#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z3r s SER 2 N 0.00 5.03 0.00 7.28 1.04 -1.26 -4.87 113.70 120.92 1z3r s SER 2 Ca 0.00 -0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 1z3r s SER 2 Cb 0.00 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.43 1z3r s SER 2 CO 0.00 -2.74 2.26 0.29 0.98 0.00 0.00 173.24 174.02 1z3r n LYS 3 N 8.96 1.14 -1.52 4.02 4.76 -1.26 -4.75 118.16 129.51 1z3r n LYS 3 Ca 0.35 -0.53 -0.41 0.00 -2.87 0.00 0.00 58.31 54.84 1z3r n LYS 3 Cb 0.49 -1.73 -0.06 0.00 -1.84 0.00 0.00 35.03 31.89 1z3r n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1z3r n GLY 4 N 2.56 0.21 0.11 0.72 0.00 -1.26 -4.56 105.19 102.98 1z3r n GLY 4 Ca 0.23 0.83 0.07 0.00 0.00 0.00 0.00 46.02 47.15 1z3r n GLY 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1z3r n LEU 5 N 13.04 0.36 -0.01 0.99 4.32 -1.26 -2.01 117.00 132.44 1z3r n LEU 5 Ca 0.43 0.65 0.09 0.00 -0.02 0.00 0.00 56.01 57.16 1z3r n LEU 5 Cb 0.36 -0.68 -0.11 0.00 -1.62 0.00 0.00 43.42 41.37 1z3r n LEU 5 CO 0.76 -0.77 -0.04 0.35 -1.22 0.00 0.00 177.39 176.47 1z3r n THR 6 N -1.99 0.00 -2.45 -5.08 -2.24 -1.26 -5.01 114.28 96.25 1z3r n THR 6 Ca -0.01 -0.04 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 1z3r n THR 6 Cb 0.07 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.84 3.21 0.78 4.78 2.02 -0.85 -5.04 117.35 119.41 1z3r s TYR 7 Ca 0.07 1.62 -0.11 0.00 -0.37 0.00 0.00 57.07 58.28 1z3r s TYR 7 Cb 0.15 -3.23 0.06 0.00 -0.40 0.00 0.00 41.96 38.53 1z3r s TYR 7 CO 0.80 -0.88 1.08 0.95 -1.57 0.00 0.00 175.55 175.93 1z3r s THR 8 N -1.53 3.37 0.27 -0.71 -4.23 -1.26 -4.38 115.64 107.18 1z3r s THR 8 Ca 0.57 0.45 -0.29 0.00 -1.18 0.00 0.00 61.69 61.23 1z3r s THR 8 Cb -0.26 -3.07 -0.10 0.00 1.34 0.00 0.00 72.50 70.41 1z3r s THR 8 CO 0.32 -0.58 1.31 -0.04 -0.54 0.00 0.00 174.62 175.10 1z3r s MET 9 N -5.01 4.37 0.83 3.99 -1.94 -1.26 -0.30 119.30 119.98 1z3r s MET 9 Ca 0.60 2.15 -0.12 0.00 -1.71 0.00 0.00 55.69 56.62 1z3r s MET 9 Cb -0.16 -3.12 0.09 0.00 2.01 0.00 0.00 34.83 33.65 1z3r s MET 9 CO 0.55 -0.22 1.15 0.00 -0.01 0.00 0.00 175.02 176.50 1z3r n ASP 11 N -3.63 3.52 0.00 0.00 -0.08 -1.26 -4.69 116.55 110.41 1z3r n ASP 11 Ca 0.12 1.08 0.07 0.00 -1.51 0.00 0.00 54.79 54.54 1z3r n ASP 11 Cb 0.52 -1.50 0.31 0.00 2.34 0.00 0.00 41.12 42.79 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 3.61 0.05 0.00 -0.67 5.02 -1.26 -3.82 118.16 121.09 1z3r n LYS 12 Ca 0.16 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1z3r n LYS 12 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.44 1.56 0.95 7.82 0.00 -1.26 -0.35 120.51 127.78 1z3r n ALA 13 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.55 1z3r n ALA 13 Cb 0.15 0.06 0.43 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.28 0.47 -2.10 0.00 4.76 -1.25 -4.88 118.16 113.89 1z3r n LYS 14 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1z3r n LYS 14 Cb 0.13 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 31.86 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 -2.00 3.48 -0.03 2.13 0.08 -1.26 -0.85 117.98 119.53 