#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 2.05 -4.61 4.38 7.64 -1.26 -4.83 113.62 116.99 1z3r n SER 2 Ca 0.00 -0.06 -0.46 0.00 1.01 0.00 0.00 58.87 59.36 1z3r n SER 2 Cb 0.00 -1.38 -0.04 0.00 -1.01 0.00 0.00 64.21 61.77 1z3r n SER 2 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1z3r n LYS 3 N 8.68 2.02 -2.86 1.43 4.76 -1.26 -4.89 118.16 126.04 1z3r n LYS 3 Ca 0.42 0.66 -0.43 0.00 -2.87 0.00 0.00 58.31 56.09 1z3r n LYS 3 Cb 0.36 -2.87 -0.02 0.00 -1.84 0.00 0.00 35.03 30.65 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 6.18 1.86 0.57 0.72 0.00 -1.26 -4.84 107.32 110.55 1z3r s GLY 4 Ca 0.98 -2.74 0.32 0.00 0.00 0.00 0.00 44.72 43.29 1z3r s GLY 4 CO 0.44 2.14 1.99 1.41 0.00 0.00 0.00 173.10 179.07 1z3r h LEU 5 N 10.78 0.00 0.00 0.66 4.07 -1.90 -2.84 115.31 126.08 1z3r h LEU 5 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1z3r h LEU 5 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1z3r h LEU 5 CO 1.18 0.00 -0.88 0.35 -1.08 0.00 0.00 178.44 178.00 1z3r n THR 6 N -2.76 0.00 -2.38 0.22 -2.24 -1.26 -5.05 114.28 100.81 1z3r n THR 6 Ca -0.02 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1z3r n THR 6 Cb 0.19 0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.43 2.84 0.61 4.78 2.02 -1.08 -5.02 117.35 119.07 1z3r s TYR 7 Ca 0.02 1.56 -0.18 0.00 -0.37 0.00 0.00 57.07 58.11 1z3r s TYR 7 Cb 0.10 -3.17 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 1z3r s TYR 7 CO 0.55 -1.20 1.15 0.99 -1.57 0.00 0.00 175.55 175.47 1z3r s THR 8 N -1.91 2.98 0.29 -0.71 2.01 -1.26 -4.36 115.64 112.69 1z3r s THR 8 Ca 0.70 0.55 -0.30 0.00 0.31 0.00 0.00 61.69 62.95 1z3r s THR 8 Cb -0.20 -3.15 -0.11 0.00 0.01 0.00 0.00 72.50 69.05 1z3r s THR 8 CO 0.24 -0.19 1.60 -0.04 -0.69 0.00 0.00 174.62 175.54 1z3r s MET 9 N -3.58 4.12 0.63 4.92 -1.94 -1.26 -0.01 119.30 122.17 1z3r s MET 9 Ca 0.72 2.59 -0.17 0.00 -1.71 0.00 0.00 55.69 57.12 1z3r s MET 9 Cb -0.25 -3.02 -0.02 0.00 2.01 0.00 0.00 34.83 33.55 1z3r s MET 9 CO 0.34 -0.64 1.17 0.00 -0.01 0.00 0.00 175.02 175.88 1z3r n ASP 11 N -1.95 3.45 0.07 0.00 -0.08 -1.26 -4.66 116.55 112.12 1z3r n ASP 11 Ca 0.12 1.01 0.06 0.00 -1.51 0.00 0.00 54.79 54.48 1z3r n ASP 11 Cb 0.51 -1.42 0.31 0.00 2.34 0.00 0.00 41.12 42.85 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 5.46 0.07 -0.00 -0.67 5.02 -1.26 -3.35 118.16 123.43 1z3r n LYS 12 Ca 0.20 0.50 0.01 0.00 -2.02 0.00 0.00 58.31 57.00 1z3r n LYS 12 Cb 0.31 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.63 2.12 1.71 7.82 0.00 -1.26 -0.54 120.51 128.73 1z3r n ALA 13 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.56 1z3r n ALA 13 Cb 0.07 -0.04 0.83 0.00 0.00 0.00 0.00 19.45 20.30 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 -1.23 0.78 -2.01 0.00 4.76 -1.21 -4.93 118.16 114.31 1z3r n LYS 14 Ca 0.00 -0.06 -0.31 0.00 -2.87 0.00 0.00 58.31 55.07 1z3r n LYS 14 Cb 0.02 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.71 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 -2.26 3.57 0.01 2.13 0.08 -1.26 -0.82 