#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 0.81 -2.86 4.38 3.41 -1.26 -4.84 113.62 113.25 1z3r n SER 2 Ca 0.00 -0.51 -0.21 0.00 -0.26 0.00 0.00 58.87 57.89 1z3r n SER 2 Cb 0.00 -1.18 -0.05 0.00 -0.26 0.00 0.00 64.21 62.72 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 8.08 2.24 -1.91 4.33 4.76 -1.26 -4.73 118.16 129.67 1z3r n LYS 3 Ca 0.54 -1.38 -0.42 0.00 -2.87 0.00 0.00 58.31 54.18 1z3r n LYS 3 Cb 0.28 -2.33 -0.03 0.00 -1.84 0.00 0.00 35.03 31.11 1z3r n LYS 3 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1z3r s GLY 4 N 2.76 1.41 0.00 0.72 0.00 -1.26 -4.63 107.32 106.31 1z3r s GLY 4 Ca 0.49 0.96 0.06 0.00 0.00 0.00 0.00 44.72 46.23 1z3r s GLY 4 CO -0.03 3.19 1.06 1.04 0.00 0.00 0.00 173.10 178.36 1z3r n LEU 5 N 7.69 0.00 -0.01 0.66 4.77 -1.26 -3.44 117.00 125.41 1z3r n LEU 5 Ca 0.19 0.34 0.07 0.00 -0.03 0.00 0.00 56.01 56.58 1z3r n LEU 5 Cb 0.43 -0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 1z3r n LEU 5 CO 0.64 -0.27 -0.66 0.35 -1.33 0.00 0.00 177.39 176.12 1z3r n THR 6 N -1.34 0.00 -2.19 -5.08 -2.24 -1.26 -5.04 114.28 97.12 1z3r n THR 6 Ca 0.02 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 1z3r n THR 6 Cb 0.05 0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.97 2.98 0.89 4.78 2.02 -1.22 -5.05 117.35 118.78 1z3r s TYR 7 Ca -0.05 1.53 -0.12 0.00 -0.37 0.00 0.00 57.07 58.06 1z3r s TYR 7 Cb 0.09 -3.04 0.13 0.00 -0.40 0.00 0.00 41.96 38.74 1z3r s TYR 7 CO 0.59 -1.06 1.09 -0.08 -1.57 0.00 0.00 175.55 174.52 1z3r s THR 8 N -2.29 2.67 0.35 -0.71 -1.32 -1.26 -4.42 115.64 108.65 1z3r s THR 8 Ca 0.65 0.22 -0.27 0.00 -1.21 0.00 0.00 61.69 61.08 1z3r s THR 8 Cb -0.16 -2.71 -0.09 0.00 -1.51 0.00 0.00 72.50 68.02 1z3r s THR 8 CO 0.32 -0.28 1.10 -0.04 -2.21 0.00 0.00 174.62 173.50 1z3r s MET 9 N -4.94 4.34 0.66 7.08 -1.94 -1.26 0.01 119.30 123.25 1z3r s MET 9 Ca 0.63 1.71 -0.15 0.00 -1.71 0.00 0.00 55.69 56.17 1z3r s MET 9 Cb -0.18 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.82 1z3r s MET 9 CO 0.57 -0.03 1.11 0.00 -0.01 0.00 0.00 175.02 176.66 1z3r s ASP 11 N -2.64 6.04 0.27 0.00 -1.08 -1.26 -4.71 116.67 113.29 1z3r s ASP 11 Ca 0.67 2.26 0.16 0.00 -0.52 0.00 0.00 52.55 55.11 1z3r s ASP 11 Cb -0.20 -2.52 0.85 0.00 -1.46 0.00 0.00 42.92 39.59 1z3r s ASP 11 CO 0.42 -1.44 1.44 0.29 0.52 0.00 0.00 175.17 176.40 1z3r n LYS 12 N 8.05 0.10 -0.01 4.34 5.02 -1.26 -2.53 118.16 131.87 1z3r n LYS 12 Ca 0.24 0.58 0.02 0.00 -2.02 0.00 0.00 58.31 57.14 1z3r n LYS 12 Cb 0.43 -1.94 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 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 -1.66 2.45 -0.66 7.82 0.00 -1.26 -0.89 120.51 126.31 1z3r n ALA 13 Ca -0.01 -0.59 0.08 0.00 0.00 0.00 0.00 53.44 52.92 1z3r n ALA 13 Cb 0.12 -0.16 0.31 0.00 0.00 0.00 0.00 19.45 19.72 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 0.23 3.52 -3.21 0.00 4.76 -1.05 -5.02 118.16 117.39 1z3r n LYS 14 Ca 0.03 -2.77 -0.25 0.00 -2.87 0.00 0.00 58.31 52.45 1z3r n LYS 14 Cb 0.14 -1.81 -0.01 0.00 -1.84 0.00 0.00 35.03 31.50 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 -2.02 3.51 -0.01 2.13 0.08 -1.26 -0.38 117.98 120.02 1z3r s PHE 15 Ca 0.45 0.48 -0.02 0.00 0.12 0.00 0.00 56.93 57.96 1z3r s PHE 15 Cb 0.31 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.75 1z3r s PHE 15 CO 0.19 0.04 0.04 0.95 -0.10 0.00 0.00 175.22 176.34 1z3r s THR 16 N -2.39 0.01 -0.50 0.64 -4.23 0.60 -4.96 115.64 104.82 1z3r s THR 16 Ca 0.42 -0.07 -0.28 0.00 -1.18 0.00 0.00 61.69 60.58 1z3r s THR 16 Cb -0.10 -0.09 -0.01 0.00 1.34 0.00 0.00 72.50 73.64 1z3r s THR 16 CO 0.37 -0.04 1.66 0.26 -0.54 0.00 0.00 174.62 176.33 1z3r s TRP 17 N -0.10 1.97 0.23 3.99 0.23 -1.26 -1.13 118.94 122.85 1z3r s TRP 17 Ca -0.01 0.63 0.01 0.00 -2.03 0.00 0.00 56.10 54.70 1z3r s TRP 17 Cb -0.01 -4.22 0.23 0.00 0.03 0.00 0.00 33.47 29.50 1z3r s TRP 17 CO 0.00 -2.35 1.56 -0.22 0.96 0.00 0.00 176.95 176.91 1z3r h LYS 18 N 12.77 0.39 -1.54 4.98 3.64 -1.22 -3.44 116.57 132.15 1z3r h LYS 18 Ca -0.28 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 1z3r h LYS 18 Cb 1.14 0.02 -0.25 0.00 -0.41 0.00 0.00 32.23 32.73 1z3r h LYS 18 CO 1.14 0.83 -0.36 0.50 -2.27 0.00 0.00 179.45 179.29 1z3r s ARG 19 N -3.96 0.45 0.77 1.90 3.52 0.41 -4.93 118.95 117.12 1z3r s ARG 19 Ca -0.06 0.82 -0.13 0.00 -0.13 0.00 0.00 55.73 56.23 1z3r s ARG 19 Cb 0.12 0.09 0.06 0.00 -1.56 0.00 0.00 34.95 33.66 1z3r s ARG 19 CO 0.81 -0.59 1.17 0.00 -0.81 0.00 0.00 175.30 175.89 1z3r s ALA 20 N 2.71 2.00 -0.27 6.12 0.00 -1.26 -0.37 121.76 130.68 1z3r s ALA 20 Ca 0.15 0.73 -0.40 0.00 0.00 0.00 0.00 51.96 52.43 1z3r s ALA 20 Cb -0.15 -3.44 -0.16 0.00 0.00 0.00 0.00 23.12 19.38 1z3r s ALA 20 CO -0.18 -2.04 1.71 -2.30 0.00 0.00 0.00 175.76 172.94 1z3r n PRO 21 N -3.15 1.08 -4.16 0.00 -0.02 -1.26 -4.62 135.00 122.86 1z3r n PRO 21 Ca 0.12 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1z3r n PRO 21 Cb 0.51 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.31 0.17 0.17 3.45 -1.32 -0.14 -4.98 115.64 116.29 1z3r s THR 22 Ca 0.98 -1.92 -0.31 0.00 -1.21 0.00 0.00 61.69 59.23 1z3r s THR 22 Cb -1.09 -2.05 -0.09 0.00 -1.51 0.00 0.00 72.50 67.75 1z3r s THR 22 CO 0.66 -0.47 1.45 -0.62 -2.21 0.00 0.00 174.62 173.43 1z3r s ASP 23 N -3.06 6.72 0.00 8.08 -1.08 -1.26 -0.87 116.67 125.19 1z3r s ASP 23 Ca 0.24 2.50 0.23 0.00 -0.52 0.00 0.00 52.55 55.00 1z3r s ASP 23 Cb 0.07 -2.60 1.11 0.00 -1.46 0.00 0.00 42.92 40.04 1z3r s ASP 23 CO 0.02 -0.71 1.75 -1.54 0.52 0.00 0.00 175.17 175.21 1z3r n SER 24 N 3.51 0.00 0.00 -0.34 3.41 -0.09 -4.80 113.62 115.31 1z3r n SER 24 Ca 0.11 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1z3r n SER 24 Cb 0.41 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.71 1.11 0.04 5.00 0.00 -1.26 -4.90 105.19 105.89 1z3r n GLY 25 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -1.33 1.61 8.25 -1.26 -4.97 115.22 115.52 1z3r n HIS 26 Ca 0.00 -0.63 -0.11 0.00 -0.26 0.00 0.00 57.72 56.72 1z3r n HIS 26 Cb 0.00 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 30.98 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 -0.78 -5.31 -4.87 0.41 8.00 -1.26 -5.00 116.55 107.73 1z3r n ASP 