1z3r s PHE 15 Ca 0.22 1.04 -0.02 0.00 0.12 0.00 0.00 56.93 58.28 1z3r s PHE 15 Cb 0.10 -2.73 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 1z3r s PHE 15 CO 0.17 -0.75 0.08 0.95 -0.10 0.00 0.00 175.22 175.56 1z3r s THR 16 N -3.11 -0.01 -0.40 0.64 -4.23 0.34 -4.94 115.64 103.92 1z3r s THR 16 Ca 0.54 0.02 -0.28 0.00 -1.18 0.00 0.00 61.69 60.79 1z3r s THR 16 Cb -0.11 -0.12 -0.01 0.00 1.34 0.00 0.00 72.50 73.60 1z3r s THR 16 CO 0.50 0.01 1.68 0.26 -0.54 0.00 0.00 174.62 176.53 1z3r s TRP 17 N 0.17 1.98 0.04 3.99 0.23 -1.26 -1.50 118.94 122.59 1z3r s TRP 17 Ca -0.01 0.65 -0.06 0.00 -2.03 0.00 0.00 56.10 54.64 1z3r s TRP 17 Cb -0.02 -4.19 -0.30 0.00 0.03 0.00 0.00 33.47 28.99 1z3r s TRP 17 CO -0.00 -2.55 1.02 -0.22 0.96 0.00 0.00 176.95 176.16 1z3r h LYS 18 N 12.44 0.32 -2.49 4.98 3.64 -1.33 -3.44 116.57 130.69 1z3r h LYS 18 Ca -0.31 -0.55 -0.41 0.00 -1.27 0.00 0.00 60.65 58.12 1z3r h LYS 18 Cb 1.15 0.20 -0.37 0.00 -0.41 0.00 0.00 32.23 32.81 1z3r h LYS 18 CO 1.08 1.24 -0.69 0.50 -2.27 0.00 0.00 179.45 179.30 1z3r s ARG 19 N -2.63 0.24 0.72 1.90 3.52 0.30 -4.94 118.95 118.05 1z3r s ARG 19 Ca -0.07 -0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.14 1z3r s ARG 19 Cb 0.06 -0.99 0.03 0.00 -1.56 0.00 0.00 34.95 32.50 1z3r s ARG 19 CO 0.89 -0.95 1.26 0.00 -0.81 0.00 0.00 175.30 175.68 1z3r s ALA 20 N 2.25 2.14 -0.18 6.12 0.00 -1.26 -0.57 121.76 130.25 1z3r s ALA 20 Ca 0.08 1.06 -0.39 0.00 0.00 0.00 0.00 51.96 52.72 1z3r s ALA 20 Cb -0.15 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 19.29 1z3r s ALA 20 CO -0.30 -1.91 1.67 -2.30 0.00 0.00 0.00 175.76 172.92 1z3r n PRO 21 N -2.52 1.26 -4.21 0.00 -0.02 -1.26 -4.74 135.00 123.51 1z3r n PRO 21 Ca 0.15 0.46 -0.14 0.00 -2.02 0.00 0.00 63.50 61.94 1z3r n PRO 21 Cb 0.49 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.72 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 2.94 1.04 0.62 3.45 -1.32 -0.53 -4.97 115.64 116.87 1z3r s THR 22 Ca 0.95 -1.81 -0.19 0.00 -1.21 0.00 0.00 61.69 59.44 1z3r s THR 22 Cb -1.01 -1.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.40 1z3r s THR 22 CO 0.60 -0.62 1.29 -0.62 -2.21 0.00 0.00 174.62 173.06 1z3r s ASP 23 N -2.72 4.79 0.11 8.08 -1.08 -1.26 -0.51 116.67 124.08 1z3r s ASP 23 Ca 0.10 2.61 0.23 0.00 -0.52 0.00 0.00 52.55 54.96 1z3r s ASP 23 Cb -0.01 -2.62 0.06 0.00 -1.46 0.00 0.00 42.92 38.90 1z3r s ASP 23 CO 0.00 -1.88 1.05 -1.54 0.52 0.00 0.00 175.17 173.32 1z3r n SER 24 N -1.73 0.66 0.00 -0.34 3.41 0.15 -4.71 113.62 111.06 1z3r n SER 24 Ca 0.15 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1z3r n SER 24 Cb 0.48 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 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 1.29 1.68 0.77 5.00 0.00 -1.26 -4.91 105.19 107.76 1z3r n GLY 25 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 0.38 -1.94 1.61 8.25 -1.26 -4.91 115.22 115.35 1z3r n HIS 26 Ca 0.00 -0.19 -0.21 0.00 -0.26 0.00 0.00 57.72 57.06 1z3r n HIS 26 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 0.74 -5.69 -4.78 0.41 8.00 -1.26 -5.02 116.55 