117.98 119.42 1z3r s PHE 15 Ca 0.38 1.34 -0.05 0.00 0.12 0.00 0.00 56.93 58.73 1z3r s PHE 15 Cb 0.21 -2.74 -0.01 0.00 -0.57 0.00 0.00 43.02 39.91 1z3r s PHE 15 CO 0.41 -0.61 0.07 0.95 -0.10 0.00 0.00 175.22 175.95 1z3r s THR 16 N -3.02 0.09 -0.26 0.64 -4.23 0.51 -4.94 115.64 104.43 1z3r s THR 16 Ca 0.56 -0.78 -0.29 0.00 -1.18 0.00 0.00 61.69 60.00 1z3r s THR 16 Cb -0.11 -0.38 -0.01 0.00 1.34 0.00 0.00 72.50 73.34 1z3r s THR 16 CO 0.48 -0.43 1.36 0.26 -0.54 0.00 0.00 174.62 175.74 1z3r s TRP 17 N -1.45 2.59 0.00 3.99 0.23 -1.26 -0.93 118.94 122.11 1z3r s TRP 17 Ca -0.15 0.82 -0.02 0.00 -2.03 0.00 0.00 56.10 54.72 1z3r s TRP 17 Cb -0.08 -3.86 -0.27 0.00 0.03 0.00 0.00 33.47 29.29 1z3r s TRP 17 CO 0.01 -1.97 0.85 -0.22 0.96 0.00 0.00 176.95 176.58 1z3r h LYS 18 N 9.39 0.23 -2.49 4.98 3.64 -0.98 -3.45 116.57 127.89 1z3r h LYS 18 Ca -0.28 -0.39 -0.30 0.00 -1.27 0.00 0.00 60.65 58.41 1z3r h LYS 18 Cb 1.11 0.14 -0.35 0.00 -0.41 0.00 0.00 32.23 32.72 1z3r h LYS 18 CO 1.02 1.08 -0.61 0.50 -2.27 0.00 0.00 179.45 179.16 1z3r s ARG 19 N -2.62 0.20 0.68 1.90 3.52 0.29 -4.92 118.95 118.00 1z3r s ARG 19 Ca -0.09 0.24 -0.17 0.00 -0.13 0.00 0.00 55.73 55.58 1z3r s ARG 19 Cb 0.07 -1.13 0.01 0.00 -1.56 0.00 0.00 34.95 32.34 1z3r s ARG 19 CO 0.85 -0.64 1.25 0.00 -0.81 0.00 0.00 175.30 175.94 1z3r s ALA 20 N 2.34 2.29 -0.33 6.12 0.00 -1.26 -0.41 121.76 130.51 1z3r s ALA 20 Ca 0.07 1.05 -0.40 0.00 0.00 0.00 0.00 51.96 52.68 1z3r s ALA 20 Cb -0.16 -3.51 -0.15 0.00 0.00 0.00 0.00 23.12 19.30 1z3r s ALA 20 CO -0.12 -1.66 1.85 -2.30 0.00 0.00 0.00 175.76 173.53 1z3r n PRO 21 N -2.20 0.97 -4.24 0.00 -0.02 -1.26 -4.67 135.00 123.58 1z3r n PRO 21 Ca 0.15 0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1z3r n PRO 21 Cb 0.49 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.38 0.93 0.46 3.45 -1.32 -0.26 -4.98 115.64 118.31 1z3r s THR 22 Ca 1.03 -2.01 -0.25 0.00 -1.21 0.00 0.00 61.69 59.25 1z3r s THR 22 Cb -1.10 -1.93 -0.08 0.00 -1.51 0.00 0.00 72.50 67.88 1z3r s THR 22 CO 0.64 -0.67 1.42 -0.62 -2.21 0.00 0.00 174.62 173.18 1z3r s ASP 23 N -3.16 5.79 0.30 8.08 2.15 -1.26 -0.43 116.67 128.14 1z3r s ASP 23 Ca 0.18 2.90 0.16 0.00 0.43 0.00 0.00 52.55 56.23 1z3r s ASP 23 Cb 0.04 -2.65 0.26 0.00 -0.30 0.00 0.00 42.92 40.28 1z3r s ASP 23 CO 0.01 -1.23 1.53 0.77 -0.17 0.00 0.00 175.17 176.08 1z3r h SER 24 N 2.21 0.00 0.00 -0.34 4.64 -1.37 -3.44 113.55 115.25 1z3r h SER 24 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1z3r h SER 24 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1z3r h SER 24 CO 0.61 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.68 1z3r n GLY 25 N 0.88 0.44 0.89 -0.77 0.00 -1.26 -4.98 105.19 100.39 1z3r n GLY 25 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 0.39 -2.49 1.61 8.25 -1.26 -4.94 115.22 114.78 1z3r n HIS 26 Ca 0.00 -0.26 -0.21 0.00 -0.26 0.00 0.00 57.72 56.99 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 1.09 -5.95 -4.42 0.41 10.43 -1.26 -5.03 116.55 111.82 1z3r n ASP 27 Ca 0.15 -0.06 -0.24 0.00 2.57 