27 Ca 0.06 0.28 -0.22 0.00 0.71 0.00 0.00 54.79 55.62 1z3r n ASP 27 Cb 0.42 -3.82 -0.03 0.00 -0.02 0.00 0.00 41.12 37.67 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 -2.11 2.53 -0.17 -3.53 -4.23 -1.26 -4.69 115.64 102.17 1z3r s THR 28 Ca 0.00 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1z3r s THR 28 Cb 0.00 -2.90 0.03 0.00 1.34 0.00 0.00 72.50 70.97 1z3r s THR 28 CO 0.00 0.00 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.26 1z3r s VAL 29 N -2.52 1.63 -0.00 2.29 1.01 0.11 -0.91 120.40 122.00 1z3r s VAL 29 Ca 0.47 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1z3r s VAL 29 Cb -0.03 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1z3r s VAL 29 CO 0.27 0.33 0.01 0.68 0.00 0.00 0.00 175.10 176.39 1z3r s VAL 30 N 1.44 4.21 0.24 2.92 -7.23 -0.05 -1.10 120.40 120.83 1z3r s VAL 30 Ca 0.02 -0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.43 1z3r s VAL 30 Cb -0.14 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 33.93 1z3r s VAL 30 CO -0.10 0.38 0.60 0.00 -0.31 0.00 0.00 175.10 175.67 1z3r s MET 31 N -1.57 1.57 -0.14 4.82 0.23 -0.93 -0.97 119.30 122.31 1z3r s MET 31 Ca 0.20 -0.96 -0.17 0.00 -1.03 0.00 0.00 55.69 53.73 1z3r s MET 31 Cb -0.12 0.55 0.04 0.00 -1.53 0.00 0.00 34.83 33.78 1z3r s MET 31 CO 0.10 -0.69 0.45 -2.00 -2.03 0.00 0.00 175.02 170.86 1z3r s GLU 32 N -3.91 0.58 0.11 3.16 2.12 0.50 -1.65 118.70 119.62 1z3r s GLU 32 Ca 0.12 0.50 0.03 0.00 0.36 0.00 0.00 54.97 55.98 1z3r s GLU 32 Cb -0.03 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 1z3r s GLU 32 CO 0.03 -0.10 -0.08 0.14 -0.54 0.00 0.00 175.26 174.71 1z3r s VAL 33 N -0.06 0.88 0.05 3.70 -7.23 -0.23 -0.45 120.40 117.06 1z3r s VAL 33 Ca -0.03 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 1z3r s VAL 33 Cb -0.03 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1z3r s VAL 33 CO 0.02 -0.77 -0.12 0.00 -0.31 0.00 0.00 175.10 173.91 1z3r s ALA 34 N -3.28 1.02 -0.15 1.32 0.00 -0.29 -4.27 121.76 116.11 1z3r s ALA 34 Ca 0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 1z3r s ALA 34 Cb 0.03 -0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.10 1z3r s ALA 34 CO -0.02 0.16 0.16 0.12 0.00 0.00 0.00 175.76 176.18 1z3r s PHE 35 N -1.01 -0.11 -2.00 0.00 5.36 -1.26 -0.29 117.98 118.67 1z3r s PHE 35 Ca -0.01 0.21 0.16 0.00 -0.96 0.00 0.00 56.93 56.33 1z3r s PHE 35 Cb -0.08 -0.42 0.96 0.00 -0.34 0.00 0.00 43.02 43.14 1z3r s PHE 35 CO 0.01 -0.46 1.46 0.43 -1.46 0.00 0.00 175.22 175.20 1z3r n SER 36 N 5.31 0.00 -0.07 6.13 7.64 0.48 -4.80 113.62 128.31 1z3r n SER 36 Ca -0.05 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1z3r n SER 36 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.43 1.88 3.37 0.23 0.00 -1.26 -5.05 105.19 104.79 1z3r n GLY 37 Ca 0.12 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 -3.69 2.61 -2.24 -1.26 -5.09 114.28 104.61 1z3r n THR 38 Ca 0.00 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.40 1z3r n THR 38 Cb 0.00 -0.60 -0.15 0.00 -2.10 0.00 0.00 70.33 67.48 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 -3.55 