.03 0.00 0.00 55.69 53.64 1z3r s MET 31 Cb -0.13 0.54 0.05 0.00 -1.53 0.00 0.00 34.83 33.75 1z3r s MET 31 CO 0.14 -0.70 0.51 -2.00 -2.03 0.00 0.00 175.02 170.95 1z3r s GLU 32 N -3.94 0.80 0.08 3.16 2.12 0.55 -1.71 118.70 119.76 1z3r s GLU 32 Ca 0.15 0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.73 1z3r s GLU 32 Cb -0.03 0.37 -0.04 0.00 0.26 0.00 0.00 34.13 34.70 1z3r s GLU 32 CO 0.05 -0.21 -0.08 0.14 -0.54 0.00 0.00 175.26 174.62 1z3r s VAL 33 N -0.83 0.75 0.07 3.70 -7.23 0.37 -0.51 120.40 116.72 1z3r s VAL 33 Ca -0.09 -1.63 0.08 0.00 -1.81 0.00 0.00 61.98 58.53 1z3r s VAL 33 Cb -0.03 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 1z3r s VAL 33 CO 0.05 -0.65 -0.18 0.00 -0.31 0.00 0.00 175.10 174.01 1z3r s ALA 34 N -2.68 2.62 -0.11 1.32 0.00 0.05 -4.40 121.76 118.56 1z3r s ALA 34 Ca 0.04 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 1z3r s ALA 34 Cb -0.01 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.45 1z3r s ALA 34 CO -0.02 0.58 0.01 0.12 0.00 0.00 0.00 175.76 176.45 1z3r s PHE 35 N -1.00 0.81 -2.32 0.00 5.36 -1.26 -0.45 117.98 119.11 1z3r s PHE 35 Ca 0.16 -0.39 0.25 0.00 -0.96 0.00 0.00 56.93 55.99 1z3r s PHE 35 Cb -0.10 -0.89 1.05 0.00 -0.34 0.00 0.00 43.02 42.74 1z3r s PHE 35 CO 0.07 -0.42 1.73 0.43 -1.46 0.00 0.00 175.22 175.57 1z3r n SER 36 N 5.11 1.26 -1.44 6.13 7.64 0.52 -4.86 113.62 127.97 1z3r n SER 36 Ca -0.08 -1.51 0.00 0.00 1.01 0.00 0.00 58.87 58.30 1z3r n SER 36 Cb 0.49 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.11 1.26 3.30 0.23 0.00 -1.26 -5.03 105.19 104.79 1z3r n GLY 37 Ca 0.18 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1z3r n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1z3r n THR 38 N 0.00 0.00 -4.12 2.61 -2.24 -1.26 -5.08 114.28 104.19 1z3r n THR 38 Ca 0.00 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 1z3r n THR 38 Cb 0.00 -0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 67.61 1z3r n THR 38 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1z3r s LYS 39 N -3.22 0.39 0.83 -0.78 -0.14 -1.26 -4.56 119.74 111.00 1z3r s LYS 39 Ca 0.52 -0.15 -0.12 0.00 -1.36 0.00 0.00 55.97 54.87 1z3r s LYS 39 Cb -0.18 -0.39 0.09 0.00 -1.68 0.00 0.00 37.83 35.68 1z3r s LYS 39 CO 0.70 0.08 1.13 -1.25 -0.76 0.00 0.00 175.35 175.25 1z3r s PRO 40 N -0.01 1.79 0.18 -1.68 0.04 -1.26 -4.89 135.00 129.17 1z3r s PRO 40 Ca 0.01 0.39 -0.23 0.00 0.04 0.00 0.00 61.00 61.21 1z3r s PRO 40 Cb -0.03 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.66 