#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 2.45 -4.56 4.38 3.41 -1.26 -4.90 113.62 113.14 1z3r n SER 2 Ca 0.00 -0.19 -0.39 0.00 -0.26 0.00 0.00 58.87 58.03 1z3r n SER 2 Cb 0.00 -1.51 -0.03 0.00 -0.26 0.00 0.00 64.21 62.41 1z3r n SER 2 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1z3r s LYS 3 N 7.62 2.57 -1.08 4.33 -0.14 -1.26 -4.92 119.74 126.86 1z3r s LYS 3 Ca 1.02 1.15 -0.20 0.00 -1.36 0.00 0.00 55.97 56.58 1z3r s LYS 3 Cb -0.34 -4.43 0.08 0.00 -1.68 0.00 0.00 37.83 31.45 1z3r s LYS 3 CO 0.32 -2.76 1.46 0.20 -0.76 0.00 0.00 175.35 173.81 1z3r s GLY 4 N 9.38 1.54 0.58 -3.33 0.00 -1.26 -4.84 107.32 109.39 1z3r s GLY 4 Ca 0.83 -2.57 0.31 0.00 0.00 0.00 0.00 44.72 43.29 1z3r s GLY 4 CO 0.26 2.54 1.77 1.41 0.00 0.00 0.00 173.10 179.07 1z3r h LEU 5 N 12.11 0.00 -1.09 0.66 3.38 -1.91 -2.68 115.31 125.78 1z3r h LEU 5 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1z3r h LEU 5 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1z3r h LEU 5 CO 1.37 0.00 -0.08 0.35 0.09 0.00 0.00 178.44 180.17 1z3r n THR 6 N -3.81 0.00 -2.22 0.22 -2.24 -1.26 -5.04 114.28 99.94 1z3r n THR 6 Ca 0.17 -0.46 -0.37 0.00 -2.27 0.00 0.00 64.05 61.12 1z3r n THR 6 Cb 1.02 1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 70.41 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 -0.96 2.76 0.69 4.78 2.02 -1.01 -5.02 117.35 120.61 1z3r s TYR 7 Ca 0.09 1.53 -0.15 0.00 -0.37 0.00 0.00 57.07 58.17 1z3r s TYR 7 Cb 0.07 -3.39 0.02 0.00 -0.40 0.00 0.00 41.96 38.26 1z3r s TYR 7 CO 0.16 -1.65 1.15 0.99 -1.57 0.00 0.00 175.55 174.64 1z3r s THR 8 N -1.59 2.81 0.52 -0.71 2.01 -1.26 -4.30 115.64 113.12 1z3r s THR 8 Ca 0.67 0.39 -0.21 0.00 0.31 0.00 0.00 61.69 62.85 1z3r s THR 8 Cb -0.28 -2.93 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 1z3r s THR 8 CO 0.33 -0.22 1.22 -0.04 -0.69 0.00 0.00 174.62 175.23 1z3r s MET 9 N -3.98 3.36 0.63 4.92 -1.94 -1.26 -0.24 119.30 120.79 1z3r s MET 9 Ca 0.70 1.89 -0.13 0.00 -1.71 0.00 0.00 55.69 56.45 1z3r s MET 9 Cb -0.24 -2.21 -0.02 0.00 2.01 0.00 0.00 34.83 34.36 1z3r s MET 9 CO 0.43 -0.91 1.05 0.00 -0.01 0.00 0.00 175.02 175.57 1z3r s ASP 11 N -3.48 6.53 0.64 0.00 -1.08 -1.26 -4.70 116.67 113.32 1z3r s ASP 11 Ca 0.59 2.64 0.41 0.00 -0.52 0.00 0.00 52.55 55.67 1z3r s ASP 11 Cb -0.14 -2.58 2.22 0.00 -1.46 0.00 0.00 42.92 40.97 1z3r s ASP 11 CO 0.47 -0.90 2.32 0.11 0.52 0.00 0.00 175.17 177.68 1z3r h LYS 12 N 7.66 0.00 -0.00 4.34 1.57 -1.93 -3.20 116.57 125.00 1z3r h LYS 12 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1z3r h LYS 12 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1z3r h LYS 12 CO 0.93 0.01 -0.42 0.00 -0.57 0.00 0.00 179.45 179.40 1z3r n ALA 13 N -2.13 3.22 0.28 3.86 0.00 -1.26 -0.40 120.51 124.09 1z3r n ALA 13 Ca -0.03 -0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.15 1z3r n ALA 13 Cb 0.10 -0.37 0.23 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.99 2.48 -3.42 0.00 4.76 -1.21 -4.96 118.16 114.83 1z3r n LYS 14 Ca 0.03 -1.83 -0.27 0.00 -2.87 0.00 0.00 58.31 53.36 1z3r n LYS 14 Cb 0.18 