#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zr4 s LEU 3 N 0.00 4.46 0.04 0.00 1.02 -1.26 -1.52 118.68 121.42 1zr4 s LEU 3 Ca 0.00 2.12 0.01 0.00 0.02 0.00 0.00 54.13 56.27 1zr4 s LEU 3 Cb 0.00 -3.78 -0.03 0.00 0.02 0.00 0.00 46.19 42.40 1zr4 s LEU 3 CO 0.00 -0.16 -0.05 -0.36 0.02 0.00 0.00 176.35 175.81 1zr4 s PHE 4 N -1.32 0.47 0.34 0.29 0.40 -0.15 -4.85 117.98 113.16 1zr4 s PHE 4 Ca 0.47 -0.63 0.09 0.00 -0.60 0.00 0.00 56.93 56.26 1zr4 s PHE 4 Cb -0.27 -0.31 -0.05 0.00 0.51 0.00 0.00 43.02 42.90 1zr4 s PHE 4 CO 0.35 -0.18 0.00 0.20 0.70 0.00 0.00 175.22 176.28 1zr4 s GLY 5 N -1.84 2.08 -0.24 4.36 0.00 -0.82 0.18 107.32 111.03 1zr4 s GLY 5 Ca -0.09 -1.97 -0.12 0.00 0.00 0.00 0.00 44.72 42.54 1zr4 s GLY 5 CO -0.02 -1.91 0.57 -0.47 0.00 0.00 0.00 173.10 171.27 1zr4 s TYR 6 N -2.53 -0.96 0.09 1.90 5.04 0.31 -2.42 117.35 118.79 1zr4 s TYR 6 Ca 0.34 1.87 0.03 0.00 -2.44 0.00 0.00 57.07 56.88 1zr4 s TYR 6 Cb 0.00 0.53 -0.04 0.00 0.35 0.00 0.00 41.96 42.80 1zr4 s TYR 6 CO 0.19 -0.50 -0.09 0.00 -1.34 0.00 0.00 175.55 173.81 1zr4 s ALA 7 N 1.93 1.05 0.05 3.97 0.00 -0.90 -4.35 121.76 123.51 1zr4 s ALA 7 Ca -0.08 -1.20 -0.20 0.00 0.00 0.00 0.00 51.96 50.48 1zr4 s ALA 7 Cb -0.08 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.14 1zr4 s ALA 7 CO -0.17 -0.08 0.47 0.50 0.00 0.00 0.00 175.76 176.48 1zr4 s ARG 8 N -2.95 0.99 -0.07 0.00 3.52 -1.26 -2.91 118.95 116.27 1zr4 s ARG 8 Ca 0.06 -0.31 -0.12 0.00 -0.13 0.00 0.00 55.73 55.23 1zr4 s ARG 8 Cb -0.02 0.45 0.02 0.00 -1.56 0.00 0.00 34.95 33.84 1zr4 s ARG 8 CO -0.01 -0.35 0.29 0.54 -0.81 0.00 0.00 175.30 174.96 1zr4 s VAL 9 N -2.53 0.03 0.00 7.11 0.11 -1.18 -4.91 120.40 119.03 1zr4 s VAL 9 Ca -0.05 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1zr4 s VAL 9 Cb -0.01 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1zr4 s VAL 9 CO -0.03 -0.12 0.00 -1.54 -3.33 0.00 0.00 175.10 170.09 1zr4 n SER 10 N 2.27 0.03 -3.89 3.54 3.41 -1.26 -1.12 113.62 116.60 1zr4 n SER 10 Ca -0.16 -0.25 -0.18 0.00 -0.26 0.00 0.00 58.87 58.02 1zr4 n SER 10 Cb 0.57 0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 64.93 1zr4 n SER 10 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1zr4 s THR 11 N -0.50 0.22 0.48 6.66 2.01 -1.26 -4.92 115.64 118.33 1zr4 s THR 11 Ca 0.00 -2.00 0.37 0.00 0.31 0.00 0.00 61.69 60.37 1zr4 s THR 11 Cb 0.00 -2.50 0.57 0.00 0.01 0.00 0.00 72.50 70.58 1zr4 s THR 11 CO 0.00 0.00 1.60 0.28 -0.69 0.00 0.00 174.62 175.81 1zr4 h SER 12 N 2.24 0.15 0.00 3.53 0.02 -2.00 -3.08 113.55 114.41 1zr4 h SER 12 Ca -0.32 0.10 -0.47 0.00 -0.84 0.00 0.00 61.79 60.26 1zr4 h SER 12 Cb 1.25 0.10 0.03 0.00 0.14 0.00 0.00 62.40 63.91 1zr4 h SER 12 CO 0.49 -0.15 2.44 1.67 -1.14 0.00 0.00 176.83 180.13 1zr4 n GLN 13 N -4.48 1.79 -0.80 3.45 7.27 -1.26 -4.75 117.38 118.60 1zr4 n GLN 13 Ca 0.40 -1.57 -0.09 0.00 0.07 0.00 0.00 57.00 55.82 1zr4 n GLN 13 Cb 1.64 -2.61 -0.12 0.00 2.41 0.00 0.00 30.24 31.56 1zr4 n GLN 13 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1zr4 n GLN 14 N 5.27 1.60 -0.18 3.69 6.02 -1.17 -4.54 117.38 128.08 1zr4 n GLN 14 Ca 0.45 -0.73 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 1zr4 n GLN 14 Cb 0.23 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.70 1zr4 n GLN 14 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1zr4 n SER 15 N 2.39 3.25 -0.38 1.08 3.41 -1.26 -4.17 113.62 117.93 1zr4 n SER 15 Ca 0.31 -1.84 0.37 0.00 -0.26 0.00 0.00 58.87 57.46 1zr4 n SER 15 Cb 0.74 -0.63 0.59 0.00 -0.26 0.00 0.00 64.21 64.65 1zr4 n SER 15 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1zr4 h LEU 16 N 2.14 0.00 -0.36 1.04 5.85 -1.91 0.54 115.31 122.60 1zr4 h LEU 16 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1zr4 h LEU 16 Cb 0.79 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1zr4 h LEU 16 CO 0.00 0.00 -0.03 0.44 -0.34 0.00 0.00 178.44 178.51 1zr4 h ASP 17 N 0.00 0.65 -0.16 1.25 5.19 -1.98 0.21 116.42 121.58 1zr4 h ASP 17 Ca 0.64 -0.33 0.01 0.00 -0.62 0.00 0.00 57.03 56.74 1zr4 h ASP 17 Cb 3.18 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 42.49 1zr4 h ASP 17 CO -0.01 0.83 0.07 0.40 -3.12 0.00 0.00 179.24 177.41 1zr4 h ILE 18 N 0.47 0.99 0.32 0.35 2.04 -0.28 0.34 117.51 121.74 1zr4 h ILE 18 Ca 0.10 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1zr4 h ILE 18 Cb 0.51 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1zr4 h ILE 18 CO 0.02 0.03 -0.24 1.56 0.00 0.00 0.00 178.15 179.53 1zr4 h GLN 19 N 0.17 -0.53 -0.31 2.37 4.20 -1.45 0.19 115.11 119.75 1zr4 h GLN 19 Ca 0.07 0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1zr4 h GLN 19 Cb 0.02 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1zr4 h GLN 19 CO -0.05 -0.35 0.05 0.28 -0.67 0.00 0.00 178.83 178.08 1zr4 h VAL 20 N -0.55 1.16 -0.07 -0.54 2.07 -0.43 -0.70 116.25 117.19 1zr4 h VAL 20 Ca -0.02 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1zr4 h VAL 20 Cb 0.48 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1zr4 h VAL 20 CO -0.00 0.21 -0.08 0.03 0.02 0.00 0.00 177.57 177.75 1zr4 h ARG 21 N 0.45 0.18 -0.84 1.57 3.08 -0.16 -2.62 114.38 116.04 1zr4 h ARG 21 Ca 0.10 -0.10 0.13 0.00 0.07 0.00 0.00 59.98 60.19 1zr4 h ARG 21 Cb 0.22 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 1zr4 h ARG 21 CO 0.00 0.62 0.45 0.00 -1.07 0.00 0.00 179.97 179.98 1zr4 h ALA 22 N 0.55 1.24 -0.52 0.04 0.00 -0.11 -0.07 119.26 120.39 1zr4 h ALA 22 Ca 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1zr4 h ALA 22 Cb 0.60 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1zr4 h ALA 22 CO 0.02 -0.02 0.23 -0.07 0.00 0.00 0.00 179.25 179.41 1zr4 h LEU 23 N 0.69 0.69 -0.33 0.00 3.38 -1.17 -2.00 115.31 116.56 1zr4 h LEU 23 Ca 0.44 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.27 1zr4 h LEU 23 Cb 0.55 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1zr4 h LEU 23 CO -0.32 0.65 0.20 0.11 0.09 0.00 0.00 178.44 179.17 1zr4 h LYS 24 N 0.69 0.40 -0.75 1.13 1.57 -0.88 -1.40 116.57 117.33 1zr4 h LYS 24 Ca 0.18 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.05 1zr4 h LYS 24 Cb 0.15 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1zr4 h LYS 24 CO -0.02 0.26 0.50 -0.44 -0.57 0.00 0.00 179.45 179.18 1zr4 h ASP 25 N 0.41 0.51 0.83 0.86 3.45 -0.91 0.55 116.42 122.13 1zr4 h ASP 25 Ca 0.13 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1zr4 