1z3r s PRO 40 CO -0.00 -1.77 0.69 0.00 0.04 0.00 0.00 177.00 175.96 1z3r s ARG 42 N -3.71 4.30 -0.14 0.00 3.52 0.71 -1.04 118.95 122.59 1z3r s ARG 42 Ca 0.05 0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 55.82 1z3r s ARG 42 Cb -0.03 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1z3r s ARG 42 CO -0.05 0.07 1.31 0.42 -0.81 0.00 0.00 175.30 176.24 1z3r s ILE 43 N 0.90 4.18 -1.21 4.11 1.01 0.08 -0.96 121.20 129.30 1z3r s ILE 43 Ca 0.26 1.43 -0.20 0.00 0.00 0.00 0.00 60.65 62.15 1z3r s ILE 43 Cb -0.15 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1z3r s ILE 43 CO 0.10 -0.12 1.90 -0.81 0.00 0.00 0.00 174.94 176.02 1z3r n PRO 44 N 6.57 2.37 -4.31 2.79 -0.04 -1.26 -4.77 135.00 136.35 1z3r n PRO 44 Ca 0.14 -2.71 -0.34 0.00 -0.04 0.00 0.00 63.50 60.55 1z3r n PRO 44 Cb 0.45 -3.47 -0.11 0.00 -0.04 0.00 0.00 33.50 30.33 1z3r n PRO 44 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1z3r s VAL 45 N 6.51 4.25 0.13 0.52 1.01 -1.26 -0.49 120.40 131.08 1z3r s VAL 45 Ca 0.58 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 1z3r s VAL 45 Cb 0.05 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.64 1z3r s VAL 45 CO 0.08 0.53 0.50 0.00 0.00 0.00 0.00 175.10 176.21 1z3r s ARG 46 N -0.12 1.16 -0.11 2.72 1.70 -1.00 -5.04 118.95 118.26 1z3r s ARG 46 Ca 0.04 -0.55 0.02 0.00 -0.47 0.00 0.00 55.73 54.77 1z3r s ARG 46 Cb -0.13 0.52 0.01 0.00 -0.57 0.00 0.00 34.95 34.79 1z3r s ARG 46 CO 0.02 -0.48 -0.17 0.00 -1.08 0.00 0.00 175.30 173.59 1z3r s ALA 47 N -3.63 1.79 -0.11 7.88 0.00 -1.26 -0.49 121.76 125.94 1z3r s ALA 47 Ca 0.01 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1z3r s ALA 47 Cb 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1z3r s ALA 47 CO -0.11 -0.01 -0.12 0.14 0.00 0.00 0.00 175.76 175.66 1z3r s VAL 48 N 0.85 1.32 0.70 0.00 -7.23 0.03 0.21 120.40 116.27 1z3r s VAL 48 Ca -0.09 -0.51 -0.11 0.00 -1.81 0.00 0.00 61.98 59.46 1z3r s VAL 48 Cb -0.15 -1.24 0.01 0.00 0.56 0.00 0.00 36.38 35.55 1z3r s VAL 48 CO 0.00 0.41 1.06 0.00 -0.31 0.00 0.00 175.10 176.26 1z3r s ALA 49 N 1.27 2.71 -0.78 1.32 0.00 -1.26 -0.31 121.76 124.71 1z3r s ALA 49 Ca -0.02 -0.01 -0.35 0.00 0.00 0.00 0.00 51.96 51.59 1z3r s ALA 49 Cb -0.14 -3.14 -0.20 0.00 0.00 0.00 0.00 23.12 19.65 1z3r s ALA 49 CO -0.05 -1.19 2.49 1.58 0.00 0.00 0.00 175.76 178.59 1z3r n HIS 50 N -3.10 0.85 0.00 0.00 -0.00 -0.73 -1.63 115.22 110.62 1z3r n HIS 50 Ca 0.07 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.72 