108.94 1z3r n ASP 27 Ca 0.17 0.30 -0.23 0.00 0.71 0.00 0.00 54.79 55.73 1z3r n ASP 27 Cb 0.41 -4.90 -0.06 0.00 -0.02 0.00 0.00 41.12 36.55 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 -2.89 2.41 -0.18 -3.53 -4.23 -1.26 -4.80 115.64 101.16 1z3r s THR 28 Ca 0.00 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1z3r s THR 28 Cb 0.00 -3.00 -0.00 0.00 1.34 0.00 0.00 72.50 70.84 1z3r s THR 28 CO 0.00 0.00 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.27 1z3r s VAL 29 N -2.56 2.83 0.04 2.29 1.01 0.13 -0.68 120.40 123.45 1z3r s VAL 29 Ca 0.43 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1z3r s VAL 29 Cb 0.02 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1z3r s VAL 29 CO 0.24 0.49 0.03 0.68 0.00 0.00 0.00 175.10 176.54 1z3r s VAL 30 N 1.11 4.28 0.18 2.92 -7.23 0.33 -0.93 120.40 121.06 1z3r s VAL 30 Ca 0.01 -0.71 -0.15 0.00 -1.81 0.00 0.00 61.98 59.32 1z3r s VAL 30 Cb -0.14 -2.99 0.02 0.00 0.56 0.00 0.00 36.38 33.83 1z3r s VAL 30 CO -0.04 0.25 0.43 0.00 -0.31 0.00 0.00 175.10 175.44 1z3r s MET 31 N -1.96 1.27 -0.05 4.82 0.23 -0.73 -1.45 119.30 121.42 1z3r s MET 31 Ca 0.24 -0.94 -0.17 0.00 -1.03 0.00 0.00 55.69 53.79 1z3r s MET 31 Cb -0.12 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.69 1z3r s MET 31 CO 0.15 -0.51 0.39 -2.00 -2.03 0.00 0.00 175.02 171.02 1z3r s GLU 32 N -3.89 0.68 0.22 3.16 2.12 0.26 -1.54 118.70 119.71 1z3r s GLU 32 Ca 0.11 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.51 1z3r s GLU 32 Cb 0.01 0.31 -0.05 0.00 0.26 0.00 0.00 34.13 34.66 1z3r s GLU 32 CO -0.03 -0.17 0.08 0.14 -0.54 0.00 0.00 175.26 174.74 1z3r s VAL 33 N -0.92 0.41 0.05 3.70 -7.23 0.07 -0.54 120.40 115.94 1z3r s VAL 33 Ca -0.10 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.12 1z3r s VAL 33 Cb -0.04 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 1z3r s VAL 33 CO 0.04 -0.14 -0.11 0.00 -0.31 0.00 0.00 175.10 174.58 1z3r s ALA 34 N -3.86 0.90 -0.06 1.32 0.00 -0.56 -4.68 121.76 114.82 1z3r s ALA 34 Ca 0.34 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1z3r s ALA 34 Cb 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1z3r s ALA 34 CO 0.10 0.10 0.00 0.12 0.00 0.00 0.00 175.76 176.08 1z3r s PHE 35 N -1.20 0.59 -1.39 0.00 5.36 -1.26 -0.51 117.98 119.57 1z3r s PHE 35 Ca -0.05 -0.12 0.27 0.00 -0.96 0.00 0.00 56.93 56.07 1z3r s PHE 35 Cb -0.09 -0.73 1.32 0.00 -0.34 0.00 0.00 43.02 43.18 1z3r s PHE 35 CO 0.01 -0.29 1.90 0.43 -1.46 0.00 0.00 175.22 175.82 1z3r n SER 36 N 4.97 0.00 -1.03 6.13 7.64 -0.03 -4.84 113.62 126.45 1z3r n SER 36 Ca -0.10 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1z3r n SER 36 Cb 0.50 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.99 1.19 3.30 0.23 0.00 -1.26 -5.08 105.19 104.56 1z3r n GLY 37 Ca 0.12 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.81 2.61 -2.24 -1.26 -5.10 114.28 104.47 1z3r n THR 38 Ca 0.00 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1z3r n THR 38 Cb 0.00 -0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 67.40 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 -3.71 0.14 0.85 -0.78 -0.14 -1.26 -4.63 119.74 110.20 1z3r s LYS 39 Ca 0.58 0.21 -0.12 0.00 -1.36 0.00 0.00 55.97 55.29 1z3r s LYS 39 Cb -0.15 0.02 0.10 0.00 -1.68 0.00 0.00 37.83 36.13 1z3r s LYS 39 CO 0.64 -0.05 1.15 -1.25 -0.76 0.00 0.00 175.35 175.08 1z3r s PRO 40 N 0.29 1.64 0.15 -1.68 0.04 -1.26 -4.90 135.00 129.28 1z3r s PRO 40 Ca -0.02 0.27 -0.21 0.00 0.04 0.00 0.00 61.00 61.08 1z3r s PRO 40 Cb -0.03 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.67 1z3r s PRO 40 CO -0.01 -1.85 0.54 0.00 0.04 0.00 0.00 177.00 175.72 1z3r s ARG 42 N -3.77 4.41 -0.14 0.00 3.52 0.59 -0.55 118.95 123.01 1z3r s ARG 42 Ca 0.02 1.29 -0.29 0.00 -0.13 0.00 0.00 55.73 56.62 1z3r s ARG 42 Cb -0.00 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 1z3r s ARG 42 CO -0.12 -0.27 1.49 0.42 -0.81 0.00 0.00 175.30 176.01 1z3r s ILE 43 N 1.87 3.89 -1.02 4.11 1.01 0.13 -0.48 121.20 130.70 1z3r s ILE 43 Ca 0.46 1.05 -0.21 0.00 0.00 0.00 0.00 60.65 61.95 1z3r s ILE 43 Cb -0.18 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.45 1z3r s ILE 43 CO 0.18 -0.16 1.94 -0.81 0.00 0.00 0.00 174.94 176.09 1z3r n PRO 44 N 7.07 1.81 -4.29 2.79 -0.04 -1.26 -4.83 135.00 136.25 1z3r n PRO 44 Ca 0.16 -2.25 -0.35 0.00 -0.04 0.00 0.00 63.50 61.02 1z3r n PRO 44 Cb 0.44 -3.28 -0.09 0.00 -0.04 0.00 0.00 33.50 30.54 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 6.80 4.50 0.18 0.52 1.01 -1.26 -0.18 120.40 131.97 1z3r s VAL 45 Ca 0.60 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 1z3r s VAL 45 Cb 0.08 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.60 1z3r s VAL 45 CO 0.10 0.59 0.57 0.00 0.00 0.00 0.00 175.10 176.36 1z3r s ARG 46 N -0.98 1.34 -0.13 2.72 1.70 -1.15 -5.03 118.95 117.43 1z3r s ARG 46 Ca 0.14 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 1z3r s ARG 46 Cb -0.11 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 34.85 1z3r s ARG 46 CO 0.03 -0.58 -0.11 0.00 -1.08 0.00 0.00 175.30 173.56 1z3r s ALA 47 N -3.81 1.57 -0.25 7.88 0.00 -1.26 -0.65 121.76 125.24 1z3r s ALA 47 Ca 0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1z3r s ALA 47 Cb -0.01 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.19 1z3r s ALA 47 CO -0.08 -0.36 -0.08 0.14 0.00 0.00 0.00 175.76 175.39 1z3r s VAL 48 N 1.53 2.70 0.72 0.00 -7.23 0.32 -0.21 120.40 118.22 1z3r s VAL 48 Ca 0.03 -1.14 -0.13 0.00 -1.81 0.00 0.00 61.98 58.94 1z3r s VAL 48 Cb -0.13 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1z3r s VAL 48 CO -0.08 0.17 1.11 0.00 -0.31 0.00 0.00 175.10 175.99 1z3r s ALA 49 N 1.28 2.32 -0.80 1.32 0.00 -1.25 -0.52 121.76 124.11 1z3r s ALA 49 Ca -0.01 0.47 -0.35 0.00 0.00 0.00 0.00 51.96 52.07 1z3r s ALA 49 Cb -0.17 -3.32 -0.20 0.00 0.00 0.00 0.00 23.12 19.43 1z3r s ALA 49 CO -0.05 -1.57 2.50 1.58 0.00 0.00 0.00 175.76 178.22 1z3r n HIS 50 N -2.93 0.83 -0.12 0.00 -0.00 -0.30 -1.03 115.22 111.66 1z3r n HIS 50 Ca 0.10 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.75 1z3r n HIS 50 Cb 0.52 -2.38 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 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 