0.00 0.00 54.79 57.21 1z3r n ASP 27 Cb 0.50 -4.93 -0.11 0.00 1.84 0.00 0.00 41.12 38.42 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 -3.06 2.24 -0.31 -3.53 -4.23 -1.26 -4.80 115.64 100.69 1z3r s THR 28 Ca 0.04 -2.18 -0.07 0.00 -1.18 0.00 0.00 61.69 58.30 1z3r s THR 28 Cb -0.02 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.70 1z3r s THR 28 CO 0.06 -0.32 0.09 -0.69 -0.54 0.00 0.00 174.62 173.22 1z3r s VAL 29 N -2.21 3.93 -0.08 2.29 1.01 0.12 -0.89 120.40 124.57 1z3r s VAL 29 Ca 0.24 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1z3r s VAL 29 Cb -0.06 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1z3r s VAL 29 CO 0.11 -0.02 0.11 0.68 0.00 0.00 0.00 175.10 175.97 1z3r s VAL 30 N 1.47 5.14 0.21 2.92 -7.23 0.43 -1.05 120.40 122.29 1z3r s VAL 30 Ca 0.01 -0.01 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1z3r s VAL 30 Cb -0.18 -3.26 -0.00 0.00 0.56 0.00 0.00 36.38 33.50 1z3r s VAL 30 CO 0.03 0.55 0.40 0.00 -0.31 0.00 0.00 175.10 175.76 1z3r s MET 31 N -1.20 1.37 -0.08 4.82 0.23 -0.89 -1.10 119.30 122.44 1z3r s MET 31 Ca 0.17 -1.18 -0.18 0.00 -1.03 0.00 0.00 55.69 53.47 1z3r s MET 31 Cb -0.12 0.44 0.04 0.00 -1.53 0.00 0.00 34.83 33.66 1z3r s MET 31 CO 0.07 -0.55 0.43 -2.00 -2.03 0.00 0.00 175.02 170.94 1z3r s GLU 32 N -3.99 0.68 0.10 3.16 2.12 0.45 -1.69 118.70 119.53 1z3r s GLU 32 Ca 0.19 0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.78 1z3r s GLU 32 Cb 0.01 0.32 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 1z3r s GLU 32 CO 0.04 -0.16 -0.08 0.14 -0.54 0.00 0.00 175.26 174.66 1z3r s VAL 33 N -0.65 0.82 -0.05 3.70 -7.23 0.14 -0.38 120.40 116.74 1z3r s VAL 33 Ca -0.08 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1z3r s VAL 33 Cb -0.03 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1z3r s VAL 33 CO 0.04 -0.76 -0.15 0.00 -0.31 0.00 0.00 175.10 173.91 1z3r s ALA 34 N -3.21 1.42 -0.08 1.32 0.00 -0.11 -4.52 121.76 116.58 1z3r s ALA 34 Ca 0.10 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1z3r s ALA 34 Cb 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1z3r s ALA 34 CO -0.03 0.21 -0.10 0.12 0.00 0.00 0.00 175.76 175.97 1z3r s PHE 35 N 0.26 1.41 -1.80 0.00 5.36 -1.26 -0.36 117.98 121.58 1z3r s PHE 35 Ca -0.08 -0.59 0.30 0.00 -0.96 0.00 0.00 56.93 55.59 1z3r s PHE 35 Cb -0.13 -1.10 1.44 0.00 -0.34 0.00 0.00 43.02 42.89 1z3r s PHE 35 CO 0.03 -0.37 1.98 0.43 -1.46 0.00 0.00 175.22 175.83 1z3r n SER 36 N 4.31 0.38 -0.07 6.13 7.64 -0.01 -4.89 113.62 127.12 1z3r n SER 36 Ca -0.19 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1z3r n SER 36 Cb 0.51 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 1.19 2.62 3.42 0.23 0.00 -1.26 -5.06 105.19 106.33 1z3r n GLY 37 Ca 0.18 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.03 1.68 -3.72 2.61 -2.24 -1.26 -5.06 114.28 106.26 1z3r n THR 38 Ca 0.00 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 61.07 1z3r n THR 38 Cb 0.00 -0.59 -0.17 0.00 -2.10 0.00 0.00 70.33 67.47 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 -2.23 0.46 0.66 -0.78 -0.14 -1.26 -4.17 119.74 112.28 1z3r s LYS 39 Ca 0.65 -0.12 -0.09 0.00 -1.36 0.00 0.00 55.97 55.04 1z3r s LYS 39 Cb -0.40 -1.57 0.02 0.00 -1.68 0.00 0.00 37.83 34.20 1z3r s LYS 39 CO 0.59 -0.52 1.02 -1.25 -0.76 0.00 0.00 175.35 174.43 1z3r s PRO 40 N 1.98 2.83 0.23 -1.68 0.04 -1.26 -4.67 135.00 132.46 1z3r s PRO 40 Ca 0.02 0.24 -0.18 0.00 0.04 0.00 0.00 61.00 61.13 1z3r s PRO 40 Cb -0.15 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1z3r s PRO 40 CO -0.07 -0.93 0.57 0.00 0.04 0.00 0.00 177.00 176.61 1z3r s ARG 42 N -3.91 4.15 -0.23 0.00 3.52 0.98 -0.67 118.95 122.80 1z3r s ARG 42 Ca 0.12 -0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.28 1z3r s ARG 42 Cb -0.02 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1z3r s ARG 42 CO 0.02 0.15 1.37 0.42 -0.81 0.00 0.00 175.30 176.44 1z3r s ILE 43 N 0.78 4.07 -1.11 4.11 1.01 -0.13 -0.32 121.20 129.63 1z3r s ILE 43 Ca 0.10 1.25 -0.21 0.00 0.00 0.00 0.00 60.65 61.79 1z3r s ILE 43 Cb -0.13 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 1z3r s ILE 43 CO 0.03 -0.31 1.92 -0.81 0.00 0.00 0.00 174.94 175.77 1z3r n PRO 44 N 7.14 1.87 -4.32 2.79 -0.04 -1.26 -4.83 135.00 136.34 1z3r n PRO 44 Ca 0.15 -2.43 -0.33 0.00 -0.04 0.00 0.00 63.50 60.85 1z3r n PRO 44 Cb 0.46 -3.46 -0.09 0.00 -0.04 0.00 0.00 33.50 30.36 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 8.08 4.15 0.07 0.52 1.01 -1.26 -0.45 120.40 132.52 1z3r s VAL 45 Ca 0.62 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1z3r s VAL 45 Cb 0.05 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.67 1z3r s VAL 45 CO 0.11 0.42 0.61 0.00 0.00 0.00 0.00 175.10 176.24 1z3r s ARG 46 N -1.41 1.16 -0.13 2.72 1.70 -1.08 -5.03 118.95 116.89 1z3r s ARG 46 Ca 0.18 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.24 1z3r s ARG 46 Cb -0.11 0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1z3r s ARG 46 CO 0.08 -0.45 -0.15 0.00 -1.08 0.00 0.00 175.30 173.70 1z3r s ALA 47 N -2.73 2.50 -0.20 7.88 0.00 -1.26 -0.67 121.76 127.29 1z3r s ALA 47 Ca -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1z3r s ALA 47 Cb -0.01 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 22.00 1z3r s ALA 47 CO -0.04 0.15 -0.12 0.14 0.00 0.00 0.00 175.76 175.89 1z3r s VAL 48 N 0.52 1.79 0.63 0.00 -7.23 0.60 -0.05 120.40 116.66 1z3r s VAL 48 Ca -0.10 -1.06 -0.18 0.00 -1.81 0.00 0.00 61.98 58.83 1z3r s VAL 48 Cb -0.16 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1z3r s VAL 48 CO 0.04 0.23 1.22 0.00 -0.31 0.00 0.00 175.10 176.28 1z3r s ALA 49 N 1.34 2.43 -0.78 1.32 0.00 -1.26 -0.56 121.76 124.25 1z3r s ALA 49 Ca -0.01 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.72 1z3r s ALA 49 Cb -0.16 -3.47 -0.16 0.00 0.00 0.00 0.00 23.12 19.33 1z3r s ALA 49 CO -0.09 -1.38 2.39 1.58 0.00 0.00 0.00 175.76 178.26 1z3r n HIS 50 N -1.89 1.03 0.00 0.00 -0.00 -0.68 -2.07 115.22 111.61 1z3r n HIS 50 Ca 0.14 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.34 1z3r n HIS 50 Cb 0.50 -2.33 