1z3r n HIS 50 Cb 0.54 -2.38 0.00 0.00 -0.12 0.00 0.00 29.99 28.03 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 6.76 2.34 2.62 1.57 0.00 -1.26 -5.06 105.19 112.16 1z3r n GLY 51 Ca 0.59 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.41 1.51 -1.34 4.61 0.00 -0.64 -5.00 121.76 118.49 1z3r s ALA 52 Ca 0.00 -2.06 0.27 0.00 0.00 0.00 0.00 51.96 50.17 1z3r s ALA 52 Cb 0.00 -1.71 1.34 0.00 0.00 0.00 0.00 23.12 22.75 1z3r s ALA 52 CO 0.00 -1.97 1.93 -0.35 0.00 0.00 0.00 175.76 175.36 1z3r n PRO 53 N 4.09 0.31 0.14 0.00 -0.04 -1.26 -3.47 135.00 134.77 1z3r n PRO 53 Ca 0.07 0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1z3r n PRO 53 Cb 0.37 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.51 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 -3.46 3.54 5.19 -1.96 -3.44 116.42 116.29 1z3r h ASP 54 Ca 0.00 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 55.70 1z3r h ASP 54 Cb 0.30 0.00 -0.31 0.00 0.18 0.00 0.00 39.33 39.50 1z3r h ASP 54 CO 0.00 0.61 -0.50 -0.69 -3.12 0.00 0.00 179.24 175.54 1z3r s VAL 55 N -3.59 3.78 -0.34 -1.35 1.01 -1.23 -5.05 120.40 113.63 1z3r s VAL 55 Ca -0.01 -1.71 -0.28 0.00 0.00 0.00 0.00 61.98 59.97 1z3r s VAL 55 Cb 0.12 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1z3r s VAL 55 CO 0.76 -0.59 1.70 -0.62 0.00 0.00 0.00 175.10 176.35 1z3r s ASP 56 N 2.06 6.02 0.00 3.32 2.15 -1.26 -4.19 116.67 124.76 1z3r s ASP 56 Ca 0.05 1.22 0.28 0.00 0.43 0.00 0.00 52.55 54.53 1z3r s ASP 56 Cb -0.23 -2.53 1.14 0.00 -0.30 0.00 0.00 42.92 41.00 1z3r s ASP 56 CO -0.01 -1.62 1.80 1.33 -0.17 0.00 0.00 175.17 176.50 1z3r n VAL 57 N 7.30 0.00 -2.11 1.11 0.24 0.13 -4.92 118.33 120.08 1z3r n VAL 57 Ca 0.21 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.34 61.88 1z3r n VAL 57 Cb 0.47 0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 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 -2.01 3.55 -0.47 2.33 0.00 -1.24 -4.61 121.76 119.32 1z3r s ALA 58 Ca 0.39 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.61 1z3r s ALA 58 Cb 0.21 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.95 1z3r s ALA 58 CO 0.34 -0.64 0.21 1.41 0.00 0.00 0.00 175.76 177.08 1z3r s MET 59 N -0.77 1.90 0.15 0.00 1.75 -0.22 -4.96 119.30 117.15 1z3r s MET 59 Ca 0.55 -2.32 -0.31 0.00 -1.25 0.00 0.00 55.69 52.36 1z3r s MET 59 Cb -0.39 -3.36 -0.11 0.00 2.84 0.00 0.00 34.83 33.81 1z3r s MET 59 CO 0.45 -1.06 1.78 -0.51 -0.65 0.00 0.00 175.02 175.03 1z3r