#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 -0.12 -2.89 4.38 3.41 -1.26 -4.87 113.62 112.27 1z3r n SER 2 Ca 0.00 0.01 -0.28 0.00 -0.26 0.00 0.00 58.87 58.34 1z3r n SER 2 Cb 0.00 -0.80 -0.07 0.00 -0.26 0.00 0.00 64.21 63.08 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 7.51 2.90 -1.66 4.33 4.76 -1.26 -4.73 118.16 130.01 1z3r n LYS 3 Ca 0.64 -1.70 -0.42 0.00 -2.87 0.00 0.00 58.31 53.96 1z3r n LYS 3 Cb 0.05 -2.49 -0.03 0.00 -1.84 0.00 0.00 35.03 30.73 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 2.31 1.28 0.10 0.72 0.00 -1.26 -4.62 107.32 105.85 1z3r s GLY 4 Ca 0.63 1.22 0.07 0.00 0.00 0.00 0.00 44.72 46.65 1z3r s GLY 4 CO -0.04 3.53 1.23 1.04 0.00 0.00 0.00 173.10 178.86 1z3r n LEU 5 N 8.30 0.18 -0.04 0.66 4.77 -1.26 -3.42 117.00 126.19 1z3r n LEU 5 Ca 0.22 0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 56.77 1z3r n LEU 5 Cb 0.42 -0.60 -0.11 0.00 -2.33 0.00 0.00 43.42 40.80 1z3r n LEU 5 CO 0.67 -0.63 -0.83 0.35 -1.33 0.00 0.00 177.39 175.62 1z3r n THR 6 N -1.74 0.57 -2.14 -5.08 -2.24 -1.26 -5.01 114.28 97.37 1z3r n THR 6 Ca -0.00 -0.47 -0.39 0.00 -2.27 0.00 0.00 64.05 60.91 1z3r n THR 6 Cb 0.02 -0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 67.90 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 -2.57 2.94 0.80 4.78 2.02 -1.22 -5.04 117.35 119.07 1z3r s TYR 7 Ca -0.06 1.46 -0.08 0.00 -0.37 0.00 0.00 57.07 58.02 1z3r s TYR 7 Cb 0.06 -3.58 0.13 0.00 -0.40 0.00 0.00 41.96 38.16 1z3r s TYR 7 CO 0.56 -1.80 1.12 -0.08 -1.57 0.00 0.00 175.55 173.78 1z3r s THR 8 N -1.28 2.14 0.34 -0.71 -1.32 -1.26 -4.27 115.64 109.28 1z3r s THR 8 Ca 0.56 -0.26 -0.28 0.00 -1.21 0.00 0.00 61.69 60.50 1z3r s THR 8 Cb -0.36 -2.88 -0.10 0.00 -1.51 0.00 0.00 72.50 67.66 1z3r s THR 8 CO 0.46 0.00 1.22 -0.04 -2.21 0.00 0.00 174.62 174.05 1z3r s MET 9 N -5.44 4.32 0.69 7.08 -1.94 -1.26 -0.37 119.30 122.37 1z3r s MET 9 Ca 0.66 2.02 -0.15 0.00 -1.71 0.00 0.00 55.69 56.51 1z3r s MET 9 Cb -0.07 -2.98 0.02 0.00 2.01 0.00 0.00 34.83 33.81 1z3r s MET 9 CO 0.47 -0.14 1.13 0.00 -0.01 0.00 0.00 175.02 176.47 1z3r n ASP 11 N -2.60 4.01 0.14 0.00 -0.08 -1.26 -4.72 116.55 112.03 1z3r n ASP 11 Ca 0.11 0.77 0.08 0.00 -1.51 0.00 0.00 54.79 54.24 1z3r n ASP 11 Cb 0.52 -1.53 0.42 0.00 2.34 0.00 0.00 41.12 42.86 1z3r n ASP 11 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1z3r n LYS 12 N 7.77 0.10 0.00 -0.67 5.02 -1.26 -2.37 118.16 126.75 1z3r n LYS 12 Ca 0.22 0.58 0.03 0.00 -2.02 0.00 0.00 58.31 57.12 1z3r n LYS 12 Cb 0.42 -1.94 -0.01 0.00 -0.02 0.00 0.00 35.03 33.48 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 -1.65 2.64 0.49 7.82 0.00 -1.26 -1.02 120.51 127.53 1z3r n ALA 13 Ca -0.01 -0.34 0.11 0.00 0.00 0.00 0.00 53.44 53.20 1z3r n ALA 13 Cb 0.13 -0.22 0.27 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.45 2.27 -2.10 0.00 4.76 -1.00 -4.99 118.16 116.64 1z3r n LYS 14 Ca 0.02 -1.93 -0.29 0.00 -2.87 0.00 0.00 58.31 53.24 1z3r n LYS 14 Cb 0.12 -1.46 0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1z3r n LYS 14 