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 6.50 0.83 2.47 1.57 0.00 -1.26 -5.08 105.19 110.21 1z3r n GLY 51 Ca 0.49 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 1.26 -1.95 4.61 0.00 -0.88 -5.03 121.76 119.77 1z3r s ALA 52 Ca 0.00 -2.18 0.23 0.00 0.00 0.00 0.00 51.96 50.01 1z3r s ALA 52 Cb 0.00 -1.64 1.37 0.00 0.00 0.00 0.00 23.12 22.85 1z3r s ALA 52 CO 0.00 -2.06 1.76 -0.35 0.00 0.00 0.00 175.76 175.11 1z3r n PRO 53 N 3.52 0.69 -0.11 0.00 -0.04 -1.26 -2.90 135.00 134.90 1z3r n PRO 53 Ca 0.18 0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 1z3r n PRO 53 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 1z3r n PRO 53 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1z3r n ASP 54 N -1.02 2.07 -4.58 3.54 3.85 -1.26 -4.90 116.55 114.24 1z3r n ASP 54 Ca 0.17 0.02 -0.41 0.00 -0.71 0.00 0.00 54.79 53.86 1z3r n ASP 54 Cb 0.09 -0.47 -0.03 0.00 -1.35 0.00 0.00 41.12 39.36 1z3r n ASP 54 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1z3r s VAL 55 N -2.44 3.34 0.10 2.12 1.01 -1.14 -4.98 120.40 118.40 1z3r s VAL 55 Ca -0.31 0.29 -0.31 0.00 0.00 0.00 0.00 61.98 61.65 1z3r s VAL 55 Cb 0.09 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 1z3r s VAL 55 CO 0.48 -0.48 1.61 -0.62 0.00 0.00 0.00 175.10 176.10 1z3r s ASP 56 N 7.74 6.61 0.00 3.32 2.15 -1.26 -4.30 116.67 130.93 1z3r s ASP 56 Ca 0.80 2.51 0.13 0.00 0.43 0.00 0.00 52.55 56.41 1z3r s ASP 56 Cb -0.19 -2.57 0.14 0.00 -0.30 0.00 0.00 42.92 39.99 1z3r s ASP 56 CO 0.29 -0.86 0.97 1.33 -0.17 0.00 0.00 175.17 176.73 1z3r n VAL 57 N 4.48 0.16 -2.30 1.11 0.24 0.93 -4.95 118.33 118.02 1z3r n VAL 57 Ca 0.15 -0.58 -0.42 0.00 -2.04 0.00 0.00 64.34 61.45 1z3r n VAL 57 Cb 0.40 1.14 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 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 -1.05 2.88 -0.68 2.33 0.00 -1.25 -4.60 121.76 119.39 1z3r s ALA 58 Ca 0.17 -0.31 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 1z3r s ALA 58 Cb 0.11 -4.03 0.01 0.00 0.00 0.00 0.00 23.12 19.21 1z3r s ALA 58 CO 0.16 -2.71 1.51 1.41 0.00 0.00 0.00 175.76 176.13 1z3r s MET 59 N 5.37 2.98 0.13 0.00 1.75 -0.11 -4.88 119.30 124.55 1z3r s MET 59 Ca 0.61 0.14 -0.31 0.00 -1.25 0.00 0.00 55.69 54.87 1z3r s MET 59 Cb -0.14 -4.26 -0.10 0.00 2.84 0.00 0.00 34.83 33.17 1z3r s MET 59 CO 0.29 -2.36 1.77 -0.51 -0.65 0.00 0.00 175.02 173.57 1z3r s LEU 60 N 7.04 4.39 -0.19 4.11 1.02 -1.26 -0.08 118.68 133.70 1z3r s LEU 60 Ca 0.49 2.74 0.04 0.00 0.02 0.00 0.00 54.13 57.42 1z3r s LEU 60 Cb -0.10 -3.57 -0.21 0.00 0.02 0.00 0.00 46.19 42.32 1z3r s LEU 60 CO 0.18 -0.97 0.06 -0.38 0.02 0.00 0.00 176.35 175.26 1z3r n ILE 61 N 4.55 1.55 -2.49 -0.59 2.08 0.59 -4.89 119.36 120.16 1z3r n ILE 61 Ca 0.17 -0.67 -0.27 0.00 0.56 0.00 0.00 62.75 62.54 1z3r n ILE 61 Cb 0.38 -1.26 0.01 0.00 -0.75 0.00 0.00 39.64 38.03 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 -2.53 4.31 1.16 1.39 -1.32 -0.39 -4.99 115.64 113.27 1z3r s THR 62 Ca -0.24 0.13 -0.13 0.00 -1.21 0.00 0.00 61.69 60.24 1z3r s THR 62 Cb 0.08 -3.67 0.28 0.00 -1.51 