h ASP 25 Cb -0.01 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 1zr4 h ASP 25 CO -0.05 0.28 0.00 0.00 -1.57 0.00 0.00 179.24 177.90 1zr4 n ALA 26 N -2.48 2.09 0.00 3.45 0.00 -0.56 -4.90 120.51 118.11 1zr4 n ALA 26 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1zr4 n ALA 26 Cb 0.42 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1zr4 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zr4 n GLY 27 N 0.96 1.24 3.70 0.00 0.00 0.19 -5.09 105.19 106.18 1zr4 n GLY 27 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1zr4 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zr4 s VAL 28 N -2.00 5.00 0.19 1.61 1.01 -1.06 -5.01 120.40 120.14 1zr4 s VAL 28 Ca 0.00 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1zr4 s VAL 28 Cb 0.00 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1zr4 s VAL 28 CO 0.00 0.19 0.95 -0.54 0.00 0.00 0.00 175.10 175.70 1zr4 s LYS 29 N 1.18 4.80 0.27 2.72 -0.14 -1.26 -4.23 119.74 123.09 1zr4 s LYS 29 Ca 0.38 1.48 -0.06 0.00 -1.36 0.00 0.00 55.97 56.40 1zr4 s LYS 29 Cb -0.18 -3.31 0.49 0.00 -1.68 0.00 0.00 37.83 33.15 1zr4 s LYS 29 CO 0.17 0.41 1.58 0.00 -0.76 0.00 0.00 175.35 176.75 1zr4 h ALA 30 N 4.66 0.77 -0.31 5.17 0.00 -1.95 0.12 119.26 127.71 1zr4 h ALA 30 Ca -0.44 0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1zr4 h ALA 30 Cb 1.20 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 1zr4 h ALA 30 CO 0.69 -0.44 0.20 -1.71 0.00 0.00 0.00 179.25 178.00 1zr4 n ASN 31 N -5.52 0.05 -0.49 0.00 5.15 -1.26 -1.24 115.26 111.94 1zr4 n ASN 31 Ca 0.16 0.31 0.03 0.00 -0.60 0.00 0.00 54.58 54.48 1zr4 n ASN 31 Cb 0.53 -0.15 0.04 0.00 -0.53 0.00 0.00 39.78 39.67 1zr4 n ASN 31 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1zr4 n ARG 32 N -3.06 0.34 -3.15 1.20 1.74 0.40 -5.04 116.66 109.09 1zr4 n ARG 32 Ca 0.09 -1.51 -0.39 0.00 -0.77 0.00 0.00 57.85 55.27 1zr4 n ARG 32 Cb 0.36 -0.72 -0.05 0.00 -1.02 0.00 0.00 32.46 31.03 1zr4 n ARG 32 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1zr4 s ILE 33 N -0.75 4.92 -0.05 0.55 1.01 -0.37 -1.95 121.20 124.56 1zr4 s ILE 33 Ca 0.11 1.32 0.05 0.00 0.00 0.00 0.00 60.65 62.13 1zr4 s ILE 33 Cb 0.11 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1zr4 s ILE 33 CO -0.01 0.38 -0.22 -0.36 0.00 0.00 0.00 174.94 174.73 1zr4 s PHE 34 N 0.05 2.15 0.03 3.97 0.40 -1.01 -4.93 117.98 118.64 1zr4 s PHE 34 Ca 0.33 -0.65 0.07 0.00 -0.60 0.00 0.00 56.93 56.08 1zr4 s PHE 34 Cb -0.18 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 1zr4 s PHE 34 CO 0.18 -0.21 -0.20 0.99 0.70 0.00 0.00 175.22 176.68 1zr4 s THR 35 N -0.05 1.59 0.02 0.64 2.01 -1.26 -2.12 115.64 116.46 1zr4 s THR 35 Ca -0.05 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 60.85 1zr4 s THR 35 Cb -0.13 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 1zr4 s THR 35 CO 0.03 0.23 -0.04 -1.81 -0.69 0.00 0.00 174.62 172.34 1zr4 s ASP 36 N -1.05 0.40 -0.22 3.53 1.01 -1.14 -4.42 116.67 114.78 1zr4 s ASP 36 Ca 0.07 -0.35 -0.04 0.00 0.71 0.00 0.00 52.55 52.94 1zr4 s ASP 36 Cb -0.08 0.04 0.09 0.00 1.01 0.00 0.00 42.92 43.97 1zr4 s ASP 36 CO 0.01 -0.16 0.17 -1.59 0.21 0.00 0.00 175.17 173.82 1zr4 s LYS 37 N -0.99 0.17 -0.17 8.23 -2.85 -1.26 -3.08 119.74 119.78 1zr4 s LYS 37 Ca -0.09 -0.04 -0.37 0.00 -1.00 0.00 0.00 55.97 54.47 1zr4 s LYS 37 Cb -0.07 -1.33 -0.14 0.00 -2.06 0.00 0.00 37.83 34.23 1zr4 s LYS 37 CO -0.00 -0.76 1.78 0.00 0.10 0.00 0.00 175.35 176.47 1zr4 n ALA 38 N 5.30 0.26 1.18 0.59 0.00 -0.27 -4.84 120.51 122.73 1zr4 n ALA 38 Ca -0.06 0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.86 1zr4 n ALA 38 Cb 0.48 -2.34 0.26 0.00 0.00 0.00 0.00 19.45 17.85 1zr4 n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1zr4 n SER 39 N 5.71 1.50 0.00 0.00 2.88 -1.26 -4.82 113.62 117.63 1zr4 n SER 39 Ca 0.24 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.57 1zr4 n SER 39 Cb 0.20 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1zr4 n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1zr4 n GLY 40 N 1.35 0.77 3.98 0.46 0.00 -1.26 -5.10 105.19 105.40 1zr4 n GLY 40 Ca 0.12 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1zr4 n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zr4 s SER 41 N -2.29 4.29 0.00 1.61 0.01 -1.26 -5.05 113.70 111.01 1zr4 s SER 41 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1zr4 s SER 41 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1zr4 s SER 41 CO 0.00 -1.90 0.71 -0.24 0.41 0.00 0.00 173.24 172.22 1zr4 n SER 42 N -2.91 0.00 -2.71 2.44 2.88 -1.26 -4.44 113.62 107.62 1zr4 n SER 42 Ca 0.14 0.71 -0.08 0.00 -1.33 0.00 0.00 58.87 58.32 1zr4 n SER 42 Cb 0.60 -0.21 0.10 0.00 -0.75 0.00 0.00 64.21 63.95 1zr4 n SER 42 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1zr4 n SER 43 N -1.74 -1.49 -3.05 -3.46 3.41 -1.26 -5.01 113.62 101.03 1zr4 n SER 43 Ca 0.00 -2.70 -0.20 0.00 -0.26 0.00 0.00 58.87 55.70 1zr4 n SER 43 Cb 0.00 0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 1zr4 n SER 43 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1zr4 n ASP 44 N -0.36 4.81 -3.59 4.04 8.00 -1.26 -4.53 116.55 123.66 1zr4 n ASP 44 Ca 0.01 -2.29 -0.41 0.00 0.71 0.00 0.00 54.79 52.81 1zr4 n ASP 44 Cb 0.82 -1.07 0.01 0.00 -0.02 0.00 0.00 41.12 40.85 1zr4 n ASP 44 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1zr4 n ARG 45 N 3.98 4.94 0.21 -1.24 1.85 -1.26 -4.76 116.66 120.37 1zr4 n ARG 45 Ca 0.43 -4.05 0.05 0.00 -1.00 0.00 0.00 57.85 53.28 1zr4 n ARG 45 Cb 0.19 -2.57 0.45 0.00 -1.05 0.00 0.00 32.46 29.48 1zr4 n ARG 45 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1zr4 h LYS 46 N 4.51 0.00 -0.62 2.89 1.79 -1.94 -1.59 116.57 121.61 1zr4 h LYS 46 Ca 0.60 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 59.02 1zr4 h LYS 46 Cb 0.34 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 1zr4 h LYS 46 CO 1.35 0.28 0.19 0.78 -1.08 0.00 0.00 179.45 180.97 1zr4 h GLY 47 N 0.98 1.04 0.72 3.86 0.00 -1.86 -1.49 103.07 106.31 1zr4 h GLY 47 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 1zr4 h GLY 47 CO 0.04 0.57 -0.22 -2.00 0.00 0.00 0.00 176.54 174.93 1zr4 h LEU 48 N 0.89 -0.52 -0.99 3.11 5.85 -1.74 -2.20 115.31 119.71 1zr4 h LEU 48 Ca 0.20 -0.09 0.32 0.00 0.84 0.00 0.00 57.88 59.15 1zr4 h LEU 48 Cb 0.29 0.13 -0.18 0.00 0.37 0.00 0.00 40.66 41.28 1zr4 h LEU 48 CO -0.01 -0.17 0.22 0.44 -0.34 0.00 0.00 178.44 178.58 1zr4 h ASP 49 N -0.90 -0.18 -0.09 1.25 3.32 -1.23 0.18 116.42 118.78 1zr4 h ASP 49 Ca -0.06 0.27 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 1zr4 h ASP 49 Cb 0.58 0.40 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1zr4 h ASP 49 CO 0.10 -0.38 -0.17 0.25 -1.72 0.00 0.00 179.24 177.32 1zr4 h LEU 50 N 0.01 0.31 -1.61 1.55 7.12 -1.21 -3.19 115.31 118.28 1zr4 h LEU 50 Ca 0.69 -0.55 0.18 0.00 0.13 0.00 0.00 57.88 58.32 1zr4 h LEU 50 Cb 1.60 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 41.59 1zr4 h LEU 50 CO -0.86 0.81 0.54 0.25 -0.13 0.00 0.00 178.44 179.04 1zr4 h LEU 51 N -0.18 0.35 -0.03 2.25 5.85 0.01 0.25 115.31 123.81 1zr4 h LEU 51 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1zr4 h LEU 51 Cb 0.75 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1zr4 h LEU 51 CO 0.04 0.16 -0.02 -2.11 -0.34 0.00 0.00 178.44 176.17 1zr4 n ARG 52 N -4.47 0.39 0.01 1.25 1.85 -0.93 -2.57 116.66 112.20 1zr4 n ARG 52 Ca 0.16 -0.03 -0.18 0.00 -1.00 0.00 0.00 57.85 56.80 1zr4 n ARG 52 Cb 0.62 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.39 1zr4 n ARG 52 CO 0.00 0.00 0.00 1.98 -0.01 0.00 0.00 177.63 179.60 1zr4 h MET 53 N 0.07 0.20 -0.92 2.89 4.05 -0.56 -3.37 114.93 117.28 1zr4 h MET 53 Ca 0.00 -0.33 -0.02 0.00 -0.28 0.00 0.00 59.70 59.07 1zr4 h MET 53 Cb 0.33 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1zr4 h MET 53 CO 0.00 1.16 0.02 1.17 0.23 0.00 0.00 176.91 179.49 1zr4 n LYS 54 N -4.28 1.77 -4.73 0.39 4.81 -1.05 -4.85 118.16 110.22 1zr4 n LYS 54 Ca -0.13 -0.68 -0.32 0.00 -0.87 0.00 0.00 58.31 56.31 1zr4 n LYS 54 Cb 0.71 -1.61 -0.13 0.00 0.02 0.00 0.00 35.03 34.03 1zr4 n LYS 54 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1zr4 s VAL 55 N -1.28 3.00 0.22 3.15 -7.23 -1.23 -5.08 120.40 111.94 1zr4 s VAL 55 Ca 0.12 -0.96 0.04 0.00 -1.81 0.00 0.00 61.98 59.37 1zr4 s VAL 55 Cb 0.09 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1zr4 s VAL 55 CO 0.03 0.44 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.69 1zr4 s LYS 56 N -1.17 1.32 -0.06 4.82 1.02 -1.26 -5.06 119.74 119.35 1zr4 s LYS 56 Ca 0.14 -1.65 -0.39 0.00 0.02 0.00 0.00 55.97 54.08 1zr4 s LYS 56 Cb -0.11 -0.71 -0.18 0.00 -0.52 0.00 0.00 37.83 36.31 1zr4 s LYS 56 CO 0.04 -0.04 1.35 -1.91 -0.92 0.00 0.00 175.35 173.87 1zr4 n GLU 57 N -0.40 0.67 0.00 1.68 2.13 -1.24 -1.15 120.64 122.33 1zr4 n GLU 57 Ca -0.06 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1zr4 n GLU 57 Cb 0.63 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1zr4 n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1zr4 n GLY 58 N 2.62 3.00 3.78 8.31 0.00 -0.01 -4.95 105.19 117.95 1zr4 n GLY 58 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1zr4 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zr4 s ASP 59 N -1.14 5.43 -0.10 1.61 1.01 -0.30 -3.70 116.67 119.47 1zr4 s ASP 59 Ca 0.00 2.00 -0.00 0.00 0.71 0.00 0.00 52.55 55.26 1zr4 s ASP 59 Cb 0.00 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.40 1zr4 s ASP 59 CO 0.00 -1.41 -0.06 -0.69 0.21 0.00 0.00 175.17 173.22 1zr4 s VAL 60 N -2.21 0.85 0.02 -1.27 1.01 -0.57 -3.04 120.40 115.17 1zr4 s VAL 60 Ca 0.68 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 1zr4 s VAL 60 Cb -0.20 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1zr4 s VAL 60 CO 0.36 0.33 0.32 -0.63 0.00 0.00 0.00 175.10 175.49 1zr4 s ILE 61 N 1.68 5.21 0.06 2.22 1.01 -0.54 -0.97 121.20 129.88 1zr4 s ILE 61 Ca 0.03 0.37 0.07 0.00 0.00 0.00 0.00 60.65 61.12 1zr4 s ILE 61 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1zr4 s ILE 61 CO -0.06 0.40 -0.14 -0.76 0.00 0.00 0.00 174.94 174.38 1zr4 s LEU 62 N -1.62 2.85 -0.13 2.97 1.02 0.47 -2.19 118.68 122.05 1zr4 s LEU 62 Ca 0.27 -0.38 -0.12 0.00 0.02 0.00 0.00 54.13 53.92 1zr4 s LEU 62 Cb -0.14 -1.67 0.03 0.00 0.02 0.00 0.00 46.19 44.44 1zr4 s LEU 62 CO 0.15 0.23 0.35 0.54 0.02 0.00 0.00 176.35 177.63 1zr4 s VAL 63 N -1.06 -0.00 0.07 -1.59 0.11 -1.17 -0.53 120.40 116.23 1zr4 s VAL 63 Ca 0.18 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.04 1zr4 s VAL 63 Cb -0.11 -0.49 -0.10 0.00 -1.53 0.00 0.00 36.38 34.15 1zr4 s VAL 63 CO 0.09 0.00 1.47 0.50 -3.33 0.00 0.00 175.10 173.83 1zr4 h LYS 64 N 5.64 0.42 -4.17 1.54 3.64 -1.89 -1.80 116.57 119.95 1zr4 h LYS 64 Ca -0.27 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 58.81 1zr4 h LYS 64 Cb 1.19 -0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.81 1zr4 h LYS 64 CO 0.29 0.65 -0.69 0.21 -2.27 0.00 0.00 179.45 177.64 1zr4 s LYS 65 N -4.79 0.51 0.14 1.90 2.20 -1.26 -0.60 119.74 117.84 1zr4 s LYS 65 Ca -0.14 -1.01 -0.29 0.00 -0.36 0.00 0.00 55.97 54.17 1zr4 s LYS 65 Cb 0.07 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1zr4 s LYS 65 CO 0.75 -0.08 1.57 -0.07 -0.36 0.00 0.00 175.35 177.16 1zr4 h LEU 66 N 3.67 -1.45 0.00 5.43 3.38 -1.98 -2.94 115.31 121.41 1zr4 h LEU 66 Ca -0.33 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1zr4 h LEU 66 Cb 1.17 0.61 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1zr4 h LEU 66 CO 0.57 -0.41 0.00 -0.90 0.09 0.00 0.00 178.44 177.79 1zr4 n ASP 67 N -5.42 0.00 0.00 -0.43 5.75 -1.26 -3.29 116.55 111.89 1zr4 n ASP 67 Ca -0.03 -0.35 0.00 0.00 -0.01 0.00 0.00 54.79 54.40 1zr4 n ASP 67 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1zr4 n ASP 67 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1zr4 n ARG 68 N -0.94 0.00 -0.11 0.11 5.12 -1.11 -4.38 116.66 115.35 1zr4 n ARG 68 Ca 0.07 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.96 1zr4 n ARG 68 Cb 0.03 -0.43 -0.03 0.00 -1.16 0.00 0.00 32.46 30.87 1zr4 n ARG 68 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1zr4 n LEU 69 N -0.33 -0.29 -4.39 0.55 7.94 -1.21 -4.35 117.00 114.93 1zr4 n LEU 69 Ca 0.00 0.53 -0.33 0.00 -1.11 0.00 0.00 56.01 55.09 1zr4 n LEU 69 Cb 0.00 -0.08 -0.14 0.00 0.53 0.00 0.00 43.42 43.73 1zr4 n LEU 69 CO 0.00 -0.41 -0.42 -0.83 -1.11 0.00 0.00 177.39 174.62 1zr4 s GLY 70 N -2.59 1.59 -0.00 -3.96 0.00 -1.23 -4.98 107.32 96.14 1zr4 s GLY 70 Ca -0.03 -0.91 -0.18 0.00 0.00 0.00 0.00 44.72 43.60 1zr4 s GLY 70 CO 0.17 -0.08 0.85 3.21 0.00 0.00 0.00 173.10 177.26 1zr4 h ARG 71 N 6.90 -0.61 -6.83 2.90 3.08 -1.81 -3.41 114.38 114.59 1zr4 h ARG 71 Ca -0.29 0.04 -0.68 0.00 0.07 0.00 0.00 59.98 59.12 1zr4 h ARG 71 