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1z3r s PHE 15 N -1.48 3.42 -0.09 2.13 0.08 -1.26 -0.69 117.98 120.08 1z3r s PHE 15 Ca 0.37 0.98 -0.07 0.00 0.12 0.00 0.00 56.93 58.33 1z3r s PHE 15 Cb 0.21 -2.79 0.03 0.00 -0.57 0.00 0.00 43.02 39.89 1z3r s PHE 15 CO 0.29 -0.84 0.24 0.95 -0.10 0.00 0.00 175.22 175.75 1z3r s THR 16 N -3.14 -0.01 -0.34 0.64 -4.23 0.61 -4.93 115.64 104.24 1z3r s THR 16 Ca 0.55 0.03 -0.28 0.00 -1.18 0.00 0.00 61.69 60.81 1z3r s THR 16 Cb -0.11 -0.34 -0.01 0.00 1.34 0.00 0.00 72.50 73.37 1z3r s THR 16 CO 0.50 0.01 1.74 0.26 -0.54 0.00 0.00 174.62 176.59 1z3r s TRP 17 N 0.39 1.89 0.04 3.99 0.23 -1.26 -0.77 118.94 123.45 1z3r s TRP 17 Ca -0.02 0.63 -0.19 0.00 -2.03 0.00 0.00 56.10 54.49 1z3r s TRP 17 Cb -0.04 -4.16 -0.17 0.00 0.03 0.00 0.00 33.47 29.14 1z3r s TRP 17 CO -0.02 -2.81 1.26 0.87 0.96 0.00 0.00 176.95 177.20 1z3r h LYS 18 N 12.54 0.47 -2.52 4.98 1.57 -1.15 -3.44 116.57 129.01 1z3r h LYS 18 Ca -0.33 -0.34 -0.36 0.00 -1.87 0.00 0.00 60.65 57.75 1z3r h LYS 18 Cb 1.16 0.06 -0.36 0.00 0.08 0.00 0.00 32.23 33.16 1z3r h LYS 18 CO 1.04 0.96 -0.66 0.50 -0.57 0.00 0.00 179.45 180.72 1z3r s ARG 19 N -3.84 0.21 0.74 3.15 3.52 0.42 -4.94 118.95 118.21 1z3r s ARG 19 Ca -0.13 0.01 -0.15 0.00 -0.13 0.00 0.00 55.73 55.33 1z3r s ARG 19 Cb 0.05 -1.14 0.04 0.00 -1.56 0.00 0.00 34.95 32.34 1z3r s ARG 19 CO 0.80 -0.78 1.22 0.00 -0.81 0.00 0.00 175.30 175.73 1z3r n ALA 20 N 5.31 0.40 -1.65 6.12 0.00 -1.26 -0.66 120.51 128.77 1z3r n ALA 20 Ca -0.05 -0.20 -0.48 0.00 0.00 0.00 0.00 53.44 52.72 1z3r n ALA 20 Cb 0.48 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 1z3r n ALA 20 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1z3r n PRO 21 N -2.66 1.85 -4.12 0.00 -0.02 -1.26 -4.77 135.00 124.01 1z3r n PRO 21 Ca 0.14 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 62.21 1z3r n PRO 21 Cb 0.49 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.79 0.39 0.59 3.45 -1.32 -0.12 -4.98 115.64 114.44 1z3r s THR 22 Ca 0.80 -1.86 -0.18 0.00 -1.21 0.00 0.00 61.69 59.24 1z3r s THR 22 Cb -0.76 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 68.57 1z3r s THR 22 CO 0.41 -0.91 1.15 -0.62 -2.21 0.00 0.00 174.62 172.43 1z3r s ASP 23 N -2.98 5.40 0.30 8.08 -1.08 -1.26 -0.15 116.67 124.98 1z3r s ASP 23 Ca 0.10 2.19 0.21 0.00 -0.52 0.00 0.00 52.55 54.53 1z3r s ASP 23 Cb 0.07 -2.58 0.14 0.00 -1.46 0.00 0.00 42.92 39.09 1z3r s ASP 23 CO -0.07 -1.44 1.32 0.77 0.52 0.00 0.00 175.17 176.27 1z3r h SER 24 N 0.81 0.00 0.00 -0.34 4.64 -1.23 -3.43 113.55 114.00 1z3r h SER 24 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 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 0.56 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 1z3r n GLY 25 N 1.17 1.37 0.69 -0.77 0.00 -1.26 -4.94 105.19 101.45 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 0.33 -2.99 1.61 8.25 -1.26 -4.90 115.22 114.25 1z3r n HIS 26 Ca 0.00 -0.16 -0.22 0.00 -0.26 0.00 0.00 57.72 57.08 1z3r n HIS 26 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 0.58 -6.08 -4.39 0.41 8.00 -1.26 -5.04 116.55 