0.00 0.00 72.50 67.68 1z3r s THR 62 CO 0.71 -0.68 1.03 -2.84 -2.21 0.00 0.00 174.62 170.63 1z3r s PRO 63 N -4.87 -0.90 -0.52 7.08 0.02 -1.26 -4.78 135.00 129.76 1z3r s PRO 63 Ca 0.51 0.79 -0.23 0.00 0.02 0.00 0.00 61.00 62.09 1z3r s PRO 63 Cb -0.10 -1.56 -0.13 0.00 0.02 0.00 0.00 34.50 32.72 1z3r s PRO 63 CO 0.45 -3.70 1.60 -1.71 -0.33 0.00 0.00 177.00 173.31 1z3r n ASN 64 N -4.90 0.30 -4.74 2.53 5.15 -1.26 -4.85 115.26 107.49 1z3r n ASN 64 Ca 0.03 0.24 -0.41 0.00 -0.60 0.00 0.00 54.58 53.84 1z3r n ASN 64 Cb 0.55 -0.59 -0.04 0.00 -0.53 0.00 0.00 39.78 39.16 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 5.06 4.66 0.10 1.20 0.04 -1.26 -4.17 135.00 140.64 1z3r s PRO 65 Ca 0.84 1.66 0.03 0.00 0.04 0.00 0.00 61.00 63.56 1z3r s PRO 65 Cb -0.87 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1z3r s PRO 65 CO 0.36 0.20 -0.08 0.95 0.04 0.00 0.00 177.00 178.47 1z3r s THR 66 N -0.55 0.82 -0.16 1.26 -4.23 -1.26 -0.95 115.64 110.56 1z3r s THR 66 Ca 0.47 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1z3r s THR 66 Cb -0.28 -1.58 0.02 0.00 1.34 0.00 0.00 72.50 72.00 1z3r s THR 66 CO 0.35 -0.76 -0.17 -0.32 -0.54 0.00 0.00 174.62 173.18 1z3r s MET 67 N -3.46 2.64 0.19 3.99 1.75 0.16 -0.48 119.30 124.09 1z3r s MET 67 Ca 0.10 -0.69 0.06 0.00 -1.25 0.00 0.00 55.69 53.91 1z3r s MET 67 Cb 0.02 -2.31 -0.05 0.00 2.84 0.00 0.00 34.83 35.33 1z3r s MET 67 CO -0.02 -0.20 -0.11 -1.21 -0.65 0.00 0.00 175.02 172.83 1z3r s GLU 68 N 1.33 1.25 0.00 4.11 2.02 -1.08 -1.04 118.70 125.29 1z3r s GLU 68 Ca 0.04 -1.56 0.30 0.00 0.02 0.00 0.00 54.97 53.76 1z3r s GLU 68 Cb -0.13 -0.88 1.53 0.00 0.10 0.00 0.00 34.13 34.74 1z3r s GLU 68 CO -0.11 0.10 2.04 0.27 0.02 0.00 0.00 175.26 177.58 1z3r n ASN 69 N -0.33 0.18 -0.65 -0.19 0.23 -1.26 -3.89 115.26 109.34 1z3r n ASN 69 Ca -0.08 -0.54 0.05 0.00 -0.53 0.00 0.00 54.58 53.47 1z3r n ASN 69 Cb 0.61 -0.14 0.09 0.00 -2.08 0.00 0.00 39.78 38.26 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 -1.06 1.26 0.00 0.53 0.23 -1.26 -5.06 115.26 109.89 1z3r n ASN 70 Ca 0.17 -2.74 0.00 0.00 -0.53 0.00 0.00 54.58 51.48 1z3r n ASN 70 Cb 0.22 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 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 -0.52 0.59 1.16 4.83 0.00 -1.25 -0.10 105.19 109.90 1z3r n GLY 71 Ca 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.86 0.77 -0.02 0.00 -1.26 -2.62 105.19 99.19 1z3r n GLY 72 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.33 0.73 3.75 -0.02 0.00 0.37 -4.83 105.19 104.85 1z3r n GLY 73 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.33 3.18 -0.06 1.61 5.36 -1.26 -0.69 117.98 123.79 1z3r s PHE 74 Ca 0.00 0.12 -0.10 0.00 -0.96 0.00 0.00 56.93 55.99 1z3r s PHE 74 Cb 0.00 -1.67 0.02 0.00 -0.34 0.00 0.00 43.02 41.03 1z3r s PHE 74 CO 0.00 0.52 0.25 0.42 -1.46 0.00 0.00 175.22 174.94 1z3r s ILE 75 N -1.24 0.03 -0.03 3.12 1.01 -0.68 -4.72 121.20 118.68 1z3r s ILE 75 Ca 0.24 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.65 1z3r s ILE 75 Cb -0.12 