Cb 1.20 0.14 -0.22 0.00 0.08 0.00 0.00 29.97 31.17 1zr4 h ARG 71 CO 0.58 -0.41 -0.87 0.16 -1.07 0.00 0.00 179.97 178.36 1zr4 s ASP 72 N -4.16 3.24 0.35 7.04 1.47 -1.26 -4.98 116.67 118.36 1zr4 s ASP 72 Ca -0.09 -0.73 0.07 0.00 1.18 0.00 0.00 52.55 52.98 1zr4 s ASP 72 Cb 0.01 -0.22 0.77 0.00 -0.34 0.00 0.00 42.92 43.14 1zr4 s ASP 72 CO 0.28 0.18 1.89 0.74 0.68 0.00 0.00 175.17 178.93 1zr4 h THR 73 N 3.93 0.89 0.39 2.11 2.02 -1.90 -0.34 112.91 120.01 1zr4 h THR 73 Ca -0.50 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1zr4 h THR 73 Cb 1.17 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1zr4 h THR 73 CO 0.39 0.14 -0.32 0.00 0.37 0.00 0.00 175.52 176.10 1zr4 h ALA 74 N 1.59 -1.06 -0.67 6.16 0.00 -1.99 -0.74 119.26 122.55 1zr4 h ALA 74 Ca 0.42 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.34 1zr4 h ALA 74 Cb 0.59 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 1zr4 h ALA 74 CO -0.19 -1.06 0.05 0.22 0.00 0.00 0.00 179.25 178.27 1zr4 h ASP 75 N -0.70 -0.20 -0.46 0.00 1.82 -1.82 -2.13 116.42 112.93 1zr4 h ASP 75 Ca -0.05 0.16 0.07 0.00 -0.39 0.00 0.00 57.03 56.82 1zr4 h ASP 75 Cb 0.59 0.26 -0.06 0.00 0.68 0.00 0.00 39.33 40.80 1zr4 h ASP 75 CO -0.00 -0.10 0.11 0.24 -1.61 0.00 0.00 179.24 177.87 1zr4 h MET 76 N 0.16 0.24 -0.31 0.28 2.86 -0.90 -2.45 114.93 114.80 1zr4 h MET 76 Ca 0.36 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.87 1zr4 h MET 76 Cb 0.60 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1zr4 h MET 76 CO -0.54 0.16 -0.26 0.82 1.06 0.00 0.00 176.91 178.15 1zr4 h ILE 77 N 0.25 1.29 -0.29 -1.22 2.04 -0.48 -2.71 117.51 116.39 1zr4 h ILE 77 Ca 0.23 -1.42 0.05 0.00 1.00 0.00 0.00 64.86 64.72 1zr4 h ILE 77 Cb 0.28 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1zr4 h ILE 77 CO -0.28 0.46 0.02 1.56 0.00 0.00 0.00 178.15 179.90 1zr4 h GLN 78 N 0.49 0.11 -0.95 2.37 1.08 -1.39 0.13 115.11 116.95 1zr4 h GLN 78 Ca 0.06 -0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.39 1zr4 h GLN 78 Cb 0.83 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.15 1zr4 h GLN 78 CO 0.07 0.07 0.60 -0.07 -0.95 0.00 0.00 178.83 178.55 1zr4 h LEU 79 N 0.11 0.77 0.06 1.46 3.38 -1.28 0.21 115.31 120.03 1zr4 h LEU 79 Ca 0.14 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1zr4 h LEU 79 Cb 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1zr4 h LEU 79 CO -0.22 0.39 -0.03 0.40 0.09 0.00 0.00 178.44 179.08 1zr4 h ILE 80 N 0.82 1.23 -1.00 1.22 2.04 -1.12 -0.83 117.51 119.87 1zr4 h ILE 80 Ca 0.48 -1.54 0.39 0.00 1.00 0.00 0.00 64.86 65.19 1zr4 h ILE 80 Cb 0.65 2.16 -0.18 0.00 -0.74 0.00 0.00 36.82 38.71 1zr4 h ILE 80 CO -0.24 0.35 0.48 0.50 0.00 0.00 0.00 178.15 179.24 1zr4 h LYS 81 N -0.84 0.04 0.16 2.37 3.64 -0.24 0.39 116.57 122.09 1zr4 h LYS 81 Ca -0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1zr4 h LYS 81 Cb 0.64 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1zr4 h LYS 81 CO 0.01 0.02 -0.08 0.93 -2.27 0.00 0.00 179.45 178.07 1zr4 h GLU 82 N 0.04 -0.21 -1.06 1.90 5.08 -0.48 -2.90 114.58 116.94 1zr4 h GLU 82 Ca 0.80 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 59.53 1zr4 h GLU 82 Cb 2.06 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 31.21 1zr4 h GLU 82 CO -0.77 -0.14 0.63 0.74 -1.00 0.00 0.00 179.01 178.46 1zr4 h PHE 83 N -0.38 0.82 0.52 4.33 0.05 -0.66 -1.75 116.94 119.88 1zr4 h PHE 83 Ca -0.02 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.78 1zr4 h PHE 83 Cb 0.17 -0.21 0.01 0.00 2.00 0.00 0.00 35.95 37.91 1zr4 h PHE 83 CO 0.08 -0.21 -0.25 0.22 -0.18 0.00 0.00 178.31 177.97 1zr4 h ASP 84 N 0.24 -0.59 -1.25 2.17 3.58 -0.29 -1.51 116.42 118.76 1zr4 h ASP 84 Ca 0.76 -0.06 0.37 0.00 0.42 0.00 0.00 57.03 58.52 1zr4 h ASP 84 Cb 1.91 0.15 -0.10 0.00 1.72 0.00 0.00 39.33 43.02 1zr4 h ASP 84 CO -0.57 -0.28 0.83 0.00 -2.88 0.00 0.00 179.24 176.35 1zr4 h ALA 85 N -0.57 2.72 0.00 -0.78 0.00 -1.12 0.25 119.26 119.76 1zr4 h ALA 85 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1zr4 h ALA 85 Cb 0.61 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1zr4 h ALA 85 CO 0.12 -1.21 0.00 0.37 0.00 0.00 0.00 179.25 178.52 1zr4 h GLN 86 N 0.17 0.00 -0.14 0.00 4.15 -0.88 -3.47 115.11 114.95 1zr4 h GLN 86 Ca 0.71 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.13 1zr4 h GLN 86 Cb 2.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.93 1zr4 h GLN 86 CO -0.27 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.04 1zr4 n GLY 87 N 0.67 1.01 3.20 2.39 0.00 0.88 -3.58 105.19 109.76 1zr4 n GLY 87 Ca 0.03 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 1zr4 n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1zr4 s VAL 88 N -2.14 1.30 0.14 1.61 -7.23 -0.63 -0.83 120.40 112.62 1zr4 s VAL 88 Ca 0.00 -1.34 0.07 0.00 -1.81 0.00 0.00 61.98 58.90 1zr4 s VAL 88 Cb 0.00 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 1zr4 s VAL 88 CO 0.00 -0.15 -0.17 -0.94 -0.31 0.00 0.00 175.10 173.54 1zr4 s SER 89 N -1.72 2.41 -0.08 4.85 1.04 -1.17 -3.80 113.70 115.24 1zr4 s SER 89 Ca 0.01 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1zr4 s SER 89 Cb -0.10 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 1zr4 s SER 89 CO 0.03 -0.07 -0.08 -0.63 0.98 0.00 0.00 173.24 173.47 1zr4 s ILE 90 N -2.01 3.60 -0.19 -1.02 1.01 -1.26 -1.46 121.20 119.87 1zr4 s ILE 90 Ca 0.12 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1zr4 s ILE 90 Cb -0.06 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.95 1zr4 s ILE 90 CO 0.05 0.58 -0.19 -0.60 0.00 0.00 0.00 174.94 174.78 1zr4 s ARG 91 N -0.54 2.95 -0.16 2.79 3.52 -0.93 -0.66 118.95 125.92 1zr4 s ARG 91 Ca 0.08 -0.86 -0.15 0.00 -0.13 0.00 0.00 55.73 54.67 1zr4 s ARG 91 Cb -0.12 -2.