0.05 0.90 -0.78 -0.14 -1.26 -4.49 119.74 110.47 1z3r s LYS 39 Ca 0.56 0.49 -0.13 0.00 -1.36 0.00 0.00 55.97 55.54 1z3r s LYS 39 Cb -0.19 -0.25 0.13 0.00 -1.68 0.00 0.00 37.83 35.84 1z3r s LYS 39 CO 0.68 -0.26 1.16 -1.25 -0.76 0.00 0.00 175.35 174.91 1z3r s PRO 40 N 1.93 1.22 0.17 -1.68 0.04 -1.26 -4.91 135.00 130.51 1z3r s PRO 40 Ca -0.01 0.19 -0.18 0.00 0.04 0.00 0.00 61.00 61.04 1z3r s PRO 40 Cb -0.12 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1z3r s PRO 40 CO -0.06 -2.12 0.51 0.00 0.04 0.00 0.00 177.00 175.37 1z3r s ARG 42 N -3.83 4.30 -0.21 0.00 3.52 0.10 -0.60 118.95 122.23 1z3r s ARG 42 Ca 0.06 0.48 -0.29 0.00 -0.13 0.00 0.00 55.73 55.85 1z3r s ARG 42 Cb -0.00 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 1z3r s ARG 42 CO -0.07 0.05 1.38 0.42 -0.81 0.00 0.00 175.30 176.26 1z3r s ILE 43 N 0.98 4.06 -1.17 4.11 1.01 -0.08 -0.66 121.20 129.45 1z3r s ILE 43 Ca 0.27 1.25 -0.22 0.00 0.00 0.00 0.00 60.65 61.94 1z3r s ILE 43 Cb -0.15 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1z3r s ILE 43 CO 0.11 -0.27 1.88 -2.16 0.00 0.00 0.00 174.94 174.50 1z3r s PRO 44 N 3.98 2.84 -0.05 2.79 0.04 -1.26 -4.80 135.00 138.54 1z3r s PRO 44 Ca 0.60 -1.24 0.03 0.00 0.04 0.00 0.00 61.00 60.43 1z3r s PRO 44 Cb -0.22 -5.29 -0.03 0.00 0.04 0.00 0.00 34.50 29.01 1z3r s PRO 44 CO 0.21 -3.51 -0.13 0.08 0.04 0.00 0.00 177.00 173.70 1z3r s VAL 45 N 9.34 3.21 0.16 -0.36 1.01 -1.26 -0.37 120.40 132.13 1z3r s VAL 45 Ca 0.65 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 1z3r s VAL 45 Cb -0.00 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 34.16 1z3r s VAL 45 CO 0.10 0.59 0.58 0.00 0.00 0.00 0.00 175.10 176.36 1z3r s ARG 46 N -0.77 1.28 -0.10 2.72 1.70 -1.09 -5.04 118.95 117.65 1z3r s ARG 46 Ca 0.12 -0.53 0.01 0.00 -0.47 0.00 0.00 55.73 54.86 1z3r s ARG 46 Cb -0.11 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 1z3r s ARG 46 CO 0.01 -0.55 -0.13 0.00 -1.08 0.00 0.00 175.30 173.55 1z3r s ALA 47 N -3.77 1.48 -0.21 7.88 0.00 -1.26 -0.55 121.76 125.34 1z3r s ALA 47 Ca 0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1z3r s ALA 47 Cb -0.01 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.36 1z3r s ALA 47 CO -0.12 -0.09 -0.12 0.14 0.00 0.00 0.00 175.76 175.57 1z3r s VAL 48 N 1.04 2.63 0.61 0.00 -7.23 0.24 -0.09 120.40 117.60 1z3r s VAL 48 Ca -0.07 -0.82 -0.17 0.00 -1.81 0.00 0.00 61.98 59.11 1z3r s VAL 48 Cb -0.15 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1z3r s VAL 48 CO -0.01 0.43 1.13 0.00 -0.31 0.00 0.00 175.10 176.33 1z3r s ALA 49 N 1.35 2.56 -0.78 1.32 0.00 -1.26 -0.48 121.76 124.47 1z3r s ALA 49 Ca 0.04 0.71 -0.23 0.00 0.00 0.00 0.00 51.96 52.48 1z3r s ALA 49 Cb -0.14 -3.35 -0.17 0.00 0.00 0.00 0.00 23.12 19.46 1z3r s ALA 49 CO -0.08 -1.07 2.39 1.58 0.00 0.00 0.00 175.76 178.58 1z3r n HIS 50 N -1.89 0.96 0.00 0.00 -0.00 -0.05 -1.52 115.22 112.72 1z3r n HIS 50 Ca 0.11 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.34 1z3r n HIS 50 Cb 0.51 -2.22 0.00 0.00 -0.12 0.00 0.00 29.99 28.16 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 