s LEU 60 N 0.22 4.39 0.01 4.11 1.02 -1.26 -0.17 118.68 127.01 1z3r s LEU 60 Ca 0.14 2.78 0.22 0.00 0.02 0.00 0.00 54.13 57.29 1z3r s LEU 60 Cb -0.23 -3.58 -0.24 0.00 0.02 0.00 0.00 46.19 42.16 1z3r s LEU 60 CO -0.03 -0.98 0.66 -0.38 0.02 0.00 0.00 176.35 175.63 1z3r n ILE 61 N 4.49 0.10 -3.87 -0.59 2.08 0.64 -4.89 119.36 117.32 1z3r n ILE 61 Ca 0.17 -0.42 -0.24 0.00 0.56 0.00 0.00 62.75 62.82 1z3r n ILE 61 Cb 0.37 0.09 -0.04 0.00 -0.75 0.00 0.00 39.64 39.31 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 -3.41 2.21 1.17 1.39 -1.32 -0.66 -4.95 115.64 110.07 1z3r s THR 62 Ca -0.04 -1.52 -0.14 0.00 -1.21 0.00 0.00 61.69 58.78 1z3r s THR 62 Cb 0.14 -2.73 0.25 0.00 -1.51 0.00 0.00 72.50 68.65 1z3r s THR 62 CO 0.88 0.00 0.76 -2.65 -2.21 0.00 0.00 174.62 171.40 1z3r n PRO 63 N -1.50 -2.32 -1.41 7.08 -0.02 -1.26 -4.83 135.00 130.73 1z3r n PRO 63 Ca 0.00 -0.65 -0.49 0.00 -2.02 0.00 0.00 63.50 60.34 1z3r n PRO 63 Cb 0.64 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.95 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 -4.17 0.97 -4.76 2.55 5.15 -1.26 -4.89 115.26 108.85 1z3r n ASN 64 Ca 0.02 0.33 -0.41 0.00 -0.60 0.00 0.00 54.58 53.93 1z3r n ASN 64 Cb 0.56 -1.04 -0.04 0.00 -0.53 0.00 0.00 39.78 38.74 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 7.40 4.54 0.20 1.20 0.04 -1.26 -4.66 135.00 142.46 1z3r s PRO 65 Ca 1.22 1.91 0.08 0.00 0.04 0.00 0.00 61.00 64.25 1z3r s PRO 65 Cb -1.17 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 1z3r s PRO 65 CO 0.53 0.05 -0.15 0.95 0.04 0.00 0.00 177.00 178.42 1z3r s THR 66 N -0.86 1.73 -0.11 1.26 -4.23 -1.26 -0.75 115.64 111.42 1z3r s THR 66 Ca 0.48 -2.19 0.03 0.00 -1.18 0.00 0.00 61.69 58.83 1z3r s THR 66 Cb -0.34 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.48 1z3r s THR 66 CO 0.42 -0.58 -0.22 -0.32 -0.54 0.00 0.00 174.62 173.38 1z3r s MET 67 N -3.59 2.87 0.22 3.99 1.75 -0.21 -0.66 119.30 123.66 1z3r s MET 67 Ca 0.22 -0.81 0.09 0.00 -1.25 0.00 0.00 55.69 53.94 1z3r s MET 67 Cb -0.01 -2.25 -0.05 0.00 2.84 0.00 0.00 34.83 35.36 1z3r s MET 67 CO 0.07 0.07 -0.16 -1.21 -0.65 0.00 0.00 175.02 173.14 1z3r s GLU 68 N 0.60 1.41 0.01 4.11 2.02 -1.08 -1.54 118.70 124.24 1z3r s GLU 68 Ca -0.13 -1.61 0.20 0.00 0.02 0.00 0.00 54.97 53.45 1z3r s GLU 68 Cb -0.17 -1.31 0.87 0.00 0.10 0.00 0.00 34.13 33.62 1z3r s GLU 68 CO 0.04 0.23 1.65 0.27 0.02 0.00 0.00 175.26 177.47 1z3r n ASN 69 N -0.36 0.04 -1.59 -0.19 0.23 -1.26 -3.73 115.26 108.40 1z3r