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 1zr4 s ARG 91 CO 0.02 -0.23 0.36 -0.06 -0.81 0.00 0.00 175.30 174.58 1zr4 s PHE 92 N 1.28 3.45 -0.04 5.12 0.40 -0.51 -3.07 117.98 124.61 1zr4 s PHE 92 Ca 0.04 0.66 -0.16 0.00 -0.60 0.00 0.00 56.93 56.88 1zr4 s PHE 92 Cb -0.14 -2.44 -0.09 0.00 0.51 0.00 0.00 43.02 40.87 1zr4 s PHE 92 CO -0.12 0.15 0.65 0.82 0.70 0.00 0.00 175.22 177.42 1zr4 h ILE 93 N 4.79 0.10 -0.41 0.64 2.04 -1.30 -2.25 117.51 121.13 1zr4 h ILE 93 Ca -0.40 -0.66 -0.11 0.00 1.00 0.00 0.00 64.86 64.69 1zr4 h ILE 93 Cb 1.17 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1zr4 h ILE 93 CO 0.75 0.02 -0.18 0.44 0.00 0.00 0.00 178.15 179.18 1zr4 h ASP 94 N -1.11 0.77 1.63 1.72 5.19 -1.12 -3.00 116.42 120.50 1zr4 h ASP 94 Ca -0.05 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1zr4 h ASP 94 Cb 0.42 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1zr4 h ASP 94 CO 0.08 0.95 0.00 0.44 -3.12 0.00 0.00 179.24 177.59 1zr4 h ASP 95 N 0.68 0.00 -5.88 6.45 3.32 -1.75 -3.48 116.42 115.77 1zr4 h ASP 95 Ca 0.10 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.75 1zr4 h ASP 95 Cb 0.67 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.34 1zr4 h ASP 95 CO 0.05 0.00 -0.70 0.61 -1.72 0.00 0.00 179.24 177.48 1zr4 n GLY 96 N 1.00 -0.51 3.27 2.75 0.00 -0.85 -5.01 105.19 105.82 1zr4 n GLY 96 Ca 0.04 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 1zr4 n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1zr4 s ILE 97 N -3.33 0.10 0.03 -0.61 -4.36 -1.19 -5.03 121.20 106.81 1zr4 s ILE 97 Ca 0.51 -1.30 0.00 0.00 -0.26 0.00 0.00 60.65 59.60 1zr4 s ILE 97 Cb -0.23 -1.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.85 1zr4 s ILE 97 CO 0.74 -0.47 -0.03 -0.94 0.24 0.00 0.00 174.94 174.48 1zr4 s SER 98 N -2.92 0.34 0.00 4.36 1.04 -1.26 -1.43 113.70 113.84 1zr4 s SER 98 Ca 0.12 -0.60 0.19 0.00 0.48 0.00 0.00 55.95 56.14 1zr4 s SER 98 Cb 0.04 0.11 1.15 0.00 0.10 0.00 0.00 66.02 67.43 1zr4 s SER 98 CO -0.05 -0.35 1.55 0.35 0.98 0.00 0.00 173.24 175.72 1zr4 n THR 99 N 1.29 0.02 -0.27 2.02 -2.24 0.17 -4.02 114.28 111.26 1zr4 n THR 99 Ca -0.22 0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 1zr4 n THR 99 Cb 0.56 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.07 1zr4 n THR 99 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1zr4 n ASP 100 N -1.02 -0.57 -4.83 3.42 4.64 -1.26 -4.59 116.55 112.34 1zr4 n ASP 100 Ca 0.14 1.18 -0.26 0.00 -1.38 0.00 0.00 54.79 54.47 1zr4 n ASP 100 Cb 0.07 -0.21 -0.04 0.00 -1.04 0.00 0.00 41.12 39.90 1zr4 n ASP 100 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1zr4 s SER 101 N -5.29 4.53 0.02 1.67 1.04 -1.26 -5.03 113.70 109.39 1zr4 s SER 101 Ca -0.09 -1.21 -0.23 0.00 0.48 0.00 0.00 55.95 54.90 1zr4 s SER 101 Cb 0.10 0.08 -0.16 0.00 0.10 0.00 0.00 66.02 66.15 1zr4 s SER 101 CO 0.44 -0.86 1.40 1.88 0.98 0.00 0.00 173.24 177.08 1zr4 h TYR 102 N 1.06 0.15 -0.62 5.02 0.99 -1.94 -2.37 116.97 119.26 1zr4 h TYR 102 Ca -0.40 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.29 1zr4 h TYR 102 Cb 1.29 -0.04 -0.03 0.00 1.00 0.00 0.00 36.73 38.95 1zr4 h TYR 102 CO 0.92 0.46 0.35 0.82 -0.00 0.00 0.00 178.16 180.72 1zr4 h ILE 103 N -0.21 1.18 -0.00 -2.88 5.03 -1.97 -2.53 117.51 116.12 1zr4 h ILE 103 Ca 0.02 -0.44 0.01 0.00 -0.12 0.00 0.00 64.86 64.32 1zr4 h ILE 103 Cb 0.42 0.33 -0.02 0.00 -3.03 0.00 0.00 36.82 34.52 1zr4 h ILE 103 CO 0.01 0.20 -0.15 1.23 -0.68 0.00 0.00 178.15 178.75 1zr4 h GLY 104 N 0.91 -1.33 -0.24 5.37 0.00 -1.72 -0.99 103.07 105.08 1zr4 h GLY 104 Ca 0.22 0.62 0.14 0.00 0.00 0.00 0.00 47.33 48.32 1zr4 h GLY 104 CO -0.04 -0.45 -0.06 0.50 0.00 0.00 0.00 176.54 176.49 1zr4 h LYS 105 N -0.19 0.07 -0.26 4.80 1.57 -1.18 -0.71 116.57 120.67 1zr4 h LYS 105 Ca 0.00 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1zr4 h LYS 105 Cb 0.20 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 1zr4 h LYS 105 CO -0.10 0.04 -0.30 1.98 -0.57 0.00 0.00 179.45 180.50 1zr4 h MET 106 N 0.07 -0.30 -0.60 3.15 4.05 -1.07 0.23 114.93 120.46 1zr4 h MET 106 Ca 0.35 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.81 1zr4 h MET 106 Cb 0.57 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.39 1zr4 h MET 106 CO -0.62 -0.20 0.37 0.28 0.23 0.00 0.00 176.91 176.97 1zr4 h VAL 107 N -0.31 1.07 0.14 -5.77 2.07 0.21 0.35 116.25 114.02 1zr4 h VAL 107 Ca 0.13 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1zr4 h VAL 107 Cb 0.52 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1zr4 h VAL 107 CO -0.43 0.13 -0.38 0.58 0.02 0.00 0.00 177.57 177.49 1zr4 h VAL 108 N 0.73 0.00 -0.80 2.57 2.07 -0.82 0.92 116.25 120.92 1zr4 h VAL 108 Ca 0.24 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.96 1zr4 h VAL 108 Cb 0.02 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.66 1zr4 h VAL 108 CO -0.10 0.00 0.10 0.74 0.02 0.00 0.00 177.57 178.33 1zr4 h THR 109 N -0.58 0.34 0.92 2.57 2.02 0.05 -1.11 112.91 117.12 1zr4 h THR 109 Ca -0.01 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1zr4 h THR 109 Cb 0.56 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1zr4 h THR 109 CO -0.18 0.03 -0.44 0.40 0.37 0.00 0.00 175.52 175.70 1zr4 h ILE 110 N 0.16 0.02 -0.77 3.11 2.04 0.04 -2.07 117.51 120.05 1zr4 h ILE 110 Ca 0.47 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 66.35 1zr4 h ILE 110 Cb 0.87 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1zr4 h ILE 110 CO -0.65 0.00 0.40 -0.07 0.00 0.00 0.00 178.15 177.83 1zr4 h LEU 111 N -1.31 0.54 -1.00 1.44 3.38 0.07 0.26 115.31 118.69 1zr4 h LEU 111 Ca -0.13 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1zr4 h LEU 111 Cb 0.95 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1zr4 h LEU 111 CO 0.21 0.30 0.15 0.77 0.09 0.00 0.00 178.44 179.96 1zr4 h SER 112 N 0.67 0.82 -0.58 -0.43 4.64 -1.26 0.23 113.55 117.64 1zr4 h SER 112 Ca 0.38 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 1zr4 h SER 112 Cb 0.40 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1zr4 h SER 112 CO -0.27 0.79 0.18 0.00 -0.87 0.00 0.00 176.83 176.66 1zr4 h ALA 113 N 1.32 1.16 -0.21 5.18 0.00 0.15 0.22 119.26 127.08 1zr4 h ALA 113 Ca 0.19 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1zr4 h ALA 113 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1zr4 h ALA 113 CO -0.00 0.58 -0.46 0.28 0.00 0.00 0.00 179.25 179.65 1zr4 h VAL 114 N 0.90 1.31 0.64 0.00 2.07 -0.46 -2.98 116.25 117.74 1zr4 h VAL 114 Ca 0.20 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 1zr4 h VAL 114 Cb 0.27 1.