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 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 -1.55 3.48 -0.00 2.13 0.08 -1.26 -0.52 117.98 120.34 1z3r s PHE 15 Ca 0.33 0.52 -0.03 0.00 0.12 0.00 0.00 56.93 57.87 1z3r s PHE 15 Cb 0.19 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1z3r s PHE 15 CO 0.19 0.21 0.06 0.95 -0.10 0.00 0.00 175.22 176.53 1z3r s THR 16 N -2.08 0.06 -0.41 0.64 -4.23 0.52 -4.94 115.64 105.20 1z3r s THR 16 Ca 0.42 -0.49 -0.29 0.00 -1.18 0.00 0.00 61.69 60.15 1z3r s THR 16 Cb -0.11 -0.26 0.01 0.00 1.34 0.00 0.00 72.50 73.48 1z3r s THR 16 CO 0.31 -0.27 1.42 0.26 -0.54 0.00 0.00 174.62 175.80 1z3r s TRP 17 N -0.85 2.38 0.19 3.99 0.23 -1.26 -0.77 118.94 122.84 1z3r s TRP 17 Ca -0.09 0.67 0.02 0.00 -2.03 0.00 0.00 56.10 54.67 1z3r s TRP 17 Cb -0.06 -4.31 0.09 0.00 0.03 0.00 0.00 33.47 29.23 1z3r s TRP 17 CO 0.00 -2.01 1.45 -0.22 0.96 0.00 0.00 176.95 177.13 1z3r h LYS 18 N 10.77 0.26 -2.15 4.98 3.64 -0.96 -3.44 116.57 129.67 1z3r h LYS 18 Ca -0.28 -0.23 -0.16 0.00 -1.27 0.00 0.00 60.65 58.71 1z3r h LYS 18 Cb 1.11 0.05 -0.30 0.00 -0.41 0.00 0.00 32.23 32.68 1z3r h LYS 18 CO 1.08 0.90 -0.48 0.50 -2.27 0.00 0.00 179.45 179.18 1z3r s ARG 19 N -3.49 0.31 0.74 1.90 3.52 0.32 -4.93 118.95 117.32 1z3r s ARG 19 Ca -0.04 0.61 -0.15 0.00 -0.13 0.00 0.00 55.73 56.01 1z3r s ARG 19 Cb 0.11 -0.38 0.03 0.00 -1.56 0.00 0.00 34.95 33.16 1z3r s ARG 19 CO 0.82 -0.54 1.19 0.00 -0.81 0.00 0.00 175.30 175.95 1z3r n ALA 20 N 5.36 0.34 -1.69 6.12 0.00 -1.26 -0.55 120.51 128.82 1z3r n ALA 20 Ca -0.05 -0.19 -0.55 0.00 0.00 0.00 0.00 53.44 52.65 1z3r n ALA 20 Cb 0.50 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 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 -2.51 1.31 -4.13 0.00 -0.02 -1.26 -4.65 135.00 123.74 1z3r n PRO 21 Ca 0.14 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 61.99 1z3r n PRO 21 Cb 0.49 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.23 0.00 0.25 3.45 -1.32 0.01 -4.97 115.64 116.30 1z3r s THR 22 Ca 0.96 -1.79 -0.30 0.00 -1.21 0.00 0.00 61.69 59.35 1z3r s THR 22 Cb -1.00 -2.40 -0.09 0.00 -1.51 0.00 0.00 72.50 67.51 1z3r s THR 22 CO 0.61 0.00 1.02 -0.62 -2.21 0.00 0.00 174.62 173.42 1z3r s ASP 23 N -3.11 7.45 0.00 8.08 2.15 -1.26 -0.57 116.67 129.41 1z3r s ASP 23 Ca 0.33 2.10 0.19 0.00 0.43 0.00 0.00 52.55 55.59 1z3r s ASP 23 Cb 0.04 -2.62 1.01 0.00 -0.30 0.00 0.00 42.92 41.05 1z3r s ASP 23 CO 0.11 -0.00 1.56 -1.54 -0.17 0.00 0.00 175.17 175.12 1z3r n SER 24 N 1.46 0.00 0.00 -0.34 3.41 0.24 -4.80 113.62 113.58 1z3r n SER 24 Ca -0.01 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1z3r n SER 24 Cb 0.46 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.25 1.33 0.55 5.00 0.00 -1.26 -4.89 105.19 106.17 1z3r n GLY 25 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.98 1.61 8.25 -1.26 -5.00 115.22 115.84 1z3r n HIS 26 Ca 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 1z3r n HIS 26 Cb 0.00 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.01 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 -0.36 -4.21 -4.88 0.41 10.43 -1.26 -5.00 116.55 111.68 1z3r n ASP 27 Ca 0.06 0.00 -0.21 0.00 2.57 0.00 0.00 54.79 57.21 1z3r n ASP 27 Cb 0.75 -1.98 -0.03 0.00 1.84 0.00 0.00 41.12 41.70 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 -1.56 4.42 -0.29 -3.53 -4.23 -1.26 -4.73 115.64 104.46 1z3r s THR 28 Ca 0.00 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1z3r s THR 28 Cb 0.00 -3.46 0.06 0.00 1.34 0.00 0.00 72.50 70.44 1z3r s THR 28 CO 0.00 -0.29 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.05 1z3r s VAL 29 N -2.14 2.55 0.05 2.29 1.01 0.13 -0.59 120.40 123.70 1z3r s VAL 29 Ca 0.36 -1.58 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 1z3r s VAL 29 Cb -0.08 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1z3r s VAL 29 CO 0.27 -0.11 0.35 0.68 0.00 0.00 0.00 175.10 176.28 1z3r s VAL 30 N 1.15 5.18 0.23 2.92 -7.23 0.26 -1.15 120.40 121.76 1z3r s VAL 30 Ca -0.06 0.35 -0.12 0.00 -1.81 0.00 0.00 61.98 60.34 1z3r s VAL 30 Cb -0.20 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.12 1z3r s VAL 30 CO -0.03 0.33 0.44 0.00 -0.31 0.00 0.00 175.10 175.52 1z3r s MET 31 N -1.82 1.47 -0.10 4.82 0.23 -0.36 -0.80 119.30 122.73 1z3r s MET 31 Ca 0.30 -1.24 -0.16 0.00 -1.03 0.00 0.00 55.69 53.56 1z3r s MET 31 Cb -0.14 0.45 0.04 0.00 -1.53 0.00 0.00 34.83 33.65 1z3r s MET 31 CO 0.17 -0.60 0.41 -2.00 -2.03 0.00 0.00 175.02 170.97 1z3r s GLU 32 N -4.01 0.61 0.22 3.16 2.12 0.28 -1.58 118.70 119.50 1z3r s GLU 32 Ca 0.22 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.90 1z3r s GLU 32 Cb 0.00 0.28 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 1z3r s GLU 32 CO 0.07 -0.13 -0.03 0.14 -0.54 0.00 0.00 175.26 174.77 1z3r s VAL 33 N -0.42 1.18 0.03 3.70 -7.23 0.19 -0.38 120.40 117.48 1z3r s VAL 33 Ca -0.05 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.09 1z3r s VAL 33 Cb -0.03 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1z3r s VAL 33 CO 0.03 -0.40 -0.12 0.00 -0.31 0.00 0.00 175.10 174.30 1z3r s ALA 34 N -3.32 0.97 -0.05 1.32 0.00 0.05 -4.48 121.76 116.24 1z3r s ALA 34 Ca 0.26 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 1z3r s ALA 34 Cb 0.05 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.05 1z3r s ALA 34 CO 0.08 0.17 0.11 0.12 0.00 0.00 0.00 175.76 176.24 1z3r s PHE 35 N -0.76 -0.10 -2.47 0.00 5.36 -1.26 -0.36 117.98 118.39 1z3r s PHE 35 Ca 0.00 0.38 0.27 0.00 -0.96 0.00 0.00 56.93 56.62 1z3r s PHE 35 Cb -0.07 -0.14 0.83 0.00 -0.34 0.00 0.00 43.02 43.30 1z3r s PHE 35 CO 0.01 -0.15 1.62 0.43 -1.46 0.00 0.00 175.22 175.67 1z3r n SER 36 N 4.26 1.70 -1.07 6.13 7.64 0.33 -4.93 113.62 127.68 1z3r n SER 36 Ca -0.26 -1.50 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1z3r n SER 36 Cb 0.51 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 1.23 1.34 3.50 0.23 0.00 -1.26 -5.07 105.19 105.16 1z3r n GLY 37 Ca 0.17 -1.98 -0.43 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 -0.39 1.95 -4.15 2.61 -2.24 -1.26 -5.04 114.28 105.75 1z3r n THR 38 Ca 0.00 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 