#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 -4.46 -4.10 9.51 2.88 -1.26 -4.37 113.62 111.82 1z3r n SER 2 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1z3r n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1z3r n SER 2 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1z3r n LYS 3 N -0.98 3.23 -2.89 -1.46 5.02 -1.26 -4.77 118.16 115.05 1z3r n LYS 3 Ca 0.00 -3.23 -0.41 0.00 -2.02 0.00 0.00 58.31 52.65 1z3r n LYS 3 Cb 0.00 -3.20 -0.04 0.00 -0.02 0.00 0.00 35.03 31.77 1z3r n LYS 3 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1z3r s GLY 4 N 2.76 2.18 0.10 0.72 0.00 -1.26 -4.86 107.32 106.97 1z3r s GLY 4 Ca 0.46 0.07 0.11 0.00 0.00 0.00 0.00 44.72 45.36 1z3r s GLY 4 CO -0.01 1.64 1.34 -0.10 0.00 0.00 0.00 173.10 175.97 1z3r n LEU 5 N 5.05 0.20 -0.00 0.66 7.94 -1.26 -3.31 117.00 126.29 1z3r n LEU 5 Ca 0.04 0.58 0.08 0.00 -1.11 0.00 0.00 56.01 55.59 1z3r n LEU 5 Cb 0.49 -0.58 -0.10 0.00 0.53 0.00 0.00 43.42 43.76 1z3r n LEU 5 CO 0.48 -0.54 -0.16 0.35 -1.11 0.00 0.00 177.39 176.41 1z3r n THR 6 N -1.75 0.00 -2.08 1.96 -2.24 -1.26 -5.00 114.28 103.91 1z3r n THR 6 Ca 0.01 -0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 1z3r n THR 6 Cb 0.08 0.84 0.02 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.64 2.48 0.79 4.78 2.02 -1.21 -5.02 117.35 118.54 1z3r s TYR 7 Ca 0.04 1.52 -0.11 0.00 -0.37 0.00 0.00 57.07 58.15 1z3r s TYR 7 Cb 0.12 -3.44 0.06 0.00 -0.40 0.00 0.00 41.96 38.30 1z3r s TYR 7 CO 0.67 -2.05 1.08 0.95 -1.57 0.00 0.00 175.55 174.64 1z3r s THR 8 N -1.63 3.29 0.21 -0.71 -4.23 -1.26 -4.33 115.64 106.98 1z3r s THR 8 Ca 0.76 0.42 -0.30 0.00 -1.18 0.00 0.00 61.69 61.38 1z3r s THR 8 Cb -0.29 -3.03 -0.09 0.00 1.34 0.00 0.00 72.50 70.43 1z3r s THR 8 CO 0.32 -0.55 1.34 -0.04 -0.54 0.00 0.00 174.62 175.16 1z3r s MET 9 N -5.01 4.36 0.57 3.99 -1.94 -1.26 -0.23 119.30 119.78 1z3r s MET 9 Ca 0.61 2.12 -0.20 0.00 -1.71 0.00 0.00 55.69 56.51 1z3r s MET 9 Cb -0.16 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.47 1z3r s MET 9 CO 0.56 -0.30 1.29 0.00 -0.01 0.00 0.00 175.02 176.56 1z3r n ASP 11 N -1.28 3.15 0.27 0.00 -0.08 -1.26 -4.66 116.55 112.70 1z3r n ASP 11 Ca 0.12 1.03 0.16 0.00 -1.51 0.00 0.00 54.79 54.59 1z3r n ASP 11 Cb 0.47 -1.37 0.85 0.00 2.34 0.00 0.00 41.12 43.41 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 7.51 0.00 0.00 -0.67 1.57 -1.92 -3.14 116.57 119.91 1z3r h LYS 12 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 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 0.91 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.79 1z3r n ALA 13 N -1.89 2.12 1.52 3.86 0.00 -1.26 -0.46 120.51 124.41 1z3r n ALA 13 Ca -0.02 -0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.29 1z3r n ALA 13 Cb 0.17 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.38 1.56 -2.01 0.00 4.76 -1.19 -4.96 118.16 115.94 1z3r n LYS 14 Ca 0.00 -0.86 -0.31 0.00 -2.87 0.00 0.00 58.31 54.26 1z3r n LYS 14 Cb 0.01 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 31.72 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 -2.03 3.57 -0.02 2.13 0.08 -1.26 -0.71 117.98 119.74 1z3r s PHE 15 Ca 0.38 1.34 -0.03 0.00 0.12 0.00 0.00 56.93 58.74 1z3r s PHE 15 Cb 0.21 -2.75 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 1z3r s PHE 15 CO 0.35 -0.61 0.07 0.95 -0.10 0.00 0.00 175.22 175.88 1z3r s THR 16 N -3.02 0.03 -0.41 0.64 -4.23 0.40 -4.96 115.64 104.09 1z3r s THR 16 Ca 0.56 -0.24 -0.28 0.00 -1.18 0.00 0.00 61.69 60.55 1z3r s THR 16 Cb -0.11 -0.19 -0.01 0.00 1.34 0.00 0.00 72.50 73.53 1z3r s THR 16 CO 0.48 -0.13 1.69 0.26 -0.54 0.00 0.00 174.62 176.37 1z3r s TRP 17 N -0.40 1.96 0.07 3.99 0.23 -1.26 -1.18 118.94 122.34 1z3r s TRP 17 Ca -0.05 0.65 -0.03 0.00 -2.03 0.00 0.00 56.10 54.64 1z3r s TRP 17 Cb -0.03 -4.18 -0.28 0.00 0.03 0.00 0.00 33.47 29.01 1z3r s TRP 17 CO 0.00 -2.54 1.13 -0.22 0.96 0.00 0.00 176.95 176.28 1z3r h LYS 18 N 12.60 0.25 -2.57 4.98 3.64 -1.22 -3.43 116.57 130.82 1z3r h LYS 18 Ca -0.30 -0.42 -0.43 0.00 -1.27 0.00 0.00 60.65 58.23 1z3r h LYS 18 Cb 1.15 0.16 -0.37 0.00 -0.41 0.00 0.00 32.23 32.75 1z3r h LYS 18 CO 1.09 1.19 -0.71 0.50 -2.27 0.00 0.00 179.45 179.25 1z3r s ARG 19 N -2.66 0.22 0.68 1.90 3.52 0.35 -4.93 118.95 118.03 1z3r s ARG 19 Ca -0.04 -0.25 -0.17 0.00 -0.13 0.00 0.00 55.73 55.15 1z3r s ARG 19 Cb 0.07 -1.07 0.01 0.00 -1.56 0.00 0.00 34.95 32.40 1z3r s ARG 19 CO 0.88 -0.93 1.24 0.00 -0.81 0.00 0.00 175.30 175.67 1z3r s ALA 20 N 2.22 2.27 -0.10 6.12 0.00 -1.26 -0.36 121.76 130.65 1z3r s ALA 20 Ca 0.08 1.03 -0.37 0.00 0.00 0.00 0.00 51.96 52.70 1z3r s ALA 20 Cb -0.15 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.32 1z3r s ALA 20 CO -0.29 -1.69 1.69 -2.30 0.00 0.00 0.00 175.76 173.17 1z3r n PRO 21 N -2.26 1.57 -4.08 0.00 -0.02 -1.26 -4.71 135.00 124.25 1z3r n PRO 21 Ca 0.14 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1z3r n PRO 21 Cb 0.49 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.80 0.05 0.26 3.45 -1.32 -0.21 -4.94 115.64 115.72 1z3r s THR 22 Ca 0.92 -1.68 -0.30 0.00 -1.21 0.00 0.00 61.69 59.42 1z3r s THR 22 Cb -0.89 -2.12 -0.09 0.00 -1.51 0.00 0.00 72.50 67.89 1z3r s THR 22 CO 0.55 -0.21 1.11 -0.62 -2.21 0.00 0.00 174.62 173.24 1z3r s ASP 23 N -3.05 7.24 0.00 8.08 -1.08 -1.26 -0.41 116.67 126.20 1z3r s ASP 23 Ca 0.25 2.26 0.30 0.00 -0.52 0.00 0.00 52.55 54.85 1z3r s ASP 23 Cb 0.05 -2.62 1.55 0.00 -1.46 0.00 0.00 42.92 40.44 1z3r s ASP 23 CO 0.05 -0.18 2.06 -1.54 0.52 0.00 0.00 175.17 176.08 1z3r n SER 24 N 1.42 0.09 0.00 -0.34 3.41 0.22 -4.82 113.62 113.60 1z3r n SER 24 Ca -0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1z3r n SER 24 Cb 0.45 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1z3r n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1z3r n GLY 25 N 1.23 0.94 0.16 5.00 0.00 -1.26 -4.85 105.19 106.40 1z3r n GLY 25 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.81 1.61 8.25 -1.26 -4.97 115.22 115.15 1z3r n HIS 26 Ca 0.00 -0.88 -0.20 0.00 -0.26 0.00 0.00 57.72 56.38 1z3r n HIS 26 Cb 0.00 -0.14 -0.07 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.10 -5.46 -4.79 0.41 8.00 -1.26 -5.01 116.55 107.34 1z3r n ASP 27 Ca 0.13 0.36 -0.23 0.00 0.71 0.00 