108.77 1z3r n ASP 27 Ca 0.16 -0.28 -0.19 0.00 0.71 0.00 0.00 54.79 55.19 1z3r n ASP 27 Cb 0.37 -4.90 -0.10 0.00 -0.02 0.00 0.00 41.12 36.47 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 -3.17 1.21 -0.17 -3.53 -4.23 -1.26 -4.79 115.64 99.69 1z3r s THR 28 Ca 0.29 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1z3r s THR 28 Cb -0.13 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.19 1z3r s THR 28 CO 0.36 -0.20 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.38 1z3r s VAL 29 N -3.30 2.40 0.06 2.29 1.01 0.14 -0.63 120.40 122.37 1z3r s VAL 29 Ca 0.32 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1z3r s VAL 29 Cb 0.06 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1z3r s VAL 29 CO 0.12 0.52 -0.02 0.68 0.00 0.00 0.00 175.10 176.40 1z3r s VAL 30 N 1.13 3.94 0.27 2.92 -7.23 0.79 -0.61 120.40 121.59 1z3r s VAL 30 Ca 0.01 -0.92 -0.15 0.00 -1.81 0.00 0.00 61.98 59.11 1z3r s VAL 30 Cb -0.14 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 33.97 1z3r s VAL 30 CO -0.07 0.20 0.56 0.00 -0.31 0.00 0.00 175.10 175.48 1z3r s MET 31 N -2.05 1.66 -0.16 4.82 0.23 -0.93 -0.94 119.30 121.93 1z3r s MET 31 Ca 0.23 -1.21 -0.18 0.00 -1.03 0.00 0.00 55.69 53.51 1z3r s MET 31 Cb -0.12 0.52 0.05 0.00 -1.53 0.00 0.00 34.83 33.75 1z3r s MET 31 CO 0.15 -0.72 0.49 -2.00 -2.03 0.00 0.00 175.02 170.91 1z3r s GLU 32 N -3.88 0.61 0.11 3.16 2.12 0.17 -2.02 118.70 118.97 1z3r s GLU 32 Ca 0.19 0.57 0.02 0.00 0.36 0.00 0.00 54.97 56.11 1z3r s GLU 32 Cb -0.02 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.62 1z3r s GLU 32 CO 0.09 -0.10 -0.07 0.14 -0.54 0.00 0.00 175.26 174.79 1z3r s VAL 33 N 0.02 0.74 0.11 3.70 -7.23 -0.09 -0.43 120.40 117.21 1z3r s VAL 33 Ca -0.02 -1.95 0.10 0.00 -1.81 0.00 0.00 61.98 58.30 1z3r s VAL 33 Cb -0.03 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1z3r s VAL 33 CO 0.02 -0.84 -0.25 0.00 -0.31 0.00 0.00 175.10 173.72 1z3r s ALA 34 N -3.60 2.14 -0.05 1.32 0.00 0.05 -4.25 121.76 117.38 1z3r s ALA 34 Ca 0.13 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 1z3r s ALA 34 Cb 0.05 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.86 1z3r s ALA 34 CO -0.04 0.47 0.09 0.12 0.00 0.00 0.00 175.76 176.40 1z3r s PHE 35 N -1.04 -0.03 -1.29 0.00 5.36 -1.26 -0.28 117.98 119.44 1z3r s PHE 35 Ca 0.11 0.34 0.29 0.00 -0.96 0.00 0.00 56.93 56.71 1z3r s PHE 35 Cb -0.10 -0.33 1.30 0.00 -0.34 0.00 0.00 43.02 43.56 1z3r s PHE 35 CO 0.05 -0.18 1.93 0.43 -1.46 0.00 0.00 175.22 175.99 1z3r n SER 36 N 4.92 0.12 0.00 6.13 7.64 0.13 -4.83 113.62 127.72 1z3r n SER 36 Ca -0.12 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1z3r n SER 36 Cb 0.50 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 1.37 1.17 3.31 0.23 0.00 -1.26 -5.08 105.19 104.93 1z3r n GLY 37 Ca 0.11 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 0.36 -3.70 2.61 -2.24 -1.26 -5.09 114.28 104.96 1z3r n THR 38 Ca 0.00 -0.32 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 1z3r n THR 38 Cb 0.00 -0.46 -0.15 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 -2.93 0.04 0.93 -0.78 -0.14 -1.26 -4.50 119.74 111.10 1z3r s LYS 39 Ca 0.54 0.45 -0.13 0.00 -1.36 0.00 0.00 55.97 55.47 1z3r s LYS 39 Cb -0.24 -0.26 0.15 0.00 -1.68 0.00 0.00 37.83 35.80 1z3r s LYS 39 CO 0.69 -0.25 1.15 -1.25 -0.76 0.00 0.00 175.35 174.94 1z3r s PRO 40 N 1.78 0.98 0.11 -1.68 0.04 -1.26 -4.99 135.00 129.97 1z3r s PRO 40 Ca -0.02 0.19 -0.20 0.00 0.04 0.00 0.00 61.00 61.01 1z3r s PRO 40 Cb -0.12 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.64 1z3r s PRO 40 CO -0.05 -2.29 0.50 0.00 0.04 0.00 0.00 177.00 175.19 1z3r s ARG 42 N -3.35 4.50 -0.19 0.00 3.52 0.50 -0.79 118.95 123.15 1z3r s ARG 42 Ca -0.00 1.33 -0.29 0.00 -0.13 0.00 0.00 55.73 56.63 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 -0.09 -0.10 1.40 0.42 -0.81 0.00 0.00 175.30 176.11 1z3r s ILE 43 N 1.24 4.03 -1.21 4.11 1.01 -0.13 -1.01 121.20 129.25 1z3r s ILE 43 Ca 0.49 1.22 -0.20 0.00 0.00 0.00 0.00 60.65 62.16 1z3r s ILE 43 Cb -0.20 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 1z3r s ILE 43 CO 0.24 -0.23 1.89 -0.81 0.00 0.00 0.00 174.94 176.03 1z3r n PRO 44 N 7.04 2.33 -4.75 2.79 -0.04 -1.26 -4.80 135.00 136.31 1z3r n PRO 44 Ca 0.15 -2.71 -0.33 0.00 -0.04 0.00 0.00 63.50 60.57 1z3r n PRO 44 Cb 0.45 -3.49 -0.13 0.00 -0.04 0.00 0.00 33.50 30.29 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 6.84 3.28 0.07 0.52 1.01 -1.26 -0.56 120.40 130.28 1z3r s VAL 45 Ca 0.59 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.75 1z3r s VAL 45 Cb 0.05 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 34.13 1z3r s VAL 45 CO 0.09 0.56 0.50 0.00 0.00 0.00 0.00 175.10 176.25 1z3r s ARG 46 N -0.24 1.05 -0.13 2.72 1.70 -1.11 -5.03 118.95 117.91 1z3r s ARG 46 Ca 0.02 -0.32 0.02 0.00 -0.47 0.00 0.00 55.73 54.98 1z3r s ARG 46 Cb -0.13 0.48 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 1z3r s ARG 46 CO 0.03 -0.39 -0.20 0.00 -1.08 0.00 0.00 175.30 173.66 1z3r s ALA 47 N -2.73 2.08 -0.20 7.88 0.00 -1.26 -0.62 121.76 126.91 1z3r s ALA 47 Ca -0.04 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1z3r s ALA 47 Cb -0.00 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1z3r s ALA 47 CO -0.04 -0.05 -0.17 0.14 0.00 0.00 0.00 175.76 175.64 1z3r s VAL 48 N 0.88 2.03 0.45 0.00 -7.23 0.30 0.04 120.40 116.87 1z3r s VAL 48 Ca -0.07 -1.10 -0.24 0.00 -1.81 0.00 0.00 61.98 58.76 1z3r s VAL 48 Cb -0.15 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 34.78 1z3r s VAL 48 CO -0.02 0.37 1.31 0.00 -0.31 0.00 0.00 175.10 176.45 1z3r s ALA 49 N 1.26 3.11 -0.49 1.32 0.00 -1.26 -0.34 121.76 125.37 1z3r s ALA 49 Ca 0.01 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 1z3r s ALA 49 Cb -0.15 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.36 1z3r s ALA 49 CO -0.11 -0.98 2.36 1.58 0.00 0.00 0.00 175.76 178.62 1z3r n HIS 50 N -0.28 1.42 0.00 0.00 -0.00 -0.38 -1.03 115.22 114.96 1z3r n HIS 50 Ca 0.06 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1z3r n HIS 50 Cb 0.44 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.74 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 