n ASN 69 Ca -0.08 0.51 -0.00 0.00 -0.53 0.00 0.00 54.58 54.47 1z3r n ASN 69 Cb 0.60 -0.52 0.08 0.00 -2.08 0.00 0.00 39.78 37.86 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 -1.54 1.90 0.00 0.53 0.23 -1.26 -5.06 115.26 110.06 1z3r n ASN 70 Ca 0.05 -2.81 0.00 0.00 -0.53 0.00 0.00 54.58 51.29 1z3r n ASN 70 Cb 0.24 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 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 -0.36 0.69 0.00 4.83 0.00 -1.24 -0.59 105.19 108.53 1z3r n GLY 71 Ca 0.16 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 0.58 0.00 -0.02 0.00 -1.26 -2.62 105.19 101.87 1z3r n GLY 72 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 0.31 0.56 3.75 -0.02 0.00 0.16 -4.88 105.19 105.07 1z3r n GLY 73 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.10 -0.11 1.61 5.36 -1.26 -0.48 117.98 124.20 1z3r s PHE 74 Ca 0.00 0.01 -0.11 0.00 -0.96 0.00 0.00 56.93 55.88 1z3r s PHE 74 Cb 0.00 -1.56 0.03 0.00 -0.34 0.00 0.00 43.02 41.15 1z3r s PHE 74 CO 0.00 0.51 0.30 0.42 -1.46 0.00 0.00 175.22 174.99 1z3r s ILE 75 N -1.47 0.00 -0.04 3.12 1.01 -0.69 -4.72 121.20 118.41 1z3r s ILE 75 Ca 0.28 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.94 1z3r s ILE 75 Cb -0.11 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 41.93 1z3r s ILE 75 CO 0.21 -0.01 -0.10 -0.70 0.00 0.00 0.00 174.94 174.34 1z3r s GLU 76 N 0.10 1.22 0.09 2.79 2.12 -1.26 -1.79 118.70 121.97 1z3r s GLU 76 Ca -0.01 -0.32 -0.02 0.00 0.36 0.00 0.00 54.97 54.99 1z3r s GLU 76 Cb -0.02 -1.09 -0.04 0.00 0.26 0.00 0.00 34.13 33.25 1z3r s GLU 76 CO 0.01 0.06 0.03 0.00 -0.54 0.00 0.00 175.26 174.82 1z3r s MET 77 N 0.46 0.78 0.19 4.30 0.23 -0.20 -0.26 119.30 124.79 1z3r s MET 77 Ca -0.08 -1.30 0.11 0.00 -1.03 0.00 0.00 55.69 53.39 1z3r s MET 77 Cb -0.12 0.24 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 1z3r s MET 77 CO 0.02 -0.20 -0.23 -1.14 -2.03 0.00 0.00 175.02 171.44 1z3r s GLN 78 N -3.97 1.48 0.03 3.16 0.74 0.76 0.12 119.66 121.98 1z3r s GLN 78 Ca 0.14 -1.50 -0.08 0.00 0.05 0.00 0.00 55.36 53.97 1z3r s GLN 78 Cb 0.07 -1.77 0.00 0.00 1.10 0.00 0.00 33.01 32.41 1z3r s GLN 78 CO -0.05 0.38 0.17 -0.51 -0.55 0.00 0.00 175.29 174.73 1z3r s LEU 79 N -2.65 1.48 0.02 3.68 1.02 -1.26 -1.05 118.68 119.91 1z3r s LEU 79 Ca 0.20 -0.33 -0.33 0.00 0.02 0.00 0.00 54.13 53.68 1z3r s LEU 79 Cb -0.08 0.82 -0.12 0.00 0.02 0.00 0.00 46.19 46.84 1z3r s LEU 79 CO 0.09 -0.49 1.83 -2.65 0.02 0.00 0.00 176.35 175.15 1z3r n PRO 