0.00 54.79 55.77 1z3r n ASP 27 Cb 0.58 -4.75 -0.05 0.00 -0.02 0.00 0.00 41.12 36.88 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 -2.80 2.79 -0.20 -3.53 -4.23 -1.26 -4.73 115.64 101.67 1z3r s THR 28 Ca 0.00 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1z3r s THR 28 Cb 0.00 -3.01 0.04 0.00 1.34 0.00 0.00 72.50 70.87 1z3r s THR 28 CO 0.00 -0.08 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.22 1z3r s VAL 29 N -2.47 1.55 -0.03 2.29 1.01 0.11 -0.61 120.40 122.25 1z3r s VAL 29 Ca 0.42 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1z3r s VAL 29 Cb -0.01 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1z3r s VAL 29 CO 0.24 0.13 0.12 0.68 0.00 0.00 0.00 175.10 176.27 1z3r s VAL 30 N 1.43 5.03 0.22 2.92 -7.23 0.46 -0.84 120.40 122.39 1z3r s VAL 30 Ca -0.01 -0.23 -0.17 0.00 -1.81 0.00 0.00 61.98 59.76 1z3r s VAL 30 Cb -0.16 -3.29 0.02 0.00 0.56 0.00 0.00 36.38 33.51 1z3r s VAL 30 CO -0.08 0.40 0.54 0.00 -0.31 0.00 0.00 175.10 175.65 1z3r s MET 31 N -1.63 1.47 -0.02 4.82 0.23 -0.35 -1.05 119.30 122.76 1z3r s MET 31 Ca 0.22 -0.98 -0.20 0.00 -1.03 0.00 0.00 55.69 53.70 1z3r s MET 31 Cb -0.12 0.52 0.04 0.00 -1.53 0.00 0.00 34.83 33.74 1z3r s MET 31 CO 0.13 -0.63 0.44 -2.00 -2.03 0.00 0.00 175.02 170.93 1z3r s GLU 32 N -3.91 0.81 0.20 3.16 2.12 0.51 -1.61 118.70 119.98 1z3r s GLU 32 Ca 0.13 -0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.43 1z3r s GLU 32 Cb -0.02 0.37 -0.05 0.00 0.26 0.00 0.00 34.13 34.69 1z3r s GLU 32 CO 0.01 -0.24 0.01 0.14 -0.54 0.00 0.00 175.26 174.65 1z3r s VAL 33 N -1.32 0.78 0.05 3.70 -7.23 -0.80 -0.50 120.40 115.07 1z3r s VAL 33 Ca -0.12 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.10 1z3r s VAL 33 Cb -0.03 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1z3r s VAL 33 CO 0.06 -0.37 -0.17 0.00 -0.31 0.00 0.00 175.10 174.31 1z3r s ALA 34 N -3.59 1.41 -0.04 1.32 0.00 -0.33 -4.53 121.76 116.00 1z3r s ALA 34 Ca 0.27 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1z3r s ALA 34 Cb 0.06 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1z3r s ALA 34 CO 0.07 0.28 0.02 0.12 0.00 0.00 0.00 175.76 176.25 1z3r s PHE 35 N -0.88 0.30 -2.41 0.00 5.36 -1.26 -0.46 117.98 118.64 1z3r s PHE 35 Ca 0.04 0.04 0.27 0.00 -0.96 0.00 0.00 56.93 56.32 1z3r s PHE 35 Cb -0.08 -0.48 1.07 0.00 -0.34 0.00 0.00 43.02 43.19 1z3r s PHE 35 CO 0.02 -0.18 1.75 0.43 -1.46 0.00 0.00 175.22 175.78 1z3r n SER 36 N 4.59 1.37 0.00 6.13 7.64 0.12 -4.91 113.62 128.55 1z3r n SER 36 Ca -0.18 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.21 1z3r n SER 36 Cb 0.50 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 1.14 3.85 3.43 0.23 0.00 -1.26 -5.04 105.19 107.54 1z3r n GLY 37 Ca 0.19 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 1.60 -4.05 2.61 -2.24 -1.26 -5.06 114.28 105.88 1z3r n THR 38 Ca 0.00 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.05 1z3r n THR 38 Cb 0.00 -0.44 -0.17 0.00 -2.10 0.00 0.00 70.33 67.62 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 -1.48 1.02 0.75 -0.78 -0.14 -1.26 -4.18 119.74 113.67 1z3r s LYS 39 Ca 0.63 -0.12 -0.12 0.00 -1.36 0.00 0.00 55.97 55.01 1z3r s LYS 39 Cb -0.61 -1.11 0.04 0.00 -1.68 0.00 0.00 37.83 34.47 1z3r s LYS 39 CO 0.59 -0.17 1.12 -1.25 -0.76 0.00 0.00 175.35 174.88 1z3r s PRO 40 N 1.35 2.46 0.11 -1.68 0.04 -1.26 -4.81 135.00 131.20 1z3r s PRO 40 Ca -0.04 0.40 -0.20 0.00 0.04 0.00 0.00 61.00 61.20 1z3r s PRO 40 Cb -0.14 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.47 1z3r s PRO 40 CO -0.03 -1.30 0.50 0.00 0.04 0.00 0.00 177.00 176.21 1z3r s ARG 42 N -3.29 4.50 -0.27 0.00 3.52 0.68 -0.67 118.95 123.42 1z3r s ARG 42 Ca -0.01 1.22 -0.29 0.00 -0.13 0.00 0.00 55.73 56.53 1z3r s ARG 42 Cb 0.00 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 1z3r s ARG 42 CO -0.09 -0.05 1.37 0.42 -0.81 0.00 0.00 175.30 176.15 1z3r s ILE 43 N 1.09 4.04 -0.98 4.11 1.01 -0.00 -0.61 121.20 129.86 1z3r s ILE 43 Ca 0.46 1.18 -0.24 0.00 0.00 0.00 0.00 60.65 62.06 1z3r s ILE 43 Cb -0.19 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1z3r s ILE 43 CO 0.23 -0.40 1.79 -2.16 0.00 0.00 0.00 174.94 174.40 1z3r s PRO 44 N 4.23 2.91 -0.03 2.79 0.04 -1.26 -4.77 135.00 138.91 1z3r s PRO 44 Ca 0.60 -0.69 0.07 0.00 0.04 0.00 0.00 61.00 61.02 1z3r s PRO 44 Cb -0.19 -5.19 -0.02 0.00 0.04 0.00 0.00 34.50 29.14 1z3r s PRO 44 CO 0.24 -3.05 -0.22 0.08 0.04 0.00 0.00 177.00 174.08 1z3r s VAL 45 N 8.45 2.36 0.13 -0.36 1.01 -1.26 -0.50 120.40 130.23 1z3r s VAL 45 Ca 0.62 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 1z3r s VAL 45 Cb -0.04 -1.85 0.07 0.00 0.00 0.00 0.00 36.38 34.57 1z3r s VAL 45 CO -0.02 0.58 0.67 0.00 0.00 0.00 0.00 175.10 176.33 1z3r s ARG 46 N -0.64 1.21 -0.18 2.72 1.70 -1.19 -5.04 118.95 117.53 1z3r s ARG 46 Ca 0.10 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 1z3r s ARG 46 Cb -0.10 0.55 0.04 0.00 -0.57 0.00 0.00 34.95 34.86 1z3r s ARG 46 CO -0.01 -0.53 -0.09 0.00 -1.08 0.00 0.00 175.30 173.59 1z3r s ALA 47 N -3.63 1.82 -0.27 7.88 0.00 -1.26 -0.47 121.76 125.83 1z3r s ALA 47 Ca 0.02 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 1z3r s ALA 47 Cb -0.01 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1z3r s ALA 47 CO -0.11 -0.74 0.09 0.14 0.00 0.00 0.00 175.76 175.15 1z3r s VAL 48 N 1.48 4.37 0.54 0.00 -7.23 0.10 -0.08 120.40 119.58 1z3r s VAL 48 Ca 0.00 -0.28 -0.21 0.00 -1.81 0.00 0.00 61.98 59.69 1z3r s VAL 48 Cb -0.15 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.62 1z3r s VAL 48 CO -0.08 0.24 1.24 0.00 -0.31 0.00 0.00 175.10 176.18 1z3r s ALA 49 N 1.61 2.75 -0.74 1.32 0.00 -1.25 -0.48 121.76 124.96 1z3r s ALA 49 Ca 0.06 1.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.83 1z3r s ALA 49 Cb -0.16 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.35 1z3r s ALA 49 CO 0.04 -1.06 2.48 1.58 0.00 0.00 0.00 175.76 178.80 1z3r n HIS 50 N -1.10 0.98 0.00 0.00 -0.00 -0.52 -1.39 115.22 113.19 1z3r n HIS 50 Ca 0.11 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.45 1z3r n HIS 50 Cb 0.48 -2.34 0.00 0.00 -0.12 0.00 0.00 29.99 28.01 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 6.23 1.44 2.44 1.57 0.00 -1.26 -5.07 105.19 110.54 1z3r n GLY 