6.24 1.92 2.41 1.57 0.00 -1.26 -5.06 105.19 111.01 1z3r n GLY 51 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 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 2.98 0.46 4.61 0.00 -0.20 -4.98 120.51 123.39 1z3r n ALA 52 Ca 0.00 -3.67 0.08 0.00 0.00 0.00 0.00 53.44 49.85 1z3r n ALA 52 Cb 0.00 -0.84 0.35 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 1.92 0.05 0.15 0.00 -0.04 -1.26 -2.40 135.00 133.42 1z3r n PRO 53 Ca 0.25 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 1z3r n PRO 53 Cb 0.47 -1.59 0.36 0.00 -0.04 0.00 0.00 33.50 32.69 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 -3.73 3.54 3.32 -1.94 -3.45 116.42 114.15 1z3r h ASP 54 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1z3r h ASP 54 Cb 0.27 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.45 1z3r h ASP 54 CO 0.00 0.00 -0.72 -0.69 -1.72 0.00 0.00 179.24 176.11 1z3r s VAL 55 N -3.18 2.51 -0.11 -1.35 1.01 -1.01 -5.08 120.40 113.20 1z3r s VAL 55 Ca 0.09 -1.91 -0.29 0.00 0.00 0.00 0.00 61.98 59.86 1z3r s VAL 55 Cb 0.10 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1z3r s VAL 55 CO 0.60 -0.34 1.58 -0.62 0.00 0.00 0.00 175.10 176.31 1z3r s ASP 56 N 1.15 6.66 0.00 3.32 2.15 -1.26 -4.06 116.67 124.64 1z3r s ASP 56 Ca 0.01 2.02 0.22 0.00 0.43 0.00 0.00 52.55 55.23 1z3r s ASP 56 Cb -0.20 -2.53 0.20 0.00 -0.30 0.00 0.00 42.92 40.08 1z3r s ASP 56 CO -0.05 -0.96 1.20 1.33 -0.17 0.00 0.00 175.17 176.52 1z3r n VAL 57 N 5.65 0.06 -2.08 1.11 0.24 0.11 -4.94 118.33 118.47 1z3r n VAL 57 Ca 0.17 -0.53 -0.42 0.00 -2.04 0.00 0.00 64.34 61.52 1z3r n VAL 57 Cb 0.44 1.40 -0.03 0.00 -1.47 0.00 0.00 33.84 34.17 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 -1.76 3.64 -0.63 2.33 0.00 -1.25 -4.66 121.76 119.44 1z3r s ALA 58 Ca 0.26 1.11 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 1z3r s ALA 58 Cb 0.18 -3.62 0.16 0.00 0.00 0.00 0.00 23.12 19.85 1z3r s ALA 58 CO 0.27 -0.88 0.58 -1.64 0.00 0.00 0.00 175.76 174.09 1z3r s MET 59 N 1.99 3.15 0.09 0.00 -1.94 0.16 -4.93 119.30 117.83 1z3r s MET 59 Ca 0.68 -1.97 -0.33 0.00 -1.71 0.00 0.00 55.69 52.35 1z3r s MET 59 Cb -0.37 -4.31 -0.13 0.00 2.01 0.00 0.00 34.83 32.03 1z3r s MET 59 CO 0.30 -1.31 1.72 1.28 -0.01 0.00 0.00 175.02 177.00 1z3r n LEU 60 N 4.78 3.45 -0.11 -0.03 4.77 -1.26 0.01 117.00 128.62 1z3r n LEU 60 Ca -0.04 1.03 -0.13 0.00 -0.03 0.00 0.00 56.01 56.83 1z3r n LEU 60 Cb 0.42 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 39.92 1z3r n LEU 60 CO 0.46 -0.10 -1.23 -0.38 -1.33 0.00 0.00 177.39 174.82 1z3r n ILE 61 N 4.18 1.44 -2.69 -0.08 2.08 0.66 -4.89 119.36 120.05 1z3r n ILE 61 Ca 0.19 -0.73 -0.23 0.00 0.56 0.00 0.00 62.75 62.53 1z3r n ILE 61 Cb 0.31 -0.89 0.03 0.00 -0.75 0.00 0.00 39.64 38.34 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 -2.51 3.40 1.16 1.39 -1.32 -0.74 -4.99 115.64 112.04 1z3r s THR 62 Ca -0.21 -0.42 -0.13 0.00 -1.21 0.00 0.00 61.69 59.73 1z3r s THR 62 Cb 0.07 -3.30 0.28 0.00 -1.51 0.00 0.00 72.50 68.05 1z3r s THR 62 CO 0.73 -0.24 1.03 -2.84 -2.21 0.00 0.00 174.62 