0.60 2.45 1.57 0.00 -1.26 -5.01 105.19 110.29 1z3r n GLY 51 Ca 0.60 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.48 3.49 0.37 4.61 0.00 -0.20 -4.98 120.51 122.33 1z3r n ALA 52 Ca 0.00 -4.29 0.09 0.00 0.00 0.00 0.00 53.44 49.24 1z3r n ALA 52 Cb 0.00 -0.89 0.40 0.00 0.00 0.00 0.00 19.45 18.96 1z3r n ALA 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1z3r n PRO 53 N 1.32 0.11 0.10 0.00 -0.04 -1.26 -1.69 135.00 133.55 1z3r n PRO 53 Ca 0.26 0.40 0.03 0.00 -0.04 0.00 0.00 63.50 64.14 1z3r n PRO 53 Cb 0.43 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 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 -3.16 3.54 3.32 -1.94 -3.47 116.42 114.72 1z3r h ASP 54 Ca 0.00 0.00 -0.75 0.00 0.02 0.00 0.00 57.03 56.30 1z3r h ASP 54 Cb 0.26 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.58 1z3r h ASP 54 CO 0.00 0.47 -0.24 -0.69 -1.72 0.00 0.00 179.24 177.07 1z3r s VAL 55 N -2.98 5.19 0.03 -1.35 1.01 -0.68 -5.04 120.40 116.58 1z3r s VAL 55 Ca 0.01 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 1z3r s VAL 55 Cb 0.08 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1z3r s VAL 55 CO 0.77 -0.78 1.63 -0.62 0.00 0.00 0.00 175.10 176.09 1z3r s ASP 56 N 3.24 6.65 0.00 3.32 2.15 -1.26 -3.90 116.67 126.87 1z3r s ASP 56 Ca 0.04 2.38 0.10 0.00 0.43 0.00 0.00 52.55 55.50 1z3r s ASP 56 Cb -0.28 -2.56 0.24 0.00 -0.30 0.00 0.00 42.92 40.03 1z3r s ASP 56 CO 0.05 -0.88 1.15 1.33 -0.17 0.00 0.00 175.17 176.65 1z3r n VAL 57 N 4.90 0.79 -1.93 1.11 0.24 0.70 -4.93 118.33 119.21 1z3r n VAL 57 Ca 0.16 -0.90 -0.40 0.00 -2.04 0.00 0.00 64.34 61.16 1z3r n VAL 57 Cb 0.41 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 33.40 1z3r n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1z3r s ALA 58 N -0.97 2.34 -0.99 2.33 0.00 -1.26 -4.56 121.76 118.66 1z3r s ALA 58 Ca 0.19 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.78 1z3r s ALA 58 Cb 0.11 -4.20 0.10 0.00 0.00 0.00 0.00 23.12 19.12 1z3r s ALA 58 CO 0.14 -3.51 1.28 -1.64 0.00 0.00 0.00 175.76 172.02 1z3r s MET 59 N 6.74 3.63 0.16 0.00 -1.94 0.22 -4.89 119.30 123.22 1z3r s MET 59 Ca 0.78 -1.58 -0.31 0.00 -1.71 0.00 0.00 55.69 52.86 1z3r s MET 59 Cb -0.17 -5.10 -0.11 0.00 2.01 0.00 0.00 34.83 31.45 1z3r s MET 59 CO 0.26 -1.94 1.76 -0.51 -0.01 0.00 0.00 175.02 174.58 1z3r s LEU 60 N 3.49 4.38 -0.12 -0.03 1.43 -1.26 -0.21 118.68 126.36 1z3r s LEU 60 Ca 0.39 2.79 0.19 0.00 -1.03 0.00 0.00 54.13 56.46 1z3r s LEU 60 Cb -0.03 -3.58 -0.26 0.00 0.03 0.00 0.00 46.19 42.35 1z3r s LEU 60 CO -0.09 -0.98 0.27 -0.38 0.23 0.00 0.00 176.35 175.41 1z3r n ILE 61 N 4.35 1.00 -3.99 -0.59 2.08 0.48 -4.89 119.36 117.80 1z3r n ILE 61 Ca 0.17 -0.74 -0.25 0.00 0.56 0.00 0.00 62.75 62.48 1z3r n ILE 61 Cb 0.37 -0.38 -0.04 0.00 -0.75 0.00 0.00 39.64 38.84 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 -2.82 5.09 1.03 1.39 -1.32 -0.83 -5.00 115.64 113.19 1z3r s THR 62 Ca -0.09 -0.84 -0.11 0.00 -1.21 0.00 0.00 61.69 59.44 1z3r s THR 62 Cb 0.09 -3.64 0.20 0.00 -1.51 0.00 0.00 72.50 67.64 1z3r s THR 62 CO 0.85 -0.13 1.05 -2.65 -2.21 0.00 0.00 174.62 171.53 1z3r n PRO 63 N -0.61 -1.29 -0.29 7.08 -0.02 -1.26 -4.80 135.00 133.81 1z3r n PRO 63 Ca -0.08 -0.33 -0.07 0.00 -2.02 0.00 0.00 63.50 61.01 1z3r n PRO 63 Cb 0.55 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 -4.39 -0.05 -4.73 2.55 5.15 -1.26 -4.79 115.26 107.73 1z3r n ASN 64 Ca 0.08 -0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.64 1z3r n ASN 64 Cb 0.53 -0.15 -0.03 0.00 -0.53 0.00 0.00 39.78 39.59 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 1.62 4.45 0.10 1.20 0.04 -1.26 -4.35 135.00 136.79 1z3r s PRO 65 Ca 0.26 1.91 0.07 0.00 0.04 0.00 0.00 61.00 63.28 1z3r s PRO 65 Cb -0.22 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 1z3r s PRO 65 CO 0.10 -0.17 -0.18 0.95 0.04 0.00 0.00 177.00 177.74 1z3r s THR 66 N 0.20 1.48 -0.18 1.26 -4.23 -1.26 -0.69 115.64 112.21 1z3r s THR 66 Ca 0.55 -1.50 -0.08 0.00 -1.18 0.00 0.00 61.69 59.48 1z3r s THR 66 Cb -0.33 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1z3r s THR 66 CO 0.36 -0.16 0.07 -0.32 -0.54 0.00 0.00 174.62 174.02 1z3r s MET 67 N -1.97 3.98 0.18 3.99 1.75 0.29 -0.66 119.30 126.87 1z3r s MET 67 Ca 0.04 -0.34 -0.00 0.00 -1.25 0.00 0.00 55.69 54.14 1z3r s MET 67 Cb -0.09 -3.23 -0.04 0.00 2.84 0.00 0.00 34.83 34.30 1z3r s MET 67 CO 0.04 0.27 0.08 -1.21 -0.65 0.00 0.00 175.02 173.55 1z3r s GLU 68 N 0.39 1.12 0.09 4.11 2.02 -1.20 -1.38 118.70 123.84 1z3r s GLU 68 Ca 0.03 -1.57 0.26 0.00 0.02 0.00 0.00 54.97 53.71 1z3r s GLU 68 Cb -0.12 0.13 0.65 0.00 0.10 0.00 0.00 34.13 34.89 1z3r s GLU 68 CO 0.00 -0.30 1.56 0.27 0.02 0.00 0.00 175.26 176.81 1z3r n ASN 69 N -0.23 0.55 -0.40 -0.19 0.23 -1.26 -4.29 115.26 109.68 1z3r n ASN 69 Ca -0.02 0.21 0.07 0.00 -0.53 0.00 0.00 54.58 54.32 1z3r n ASN 69 Cb 0.65 -0.16 0.15 0.00 -2.08 0.00 0.00 39.78 38.34 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 -1.90 1.85 0.00 0.53 0.23 -1.26 -5.06 115.26 109.66 1z3r n ASN 70 Ca 0.05 -3.28 0.00 0.00 -0.53 0.00 0.00 54.58 50.82 1z3r n ASN 70 Cb 0.40 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 1z3r n ASN 70 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1z3r n GLY 71 N -1.10 0.38 4.66 4.83 0.00 -1.26 -0.13 105.19 112.58 1z3r n GLY 71 Ca 0.15 -1.45 0.01 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.08 2.52 -0.02 0.00 -1.26 -3.25 105.19 101.10 1z3r n GLY 72 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.44 1.30 3.57 -0.02 0.00 0.17 -4.82 105.19 104.95 1z3r n GLY 73 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1z3r n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1z3r s PHE 74 N -3.48 2.78 -0.06 1.61 5.36 -1.26 -0.75 117.98 122.18 1z3r s PHE 74 Ca 0.00 -0.12 -0.07 0.00 -0.96 0.00 0.00 56.93 55.78 1z3r s PHE 74 Cb 0.00 -1.51 0.02 0.00 -0.34 0.00 0.00 43.02 41.18 1z3r s PHE 74 CO 0.00 0.38 0.20 0.42 -1.46 0.00 0.00 175.22 174.76 1z3r s ILE 75 N -1.09 0.01 -0.04 3.12 1.01 -0.59 -4.81 121.20 118.82 1z3r s ILE 75 Ca 0.19 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1z3r s ILE 75 Cb -0.11 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.05 