51 Ca 0.51 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.26 1z3r n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z3r n ALA 52 N 0.00 2.94 0.30 4.61 0.00 -0.48 -4.98 120.51 122.90 1z3r n ALA 52 Ca 0.00 -3.49 0.19 0.00 0.00 0.00 0.00 53.44 50.13 1z3r n ALA 52 Cb 0.00 -0.82 0.99 0.00 0.00 0.00 0.00 19.45 19.62 1z3r n ALA 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1z3r h PRO 53 N 5.20 0.00 0.00 0.00 0.11 -1.91 -1.30 132.00 134.09 1z3r h PRO 53 Ca 0.21 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 1z3r h PRO 53 Cb 0.86 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1z3r h PRO 53 CO 0.47 0.00 -0.45 -0.44 -0.21 0.00 0.00 178.00 177.37 1z3r h ASP 54 N 0.00 0.00 -3.41 -2.05 5.19 -1.95 -3.44 116.42 110.76 1z3r h ASP 54 Ca 0.02 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 55.72 1z3r h ASP 54 Cb 0.32 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 39.53 1z3r h ASP 54 CO -0.00 0.45 -0.46 -0.69 -3.12 0.00 0.00 179.24 175.42 1z3r s VAL 55 N -3.69 3.99 0.03 -1.35 1.01 -0.49 -5.06 120.40 114.84 1z3r s VAL 55 Ca -0.01 -1.69 -0.30 0.00 0.00 0.00 0.00 61.98 59.98 1z3r s VAL 55 Cb 0.12 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 1z3r s VAL 55 CO 0.71 -0.64 1.76 -0.62 0.00 0.00 0.00 175.10 176.31 1z3r s ASP 56 N 2.26 6.56 0.00 3.32 2.15 -1.26 -3.81 116.67 125.90 1z3r s ASP 56 Ca 0.05 2.49 0.16 0.00 0.43 0.00 0.00 52.55 55.68 1z3r s ASP 56 Cb -0.24 -2.55 0.24 0.00 -0.30 0.00 0.00 42.92 40.08 1z3r s ASP 56 CO -0.00 -0.96 1.14 1.33 -0.17 0.00 0.00 175.17 176.51 1z3r n VAL 57 N 5.18 0.35 -2.19 1.11 0.24 0.88 -4.93 118.33 118.97 1z3r n VAL 57 Ca 0.18 -0.68 -0.41 0.00 -2.04 0.00 0.00 64.34 61.39 1z3r n VAL 57 Cb 0.41 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.80 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 -1.24 3.50 -0.48 2.33 0.00 -1.25 -4.47 121.76 120.16 1z3r s ALA 58 Ca 0.24 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.41 1z3r s ALA 58 Cb 0.15 -3.46 0.13 0.00 0.00 0.00 0.00 23.12 19.93 1z3r s ALA 58 CO 0.21 -0.54 0.23 -1.64 0.00 0.00 0.00 175.76 174.02 1z3r s MET 59 N -1.15 1.82 -0.00 0.00 -1.94 0.51 -4.95 119.30 113.59 1z3r s MET 59 Ca 0.51 -2.44 -0.30 0.00 -1.71 0.00 0.00 55.69 51.75 1z3r s MET 59 Cb -0.38 -3.19 -0.08 0.00 2.01 0.00 0.00 34.83 33.19 1z3r s MET 59 CO 0.46 -1.09 1.88 -0.51 -0.01 0.00 0.00 175.02 175.75 1z3r s LEU 60 N -0.04 4.36 -0.08 -0.03 1.43 -1.26 -0.33 118.68 122.73 1z3r s LEU 60 Ca 0.16 2.50 0.04 0.00 -1.03 0.00 0.00 54.13 55.80 1z3r s LEU 60 Cb -0.25 -3.53 -0.24 0.00 0.03 0.00 0.00 46.19 42.20 1z3r s LEU 60 CO -0.01 -1.05 0.52 -0.38 0.23 0.00 0.00 176.35 175.65 1z3r n ILE 61 N 5.62 1.68 -3.10 -0.59 2.08 0.57 -4.76 119.36 120.87 1z3r n ILE 61 Ca 0.19 -0.73 -0.32 0.00 0.56 0.00 0.00 62.75 62.45 1z3r n ILE 61 Cb 0.42 -1.34 -0.05 0.00 -0.75 0.00 0.00 39.64 37.91 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 -2.58 4.75 1.11 1.39 -1.32 -1.10 -5.01 115.64 112.88 1z3r s THR 62 Ca -0.13 0.76 -0.14 0.00 -1.21 0.00 0.00 61.69 60.98 1z3r s THR 62 Cb 0.07 -3.65 0.21 0.00 -1.51 0.00 0.00 72.50 67.62 1z3r s