171.09 1z3r s PRO 63 N -4.77 -0.92 -0.81 7.08 0.02 -1.26 -4.78 135.00 129.56 1z3r s PRO 63 Ca 0.53 0.80 -0.33 0.00 0.02 0.00 0.00 61.00 62.02 1z3r s PRO 63 Cb -0.10 -1.56 -0.19 0.00 0.02 0.00 0.00 34.50 32.67 1z3r s PRO 63 CO 0.40 -3.71 2.54 -1.71 -0.33 0.00 0.00 177.00 174.19 1z3r n ASN 64 N -4.90 0.75 -4.80 2.53 5.15 -1.26 -4.88 115.26 107.85 1z3r n ASN 64 Ca 0.03 0.18 -0.35 0.00 -0.60 0.00 0.00 54.58 53.84 1z3r n ASN 64 Cb 0.55 -1.03 -0.06 0.00 -0.53 0.00 0.00 39.78 38.71 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 8.27 4.28 0.04 1.20 0.04 -1.26 -4.30 135.00 143.27 1z3r s PRO 65 Ca 1.27 1.26 0.03 0.00 0.04 0.00 0.00 61.00 63.61 1z3r s PRO 65 Cb -1.12 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 1z3r s PRO 65 CO 0.48 0.01 -0.11 0.95 0.04 0.00 0.00 177.00 178.38 1z3r s THR 66 N -1.91 0.80 -0.21 1.26 -4.23 -1.26 -0.96 115.64 109.12 1z3r s THR 66 Ca 0.58 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 59.99 1z3r s THR 66 Cb -0.14 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 1z3r s THR 66 CO 0.19 -0.21 0.07 -0.32 -0.54 0.00 0.00 174.62 173.81 1z3r s MET 67 N -1.38 3.82 0.39 3.99 1.75 0.03 -0.62 119.30 127.29 1z3r s MET 67 Ca -0.04 -0.41 0.04 0.00 -1.25 0.00 0.00 55.69 54.03 1z3r s MET 67 Cb -0.09 -3.26 -0.03 0.00 2.84 0.00 0.00 34.83 34.29 1z3r s MET 67 CO 0.01 0.06 0.12 -1.21 -0.65 0.00 0.00 175.02 173.35 1z3r s GLU 68 N 0.95 1.88 -0.09 4.11 2.02 -1.22 -1.35 118.70 125.00 1z3r s GLU 68 Ca 0.04 -2.13 0.14 0.00 0.02 0.00 0.00 54.97 53.04 1z3r s GLU 68 Cb -0.14 -0.62 -0.24 0.00 0.10 0.00 0.00 34.13 33.23 1z3r s GLU 68 CO 0.03 -0.44 0.47 0.27 0.02 0.00 0.00 175.26 175.60 1z3r n ASN 69 N -1.21 0.58 -2.27 -0.19 0.23 -1.26 -4.51 115.26 106.62 1z3r n ASN 69 Ca -0.05 0.28 -0.31 0.00 -0.53 0.00 0.00 54.58 53.96 1z3r n ASN 69 Cb 0.65 0.30 0.11 0.00 -2.08 0.00 0.00 39.78 38.76 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 -2.94 6.39 0.00 0.53 0.23 -1.26 -5.00 115.26 113.21 1z3r n ASN 70 Ca -0.22 -3.74 0.00 0.00 -0.53 0.00 0.00 54.58 50.09 1z3r n ASN 70 Cb 1.08 -0.92 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 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 -0.99 0.53 0.00 4.83 0.00 -1.26 -0.26 105.19 108.04 1z3r n GLY 71 Ca 0.61 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1z3r n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z3r n GLY 72 N 0.00 0.68 0.00 -0.02 0.00 -1.26 -3.39 105.19 101.20 1z3r n GLY 72 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 0.68 2.56 3.90 -0.02 0.00 0.21 -4.85 105.19 107.67 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 -2.69 3.50 -0.10 1.61 5.36 -1.26 -0.91 117.98 123.48 1z3r s PHE 74 Ca 0.00 0.45 -0.14 0.00 -0.96 0.00 0.00 56.93 56.28 1z3r s PHE 74 Cb 0.00 -1.91 0.03 0.00 -0.34 0.00 0.00 43.02 40.80 1z3r s PHE 74 CO 0.00 0.50 0.36 0.42 -1.46 0.00 0.00 175.22 175.05 1z3r s ILE 75 N -1.58 0.02 -0.02 3.12 1.01 -0.86 -4.68 121.20 118.21 1z3r s ILE 75 Ca 0.38 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.91 1z3r s ILE 75 Cb -0.13 