1z3r n THR 38 Cb 0.00 -0.67 -0.16 0.00 -2.10 0.00 0.00 70.33 67.39 1z3r n THR 38 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1z3r s LYS 39 N -1.58 2.70 0.79 -0.78 -0.14 -1.26 -3.86 119.74 115.60 1z3r s LYS 39 Ca 0.62 -0.72 -0.11 0.00 -1.36 0.00 0.00 55.97 54.40 1z3r s LYS 39 Cb -0.65 -2.35 0.07 0.00 -1.68 0.00 0.00 37.83 33.22 1z3r s LYS 39 CO 0.58 -0.20 1.15 -1.25 -0.76 0.00 0.00 175.35 174.88 1z3r s PRO 40 N 1.31 2.07 0.17 -1.68 0.04 -1.26 -4.94 135.00 130.71 1z3r s PRO 40 Ca 0.03 0.11 -0.18 0.00 0.04 0.00 0.00 61.00 61.00 1z3r s PRO 40 Cb -0.13 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1z3r s PRO 40 CO -0.11 -1.51 0.52 0.00 0.04 0.00 0.00 177.00 175.94 1z3r s ARG 42 N -3.84 4.36 -0.12 0.00 3.52 0.66 -0.48 118.95 123.06 1z3r s ARG 42 Ca 0.06 0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 56.03 1z3r s ARG 42 Cb -0.00 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1z3r s ARG 42 CO -0.07 0.05 1.44 0.42 -0.81 0.00 0.00 175.30 176.33 1z3r s ILE 43 N 0.93 3.96 -0.90 4.11 1.01 -0.22 -0.57 121.20 129.52 1z3r s ILE 43 Ca 0.31 1.16 -0.19 0.00 0.00 0.00 0.00 60.65 61.94 1z3r s ILE 43 Cb -0.16 -3.76 -0.11 0.00 0.01 0.00 0.00 42.46 38.44 1z3r s ILE 43 CO 0.14 -0.11 2.01 -0.81 0.00 0.00 0.00 174.94 176.17 1z3r n PRO 44 N 6.86 1.81 -2.56 2.79 -0.04 -1.26 -4.81 135.00 137.79 1z3r n PRO 44 Ca 0.15 -1.91 -0.33 0.00 -0.04 0.00 0.00 63.50 61.38 1z3r n PRO 44 Cb 0.44 -2.91 -0.05 0.00 -0.04 0.00 0.00 33.50 30.94 1z3r n PRO 44 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1z3r s VAL 45 N 4.48 4.42 -0.03 0.52 0.11 -1.26 -0.73 120.40 127.91 1z3r s VAL 45 Ca 0.54 1.31 -0.29 0.00 -2.93 0.00 0.00 61.98 60.61 1z3r s VAL 45 Cb 0.14 -3.65 0.10 0.00 -1.53 0.00 0.00 36.38 31.44 1z3r s VAL 45 CO 0.06 -0.52 0.90 0.00 -3.33 0.00 0.00 175.10 172.21 1z3r s ARG 46 N -3.69 0.80 -0.19 1.54 1.70 -0.81 -4.97 118.95 113.34 1z3r s ARG 46 Ca 0.61 -0.22 0.01 0.00 -0.47 0.00 0.00 55.73 55.65 1z3r s ARG 46 Cb -0.10 0.37 0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1z3r s ARG 46 CO 0.24 -0.33 -0.12 0.00 -1.08 0.00 0.00 175.30 174.00 1z3r s ALA 47 N -2.79 2.02 -0.24 7.88 0.00 -1.26 -0.30 121.76 127.08 1z3r s ALA 47 Ca 0.04 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1z3r s ALA 47 Cb -0.01 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.91 1z3r s ALA 47 CO -0.07 -0.66 -0.06 0.14 0.00 0.00 0.00 175.76 175.11 1z3r s VAL 48 N 1.40 3.02 0.65 0.00 -7.23 0.44 -0.10 120.40 118.57 1z3r s VAL 48 Ca 0.01 -0.84 -0.15 0.00 -1.81 0.00 0.00 61.98 59.19 1z3r s VAL 48 Cb -0.15 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 1z3r s VAL 48 CO -0.09 0.29 1.11 0.00 -0.31 0.00 0.00 175.10 176.09 1z3r s ALA 49 N 1.38 2.50 -0.78 1.32 0.00 -1.25 -0.40 121.76 124.52 1z3r s ALA 49 Ca 0.02 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1z3r s ALA 49 Cb -0.16 -3.32 -0.16 0.00 0.00 0.00 0.00 23.12 19.49 1z3r s ALA 49 CO -0.04 -1.22 2.57 1.58 0.00 0.00 0.00 175.76 178.65 1z3r n HIS 50 N -2.32 0.92 0.00 0.00 -0.00 -0.38 -1.30 115.22 112.14 