THR 62 CO 0.80 -0.27 0.73 -2.65 -2.21 0.00 0.00 174.62 171.02 1z3r n PRO 63 N -0.62 -1.84 -0.69 7.08 -0.02 -1.26 -4.80 135.00 132.86 1z3r n PRO 63 Ca 0.03 -0.50 -0.18 0.00 -2.02 0.00 0.00 63.50 60.83 1z3r n PRO 63 Cb 0.53 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 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 -3.77 0.03 -4.77 2.55 5.15 -1.26 -4.84 115.26 108.35 1z3r n ASN 64 Ca 0.04 0.04 -0.37 0.00 -0.60 0.00 0.00 54.58 53.68 1z3r n ASN 64 Cb 0.56 -0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 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 4.01 4.13 0.14 1.20 0.04 -1.26 -4.54 135.00 138.71 1z3r s PRO 65 Ca 0.62 1.66 0.07 0.00 0.04 0.00 0.00 61.00 63.39 1z3r s PRO 65 Cb -0.55 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1z3r s PRO 65 CO 0.23 -0.21 -0.15 0.95 0.04 0.00 0.00 177.00 177.86 1z3r s THR 66 N -1.53 1.49 -0.27 1.26 -4.23 -1.26 -0.82 115.64 110.28 1z3r s THR 66 Ca 0.57 -1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 59.23 1z3r s THR 66 Cb -0.26 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 1z3r s THR 66 CO 0.33 -0.38 0.07 -0.32 -0.54 0.00 0.00 174.62 173.77 1z3r s MET 67 N -2.72 3.42 0.22 3.99 1.75 0.15 -1.39 119.30 124.73 1z3r s MET 67 Ca 0.11 -0.63 0.05 0.00 -1.25 0.00 0.00 55.69 53.97 1z3r s MET 67 Cb -0.05 -3.33 -0.03 0.00 2.84 0.00 0.00 34.83 34.25 1z3r s MET 67 CO 0.04 -0.29 0.25 -2.00 -0.65 0.00 0.00 175.02 172.37 1z3r s GLU 68 N 1.57 3.14 0.64 4.11 2.56 -0.54 -1.35 118.70 128.83 1z3r s GLU 68 Ca 0.05 -0.87 0.36 0.00 0.00 0.00 0.00 54.97 54.50 1z3r s GLU 68 Cb -0.16 -2.73 1.98 0.00 2.00 0.00 0.00 34.13 35.22 1z3r s GLU 68 CO 0.03 0.44 2.17 -0.91 -0.56 0.00 0.00 175.26 176.43 1z3r h ASN 69 N 1.65 0.00 0.00 -1.70 4.21 -1.96 -2.95 115.58 114.82 1z3r h ASN 69 Ca -0.49 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 56.90 1z3r h ASN 69 Cb 1.22 0.00 -0.22 0.00 -1.12 0.00 0.00 38.32 38.20 1z3r h ASN 69 CO 0.62 0.00 -0.69 -3.20 -1.29 0.00 0.00 177.43 172.87 1z3r n ASN 70 N -3.28 0.32 0.00 5.81 5.15 -1.26 -5.05 115.26 116.94 1z3r n ASN 70 Ca -0.01 -1.92 0.00 0.00 -0.60 0.00 0.00 54.58 52.05 1z3r n ASN 70 Cb 0.22 -0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1z3r n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1z3r n GLY 71 N 0.25 1.11 2.34 8.20 0.00 -1.11 -5.19 105.19 110.78 1z3r n GLY 71 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.93 0.00 -0.02 0.00 -1.26 -1.46 105.19 100.51 1z3r n GLY 72 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.02 0.59 3.83 -0.02 0.00 -0.48 -4.85 105.19 104.23 1z3r n GLY 73 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 3.61 -0.01 1.61 5.36 -1.26 -1.91 117.98 123.38 1z3r s PHE 74 Ca 0.00 0.70 -0.01 0.00 -0.96 0.00 0.00 56.93 56.66 1z3r s PHE 74 Cb 0.00 -2.