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1zr4 h VAL 114 CO -0.01 0.52 -0.31 0.00 0.02 0.00 0.00 177.57 177.79 1zr4 h ALA 115 N 1.06 -0.86 -0.91 1.67 0.00 -0.26 -2.56 119.26 117.40 1zr4 h ALA 115 Ca 0.03 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 54.94 1zr4 h ALA 115 Cb 0.97 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 1zr4 h ALA 115 CO 0.09 -0.86 0.44 0.37 0.00 0.00 0.00 179.25 179.28 1zr4 h GLN 116 N -1.10 0.46 0.62 0.00 4.15 -0.62 0.41 115.11 119.02 1zr4 h GLN 116 Ca -0.09 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 1zr4 h GLN 116 Cb 0.70 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1zr4 h GLN 116 CO 0.14 0.30 -0.31 0.00 -1.93 0.00 0.00 178.83 177.03 1zr4 h ALA 117 N 1.69 -0.85 0.00 3.38 0.00 -1.52 -0.22 119.26 121.74 1zr4 h ALA 117 Ca 0.56 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1zr4 h ALA 117 Cb 1.03 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1zr4 h ALA 117 CO -0.49 -0.98 -0.15 0.93 0.00 0.00 0.00 179.25 178.56 1zr4 h GLU 118 N -0.85 0.00 0.00 0.00 3.07 0.06 -1.34 114.58 115.52 1zr4 h GLU 118 Ca -0.08 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.64 1zr4 h GLU 118 Cb 0.66 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1zr4 h GLU 118 CO 0.13 0.15 -0.66 -0.09 -1.40 0.00 0.00 179.01 177.14 1zr4 h ARG 119 N 0.00 0.00 -0.03 2.33 1.12 -0.26 -3.11 114.38 114.43 1zr4 h ARG 119 Ca -0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.65 1zr4 h ARG 119 Cb 0.43 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.40 1zr4 h ARG 119 CO 0.02 0.66 -0.83 1.96 -3.11 0.00 0.00 179.97 178.66 1zr4 h GLN 120 N 0.00 0.62 -0.64 0.20 4.20 0.12 -3.04 115.11 116.58 1zr4 h GLN 120 Ca -0.01 -0.63 -0.00 0.00 0.06 0.00 0.00 58.65 58.08 1zr4 h GLN 120 Cb 1.20 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 1zr4 h GLN 120 CO 0.09 1.23 0.39 -0.09 -0.67 0.00 0.00 178.83 179.78 1zr4 h ARG 121 N 0.26 0.85 -0.44 1.46 1.12 -1.53 -0.95 114.38 115.16 1zr4 h ARG 121 Ca -0.09 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.62 1zr4 h ARG 121 Cb 1.50 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 31.25 1zr4 h ARG 121 CO 0.17 0.59 -0.10 0.82 -3.11 0.00 0.00 179.97 178.33 1zr4 h ILE 122 N 0.87 1.26 -0.00 1.20 1.08 -1.58 -1.51 117.51 118.82 1zr4 h ILE 122 Ca 0.23 -1.16 -0.00 0.00 -0.39 0.00 0.00 64.86 63.54 1zr4 h ILE 122 Cb -0.05 1.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1zr4 h ILE 122 CO -0.05 0.40 0.00 0.25 -0.69 0.00 0.00 178.15 178.06 1zr4 h LEU 123 N 0.71 0.01 -1.28 1.44 6.46 -1.07 0.15 115.31 121.73 1zr4 h LEU 123 Ca 0.12 -0.17 -0.06 0.00 -0.12 0.00 0.00 57.88 57.65 1zr4 h LEU 123 Cb 0.58 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1zr4 h LEU 123 CO 0.04 0.18 -0.10 -0.61 -0.62 0.00 0.00 178.44 177.32 1zr4 h GLN 124 N -0.16 0.37 -0.23 1.25 4.15 -1.33 -0.67 115.11 118.48 1zr4 h GLN 124 Ca 0.00 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 1zr4 h GLN 124 Cb 0.17 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1zr4 h GLN 124 CO -0.00 0.48 -0.05 -0.09 -1.93 0.00 0.00 178.83 177.24 1zr4 h ARG 125 N 0.35 0.44 -0.92 1.69 9.65 -1.04 -1.12 114.38 123.42 1zr4 h ARG 125 Ca 0.07 -0.17 0.08 0.00 -1.10 0.00 0.00 59.98 58.87 1zr4 h ARG 125 Cb 0.40 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.88 1zr4 h ARG 125 CO 0.02 0.67 0.57 1.15 2.80 0.00 0.00 179.97 185.19 1zr4 h THR 126 N 0.18 1.00 -0.23 0.20 2.02 -0.36 -2.02 112.91 113.71 1zr4 h THR 126 Ca 0.06 -0.34 -0.14 0.00 0.77 0.00 0.00 66.41 66.76 1zr4 h THR 126 Cb 0.50 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1zr4 h THR 126 CO 0.02 0.18 -0.40 -1.13 0.37 0.00 0.00 175.52 174.56 1zr4 h ASN 127 N 1.00 0.74 -0.80 4.18 -0.73 -1.04 -2.43 115.58 116.50 1zr4 h ASN 127 Ca 0.42 -0.53 0.03 0.00 1.87 0.00 0.00 56.30 58.08 1zr4 h ASN 127 Cb 0.28 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.61 1zr4 h ASN 127 CO -0.21 1.14 0.53 -0.33 -0.37 0.00 0.00 177.43 178.19 1zr4 h GLU 128 N 0.38 0.98 0.00 6.67 5.08 -1.02 -1.79 114.58 124.87 1zr4 h GLU 128 Ca 0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1zr4 h GLU 128 Cb 1.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1zr4 h GLU 128 CO 0.09 0.65 -0.29 0.78 -1.00 0.00 0.00 179.01 179.24 1zr4 h GLY 129 N 1.01 0.00 1.45 -3.84 0.00 -1.25 -2.40 103.07 98.04 1zr4 h GLY 129 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.66 1zr4 h GLY 129 CO -0.08 0.00 0.35 3.21 0.00 0.00 0.00 176.54 180.01 1zr4 h ARG 130 N 0.00 0.65 0.00 4.80 2.47 -0.82 -3.04 114.38 118.44 1zr4 h ARG 130 Ca -0.00 -0.04 -0.16 0.00 -1.26 0.00 0.00 59.98 58.52 1zr4 h ARG 130 Cb 0.68 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 1zr4 h ARG 130 CO 0.04 0.43 -0.98 1.96 0.56 0.00 0.00 179.97 181.97 1zr4 h GLN 131 N 0.67 0.00 0.00 0.04 1.08 -1.40 -1.46 115.11 114.04 1zr4 h GLN 131 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1zr4 h GLN 131 Cb -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1zr4 h GLN 131 CO -0.05 0.53 0.00 -0.85 -0.95 0.00 0.00 178.83 177.51 1zr4 n GLU 132 N -3.13 0.28 -0.00 1.46 0.28 -1.14 -3.17 120.64 115.21 1zr4 n GLU 132 Ca -0.04 0.02 0.01 0.00 -0.16 0.00 0.00 57.16 57.00 1zr4 n GLU 132 Cb 0.83 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.19 1zr4 n GLU 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1zr4 n ALA 133 N -1.35 2.21 -0.02 -1.84 0.00 -1.20 -4.29 120.51 114.02 1zr4 n ALA 133 Ca 0.11 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1zr4 n ALA 133 Cb 0.26 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 1zr4 n ALA 133 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1zr4 h MET 134 N 0.00 -0.02 0.00 0.00 1.85 -1.23 -1.94 114.93 113.58 1zr4 h MET 134 Ca 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 1zr4 h MET 134 Cb 0.08 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.11 1zr4 h MET 134 CO 0.00 0.54 -0.18 0.00 -0.40 0.00 0.00 176.91 176.87 1zr4 h ALA 135 N 0.37 0.89 -0.67 0.39 0.00 -1.82 -3.23 119.26 115.19 1zr4 h ALA 135 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1zr4 h ALA 135 Cb 0.57 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1zr4 h ALA 135 CO 0.00 0.21 0.41 -0.22 0.00 0.00 0.00 179.25 179.65 1zr4 h LYS 136 N 0.00 0.91 0.00 0.00 3.64 -1.74 -3.47 116.57 115.91 1zr4 h LYS 136 Ca -0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1zr4 h LYS 136 Cb 1.13 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1zr4 h LYS 136 CO 0.02 0.64 0.00 0.41 -2.27 0.00 0.00 179.45 178.25 1zr4 n GLY 137 N -1.18 -0.05 3.70 5.01 0.00 -1.11 -5.08 105.19 106.48 1zr4 n GLY 137 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1zr4 n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zr4 s VAL 138 N -0.76 3.87 0.06 1.61 1.01 -0.75 -4.99 120.40 120.45 1zr4 s VAL 138 Ca 