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 41.93 1z3r s ILE 75 CO 0.16 -0.14 -0.06 -0.70 0.00 0.00 0.00 174.94 174.20 1z3r s GLU 76 N -0.52 0.82 0.18 2.79 2.12 -1.26 -2.09 118.70 120.73 1z3r s GLU 76 Ca -0.06 -0.18 -0.04 0.00 0.36 0.00 0.00 54.97 55.04 1z3r s GLU 76 Cb -0.04 -0.80 -0.03 0.00 0.26 0.00 0.00 34.13 33.52 1z3r s GLU 76 CO 0.02 0.01 0.19 0.00 -0.54 0.00 0.00 175.26 174.93 1z3r s MET 77 N 0.54 1.16 0.05 4.30 0.23 -0.21 -0.30 119.30 125.07 1z3r s MET 77 Ca -0.08 -1.43 0.05 0.00 -1.03 0.00 0.00 55.69 53.20 1z3r s MET 77 Cb -0.11 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.48 1z3r s MET 77 CO 0.00 -0.39 -0.13 -1.14 -2.03 0.00 0.00 175.02 171.33 1z3r s GLN 78 N -4.07 0.82 0.07 3.16 0.74 0.89 0.16 119.66 121.43 1z3r s GLN 78 Ca 0.28 -0.83 -0.03 0.00 0.05 0.00 0.00 55.36 54.83 1z3r s GLN 78 Cb 0.05 -0.80 -0.03 0.00 1.10 0.00 0.00 33.01 33.33 1z3r s GLN 78 CO 0.06 0.19 0.04 -0.51 -0.55 0.00 0.00 175.29 174.52 1z3r s LEU 79 N -1.42 2.10 0.09 3.68 1.02 -1.26 -0.93 118.68 121.95 1z3r s LEU 79 Ca -0.01 -0.94 -0.31 0.00 0.02 0.00 0.00 54.13 52.89 1z3r s LEU 79 Cb -0.09 0.45 -0.07 0.00 0.02 0.00 0.00 46.19 46.50 1z3r s LEU 79 CO 0.02 -0.66 1.28 -2.16 0.02 0.00 0.00 176.35 174.85 1z3r s PRO 80 N -3.92 4.39 -0.27 1.29 0.04 -1.26 -4.90 135.00 130.37 1z3r s PRO 80 Ca 0.09 1.91 -0.41 0.00 0.04 0.00 0.00 61.00 62.62 1z3r s PRO 80 Cb 0.07 -3.30 -0.17 0.00 0.04 0.00 0.00 34.50 31.14 1z3r s PRO 80 CO -0.08 -0.32 1.61 -2.30 0.04 0.00 0.00 177.00 175.95 1z3r n PRO 81 N 3.81 0.79 -0.09 0.56 -0.02 -1.26 -4.71 135.00 134.08 1z3r n PRO 81 Ca 0.10 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1z3r n PRO 81 Cb 0.44 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 3.75 0.94 3.63 -1.23 0.00 -1.08 -4.94 105.19 106.25 1z3r n GLY 82 Ca 0.26 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.17 6.44 -0.14 1.61 2.15 -1.26 -0.89 116.67 124.42 1z3r s ASP 83 Ca 0.00 1.49 0.00 0.00 0.43 0.00 0.00 52.55 54.47 1z3r s ASP 83 Cb 0.00 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 1z3r s ASP 83 CO 0.00 -1.23 -0.11 0.20 -0.17 0.00 0.00 175.17 173.86 1z3r s ASN 84 N 3.90 2.55 -0.47 -0.34 0.01 0.35 -1.69 114.94 119.24 1z3r s ASN 84 Ca 0.68 -0.45 -0.28 0.00 -0.71 0.00 0.00 52.86 52.10 1z3r s ASN 84 Cb -0.23 -1.05 0.03 0.00 0.41 0.00 0.00 41.25 40.41 1z3r s ASN 84 CO 0.28 -0.09 1.07 -0.63 -1.51 0.00 0.00 177.10 176.22 1z3r s ILE 85 N 1.57 4.29 -0.31 0.60 1.01 0.28 -0.80 121.20 127.83 1z3r s ILE 85 Ca 0.05 1.07 -0.15 0.00 0.00 0.00 0.00 60.65 61.61 1z3r s ILE 85 Cb -0.13 -4.55 -0.02 0.00 0.01 0.00 0.00 42.46 37.76 1z3r s ILE 85 CO -0.10 -0.96 0.37 -0.63 0.00 0.00 0.00 174.94 173.63 1z3r s ILE 86 N 4.23 5.16 0.00 2.92 1.01 0.17 -0.29 121.20 134.41 1z3r s ILE 86 Ca 0.44 0.32 -0.01 0.00 0.00 0.00 0.00 60.65 61.41 1z3r s ILE 86 Cb -0.08 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1z3r s ILE 86 CO 0.30 0.03 0.11 -0.31 0.00 0.00 0.00 174.94 175.07 1z3r s TYR 87 N 2.07 3.36 -0.45 3.97 2.02 0.15 -0.45 117.35 128.01 1z3r s TYR 87 Ca 0.14 0.24 0.04 