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 1z3r s PHE 74 CO 0.00 0.60 0.02 0.42 -1.46 0.00 0.00 175.22 174.80 1z3r s ILE 75 N -0.73 -0.00 -0.03 3.12 1.01 -0.63 -4.78 121.20 119.14 1z3r s ILE 75 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.85 1z3r s ILE 75 Cb -0.14 -0.03 0.01 0.00 0.01 0.00 0.00 42.46 42.31 1z3r s ILE 75 CO 0.07 0.00 -0.06 -0.70 0.00 0.00 0.00 174.94 174.25 1z3r s GLU 76 N 0.02 0.84 0.04 2.79 2.12 -1.26 -1.22 118.70 122.04 1z3r s GLU 76 Ca -0.00 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.14 1z3r s GLU 76 Cb -0.00 -0.81 -0.03 0.00 0.26 0.00 0.00 34.13 33.54 1z3r s GLU 76 CO -0.00 -0.00 -0.02 0.00 -0.54 0.00 0.00 175.26 174.70 1z3r s MET 77 N 0.58 0.55 0.13 4.30 0.23 -0.02 -0.31 119.30 124.76 1z3r s MET 77 Ca -0.08 -1.05 0.08 0.00 -1.03 0.00 0.00 55.69 53.60 1z3r s MET 77 Cb -0.12 0.19 -0.04 0.00 -1.53 0.00 0.00 34.83 33.34 1z3r s MET 77 CO 0.00 -0.10 -0.10 -1.14 -2.03 0.00 0.00 175.02 171.65 1z3r s GLN 78 N -3.31 2.09 0.01 3.16 0.74 0.55 0.10 119.66 122.99 1z3r s GLN 78 Ca 0.01 -1.10 -0.08 0.00 0.05 0.00 0.00 55.36 54.25 1z3r s GLN 78 Cb 0.03 -2.26 0.00 0.00 1.10 0.00 0.00 33.01 31.89 1z3r s GLN 78 CO -0.08 0.49 0.15 -0.51 -0.55 0.00 0.00 175.29 174.79 1z3r s LEU 79 N -2.37 1.50 0.16 3.68 1.02 -1.26 -0.36 118.68 121.04 1z3r s LEU 79 Ca 0.22 -0.22 -0.31 0.00 0.02 0.00 0.00 54.13 53.84 1z3r s LEU 79 Cb -0.10 0.74 -0.11 0.00 0.02 0.00 0.00 46.19 46.74 1z3r s LEU 79 CO 0.14 -0.40 1.76 -2.16 0.02 0.00 0.00 176.35 175.71 1z3r s PRO 80 N -1.56 4.14 0.63 1.29 0.04 -1.26 -4.94 135.00 133.33 1z3r s PRO 80 Ca -0.13 2.57 -0.17 0.00 0.04 0.00 0.00 61.00 63.31 1z3r s PRO 80 Cb -0.06 -3.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 1z3r s PRO 80 CO 0.01 -0.79 0.48 -2.30 0.04 0.00 0.00 177.00 174.44 1z3r n PRO 81 N 4.92 0.41 0.00 0.56 -0.02 -1.26 -4.81 135.00 134.79 1z3r n PRO 81 Ca 0.17 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1z3r n PRO 81 Cb 0.37 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 1.79 0.40 3.49 -1.23 0.00 -0.83 -4.95 105.19 103.86 1z3r n GLY 82 Ca 0.11 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 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 5.40 -0.11 1.61 3.68 -1.26 -0.09 116.67 121.89 1z3r s ASP 83 Ca 0.00 -0.15 0.00 0.00 2.13 0.00 0.00 52.55 54.54 1z3r s ASP 83 Cb 0.00 -1.98 0.02 0.00 -1.45 0.00 0.00 42.92 39.51 1z3r s ASP 83 CO 0.00 -0.04 -0.11 0.20 0.13 0.00 0.00 175.17 175.35 1z3r s ASN 84 N 1.66 2.28 -0.73 -0.34 0.01 -0.67 -1.44 114.94 115.71 1z3r s ASN 84 Ca 0.07 -0.36 -0.26 0.00 -0.71 0.00 0.00 52.86 51.59 1z3r s ASN 84 Cb -0.15 -0.95 0.04 0.00 0.41 0.00 0.00 41.25 40.59 1z3r s ASN 84 CO 0.06 -0.07 1.20 -0.63 -1.51 0.00 0.00 177.10 176.15 1z3r s ILE 85 N 1.42 3.89 -0.03 0.60 1.09 0.36 -0.56 121.20 127.96 1z3r s ILE 85 Ca 0.01 0.18 -0.25 0.00 -1.10 0.00 0.00 60.65 59.48 1z3r s ILE 85 Cb -0.13 -4.86 -0.04 0.00 -1.06 0.00 0.00 42.46 36.37 1z3r s ILE 85 CO -0.06 -1.76 0.77 -0.63 -0.10 0.00 0.00 174.94 173.16 1z3r s ILE 86 N 5.28 4.96 0.06 2.92 1.01 0.48 -0.72 121.20 135.18 1z3r s ILE 86 Ca 0.32 1.61 0.07 0.00 0.00 0.00 0.00 60.65 62.65 1z3r s ILE 86 Cb -0.10 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1z3r s ILE 86 CO 0.13 0.25 -0.16 -0.31 0.00 0.00 0.00 174.94 174.85 1z3r s TYR 87 N 0.70 2.60 -0.47 3.97 2.02 0.38 -0.60 117.35 125.96 1z3r s TYR 87 Ca 0.41 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 