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1z3r s ILE 75 CO 0.25 -0.07 -0.02 -0.70 0.00 0.00 0.00 174.94 174.40 1z3r s GLU 76 N -0.26 0.32 0.10 2.79 2.12 -1.26 -2.20 118.70 120.32 1z3r s GLU 76 Ca -0.04 -0.04 -0.06 0.00 0.36 0.00 0.00 54.97 55.19 1z3r s GLU 76 Cb -0.03 -0.39 -0.02 0.00 0.26 0.00 0.00 34.13 33.95 1z3r s GLU 76 CO 0.02 -0.02 0.14 0.00 -0.54 0.00 0.00 175.26 174.85 1z3r s MET 77 N 0.44 0.86 0.12 4.30 0.23 0.21 -0.25 119.30 125.22 1z3r s MET 77 Ca -0.04 -1.13 0.11 0.00 -1.03 0.00 0.00 55.69 53.59 1z3r s MET 77 Cb -0.07 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 33.49 1z3r s MET 77 CO -0.01 -0.26 -0.27 -1.14 -2.03 0.00 0.00 175.02 171.32 1z3r s GLN 78 N -3.92 1.42 0.06 3.16 0.74 0.10 0.26 119.66 121.49 1z3r s GLN 78 Ca 0.10 -1.33 -0.08 0.00 0.05 0.00 0.00 55.36 54.10 1z3r s GLN 78 Cb 0.06 -1.90 -0.00 0.00 1.10 0.00 0.00 33.01 32.26 1z3r s GLN 78 CO -0.07 0.45 0.17 -0.51 -0.55 0.00 0.00 175.29 174.79 1z3r s LEU 79 N -2.00 1.49 0.06 3.68 1.02 -1.26 -0.67 118.68 121.01 1z3r s LEU 79 Ca 0.14 -0.55 -0.32 0.00 0.02 0.00 0.00 54.13 53.42 1z3r s LEU 79 Cb -0.10 0.92 -0.11 0.00 0.02 0.00 0.00 46.19 46.92 1z3r s LEU 79 CO 0.06 -0.64 1.85 -2.65 0.02 0.00 0.00 176.35 174.99 1z3r n PRO 80 N 0.31 2.59 -1.65 1.29 -0.02 -1.26 -4.91 135.00 131.35 1z3r n PRO 80 Ca -0.17 0.95 -0.52 0.00 -2.02 0.00 0.00 63.50 61.74 1z3r n PRO 80 Cb 0.61 -2.83 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 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 6.00 1.43 0.00 0.52 -0.02 -1.26 -4.67 135.00 137.00 1z3r n PRO 81 Ca 0.19 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1z3r n PRO 81 Cb 0.35 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1z3r n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1z3r n GLY 82 N 3.37 0.60 3.65 -1.23 0.00 -0.92 -4.94 105.19 105.71 1z3r n GLY 82 Ca 0.21 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 -3.67 6.74 -0.09 1.61 2.15 -1.26 -0.27 116.67 121.88 1z3r s ASP 83 Ca 0.00 0.92 0.01 0.00 0.43 0.00 0.00 52.55 53.91 1z3r s ASP 83 Cb 0.00 -2.39 0.02 0.00 -0.30 0.00 0.00 42.92 40.25 1z3r s ASP 83 CO 0.00 -0.40 -0.13 0.20 -0.17 0.00 0.00 175.17 174.68 1z3r s ASN 84 N 1.31 2.14 -0.39 -0.34 0.01 -0.07 -1.24 114.94 116.36 1z3r s ASN 84 Ca 0.31 -0.35 -0.24 0.00 -0.71 0.00 0.00 52.86 51.87 1z3r s ASN 84 Cb -0.16 -0.94 0.01 0.00 0.41 0.00 0.00 41.25 40.58 1z3r s ASN 84 CO 0.09 -0.01 0.81 -0.63 -1.51 0.00 0.00 177.10 175.85 1z3r s ILE 85 N 1.02 4.68 -0.31 0.60 1.09 0.54 -0.65 121.20 128.17 1z3r s ILE 85 Ca -0.07 0.80 -0.13 0.00 -1.10 0.00 0.00 60.65 60.15 1z3r s ILE 85 Cb -0.15 -4.26 -0.03 0.00 -1.06 0.00 0.00 42.46 36.96 1z3r s ILE 85 CO -0.01 -0.54 0.27 -0.63 -0.10 0.00 0.00 174.94 173.93 1z3r s ILE 86 N 3.23 5.25 0.02 2.92 1.01 0.41 -0.54 121.20 133.50 1z3r s ILE 86 Ca 0.32 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.08 1z3r s ILE 86 Cb -0.13 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1z3r s ILE 86 CO 0.19 0.10 0.18 -0.31 0.00 0.00 0.00 174.94 175.10 1z3r s TYR 87 N 1.86 3.50 -0.51 3.97 2.02 0.21 -0.87 117.35 127.53 