6.38 1.25 2.54 1.57 0.00 -1.26 -5.03 105.19 110.63 1z3r n GLY 51 Ca 0.50 0.00 -0.20 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 -0.82 0.27 0.64 4.61 0.00 -0.58 -4.97 121.76 120.92 1z3r s ALA 52 Ca 0.00 -1.72 0.28 0.00 0.00 0.00 0.00 51.96 50.52 1z3r s ALA 52 Cb 0.00 -1.92 1.52 0.00 0.00 0.00 0.00 23.12 22.71 1z3r s ALA 52 CO 0.00 -2.07 1.88 -1.35 0.00 0.00 0.00 175.76 174.22 1z3r h PRO 53 N 5.79 0.00 0.00 0.00 0.11 -1.90 -2.34 132.00 133.65 1z3r h PRO 53 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1z3r h PRO 53 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1z3r h PRO 53 CO 0.25 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.60 1z3r h ASP 54 N 0.00 0.00 -3.81 -2.05 3.32 -1.94 -3.43 116.42 108.51 1z3r h ASP 54 Ca 0.07 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.47 1z3r h ASP 54 Cb 0.88 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.06 1z3r h ASP 54 CO -0.00 0.00 -0.80 -0.69 -1.72 0.00 0.00 179.24 176.03 1z3r s VAL 55 N -3.77 1.99 -0.17 -1.35 1.01 -0.88 -5.08 120.40 112.15 1z3r s VAL 55 Ca -0.00 -1.52 -0.29 0.00 0.00 0.00 0.00 61.98 60.16 1z3r s VAL 55 Cb 0.10 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1z3r s VAL 55 CO 0.50 -0.05 1.72 -0.62 0.00 0.00 0.00 175.10 176.65 1z3r s ASP 56 N 1.18 6.33 0.00 3.32 2.15 -1.26 -4.11 116.67 124.27 1z3r s ASP 56 Ca -0.08 1.83 0.24 0.00 0.43 0.00 0.00 52.55 54.96 1z3r s ASP 56 Cb -0.20 -2.53 0.32 0.00 -0.30 0.00 0.00 42.92 40.22 1z3r s ASP 56 CO -0.05 -1.27 1.34 1.33 -0.17 0.00 0.00 175.17 176.35 1z3r n VAL 57 N 6.34 0.29 -2.16 1.11 0.24 0.87 -4.93 118.33 120.10 1z3r n VAL 57 Ca 0.20 -0.64 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 1z3r n VAL 57 Cb 0.44 1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 34.00 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 -1.71 3.22 -0.57 2.33 0.00 -1.25 -4.48 121.76 119.31 1z3r s ALA 58 Ca 0.34 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.50 1z3r s ALA 58 Cb 0.22 -3.87 0.14 0.00 0.00 0.00 0.00 23.12 19.61 1z3r s ALA 58 CO 0.31 -2.03 0.51 -1.64 0.00 0.00 0.00 175.76 172.91 1z3r s MET 59 N 4.73 2.99 0.15 0.00 -1.94 0.18 -4.94 119.30 120.48 1z3r s MET 59 Ca 0.69 -1.83 -0.31 0.00 -1.71 0.00 0.00 55.69 52.53 1z3r s MET 59 Cb -0.23 -4.26 -0.10 0.00 2.01 0.00 0.00 34.83 32.26 1z3r s MET 59 CO 0.29 -1.30 1.62 -0.51 -0.01 0.00 0.00 175.02 175.11 1z3r s LEU 60 N 1.35 4.37 -0.11 -0.03 1.02 -1.26 -0.39 118.68 123.63 1z3r s LEU 60 Ca 0.06 2.64 0.16 0.00 0.02 0.00 0.00 54.13 57.01 1z3r s LEU 60 Cb -0.27 -3.59 -0.23 0.00 0.02 0.00 0.00 46.19 42.12 1z3r s LEU 60 CO 0.01 -0.87 0.40 -0.38 0.02 0.00 0.00 176.35 175.53 1z3r n ILE 61 N 4.14 1.40 -4.00 -0.59 2.08 0.42 -4.88 119.36 117.93 1z3r n ILE 61 Ca 0.15 -0.80 -0.22 0.00 0.56 0.00 0.00 62.75 62.43 1z3r n ILE 61 Cb 0.38 -0.70 -0.03 0.00 -0.75 0.00 0.00 39.64 38.55 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 -2.62 5.09 0.92 1.39 -1.32 -0.79 -4.99 115.64 113.31 1z3r s THR 62 Ca -0.07 -1.01 -0.10 0.00 -1.21 0.00 0.00 61.69 59.30 1z3r s THR 62 Cb 0.07 -3.73 0.14 0.00 -1.51 0.00 0.00 72.50 67.47 1z3r s THR 62 CO 0.83 -0.28 1.11 -2.65 -2.21 0.00 0.00 174.62 171.42 1z3r n PRO 63 N -1.15 -0.43 -0.17 7.08 -0.02 -1.26 -4.76 135.00 134.29 1z3r n PRO 63 Ca -0.08 -0.06 -0.04 0.00 -2.02 0.00 0.00 63.50 61.30 1z3r n PRO 63 Cb 0.56 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 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 -4.05 -0.01 -4.81 2.55 5.15 -1.26 -4.83 115.26 108.00 1z3r n ASN 64 Ca 0.12 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.76 1z3r n ASN 64 Cb 0.52 -0.10 -0.06 0.00 -0.53 0.00 0.00 39.78 39.61 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 0.98 4.19 0.07 1.20 0.04 -1.26 -4.27 135.00 135.96 1z3r s PRO 65 Ca 0.15 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1z3r s PRO 65 Cb -0.13 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1z3r s PRO 65 CO 0.06 -0.07 -0.07 0.95 0.04 0.00 0.00 177.00 177.91 1z3r s THR 66 N -2.01 0.61 -0.15 1.26 -4.23 -1.26 -0.91 115.64 108.95 1z3r s THR 66 Ca 0.61 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1z3r s THR 66 Cb -0.13 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1z3r s THR 66 CO 0.17 -0.65 -0.17 -0.32 -0.54 0.00 0.00 174.62 173.12 1z3r s MET 67 N -2.77 3.17 0.18 3.99 1.75 0.23 -0.77 119.30 125.07 1z3r s MET 67 Ca 0.01 -0.77 0.03 0.00 -1.25 0.00 0.00 55.69 53.71 1z3r s MET 67 Cb -0.02 -2.58 -0.05 0.00 2.84 0.00 0.00 34.83 35.03 1z3r s MET 67 CO -0.02 0.01 -0.02 -1.21 -0.65 0.00 0.00 175.02 173.13 1z3r s GLU 68 N 0.80 1.13 0.16 4.11 2.02 -1.12 -1.20 118.70 124.60 1z3r s GLU 68 Ca -0.06 -1.54 0.24 0.00 0.02 0.00 0.00 54.97 53.63 1z3r s GLU 68 Cb -0.15 -0.41 0.91 0.00 0.10 0.00 0.00 34.13 34.58 1z3r s GLU 68 CO -0.00 -0.08 1.72 0.27 0.02 0.00 0.00 175.26 177.20 1z3r n ASN 69 N -0.26 0.49 -0.58 -0.19 6.94 -1.26 -4.01 115.26 116.39 1z3r n ASN 69 Ca -0.07 0.58 0.06 0.00 -0.02 0.00 0.00 54.58 55.13 1z3r n ASN 69 Cb 0.63 -0.70 0.14 0.00 -2.36 0.00 0.00 39.78 37.48 1z3r n ASN 69 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1z3r n ASN 70 N -2.00 1.60 0.00 0.53 0.23 -1.26 -5.07 115.26 109.30 1z3r n ASN 70 Ca 0.04 -3.16 0.00 0.00 -0.53 0.00 0.00 54.58 50.93 1z3r n ASN 70 Cb 0.30 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 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 -0.84 0.36 0.63 4.83 0.00 -1.26 -0.26 105.19 108.65 1z3r n GLY 71 Ca 0.14 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.18 0.68 -0.02 0.00 -1.26 -2.81 105.19 98.60 1z3r n GLY 72 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.29 2.71 3.86 -0.02 0.00 0.05 -4.85 105.19 106.64 1z3r n GLY 73 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.53 3.50 -0.06 1.61 5.36 -1.26 -1.07 117.98 123.53 1z3r s PHE 74 Ca 0.00 0.94 -0.11 0.00 -0.96 0.00 0.00 56.93 56.79 1z3r s PHE 74 Cb 0.00 -2.30 0.02 0.00 -0.34 0.00 0.00 43.02 40.41 1z3r s PHE 74 CO 0.00 0.34 0.28 0.42 -1.46 0.00 0.00 175.22 174.80 1z3r s ILE 75 N -1.67 0.03 -0.03 3.12 1.01 -0.66 -4.73 121.20 118.27 1z3r s ILE 75 Ca 0.43 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1z3r s ILE 75 Cb -0.13 