1z3r n HIS 50 Ca 0.10 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.55 1z3r n HIS 50 Cb 0.52 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 27.92 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 6.29 1.01 2.44 1.57 0.00 -1.26 -5.05 105.19 110.18 1z3r n GLY 51 Ca 0.54 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.65 2.92 0.39 4.61 0.00 -0.42 -4.99 120.51 122.37 1z3r n ALA 52 Ca 0.00 -3.39 0.08 0.00 0.00 0.00 0.00 53.44 50.12 1z3r n ALA 52 Cb 0.00 -0.80 0.33 0.00 0.00 0.00 0.00 19.45 18.98 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 2.48 0.06 0.11 0.00 -0.04 -1.26 -2.22 135.00 134.13 1z3r n PRO 53 Ca 0.27 0.35 -0.01 0.00 -0.04 0.00 0.00 63.50 64.07 1z3r n PRO 53 Cb 0.46 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 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 -3.47 3.54 3.32 -1.94 -3.46 116.42 114.41 1z3r h ASP 54 Ca 0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.33 1z3r h ASP 54 Cb 0.23 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.54 1z3r h ASP 54 CO 0.00 0.70 -0.45 -0.69 -1.72 0.00 0.00 179.24 177.08 1z3r s VAL 55 N -2.88 4.75 0.02 -1.35 1.01 -0.94 -5.05 120.40 115.95 1z3r s VAL 55 Ca 0.03 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 1z3r s VAL 55 Cb 0.09 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 1z3r s VAL 55 CO 0.77 -0.40 1.63 -0.62 0.00 0.00 0.00 175.10 176.49 1z3r s ASP 56 N 1.96 6.65 0.00 3.32 2.15 -1.26 -3.91 116.67 125.57 1z3r s ASP 56 Ca 0.03 2.36 0.17 0.00 0.43 0.00 0.00 52.55 55.54 1z3r s ASP 56 Cb -0.21 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.10 1z3r s ASP 56 CO 0.06 -0.88 1.15 1.33 -0.17 0.00 0.00 175.17 176.66 1z3r n VAL 57 N 5.00 0.34 -2.14 1.11 0.24 0.86 -4.93 118.33 118.82 1z3r n VAL 57 Ca 0.16 -0.67 -0.43 0.00 -2.04 0.00 0.00 64.34 61.36 1z3r n VAL 57 Cb 0.42 1.06 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.27 3.25 -0.60 2.33 0.00 -1.26 -4.59 121.76 119.63 1z3r s ALA 58 Ca 0.25 0.42 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 1z3r s ALA 58 Cb 0.15 -3.86 0.08 0.00 0.00 0.00 0.00 23.12 19.50 1z3r s ALA 58 CO 0.22 -1.98 0.81 1.41 0.00 0.00 0.00 175.76 176.22 1z3r s MET 59 N 4.69 3.10 0.18 0.00 1.75 -0.03 -4.92 119.30 124.07 1z3r s MET 59 Ca 0.70 -1.01 -0.32 0.00 -1.25 0.00 0.00 55.69 53.82 1z3r s MET 59 Cb -0.24 -4.21 -0.11 0.00 2.84 0.00 0.00 34.83 33.11 1z3r s MET 59 CO 0.29 -1.60 1.64 -0.51 -0.65 0.00 0.00 175.02 174.20 1z3r s LEU 60 N 3.28 4.37 -0.18 4.11 1.43 -1.26 0.02 118.68 130.45 1z3r s LEU 60 Ca 0.17 2.73 -0.04 0.00 -1.03 0.00 0.00 54.13 55.96 1z3r s LEU 60 Cb -0.20 -3.60 -0.22 0.00 0.03 0.00 0.00 46.19 42.20 1z3r s LEU 60 CO 0.09 -0.90 0.14 -0.38 0.23 0.00 0.00 176.35 175.53 1z3r n ILE 61 N 4.00 1.67 -2.37 -0.59 2.08 0.57 -4.89 119.36 119.83 1z3r n ILE 61 Ca 0.15 -0.60 -0.27 0.00 0.56 0.00 0.00 62.75 62.59 1z3r n ILE 61 Cb 0.37 -1.64 0.03 0.00 -0.75 0.00 0.00 39.64 37.64 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 -2.54 3.92 1.14 1.39 -1.32 -0.81 -5.01 115.64 112.42 1z3r s THR 62 Ca -0.27 0.12 -0.13 0.00 -1.21 0.00 0.00 61.69 60.20 1z3r s THR 62 Cb 0.08 -3.55 0.24 0.00 -1.51 0.00 0.00 72.50 67.76 1z3r s THR 62 CO 0.70 -0.59 0.86 -2.65 -2.21 0.00 0.00 174.62 170.73 1z3r n PRO 63 N -2.57 -2.13 -1.03 7.08 -0.02 -1.26 -4.82 135.00 130.26 1z3r n PRO 63 Ca 0.04 -0.59 -0.32 0.00 -2.02 0.00 0.00 63.50 60.61 1z3r n PRO 63 Cb 0.57 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 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 -4.31 0.27 -4.79 2.55 5.15 -1.26 -4.85 115.26 108.02 1z3r n ASN 64 Ca 0.03 0.20 -0.36 0.00 -0.60 0.00 0.00 54.58 53.85 1z3r n ASN 64 Cb 0.55 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 39.09 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 5.96 4.50 0.10 1.20 0.04 -1.26 -4.48 135.00 141.06 1z3r s PRO 65 Ca 0.94 1.31 0.03 0.00 0.04 0.00 0.00 61.00 63.32 1z3r s PRO 65 Cb -0.93 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 1z3r s PRO 65 CO 0.37 0.20 -0.09 0.95 0.04 0.00 0.00 177.00 178.48 1z3r s THR 66 N -1.71 0.82 -0.12 1.26 -4.23 -1.26 -1.06 115.64 109.35 1z3r s THR 66 Ca 0.53 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1z3r s THR 66 Cb -0.17 -1.43 -0.00 0.00 1.34 0.00 0.00 72.50 72.24 1z3r s THR 66 CO 0.22 -0.67 -0.21 -0.32 -0.54 0.00 0.00 174.62 173.11 1z3r s MET 67 N -3.10 3.13 0.28 3.99 1.75 0.37 -0.48 119.30 125.24 1z3r s MET 67 Ca 0.07 -0.82 0.02 0.00 -1.25 0.00 0.00 55.69 53.71 1z3r s MET 67 Cb -0.00 -2.42 -0.04 0.00 2.84 0.00 0.00 34.83 35.20 1z3r s MET 67 CO -0.02 0.14 0.13 -1.21 -0.65 0.00 0.00 175.02 173.41 1z3r s GLU 68 N 0.47 1.49 0.00 4.11 2.02 -1.22 -1.24 118.70 124.33 1z3r s GLU 68 Ca -0.14 -1.83 0.24 0.00 0.02 0.00 0.00 54.97 53.27 1z3r s GLU 68 Cb -0.17 -0.12 0.36 0.00 0.10 0.00 0.00 34.13 34.30 1z3r s GLU 68 CO 0.06 -0.39 1.33 0.27 0.02 0.00 0.00 175.26 176.54 1z3r n ASN 69 N -0.70 1.78 -2.59 -0.19 0.23 -1.26 -4.46 115.26 108.07 1z3r n ASN 69 Ca 0.01 -1.37 -0.09 0.00 -0.53 0.00 0.00 54.58 52.59 1z3r n ASN 69 Cb 0.65 0.27 0.04 0.00 -2.08 0.00 0.00 39.78 38.66 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 -0.04 2.59 0.00 0.53 0.23 -1.26 -5.06 115.26 112.25 1z3r n ASN 70 Ca 0.12 -2.67 0.00 0.00 -0.53 0.00 0.00 54.58 51.50 1z3r n ASN 70 Cb 0.44 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 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 -0.54 0.50 0.00 4.83 0.00 -1.26 0.16 105.19 108.88 1z3r n GLY 71 Ca 0.19 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.47 1.81 -0.02 0.00 -1.26 -3.41 105.19 101.83 1z3r n GLY 72 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.50 1.73 3.85 -0.02 0.00 0.37 -4.83 105.19 105.80 1z3r n GLY 73 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.65 3.63 -0.09 1.61 5.36 -1.26 -0.64 117.98 123.94 1z3r s PHE 74 Ca 0.00 0.98 -0.09 0.00 -0.96 0.00 0.00 56.93 56.86 1z3r s PHE 74 Cb 0.00 -2.30 0.02 0.00 -0.34 0.00 0.00 43.02 40.40 1z3r s PHE 74 CO 0.00 0.50 0.25 0.42 -1.46 0.00 0.00 175.22 174.93 1z3r s ILE 75 N -1.36 0.00 -0.02 3.12 1.01 -0.62 -4.69 121.20 118.65 1z3r s ILE 75 Ca 0.34 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1z3r