1z3r s TYR 87 Cb -0.19 -1.44 0.14 0.00 -0.40 0.00 0.00 41.96 40.07 1z3r s TYR 87 CO 0.21 0.32 0.27 0.08 -1.57 0.00 0.00 175.55 174.85 1z3r s VAL 88 N -1.02 1.62 0.00 0.71 1.01 -0.12 -3.20 120.40 119.40 1z3r s VAL 88 Ca 0.16 -2.80 0.00 0.00 0.00 0.00 0.00 61.98 59.35 1z3r s VAL 88 Cb -0.11 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1z3r s VAL 88 CO 0.08 -0.91 0.00 0.61 0.00 0.00 0.00 175.10 174.88 1z3r n GLY 89 N 3.32 1.51 0.12 4.51 0.00 0.35 -3.54 105.19 111.46 1z3r n GLY 89 Ca 0.10 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.33 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 5.58 2.97 -1.86 1.61 4.07 0.40 -4.95 120.64 128.46 1z3r n GLU 90 Ca 0.00 -0.34 -0.42 0.00 -0.06 0.00 0.00 57.16 56.34 1z3r n GLU 90 Cb 0.00 -0.99 -0.03 0.00 -0.06 0.00 0.00 31.44 30.36 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 -1.89 4.37 0.26 4.31 2.96 -1.22 -5.00 118.68 122.47 1z3r s LEU 91 Ca 0.06 2.63 0.02 0.00 -0.22 0.00 0.00 54.13 56.61 1z3r s LEU 91 Cb 0.07 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 1z3r s LEU 91 CO 0.28 -0.91 0.14 -1.59 -1.32 0.00 0.00 176.35 172.95 1z3r s LYS 92 N 2.07 1.42 -0.30 1.98 -2.85 -1.26 -0.94 119.74 119.86 1z3r s LYS 92 Ca 0.74 -1.78 -0.12 0.00 -1.00 0.00 0.00 55.97 53.81 1z3r s LYS 92 Cb -0.43 0.04 0.13 0.00 -2.06 0.00 0.00 37.83 35.50 1z3r s LYS 92 CO 0.33 -0.41 0.74 -1.58 0.10 0.00 0.00 175.35 174.52 1z3r s HIS 93 N -3.83 -1.15 -0.18 1.78 2.46 0.23 -4.97 115.29 109.64 1z3r s HIS 93 Ca 0.38 2.03 -0.29 0.00 0.47 0.00 0.00 55.06 57.65 1z3r s HIS 93 Cb 0.06 0.69 -0.04 0.00 -0.13 0.00 0.00 32.58 33.16 1z3r s HIS 93 CO 0.16 -0.57 1.86 -0.65 -2.47 0.00 0.00 174.74 173.07 1z3r s GLN 94 N 2.57 3.64 -0.35 2.88 -0.21 -1.26 -0.39 119.66 126.54 1z3r s GLN 94 Ca -0.06 1.91 -0.10 0.00 0.02 0.00 0.00 55.36 57.13 1z3r s GLN 94 Cb -0.10 -4.17 0.01 0.00 1.00 0.00 0.00 33.01 29.76 1z3r s GLN 94 CO -0.19 -1.50 0.18 -0.46 -2.12 0.00 0.00 175.29 171.20 1z3r s TRP 95 N 6.05 3.21 -0.47 0.91 -0.11 0.27 -4.95 118.94 123.86 1z3r s TRP 95 Ca 0.83 -0.79 -0.29 0.00 1.22 0.00 0.00 56.10 57.07 1z3r s TRP 95 Cb -0.30 -2.40 0.03 0.00 -1.50 0.00 0.00 33.47 29.29 1z3r s TRP 95 CO 0.34 -0.56 1.19 -0.06 -4.62 0.00 0.00 176.95 173.23 1z3r s PHE 96 N 1.58 2.73 -0.18 5.86 0.08 -1.26 -1.67 117.98 125.13 1z3r s PHE 96 Ca 0.03 0.71 -0.07 0.00 0.12 0.00 0.00 56.93 57.72 1z3r s PHE 96 Cb -0.18 -4.42 -0.04 0.00 -0.57 0.00 0.00 43.02 37.81 1z3r s PHE 96 CO 0.06 -1.41 0.05 -1.14 -0.10 0.00 0.00 175.22 172.68 1z3r s GLN 97 N 4.56 3.94 0.13 0.44 -0.44 0.87 -4.96 119.66 124.20 1z3r s GLN 97 Ca 0.51 -0.37 0.10 0.00 -2.50 0.00 0.00 55.36 53.10 1z3r s GLN 97 Cb -0.08 -3.17 -0.04 0.00 -1.64 0.00 0.00 33.01 28.08 1z3r s GLN 97 CO 0.32 0.27 -0.21 -1.59 0.50 0.00 0.00 175.29 174.58 1z3r s LYS 98 N 0.35 1.64 0.00 1.67 0.00 -1.26 -1.96 119.74 120.19 1z3r s LYS 98 Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 55.97 54.71 1z3r s LYS 98 Cb -0.13 -2.02 0.00 0.00 0.00 0.00 0.00 37.83 35.69 1z3r s LYS 98 CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 175.35 176.22