1z3r s ILE 75 CO 0.10 -0.07 -0.08 -0.70 0.00 0.00 0.00 174.94 174.19 1z3r s GLU 76 N -0.17 1.02 0.17 2.79 2.12 -1.26 -1.77 118.70 121.60 1z3r s GLU 76 Ca -0.03 -0.27 -0.06 0.00 0.36 0.00 0.00 54.97 54.97 1z3r s GLU 76 Cb -0.02 -0.94 -0.02 0.00 0.26 0.00 0.00 34.13 33.40 1z3r s GLU 76 CO 0.01 0.05 0.22 0.00 -0.54 0.00 0.00 175.26 175.00 1z3r s MET 77 N 0.43 1.15 0.08 4.30 0.23 -0.10 -0.39 119.30 125.00 1z3r s MET 77 Ca -0.07 -1.32 0.08 0.00 -1.03 0.00 0.00 55.69 53.35 1z3r s MET 77 Cb -0.11 0.34 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 1z3r s MET 77 CO 0.01 -0.40 -0.20 -1.14 -2.03 0.00 0.00 175.02 171.26 1z3r s GLN 78 N -4.02 1.15 0.07 3.16 0.74 0.70 0.18 119.66 121.64 1z3r s GLN 78 Ca 0.23 -1.07 -0.00 0.00 0.05 0.00 0.00 55.36 54.56 1z3r s GLN 78 Cb 0.04 -1.35 -0.04 0.00 1.10 0.00 0.00 33.01 32.76 1z3r s GLN 78 CO 0.03 0.32 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.56 1z3r s LEU 79 N -1.68 2.42 0.10 3.68 1.02 -1.26 -0.61 118.68 122.34 1z3r s LEU 79 Ca 0.06 -1.03 -0.31 0.00 0.02 0.00 0.00 54.13 52.87 1z3r s LEU 79 Cb -0.10 0.14 -0.08 0.00 0.02 0.00 0.00 46.19 46.17 1z3r s LEU 79 CO 0.03 -0.58 1.45 -2.16 0.02 0.00 0.00 176.35 175.11 1z3r s PRO 80 N -3.91 4.28 0.18 1.29 0.04 -1.26 -4.93 135.00 130.69 1z3r s PRO 80 Ca 0.10 2.13 -0.32 0.00 0.04 0.00 0.00 61.00 62.95 1z3r s PRO 80 Cb 0.07 -3.32 -0.16 0.00 0.04 0.00 0.00 34.50 31.13 1z3r s PRO 80 CO -0.07 -0.52 1.03 -2.30 0.04 0.00 0.00 177.00 175.17 1z3r n PRO 81 N 4.36 0.92 0.00 0.56 -0.02 -1.26 -4.72 135.00 134.84 1z3r n PRO 81 Ca 0.13 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1z3r n PRO 81 Cb 0.42 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.82 0.05 3.64 -1.23 0.00 -0.18 -4.91 105.19 104.38 1z3r n GLY 82 Ca 0.15 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 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 -3.40 6.41 -0.09 1.61 3.68 -1.26 -0.53 116.67 123.10 1z3r s ASP 83 Ca 0.00 1.93 -0.01 0.00 2.13 0.00 0.00 52.55 56.60 1z3r s ASP 83 Cb 0.00 -2.53 0.03 0.00 -1.45 0.00 0.00 42.92 38.97 1z3r s ASP 83 CO 0.00 -1.18 -0.04 0.20 0.13 0.00 0.00 175.17 174.28 1z3r s ASN 84 N 4.25 1.84 -0.50 -0.34 0.01 0.32 -1.16 114.94 119.37 1z3r s ASN 84 Ca 0.75 -0.19 -0.27 0.00 -0.71 0.00 0.00 52.86 52.45 1z3r s ASN 84 Cb -0.30 -0.63 0.03 0.00 0.41 0.00 0.00 41.25 40.76 1z3r s ASN 84 CO 0.30 -0.15 1.04 -0.63 -1.51 0.00 0.00 177.10 176.15 1z3r s ILE 85 N 1.81 4.30 0.08 0.60 1.09 0.32 -0.51 121.20 128.90 1z3r s ILE 85 Ca 0.04 0.86 -0.15 0.00 -1.10 0.00 0.00 60.65 60.31 1z3r s ILE 85 Cb -0.12 -4.55 -0.06 0.00 -1.06 0.00 0.00 42.46 36.66 1z3r s ILE 85 CO -0.06 -1.01 0.50 -0.63 -0.10 0.00 0.00 174.94 173.64 1z3r s ILE 86 N 4.19 4.90 0.06 2.92 1.01 0.27 -0.52 121.20 134.03 1z3r s ILE 86 Ca 0.41 0.89 0.06 0.00 0.00 0.00 0.00 60.65 62.00 1z3r s ILE 86 Cb -0.09 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1z3r s ILE 86 CO 0.27 0.41 -0.16 -0.31 0.00 0.00 0.00 174.94 175.16 1z3r s TYR 87 N -1.27 1.36 -0.42 3.97 2.02 0.17 -0.33 117.35 122.85 1z3r s TYR 87 Ca 0.31 