1z3r s TYR 87 Ca 0.09 0.30 0.04 0.00 -0.37 0.00 0.00 57.07 57.13 1z3r s TYR 87 Cb -0.16 -1.79 0.13 0.00 -0.40 0.00 0.00 41.96 39.73 1z3r s TYR 87 CO 0.11 0.62 0.25 0.08 -1.57 0.00 0.00 175.55 175.03 1z3r s VAL 88 N -1.37 2.52 0.00 0.71 1.01 0.49 -2.73 120.40 121.02 1z3r s VAL 88 Ca 0.29 -3.24 0.00 0.00 0.00 0.00 0.00 61.98 59.03 1z3r s VAL 88 Cb -0.13 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1z3r s VAL 88 CO 0.21 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 175.13 1z3r n GLY 89 N 3.18 1.60 0.00 4.51 0.00 0.27 -2.78 105.19 111.97 1z3r n GLY 89 Ca 0.05 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.24 4.48 -1.94 1.61 4.07 -0.19 -4.95 120.64 123.96 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 -0.80 -0.02 0.00 -0.06 0.00 0.00 31.44 30.56 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 -2.42 4.37 0.26 4.31 2.96 -1.12 -5.03 118.68 122.02 1z3r s LEU 91 Ca 0.01 2.77 0.03 0.00 -0.22 0.00 0.00 54.13 56.72 1z3r s LEU 91 Cb 0.04 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1z3r s LEU 91 CO 0.21 -0.76 0.19 -1.59 -1.32 0.00 0.00 176.35 173.08 1z3r s LYS 92 N -0.57 1.46 -0.00 1.98 -2.85 -1.26 -0.38 119.74 118.11 1z3r s LYS 92 Ca 0.60 -1.81 -0.19 0.00 -1.00 0.00 0.00 55.97 53.56 1z3r s LYS 92 Cb -0.44 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 35.64 1z3r s LYS 92 CO 0.46 -0.50 0.42 -1.58 0.10 0.00 0.00 175.35 174.25 1z3r s HIS 93 N -3.83 -0.31 -0.23 1.78 2.46 -0.05 -4.97 115.29 110.14 1z3r s HIS 93 Ca 0.40 0.44 -0.28 0.00 0.47 0.00 0.00 55.06 56.09 1z3r s HIS 93 Cb 0.05 0.20 0.01 0.00 -0.13 0.00 0.00 32.58 32.71 1z3r s HIS 93 CO 0.19 -0.49 1.00 -1.14 -2.47 0.00 0.00 174.74 171.83 1z3r s GLN 94 N -1.63 4.24 -0.25 2.88 0.74 -1.26 -0.45 119.66 123.92 1z3r s GLN 94 Ca -0.11 1.27 -0.00 0.00 0.05 0.00 0.00 55.36 56.58 1z3r s GLN 94 Cb -0.03 -3.64 0.04 0.00 1.10 0.00 0.00 33.01 30.48 1z3r s GLN 94 CO 0.04 -0.61 -0.08 -0.46 -0.55 0.00 0.00 175.29 173.63 1z3r s TRP 95 N 3.14 3.13 -0.84 1.67 -0.11 0.18 -4.96 118.94 121.15 1z3r s TRP 95 Ca 0.42 -1.82 -0.23 0.00 1.22 0.00 0.00 56.10 55.69 1z3r s TRP 95 Cb -0.15 -2.02 0.07 0.00 -1.50 0.00 0.00 33.47 29.86 1z3r s TRP 95 CO 0.06 -0.79 1.22 -0.06 -4.62 0.00 0.00 176.95 172.76 1z3r s PHE 96 N 1.25 2.62 0.30 5.86 0.08 -1.26 -0.89 117.98 125.94 1z3r s PHE 96 Ca -0.03 -0.68 -0.28 0.00 0.12 0.00 0.00 56.93 56.06 1z3r s PHE 96 Cb -0.18 -4.50 -0.09 0.00 -0.57 0.00 0.00 43.02 37.68 1z3r s PHE 96 CO -0.05 -1.81 1.05 -1.14 -0.10 0.00 0.00 175.22 173.17 1z3r s GLN 97 N 4.49 4.58 0.21 0.44 2.00 0.63 -4.89 119.66 127.12 1z3r s GLN 97 Ca 0.35 1.67 0.11 0.00 -2.00 0.00 0.00 55.36 55.48 1z3r s GLN 97 Cb -0.07 -3.06 -0.04 0.00 0.80 0.00 0.00 33.01 30.64 1z3r s GLN 97 CO 0.01 0.20 -0.20 -1.59 -0.50 0.00 0.00 175.29 173.21 1z3r s LYS 98 N -1.64 1.65 0.00 1.67 -2.85 -1.26 -2.17 119.74 115.14 1z3r s LYS 98 Ca 0.47 -1.51 0.00 0.00 -1.00 0.00 0.00 55.97 53.92 1z3r s LYS 98 Cb -0.28 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.59 1z3r s LYS 98 CO 0.36 0.39 0.00 0.41 0.10 0.00 0.00 175.35 176.61