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 41.87 1z3r s ILE 75 CO 0.20 -0.13 -0.06 -0.70 0.00 0.00 0.00 174.94 174.25 1z3r s GLU 76 N -0.53 0.81 0.09 2.79 2.12 -1.26 -2.19 118.70 120.53 1z3r s GLU 76 Ca -0.06 -0.20 -0.03 0.00 0.36 0.00 0.00 54.97 55.04 1z3r s GLU 76 Cb -0.04 -0.78 -0.03 0.00 0.26 0.00 0.00 34.13 33.54 1z3r s GLU 76 CO 0.02 0.03 0.07 0.00 -0.54 0.00 0.00 175.26 174.83 1z3r s MET 77 N 0.45 0.79 0.12 4.30 0.23 -0.26 -0.43 119.30 124.50 1z3r s MET 77 Ca -0.06 -1.22 0.10 0.00 -1.03 0.00 0.00 55.69 53.48 1z3r s MET 77 Cb -0.10 0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 33.42 1z3r s MET 77 CO 0.00 -0.21 -0.25 -1.14 -2.03 0.00 0.00 175.02 171.39 1z3r s GLN 78 N -3.95 1.35 0.06 3.16 0.74 0.47 0.05 119.66 121.54 1z3r s GLN 78 Ca 0.12 -1.28 -0.01 0.00 0.05 0.00 0.00 55.36 54.25 1z3r s GLN 78 Cb 0.07 -1.76 -0.04 0.00 1.10 0.00 0.00 33.01 32.37 1z3r s GLN 78 CO -0.06 0.42 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.57 1z3r s LEU 79 N -1.95 2.43 0.03 3.68 1.02 -1.26 -0.65 118.68 121.98 1z3r s LEU 79 Ca 0.12 -1.02 -0.34 0.00 0.02 0.00 0.00 54.13 52.91 1z3r s LEU 79 Cb -0.10 0.20 -0.13 0.00 0.02 0.00 0.00 46.19 46.18 1z3r s LEU 79 CO 0.05 -0.61 1.74 -2.65 0.02 0.00 0.00 176.35 174.90 1z3r n PRO 80 N 0.09 2.18 -1.64 1.29 -0.02 -1.26 -4.96 135.00 130.67 1z3r n PRO 80 Ca -0.13 0.79 -0.55 0.00 -2.02 0.00 0.00 63.50 61.59 1z3r n PRO 80 Cb 0.61 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 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 5.13 1.12 0.00 0.52 -0.02 -1.26 -4.66 135.00 135.84 1z3r n PRO 81 Ca 0.20 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1z3r n PRO 81 Cb 0.29 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.27 0.88 3.62 -1.23 0.00 -0.83 -4.97 105.19 105.93 1z3r n GLY 82 Ca 0.22 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 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 5.96 -0.05 1.61 2.15 -1.26 -0.31 116.67 120.77 1z3r s ASP 83 Ca 0.00 0.04 0.01 0.00 0.43 0.00 0.00 52.55 53.03 1z3r s ASP 83 Cb 0.00 -2.08 0.02 0.00 -0.30 0.00 0.00 42.92 40.56 1z3r s ASP 83 CO 0.00 0.03 -0.05 0.20 -0.17 0.00 0.00 175.17 175.18 1z3r s ASN 84 N 1.28 1.17 -0.46 -0.34 0.01 -0.20 -0.87 114.94 115.52 1z3r s ASN 84 Ca 0.07 -0.14 -0.23 0.00 -0.71 0.00 0.00 52.86 51.84 1z3r s ASN 84 Cb -0.14 -0.50 0.03 0.00 0.41 0.00 0.00 41.25 41.05 1z3r s ASN 84 CO 0.06 -0.07 0.79 -0.63 -1.51 0.00 0.00 177.10 175.74 1z3r s ILE 85 N 1.09 4.63 -0.20 0.60 1.09 0.37 -0.21 121.20 128.57 1z3r s ILE 85 Ca -0.08 0.38 -0.16 0.00 -1.10 0.00 0.00 60.65 59.68 1z3r s ILE 85 Cb -0.14 -4.34 -0.04 0.00 -1.06 0.00 0.00 42.46 36.88 1z3r s ILE 85 CO -0.01 -0.76 0.41 -0.63 -0.10 0.00 0.00 174.94 173.85 1z3r s ILE 86 N 3.33 5.19 0.03 2.92 1.01 0.38 -0.59 121.20 133.47 1z3r s ILE 86 Ca 0.29 0.73 0.05 0.00 0.00 0.00 0.00 60.65 61.72 1z3r s ILE 86 Cb -0.12 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1z3r s ILE 86 CO 0.22 0.24 -0.11 -0.31 0.00 0.00 0.00 174.94 174.98 1z3r s TYR 87 N 1.39 2.76 -0.42 3.97 2.02 0.29 -0.46 117.35 126.90 1z3r s