80 N 0.94 2.38 -1.66 1.29 -0.02 -1.26 -4.80 135.00 131.87 1z3r n PRO 80 Ca -0.20 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1z3r n PRO 80 Cb 0.58 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 5.96 1.76 0.00 0.52 -0.02 -1.26 -4.72 135.00 137.24 1z3r n PRO 81 Ca 0.20 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1z3r n PRO 81 Cb 0.32 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.95 0.06 3.57 -1.23 0.00 -1.09 -4.93 105.19 102.51 1z3r n GLY 82 Ca 0.07 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 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 -4.00 6.48 -0.06 1.61 2.15 -1.26 -0.51 116.67 121.08 1z3r s ASP 83 Ca 0.00 0.17 0.05 0.00 0.43 0.00 0.00 52.55 53.20 1z3r s ASP 83 Cb 0.00 -2.37 -0.01 0.00 -0.30 0.00 0.00 42.92 40.24 1z3r s ASP 83 CO 0.00 -0.73 -0.22 0.20 -0.17 0.00 0.00 175.17 174.24 1z3r s ASN 84 N 1.90 2.75 -0.47 -0.34 0.01 -0.16 -1.78 114.94 116.84 1z3r s ASN 84 Ca 0.29 -0.46 -0.17 0.00 -0.71 0.00 0.00 52.86 51.81 1z3r s ASN 84 Cb -0.13 -0.82 0.06 0.00 0.41 0.00 0.00 41.25 40.77 1z3r s ASN 84 CO 0.18 0.20 0.46 -0.63 -1.51 0.00 0.00 177.10 175.80 1z3r s ILE 85 N -0.03 5.12 -0.35 0.60 1.09 0.57 -0.29 121.20 127.92 1z3r s ILE 85 Ca -0.05 -0.82 -0.18 0.00 -1.10 0.00 0.00 60.65 58.50 1z3r s ILE 85 Cb -0.14 -4.16 -0.00 0.00 -1.06 0.00 0.00 42.46 37.10 1z3r s ILE 85 CO 0.04 -0.61 0.52 -0.63 -0.10 0.00 0.00 174.94 174.15 1z3r s ILE 86 N 1.97 5.01 -0.05 2.92 1.01 -0.03 -0.79 121.20 131.23 1z3r s ILE 86 Ca 0.08 0.36 -0.05 0.00 0.00 0.00 0.00 60.65 61.04 1z3r s ILE 86 Cb -0.22 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1z3r s ILE 86 CO 0.09 -0.22 0.17 -0.31 0.00 0.00 0.00 174.94 174.67 1z3r s TYR 87 N 2.41 3.57 -0.45 3.97 2.02 0.36 -0.64 117.35 128.58 1z3r s TYR 87 Ca 0.19 0.43 0.01 0.00 -0.37 0.00 0.00 57.07 57.33 1z3r s TYR 87 Cb -0.15 -1.88 0.12 0.00 -0.40 0.00 0.00 41.96 39.65 1z3r s TYR 87 CO 0.13 0.69 0.22 0.08 -1.57 0.00 0.00 175.55 175.09 1z3r s VAL 88 N -1.20 2.92 0.00 0.71 1.01 0.29 -2.38 120.40 121.75 1z3r s VAL 88 Ca 0.22 -2.59 0.00 0.00 0.00 0.00 0.00 61.98 59.62 1z3r s VAL 88 Cb -0.12 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1z3r s VAL 88 CO 0.13 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 175.11 1z3r n GLY 89 N 3.96 2.26 0.21 4.51 0.00 0.36 -2.30 105.19 114.19 1z3r n GLY 89 Ca 0.03 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.81 1z3r n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1z3r n