s ILE 75 Cb -0.15 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 41.96 1z3r s ILE 75 CO 0.18 -0.02 -0.05 -0.70 0.00 0.00 0.00 174.94 174.36 1z3r s GLU 76 N 0.05 0.55 0.17 2.79 2.12 -1.26 -1.23 118.70 121.89 1z3r s GLU 76 Ca -0.01 -0.14 -0.06 0.00 0.36 0.00 0.00 54.97 55.13 1z3r s GLU 76 Cb -0.02 -0.57 -0.02 0.00 0.26 0.00 0.00 34.13 33.78 1z3r s GLU 76 CO 0.00 0.03 0.22 0.00 -0.54 0.00 0.00 175.26 174.97 1z3r s MET 77 N 0.34 1.14 0.08 4.30 0.23 -0.30 -0.32 119.30 124.77 1z3r s MET 77 Ca -0.04 -1.32 0.08 0.00 -1.03 0.00 0.00 55.69 53.38 1z3r s MET 77 Cb -0.08 0.33 -0.03 0.00 -1.53 0.00 0.00 34.83 33.52 1z3r s MET 77 CO -0.00 -0.39 -0.21 -1.14 -2.03 0.00 0.00 175.02 171.24 1z3r s GLN 78 N -4.02 1.24 0.06 3.16 0.74 0.10 0.20 119.66 121.14 1z3r s GLN 78 Ca 0.23 -1.10 -0.04 0.00 0.05 0.00 0.00 55.36 54.50 1z3r s GLN 78 Cb 0.05 -1.47 -0.02 0.00 1.10 0.00 0.00 33.01 32.66 1z3r s GLN 78 CO 0.03 0.36 0.05 -0.51 -0.55 0.00 0.00 175.29 174.66 1z3r s LEU 79 N -1.66 2.09 0.09 3.68 1.02 -1.26 -0.85 118.68 121.78 1z3r s LEU 79 Ca 0.07 -0.81 -0.31 0.00 0.02 0.00 0.00 54.13 53.11 1z3r s LEU 79 Cb -0.10 0.48 -0.07 0.00 0.02 0.00 0.00 46.19 46.52 1z3r s LEU 79 CO 0.03 -0.60 1.35 -2.16 0.02 0.00 0.00 176.35 174.99 1z3r s PRO 80 N -3.56 4.34 -0.03 1.29 0.04 -1.26 -4.92 135.00 130.89 1z3r s PRO 80 Ca 0.03 1.99 -0.38 0.00 0.04 0.00 0.00 61.00 62.68 1z3r s PRO 80 Cb 0.05 -3.32 -0.17 0.00 0.04 0.00 0.00 34.50 31.10 1z3r s PRO 80 CO -0.09 -0.42 1.41 -2.30 0.04 0.00 0.00 177.00 175.64 1z3r n PRO 81 N 4.17 0.95 0.00 0.56 -0.02 -1.26 -4.72 135.00 134.69 1z3r n PRO 81 Ca 0.11 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1z3r n PRO 81 Cb 0.43 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.83 1.22 3.65 -1.23 0.00 -1.03 -4.95 105.19 105.67 1z3r n GLY 82 Ca 0.21 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 6.80 -0.09 1.61 2.15 -1.26 -0.47 116.67 125.41 1z3r s ASP 83 Ca 0.00 1.54 0.01 0.00 0.43 0.00 0.00 52.55 54.53 1z3r s ASP 83 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 1z3r s ASP 83 CO 0.00 -0.91 -0.12 0.20 -0.17 0.00 0.00 175.17 174.17 1z3r s ASN 84 N 2.46 2.07 -0.53 -0.34 0.01 0.21 -1.25 114.94 117.57 1z3r s ASN 84 Ca 0.57 -0.34 -0.23 0.00 -0.71 0.00 0.00 52.86 52.15 1z3r s ASN 84 Cb -0.21 -0.91 0.04 0.00 0.41 0.00 0.00 41.25 40.59 1z3r s ASN 84 CO 0.19 -0.01 0.86 -0.63 -1.51 0.00 0.00 177.10 176.00 1z3r s ILE 85 N 1.00 4.52 -0.32 0.60 1.09 0.46 -0.50 121.20 128.05 1z3r s ILE 85 Ca -0.08 0.11 -0.17 0.00 -1.10 0.00 0.00 60.65 59.41 1z3r s ILE 85 Cb -0.15 -4.47 -0.01 0.00 -1.06 0.00 0.00 42.46 36.77 1z3r s ILE 85 CO -0.01 -1.02 0.47 -0.63 -0.10 0.00 0.00 174.94 173.65 1z3r s ILE 86 N 3.60 5.07 0.01 2.92 1.01 -0.24 -0.42 121.20 133.15 1z3r s ILE 86 Ca 0.27 0.41 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 1z3r s ILE 86 Cb -0.14 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1z3r s ILE 86 CO 0.18 -0.09 0.12 -0.31 0.00 0.00 0.00 174.94 174.84 1z3r s TYR 87 N 2.27 3.38 -0.48 3.97 2.02 0.59 -0.60 117.35 128.50 