0.00 1.31 -0.26 0.00 0.00 0.00 0.00 61.98 63.03 1zr4 s VAL 138 Cb 0.00 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 1zr4 s VAL 138 CO 0.00 0.06 0.79 -0.69 0.00 0.00 0.00 175.10 175.26 1zr4 s VAL 139 N 1.53 4.69 0.14 2.92 1.01 -1.26 -4.73 120.40 124.70 1zr4 s VAL 139 Ca 0.60 1.68 0.03 0.00 0.00 0.00 0.00 61.98 64.30 1zr4 s VAL 139 Cb -0.30 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1zr4 s VAL 139 CO 0.28 0.37 0.18 -0.36 0.00 0.00 0.00 175.10 175.56 1zr4 s PHE 140 N -0.09 3.30 0.00 5.22 0.40 -1.26 -5.07 117.98 120.48 1zr4 s PHE 140 Ca 0.39 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 1zr4 s PHE 140 Cb -0.21 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.72 1zr4 s PHE 140 CO 0.24 0.53 0.00 0.41 0.70 0.00 0.00 175.22 177.09 1zr4 n GLY 141 N -0.22 0.98 3.72 4.36 0.00 -1.26 -5.00 105.19 107.76 1zr4 n GLY 141 Ca -0.08 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.23 1zr4 n GLY 141 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1zr4 s ARG 142 N -1.09 4.27 0.30 1.61 3.52 -1.26 -4.97 118.95 121.32 1zr4 s ARG 142 Ca 0.00 2.23 -0.29 0.00 -0.13 0.00 0.00 55.73 57.54 1zr4 s ARG 142 Cb 0.00 -3.19 -0.10 0.00 -1.56 0.00 0.00 34.95 30.10 1zr4 s ARG 142 CO 0.00 -0.51 1.42 0.15 -0.81 0.00 0.00 175.30 175.56 1zr4 s LYS 143 N 0.92 4.25 0.49 5.12 1.02 -1.26 -4.96 119.74 125.32 1zr4 s LYS 143 Ca 0.66 2.36 -0.23 0.00 0.02 0.00 0.00 55.97 58.78 1zr4 s LYS 143 Cb -0.41 -3.06 -0.06 0.00 -0.52 0.00 0.00 37.83 33.78 1zr4 s LYS 143 CO 0.32 -0.39 1.27 1.03 -0.92 0.00 0.00 175.35 176.66 1zr4 s ARG 144 N -1.14 3.52 0.00 1.68 0.52 -1.26 -4.96 118.95 117.30 1zr4 s ARG 144 Ca 0.55 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 1zr4 s ARG 144 Cb -0.43 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.65 1zr4 s ARG 144 CO 0.50 -0.83 0.00 1.63 0.02 0.00 0.00 175.30 176.63 1zr4 n LYS 145 N -0.63 1.40 -2.71 3.54 5.02 -1.26 -5.07 118.16 118.45 1zr4 n LYS 145 Ca 0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 1zr4 n LYS 145 Cb 0.46 -0.68 -0.05 0.00 -0.02 0.00 0.00 35.03 34.74 1zr4 n LYS 145 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1zr4 s ILE 146 N -1.36 4.22 -0.82 -0.18 1.01 -1.26 -4.98 121.20 117.84 1zr4 s ILE 146 Ca 0.00 2.03 -0.25 0.00 0.00 0.00 0.00 60.65 62.42 1zr4 s ILE 146 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1zr4 s ILE 146 CO 0.00 0.40 1.73 -0.62 0.00 0.00 0.00 174.94 176.44 1zr4 s ASP 147 N -0.57 5.59 0.00 3.58 2.15 -1.26 -4.83 116.67 121.34 1zr4 s ASP 147 Ca 0.44 -0.50 0.28 0.00 0.43 0.00 0.00 52.55 53.21 1zr4 s ASP 147 Cb -0.25 -2.55 1.47 0.00 -0.30 0.00 0.00 42.92 41.29 1zr4 s ASP 147 CO 0.32 -2.27 1.99 0.54 -0.17 0.00 0.00 175.17 175.58 1zr4 n ARG 148 N 9.04 0.48 -0.48 4.34 1.74 -1.26 -2.86 116.66 127.65 1zr4 n ARG 148 Ca 0.27 0.02 0.05 0.00 -0.77 0.00 0.00 57.85 57.42 1zr4 n ARG 148 Cb 0.49 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.67 1zr4 n ARG 148 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1zr4 n ASP 149 N -1.24 3.58 0.00 0.55 8.00 -1.26 -3.84 116.55 122.34 1zr4 n ASP 149 Ca 0.15 -2.46 0.00 0.00 0.71 0.00 0.00 54.79 53.18 1zr4 n ASP 149 Cb 0.20 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1zr4 n ASP 149 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zr4 n ALA 150 N 0.43 0.40 -0.04 2.24 0.00 -1.14 -4.55 120.51 117.86 1zr4 n ALA 150 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 1zr4 n ALA 150 Cb 0.74 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.08 1zr4 n ALA 150 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1zr4 h VAL 151 N 0.00 1.57 0.00 0.00 2.07 -1.68 -2.95 116.25 115.26 1zr4 h VAL 151 Ca 0.00 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.64 1zr4 h VAL 151 Cb 0.01 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1zr4 h VAL 151 CO 0.00 0.49 -0.15 -0.07 0.02 0.00 0.00 177.57 177.86 1zr4 h LEU 152 N -0.61 0.00 -0.09 2.57 3.38 -1.89 -2.37 115.31 116.30 1zr4 h LEU 152 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1zr4 h LEU 152 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1zr4 h LEU 152 CO 0.02 0.15 0.00 -1.13 0.09 0.00 0.00 178.44 177.57 1zr4 h ASN 153 N 0.00 0.00 0.00 -0.43 -0.73 -1.80 -3.03 115.58 109.59 1zr4 h ASN 153 Ca -0.00 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.03 1zr4 h ASN 153 Cb 0.90 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.46 1zr4 h ASN 153 CO 0.02 0.00 -1.89 0.80 -0.37 0.00 0.00 177.43 175.99 1zr4 n MET 154 N -2.84 1.01 -0.01 6.67 1.56 -1.11 -4.16 117.12 118.24 1zr4 n MET 154 Ca 0.04 -0.08 -0.18 0.00 -0.27 0.00 0.00 57.70 57.22 1zr4 n MET 154 Cb 0.48 -1.39 -0.09 0.00 2.15 0.00 0.00 33.22 34.38 1zr4 n MET 154 CO 0.00 0.00 0.00 2.35 -0.73 0.00 0.00 175.97 177.59 1zr4 h TRP 155 N 0.00 0.86 0.00 1.12 7.01 -1.52 -3.13 115.95 120.29 1zr4 h TRP 155 Ca -0.20 -0.42 0.00 0.00 2.11 0.00 0.00 58.89 60.38 1zr4 h TRP 155 Cb 1.34 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.28 1zr4 h TRP 155 CO 0.00 1.23 0.00 1.04 -2.79 0.00 0.00 178.44 177.92 1zr4 n GLN 156 N -4.07 0.19 0.17 2.65 6.02 -1.14 -1.78 117.38 119.42 1zr4 n GLN 156 Ca -0.09 0.41 0.05 0.00 -0.01 0.00 0.00 57.00 57.36 1zr4 n GLN 156 Cb 0.72 -1.86 0.20 0.00 1.02 0.00 0.00 30.24 30.32 1zr4 n GLN 156 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1zr4 h GLN 157 N 0.00 0.00 0.00 -1.09 4.15 -1.70 -3.48 115.11 112.99 1zr4 h GLN 157 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1zr4 h GLN 157 Cb 0.