GLU 90 N 8.21 2.05 -2.13 1.61 4.71 -0.40 -4.94 120.64 129.75 1z3r n GLU 90 Ca 0.00 -0.49 -0.42 0.00 -0.01 0.00 0.00 57.16 56.23 1z3r n GLU 90 Cb 0.00 -1.19 -0.03 0.00 -1.01 0.00 0.00 31.44 29.21 1z3r n GLU 90 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1z3r s LEU 91 N -2.16 4.26 0.36 -4.62 2.96 -0.97 -5.02 118.68 113.49 1z3r s LEU 91 Ca 0.10 2.05 0.08 0.00 -0.22 0.00 0.00 54.13 56.14 1z3r s LEU 91 Cb 0.11 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 1z3r s LEU 91 CO 0.43 -0.89 0.25 -1.59 -1.32 0.00 0.00 176.35 173.22 1z3r s LYS 92 N 3.91 2.54 -0.03 1.98 -2.85 -1.26 -0.55 119.74 123.48 1z3r s LYS 92 Ca 0.68 -1.46 -0.03 0.00 -1.00 0.00 0.00 55.97 54.15 1z3r s LYS 92 Cb -0.30 -2.32 0.01 0.00 -2.06 0.00 0.00 37.83 33.16 1z3r s LYS 92 CO 0.25 0.03 0.09 -1.58 0.10 0.00 0.00 175.35 174.24 1z3r s HIS 93 N -2.40 -0.05 -0.58 1.78 2.46 0.18 -4.97 115.29 111.71 1z3r s HIS 93 Ca 0.41 0.14 -0.28 0.00 0.47 0.00 0.00 55.06 55.80 1z3r s HIS 93 Cb -0.04 0.01 0.03 0.00 -0.13 0.00 0.00 32.58 32.45 1z3r s HIS 93 CO 0.25 -0.09 1.16 -1.14 -2.47 0.00 0.00 174.74 172.46 1z3r s GLN 94 N -0.23 3.49 -0.41 2.88 2.00 -1.26 -0.85 119.66 125.28 1z3r s GLN 94 Ca -0.03 0.19 -0.10 0.00 -2.00 0.00 0.00 55.36 53.42 1z3r s GLN 94 Cb -0.02 -4.02 0.07 0.00 0.80 0.00 0.00 33.01 29.84 1z3r s GLN 94 CO 0.00 -1.66 0.25 -0.46 -0.50 0.00 0.00 175.29 172.92 1z3r s TRP 95 N 4.85 3.31 -0.39 1.67 -0.11 0.61 -4.99 118.94 123.89 1z3r s TRP 95 Ca 0.41 -1.41 -0.27 0.00 1.22 0.00 0.00 56.10 56.06 1z3r s TRP 95 Cb -0.08 -2.85 0.02 0.00 -1.50 0.00 0.00 33.47 29.06 1z3r s TRP 95 CO 0.25 -0.81 0.99 -0.06 -4.62 0.00 0.00 176.95 172.70 1z3r s PHE 96 N 1.45 3.02 -0.10 5.86 2.99 -1.26 -0.99 117.98 128.95 1z3r s PHE 96 Ca 0.03 0.77 -0.10 0.00 0.00 0.00 0.00 56.93 57.63 1z3r s PHE 96 Cb -0.22 -3.85 -0.05 0.00 0.00 0.00 0.00 43.02 38.90 1z3r s PHE 96 CO 0.03 -0.94 0.22 -1.14 -0.00 0.00 0.00 175.22 173.38 1z3r s GLN 97 N 3.73 3.68 -0.15 0.44 2.00 0.34 -4.94 119.66 124.76 1z3r s GLN 97 Ca 0.41 0.01 -0.03 0.00 -2.00 0.00 0.00 55.36 53.74 1z3r s GLN 97 Cb -0.11 -3.23 -0.03 0.00 0.80 0.00 0.00 33.01 30.44 1z3r s GLN 97 CO 0.22 0.68 -0.04 0.21 -0.50 0.00 0.00 175.29 175.86 1z3r s LYS 98 N -0.81 3.61 0.00 1.67 2.47 -1.26 -2.68 119.74 122.74 1z3r s LYS 98 Ca 0.17 -0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 1z3r s LYS 98 Cb -0.13 -2.89 0.00 0.00 -1.46 0.00 0.00 37.83 33.35 1z3r s LYS 98 CO 0.06 0.28 0.00 0.41 0.16 0.00 0.00 175.35 176.26