1z3r s TYR 87 Ca 0.17 0.24 0.03 0.00 -0.37 0.00 0.00 57.07 57.14 1z3r s TYR 87 Cb -0.16 -1.75 0.14 0.00 -0.40 0.00 0.00 41.96 39.79 1z3r s TYR 87 CO 0.12 0.58 0.27 0.08 -1.57 0.00 0.00 175.55 175.03 1z3r s VAL 88 N -1.29 1.75 0.00 0.71 1.01 0.38 -1.92 120.40 121.04 1z3r s VAL 88 Ca 0.26 -2.87 0.00 0.00 0.00 0.00 0.00 61.98 59.37 1z3r s VAL 88 Cb -0.12 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1z3r s VAL 88 CO 0.18 -0.90 0.00 0.61 0.00 0.00 0.00 175.10 174.99 1z3r n GLY 89 N 3.28 2.01 0.01 4.51 0.00 0.09 -3.11 105.19 111.98 1z3r n GLY 89 Ca 0.10 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 8.35 3.14 -1.81 1.61 4.07 0.47 -4.95 120.64 131.51 1z3r n GLU 90 Ca 0.00 -0.03 -0.42 0.00 -0.06 0.00 0.00 57.16 56.65 1z3r n GLU 90 Cb 0.00 -1.05 -0.03 0.00 -0.06 0.00 0.00 31.44 30.30 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 -2.51 4.38 0.39 4.31 2.96 -1.18 -5.01 118.68 122.03 1z3r s LEU 91 Ca 0.05 2.62 0.07 0.00 -0.22 0.00 0.00 54.13 56.65 1z3r s LEU 91 Cb 0.09 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 1z3r s LEU 91 CO 0.47 -0.95 -0.01 -1.59 -1.32 0.00 0.00 176.35 172.95 1z3r s LYS 92 N 2.80 1.92 0.05 1.98 -2.85 -1.26 -0.47 119.74 121.90 1z3r s LYS 92 Ca 0.78 -2.07 -0.07 0.00 -1.00 0.00 0.00 55.97 53.61 1z3r s LYS 92 Cb -0.43 -1.61 -0.01 0.00 -2.06 0.00 0.00 37.83 33.72 1z3r s LYS 92 CO 0.35 -0.02 0.14 -1.58 0.10 0.00 0.00 175.35 174.34 1z3r s HIS 93 N -2.72 0.16 -0.50 1.78 2.46 0.23 -4.97 115.29 111.74 1z3r s HIS 93 Ca 0.35 -0.49 -0.18 0.00 0.47 0.00 0.00 55.06 55.21 1z3r s HIS 93 Cb 0.09 -0.10 0.07 0.00 -0.13 0.00 0.00 32.58 32.50 1z3r s HIS 93 CO 0.18 -0.43 0.54 -1.14 -2.47 0.00 0.00 174.74 171.42 1z3r s GLN 94 N -2.99 3.07 -0.39 2.88 2.00 -1.26 -1.08 119.66 121.90 1z3r s GLN 94 Ca -0.02 -1.08 -0.05 0.00 -2.00 0.00 0.00 55.36 52.21 1z3r s GLN 94 Cb 0.01 -4.12 0.08 0.00 0.80 0.00 0.00 33.01 29.78 1z3r s GLN 94 CO -0.06 -1.16 0.18 -0.46 -0.50 0.00 0.00 175.29 173.29 1z3r s TRP 95 N 2.25 3.41 -0.97 1.67 -0.11 0.35 -4.98 118.94 120.56 1z3r s TRP 95 Ca 0.11 -1.91 -0.24 0.00 1.22 0.00 0.00 56.10 55.28 1z3r s TRP 95 Cb -0.21 -2.84 0.03 0.00 -1.50 0.00 0.00 33.47 28.95 1z3r s TRP 95 CO 0.10 -0.88 1.51 -0.06 -4.62 0.00 0.00 176.95 173.00 1z3r s PHE 96 N 1.29 2.40 0.40 5.86 0.08 -1.26 -0.62 117.98 126.12 1z3r s PHE 96 Ca 0.03 -0.54 -0.25 0.00 0.12 0.00 0.00 56.93 56.28 1z3r s PHE 96 Cb -0.22 -4.60 -0.08 0.00 -0.57 0.00 0.00 43.02 37.55 1z3r s PHE 96 CO -0.01 -1.93 1.19 -1.14 -0.10 0.00 0.00 175.22 173.23 1z3r s GLN 97 N 5.36 4.05 0.07 0.44 2.00 0.38 -4.87 119.66 127.08 1z3r s GLN 97 Ca 0.49 1.89 0.07 0.00 -2.00 0.00 0.00 55.36 55.80 1z3r s GLN 97 Cb -0.02 -2.69 -0.03 0.00 0.80 0.00 0.00 33.01 31.07 1z3r s GLN 97 CO -0.06 -0.34 -0.18 -1.59 -0.50 0.00 0.00 175.29 172.62 1z3r s LYS 98 N -2.28 1.09 0.00 1.67 0.00 -1.26 -2.47 119.74 116.49 1z3r s LYS 98 Ca 0.57 -0.96 0.00 0.00 0.00 0.00 0.00 55.97 55.57 1z3r s LYS 98 Cb -0.32 -1.20 0.00 0.00 0.00 0.00 0.00 37.83 36.31 1z3r s LYS 98 CO 0.40 0.29 0.00 0.41 0.00 0.00 0.00 175.35 176.45