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1zr4 h GLN 157 CO 0.00 0.41 0.00 0.41 -1.93 0.00 0.00 178.83 177.72 1zr4 n GLY 158 N 0.75 1.51 3.74 2.39 0.00 -0.73 -5.11 105.19 107.73 1zr4 n GLY 158 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1zr4 n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zr4 s LEU 159 N 0.00 4.44 1.13 0.99 1.43 -1.20 -5.00 118.68 120.47 1zr4 s LEU 159 Ca 0.00 2.39 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 1zr4 s LEU 159 Cb 0.00 -3.62 0.26 0.00 0.03 0.00 0.00 46.19 42.87 1zr4 s LEU 159 CO 0.00 -0.44 1.05 -0.83 0.23 0.00 0.00 176.35 176.36 1zr4 s GLY 160 N 0.01 1.57 0.00 -3.19 0.00 -1.26 -4.58 107.32 99.88 1zr4 s GLY 160 Ca 0.53 0.04 0.24 0.00 0.00 0.00 0.00 44.72 45.53 1zr4 s GLY 160 CO 0.40 0.71 1.26 0.00 0.00 0.00 0.00 173.10 175.47 1zr4 n ALA 161 N -4.84 3.87 -1.12 3.20 0.00 -1.26 -3.30 120.51 117.06 1zr4 n ALA 161 Ca 0.05 -0.45 -0.25 0.00 0.00 0.00 0.00 53.44 52.79 1zr4 n ALA 161 Cb 0.54 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 19.12 1zr4 n ALA 161 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zr4 n SER 162 N -1.33 4.95 0.00 0.00 7.64 -1.26 -4.33 113.62 119.29 1zr4 n SER 162 Ca 0.06 -3.54 0.00 0.00 1.01 0.00 0.00 58.87 56.40 1zr4 n SER 162 Cb 0.34 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1zr4 n SER 162 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1zr4 n HIS 163 N -0.92 0.00 0.12 1.43 -0.00 -1.24 -4.82 115.22 109.80 1zr4 n HIS 163 Ca 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 58.26 1zr4 n HIS 163 Cb 1.28 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 31.46 1zr4 n HIS 163 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1zr4 h ILE 164 N 0.00 1.37 0.00 3.57 2.04 -1.74 -2.03 117.51 120.72 1zr4 h ILE 164 Ca 0.00 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.02 1zr4 h ILE 164 Cb 0.00 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1zr4 h ILE 164 CO 0.00 0.53 -0.06 0.77 0.00 0.00 0.00 178.15 179.39 1zr4 h SER 165 N 0.10 0.00 0.59 1.72 4.64 -1.85 -2.80 113.55 115.95 1zr4 h SER 165 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1zr4 h SER 165 Cb 0.98 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1zr4 h SER 165 CO 0.08 0.06 -1.43 0.11 -0.87 0.00 0.00 176.83 174.78 1zr4 h LYS 166 N 0.00 0.15 0.25 4.77 1.57 -1.76 -3.35 116.57 118.20 1zr4 h LYS 166 Ca -0.00 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1zr4 h LYS 166 Cb 0.69 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1zr4 h LYS 166 CO 0.01 0.99 -0.12 1.15 -0.57 0.00 0.00 179.45 180.90 1zr4 h THR 167 N 0.04 0.78 -2.15 -0.16 2.02 -1.32 -3.45 112.91 108.67 1zr4 h THR 167 Ca -0.19 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1zr4 h THR 167 Cb 1.96 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1zr4 h THR 167 CO 0.14 0.14 0.00 0.23 0.37 0.00 0.00 175.52 176.40 1zr4 n MET 168 N -5.08 1.51 -3.03 6.66 2.81 -1.06 -5.06 117.12 113.88 1zr4 n MET 168 Ca -0.09 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.56 1zr4 n MET 168 Cb 0.26 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.73 1zr4 n MET 168 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1zr4 n ASN 169 N -0.79 3.32 -4.29 7.83 4.05 -1.26 -4.84 115.26 119.29 1zr4 n ASN 169 Ca 0.00 -3.47 -0.15 0.00 0.45 0.00 0.00 54.58 51.41 1zr4 n ASN 169 Cb 0.00 -0.58 -0.10 0.00 1.23 0.00 0.00 39.78 40.33 1zr4 n ASN 169 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1zr4 s ILE 170 N -3.80 1.12 0.61 -1.44 -4.36 -1.26 -5.15 121.20 106.93 1zr4 s ILE 170 Ca 0.46 -2.05 -0.16 0.00 -0.26 0.00 0.00 60.65 58.64 1zr4 s ILE 170 Cb 0.30 -2.07 -0.02 0.00 1.25 0.00 0.00 42.46 41.92 1zr4 s ILE 170 CO -0.12 -0.56 1.08 0.00 0.24 0.00 0.00 174.94 175.58 1zr4 s ALA 171 N -3.36 2.64 -0.64 2.27 0.00 -1.26 -4.73 121.76 116.68 1zr4 s ALA 171 Ca 0.22 0.48 0.24 0.00 0.00 0.00 0.00 51.96 52.90 1zr4 s ALA 171 Cb 0.04 -3.27 0.91 0.00 0.00 0.00 0.00 23.12 20.80 1zr4 s ALA 171 CO 0.04 -0.97 1.71 2.89 0.00 0.00 0.00 175.76 179.43 1zr4 n ARG 172 N -2.11 0.18 0.11 0.00 1.85 -1.26 -2.62 116.66 112.81 1zr4 n ARG 172 Ca 0.10 0.32 -0.03 0.00 -1.00 0.00 0.00 57.85 57.24 1zr4 n ARG 172 Cb 0.52 -1.79 0.11 0.00 -1.05 0.00 0.00 32.46 30.26 1zr4 n ARG 172 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1zr4 h SER 173 N 0.00 0.07 1.26 2.89 0.87 -1.97 -3.33 113.55 113.33 1zr4 h SER 173 Ca 0.00 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 1zr4 h SER 173 Cb 0.46 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1zr4 h SER 173 CO 0.00 0.73 -0.77 0.74 -0.53 0.00 0.00 176.83 176.99 1zr4 h THR 174 N 0.04 0.45 -0.18 2.23 2.02 -1.89 -3.19 112.91 112.38 1zr4 h THR 174 Ca -0.01 -1.71 -0.02 0.00 0.77 0.00 0.00 66.41 65.44 1zr4 h THR 174 Cb 1.21 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.68 1zr4 h THR 174 CO 0.09 0.25 0.02 0.58 0.37 0.00 0.00 175.52 176.84 1zr4 h VAL 175 N 0.00 1.23 0.00 3.16 2.07 -1.67 -1.55 116.25 119.49 1zr4 h VAL 175 Ca -0.05 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1zr4 h VAL 175 Cb 1.30 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1zr4 h VAL 175 CO 0.04 0.23 -0.21 1.88 0.02 0.00 0.00 177.57 179.53 1zr4 h TYR 176 N 0.08 0.00 -0.03 1.57 -1.99 -1.71 -2.32 116.97 112.56 1zr4 h TYR 176 Ca 0.05 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.53 1zr4 h TYR 176 Cb 0.33 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.07 1zr4 h TYR 176 CO 0.02 0.21 -0.96 -0.22 -0.00 0.00 0.00 178.16 177.21 1zr4 h LYS 177 N 0.00 0.66 -0.45 4.88 3.64 -1.51 -2.45 116.57 121.33 1zr4 h LYS 177 Ca -0.00 -0.66 -0.10 0.00 -1.27 0.00 0.00 60.65 58.61 1zr4 h LYS 177 Cb 0.58 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1zr4 h LYS 177 CO 0.03 1.26 -0.12 0.28 -2.27 0.00 0.00 179.45 178.63 1zr4 h VAL 178 N 0.39 1.26 -0.01 2.00 2.07 -1.03 -2.36 116.25 118.57 1zr4 h VAL 178 Ca -0.10 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1zr4 h VAL 178 Cb 1.60 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1zr4 h VAL 178 CO 0.19 0.41 -0.05 0.40 0.02 0.00 0.00 177.57 178.54 1zr4 h ILE 179 N 0.74 1.49 -0.48 4.57 2.04 -1.49 -3.14 117.51 121.25 1zr4 h ILE 179 Ca 0.12 -1.52 -0.08 0.00 1.00 0.00 0.00 64.86 64.38 1zr4 h ILE 179 Cb 0.61 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 1zr4 h ILE 179 CO 0.04 0.40 -0.03 0.78 0.00 0.00 0.00 178.15 179.34 1zr4 h ASN 180 N -0.56 0.86 0.28 1.72 2.35 -1.50 -3.25 115.58 115.48 1zr4 h ASN 180 Ca -0.00 -0.32 -0.16 0.00 -0.55 0.00 0.00 56.30 55.27 1zr4 h ASN 180 Cb 0.68 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1zr4 h ASN 180 CO 0.01 0.97 -0.63 -0.08 -1.65 0.00 0.00 177.43 176.05 1zr4 h GLU 181 N 0.72 0.33 -5.37 0.81 4.81 -1.57 -3.36 114.58 110.95 1zr4 h GLU 181 Ca 0.13 -0.24 -0.70 0.00 -0.13 0.00 0.00 59.36 58.42 1zr4 h GLU 181 Cb 0.55 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.85 1zr4 h GLU 181 CO 0.03 0.86 1.82 -1.54 -0.73 0.00 0.00 179.01 179.45 1zr4 s SER 182 N -6.92 6.94 0.00 1.04 1.04 -1.18 -5.11 113.70 109.51 1zr4 s SER 182 Ca -0.05 -2.68 0.00 0.00 0.48 0.00 0.00 55.95 53.70 1zr4 s SER 182 Cb 0.11 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1zr4 s SER 182 CO 0.82 -0.99 0.46 0.59 0.98 0.00 0.00 173.24 175.10