TYR 87 Ca 0.19 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1z3r s TYR 87 Cb -0.15 -1.54 0.12 0.00 -0.40 0.00 0.00 41.96 40.00 1z3r s TYR 87 CO 0.08 0.34 0.18 0.08 -1.57 0.00 0.00 175.55 174.67 1z3r s VAL 88 N -1.01 1.80 0.00 0.71 1.01 0.38 -2.67 120.40 120.62 1z3r s VAL 88 Ca 0.17 -2.50 0.00 0.00 0.00 0.00 0.00 61.98 59.65 1z3r s VAL 88 Cb -0.11 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1z3r s VAL 88 CO 0.08 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 175.02 1z3r n GLY 89 N 3.81 2.30 0.00 4.51 0.00 0.50 -2.49 105.19 113.83 1z3r n GLY 89 Ca 0.05 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 5.56 2.28 -1.83 1.61 4.07 -0.07 -4.94 120.64 127.32 1z3r n GLU 90 Ca 0.00 -0.04 -0.41 0.00 -0.06 0.00 0.00 57.16 56.65 1z3r n GLU 90 Cb 0.00 -1.10 -0.00 0.00 -0.06 0.00 0.00 31.44 30.27 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 -2.98 4.33 0.22 4.31 2.96 -1.04 -5.03 118.68 121.46 1z3r s LEU 91 Ca 0.01 3.01 -0.03 0.00 -0.22 0.00 0.00 54.13 56.91 1z3r s LEU 91 Cb 0.08 -3.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1z3r s LEU 91 CO 0.45 -0.84 0.22 -1.59 -1.32 0.00 0.00 176.35 173.26 1z3r s LYS 92 N -2.03 1.33 -0.02 1.98 -2.85 -1.26 -0.47 119.74 116.42 1z3r s LYS 92 Ca 0.53 -1.59 -0.18 0.00 -1.00 0.00 0.00 55.97 53.72 1z3r s LYS 92 Cb -0.46 0.32 0.03 0.00 -2.06 0.00 0.00 37.83 35.66 1z3r s LYS 92 CO 0.62 -0.47 0.39 -1.58 0.10 0.00 0.00 175.35 174.41 1z3r s HIS 93 N -4.05 -0.29 0.19 1.78 2.46 0.39 -4.98 115.29 110.80 1z3r s HIS 93 Ca 0.36 0.47 -0.20 0.00 0.47 0.00 0.00 55.06 56.16 1z3r s HIS 93 Cb 0.05 0.17 -0.08 0.00 -0.13 0.00 0.00 32.58 32.59 1z3r s HIS 93 CO 0.13 -0.43 0.70 -1.14 -2.47 0.00 0.00 174.74 171.52 1z3r s GLN 94 N -1.26 4.27 -0.16 2.88 0.74 -1.26 -0.47 119.66 124.40 1z3r s GLN 94 Ca -0.13 0.86 -0.04 0.00 0.05 0.00 0.00 55.36 56.11 1z3r s GLN 94 Cb -0.04 -2.98 0.05 0.00 1.10 0.00 0.00 33.01 31.15 1z3r s GLN 94 CO 0.05 0.46 0.06 -0.46 -0.55 0.00 0.00 175.29 174.85 1z3r s TRP 95 N -1.42 0.51 -0.78 1.67 -0.11 0.71 -4.91 118.94 114.62 1z3r s TRP 95 Ca 0.40 -0.44 -0.26 0.00 1.22 0.00 0.00 56.10 57.02 1z3r s TRP 95 Cb -0.18 -0.80 0.01 0.00 -1.50 0.00 0.00 33.47 31.01 1z3r s TRP 95 CO 0.21 -0.50 1.54 -0.06 -4.62 0.00 0.00 176.95 173.52 1z3r s PHE 96 N 2.03 2.12 0.12 5.86 0.08 -1.26 -1.04 117.98 125.89 1z3r s PHE 96 Ca 0.02 0.09 -0.30 0.00 0.12 0.00 0.00 56.93 56.85 1z3r s PHE 96 Cb -0.16 -4.44 -0.06 0.00 -0.57 0.00 0.00 43.02 37.79 1z3r s PHE 96 CO -0.08 -2.08 0.97 -1.14 -0.10 0.00 0.00 175.22 172.80 1z3r s GLN 97 N 6.07 4.70 0.21 0.44 2.00 0.58 -4.94 119.66 128.72 1z3r s GLN 97 Ca 0.49 1.48 0.08 0.00 -2.00 0.00 0.00 55.36 55.41 1z3r s GLN 97 Cb -0.08 -3.36 -0.04 0.00 0.80 0.00 0.00 33.01 30.33 1z3r s GLN 97 CO 0.10 0.21 -0.01 -1.59 -0.50 0.00 0.00 175.29 173.50 1z3r s LYS 98 N -0.08 2.34 0.00 1.67 -2.85 -1.26 -1.97 119.74 117.58 1z3r s LYS 98 Ca 0.47 -1.23 0.00 0.00 -1.00 0.00 0.00 55.97 54.20 1z3r s LYS 98 Cb -0.24 -2.27 0.00 0.00 -2.06 0.00 0.00 37.83 33.26 1z3r s LYS 98 CO 0.30 0.42 0.00 0.41 0.10 0.00 0.00 175.35 176.58