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 1z3r s TYR 87 Cb -0.16 -0.79 0.13 0.00 -0.40 0.00 0.00 41.96 40.73 1z3r s TYR 87 CO 0.18 0.07 0.20 0.08 -1.57 0.00 0.00 175.55 174.51 1z3r s VAL 88 N -0.99 1.60 0.00 0.71 1.01 0.35 -2.92 120.40 120.15 1z3r s VAL 88 Ca 0.02 -2.48 0.00 0.00 0.00 0.00 0.00 61.98 59.51 1z3r s VAL 88 Cb -0.09 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1z3r s VAL 88 CO 0.02 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 174.91 1z3r n GLY 89 N 3.74 1.67 0.00 4.51 0.00 0.75 -2.70 105.19 113.17 1z3r n GLY 89 Ca 0.06 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 2.22 -1.80 1.61 4.07 0.53 -4.96 120.64 122.31 1z3r n GLU 90 Ca 0.00 -0.04 -0.42 0.00 -0.06 0.00 0.00 57.16 56.64 1z3r n GLU 90 Cb 0.00 -1.04 -0.02 0.00 -0.06 0.00 0.00 31.44 30.31 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 -3.00 4.36 0.22 4.31 2.96 -1.10 -5.00 118.68 121.43 1z3r s LEU 91 Ca -0.00 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 1z3r s LEU 91 Cb 0.06 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1z3r s LEU 91 CO 0.33 -0.91 0.10 -1.59 -1.32 0.00 0.00 176.35 172.96 1z3r s LYS 92 N 0.46 1.26 -0.24 1.98 -2.85 -1.26 -0.50 119.74 118.59 1z3r s LYS 92 Ca 0.69 -1.66 -0.12 0.00 -1.00 0.00 0.00 55.97 53.87 1z3r s LYS 92 Cb -0.47 -0.01 0.08 0.00 -2.06 0.00 0.00 37.83 35.37 1z3r s LYS 92 CO 0.38 -0.32 0.57 -1.58 0.10 0.00 0.00 175.35 174.51 1z3r s HIS 93 N -3.93 -0.92 -0.13 1.78 2.46 0.55 -4.97 115.29 110.13 1z3r s HIS 93 Ca 0.36 1.82 -0.29 0.00 0.47 0.00 0.00 55.06 57.41 1z3r s HIS 93 Cb 0.07 0.50 -0.02 0.00 -0.13 0.00 0.00 32.58 33.00 1z3r s HIS 93 CO 0.11 -0.48 1.27 -1.14 -2.47 0.00 0.00 174.74 172.04 1z3r s GLN 94 N 1.78 4.26 -0.09 2.88 0.74 -1.26 -0.56 119.66 127.40 1z3r s GLN 94 Ca -0.09 1.70 0.04 0.00 0.05 0.00 0.00 55.36 57.07 1z3r s GLN 94 Cb -0.08 -3.72 0.00 0.00 1.10 0.00 0.00 33.01 30.31 1z3r s GLN 94 CO -0.17 -0.65 -0.23 -0.46 -0.55 0.00 0.00 175.29 173.23 1z3r s TRP 95 N 3.19 2.45 -0.79 1.67 -0.11 0.33 -4.95 118.94 120.74 1z3r s TRP 95 Ca 0.56 -0.98 -0.13 0.00 1.22 0.00 0.00 56.10 56.77 1z3r s TRP 95 Cb -0.23 -1.64 0.21 0.00 -1.50 0.00 0.00 33.47 30.30 1z3r s TRP 95 CO 0.17 -0.39 0.72 -0.06 -4.62 0.00 0.00 176.95 172.77 1z3r s PHE 96 N 0.32 3.70 0.36 5.86 0.40 -1.26 -0.52 117.98 126.84 1z3r s PHE 96 Ca -0.17 -2.02 -0.27 0.00 -0.60 0.00 0.00 56.93 53.86 1z3r s PHE 96 Cb -0.17 -3.76 -0.09 0.00 0.51 0.00 0.00 43.02 39.50 1z3r s PHE 96 CO 0.08 -0.98 1.25 -1.14 0.70 0.00 0.00 175.22 175.14 1z3r s GLN 97 N 0.23 4.24 0.38 0.44 2.00 0.31 -4.81 119.66 122.44 1z3r s GLN 97 Ca 0.17 2.08 0.08 0.00 -2.00 0.00 0.00 55.36 55.68 1z3r s GLN 97 Cb -0.12 -2.93 -0.04 0.00 0.80 0.00 0.00 33.01 30.72 1z3r s GLN 97 CO -0.08 -0.24 0.23 -1.59 -0.50 0.00 0.00 175.29 173.11 1z3r s LYS 98 N -1.96 2.42 0.00 1.67 -2.85 -1.26 -1.01 119.74 116.75 1z3r s LYS 98 Ca 0.52 -1.59 0.00 0.00 -1.00 0.00 0.00 55.97 53.90 1z3r s LYS 98 Cb -0.37 -2.21 0.00 0.00 -2.06 0.00 0.00 37.83 33.19 1z3r s LYS 98 CO 0.48 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 176.31