0.00 -0.37 0.00 0.00 57.07 57.11 1z3r s TYR 87 Cb -0.16 -1.76 0.12 0.00 -0.40 0.00 0.00 41.96 39.76 1z3r s TYR 87 CO 0.11 0.58 0.19 0.08 -1.57 0.00 0.00 175.55 174.93 1z3r s VAL 88 N -1.25 2.40 0.00 0.71 1.01 0.35 -2.62 120.40 121.00 1z3r s VAL 88 Ca 0.25 -2.93 0.00 0.00 0.00 0.00 0.00 61.98 59.30 1z3r s VAL 88 Cb -0.12 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1z3r s VAL 88 CO 0.16 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.14 1z3r n GLY 89 N 3.54 1.73 0.00 4.51 0.00 0.40 -2.81 105.19 112.57 1z3r n GLY 89 Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 4.76 -1.87 1.61 4.07 0.30 -4.97 120.64 124.54 1z3r n GLU 90 Ca 0.00 -0.01 -0.41 0.00 -0.06 0.00 0.00 57.16 56.68 1z3r n GLU 90 Cb 0.00 -0.72 -0.01 0.00 -0.06 0.00 0.00 31.44 30.64 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 -2.36 4.36 0.30 4.31 2.96 -1.12 -5.03 118.68 122.09 1z3r s LEU 91 Ca 0.01 2.88 0.03 0.00 -0.22 0.00 0.00 54.13 56.82 1z3r s LEU 91 Cb 0.02 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1z3r s LEU 91 CO 0.11 -0.82 0.13 -1.59 -1.32 0.00 0.00 176.35 172.86 1z3r s LYS 92 N -0.90 1.56 -0.01 1.98 -2.85 -1.26 -0.49 119.74 117.77 1z3r s LYS 92 Ca 0.59 -1.88 -0.10 0.00 -1.00 0.00 0.00 55.97 53.57 1z3r s LYS 92 Cb -0.45 -0.21 0.01 0.00 -2.06 0.00 0.00 37.83 35.11 1z3r s LYS 92 CO 0.50 -0.39 0.21 -1.58 0.10 0.00 0.00 175.35 174.19 1z3r s HIS 93 N -3.61 -0.07 -0.48 1.78 2.46 0.41 -4.96 115.29 110.81 1z3r s HIS 93 Ca 0.35 0.08 -0.19 0.00 0.47 0.00 0.00 55.06 55.78 1z3r s HIS 93 Cb 0.06 0.02 0.05 0.00 -0.13 0.00 0.00 32.58 32.58 1z3r s HIS 93 CO 0.16 -0.31 0.58 -1.14 -2.47 0.00 0.00 174.74 171.55 1z3r s GLN 94 N -1.23 3.12 -0.15 2.88 2.00 -1.26 -0.65 119.66 124.36 1z3r s GLN 94 Ca -0.13 -0.87 -0.04 0.00 -2.00 0.00 0.00 55.36 52.32 1z3r s GLN 94 Cb -0.06 -4.07 -0.03 0.00 0.80 0.00 0.00 33.01 29.65 1z3r s GLN 94 CO 0.02 -1.13 -0.01 -0.46 -0.50 0.00 0.00 175.29 173.21 1z3r s TRP 95 N 2.47 3.09 -0.75 1.67 -0.11 0.02 -4.99 118.94 120.34 1z3r s TRP 95 Ca 0.14 -0.15 -0.07 0.00 1.22 0.00 0.00 56.10 57.24 1z3r s TRP 95 Cb -0.19 -1.95 0.20 0.00 -1.50 0.00 0.00 33.47 30.02 1z3r s TRP 95 CO 0.12 0.08 0.63 -0.06 -4.62 0.00 0.00 176.95 173.10 1z3r s PHE 96 N 0.16 3.62 0.12 5.86 0.08 -1.26 -0.50 117.98 126.07 1z3r s PHE 96 Ca -0.00 -2.48 -0.31 0.00 0.12 0.00 0.00 56.93 54.26 1z3r s PHE 96 Cb -0.13 -3.46 -0.08 0.00 -0.57 0.00 0.00 43.02 38.78 1z3r s PHE 96 CO 0.02 -0.89 1.33 -1.14 -0.10 0.00 0.00 175.22 174.44 1z3r s GLN 97 N -0.18 4.36 -0.15 0.44 2.00 -0.07 -4.87 119.66 121.19 1z3r s GLN 97 Ca 0.19 1.99 -0.04 0.00 -2.00 0.00 0.00 55.36 55.51 1z3r s GLN 97 Cb -0.15 -3.26 -0.03 0.00 0.80 0.00 0.00 33.01 30.38 1z3r s GLN 97 CO -0.07 -0.35 -0.04 0.21 -0.50 0.00 0.00 175.29 174.55 1z3r s LYS 98 N 0.84 3.64 0.00 1.67 2.47 -1.26 -2.63 119.74 124.46 1z3r s LYS 98 Ca 0.61 -0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.51 1z3r s LYS 98 Cb -0.35 -2.90 0.00 0.00 -1.46 0.00 0.00 37.83 33.12 1z3r s LYS 98 CO 0.32 0.27 0.00 0.41 0.16 0.00 0.00 175.35 176.50