#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 4.25 0.03 0.00 1.02 -1.26 -2.11 118.68 120.61 1zr4 s LEU 3 Ca 0.00 0.84 -0.00 0.00 0.02 0.00 0.00 54.13 54.98 1zr4 s LEU 3 Cb 0.00 -3.38 -0.03 0.00 0.02 0.00 0.00 46.19 42.80 1zr4 s LEU 3 CO 0.00 0.03 -0.03 -0.36 0.02 0.00 0.00 176.35 176.01 1zr4 s PHE 4 N -1.64 0.34 0.38 0.29 0.40 -0.54 -4.78 117.98 112.42 1zr4 s PHE 4 Ca 0.41 -0.67 0.08 0.00 -0.60 0.00 0.00 56.93 56.15 1zr4 s PHE 4 Cb -0.13 -0.25 -0.06 0.00 0.51 0.00 0.00 43.02 43.10 1zr4 s PHE 4 CO 0.21 -0.24 0.08 0.20 0.70 0.00 0.00 175.22 176.17 1zr4 s GLY 5 N -1.85 2.23 -0.29 4.36 0.00 -0.59 0.18 107.32 111.35 1zr4 s GLY 5 Ca -0.10 -2.06 -0.14 0.00 0.00 0.00 0.00 44.72 42.42 1zr4 s GLY 5 CO -0.03 -1.93 0.69 -0.47 0.00 0.00 0.00 173.10 171.36 1zr4 s TYR 6 N -2.57 -1.15 0.11 1.90 5.04 -0.74 -2.50 117.35 117.44 1zr4 s TYR 6 Ca 0.37 2.17 0.04 0.00 -2.44 0.00 0.00 57.07 57.21 1zr4 s TYR 6 Cb 0.03 0.69 -0.04 0.00 0.35 0.00 0.00 41.96 42.99 1zr4 s TYR 6 CO 0.21 -0.57 -0.10 0.00 -1.34 0.00 0.00 175.55 173.74 1zr4 s ALA 7 N 2.07 1.22 0.05 3.97 0.00 -1.11 -4.34 121.76 123.63 1zr4 s ALA 7 Ca -0.09 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.43 1zr4 s ALA 7 Cb -0.07 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1zr4 s ALA 7 CO -0.19 -0.04 0.40 0.50 0.00 0.00 0.00 175.76 176.42 1zr4 s ARG 8 N -3.02 0.93 -0.04 0.00 3.52 -1.26 -3.02 118.95 116.05 1zr4 s ARG 8 Ca 0.08 -0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 55.17 1zr4 s ARG 8 Cb -0.02 0.41 0.01 0.00 -1.56 0.00 0.00 34.95 33.80 1zr4 s ARG 8 CO 0.00 -0.32 0.21 0.54 -0.81 0.00 0.00 175.30 174.92 1zr4 s VAL 9 N -2.66 0.04 0.00 7.11 0.11 -1.20 -4.92 120.40 118.88 1zr4 s VAL 9 Ca -0.04 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1zr4 s VAL 9 Cb -0.00 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1zr4 s VAL 9 CO -0.04 -0.19 0.00 -1.54 -3.33 0.00 0.00 175.10 170.01 1zr4 n SER 10 N 2.10 0.19 -3.86 3.54 3.41 -1.26 -2.14 113.62 115.61 1zr4 n SER 10 Ca -0.18 -0.24 -0.19 0.00 -0.26 0.00 0.00 58.87 58.01 1zr4 n SER 10 Cb 0.57 0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 64.94 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 -0.55 0.22 0.46 6.66 2.01 -1.26 -4.95 115.64 118.24 1zr4 s THR 11 Ca 0.00 -2.00 0.35 0.00 0.31 0.00 0.00 61.69 60.35 1zr4 s THR 11 Cb 0.00 -2.49 0.55 0.00 0.01 0.00 0.00 72.50 70.56 1zr4 s THR 11 CO 0.00 0.00 1.59 0.28 -0.69 0.00 0.00 174.62 175.80 1zr4 h SER 12 N 2.21 0.17 0.00 3.53 0.02 -2.01 -3.08 113.55 114.39 1zr4 h SER 12 Ca -0.32 0.13 -0.47 0.00 -0.84 0.00 0.00 61.79 60.29 1zr4 h SER 12 Cb 1.25 0.13 0.03 0.00 0.14 0.00 0.00 62.40 63.94 1zr4 h SER 12 CO 0.48 -0.20 2.43 1.67 -1.14 0.00 0.00 176.83 180.07 1zr4 n GLN 13 N -4.59 1.78 -0.83 3.45 7.27 -1.26 -4.75 117.38 118.45 1zr4 n GLN 13 Ca 0.41 -1.56 -0.09 0.00 0.07 0.00 0.00 57.00 55.82 1zr4 n GLN 13 Cb 1.63 -2.61 -0.13 0.00 2.41 0.00 0.00 30.24 31.54 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 5.29 1.65 -0.25 3.69 6.02 -1.17 -4.56 117.38 128.05 1zr4 n GLN 14 Ca 0.45 -0.76 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1zr4 n GLN 14 Cb 0.23 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.67 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 2.40 3.34 0.26 1.08 3.41 -1.26 -4.21 113.62 118.64 1zr4 n SER 15 Ca 0.33 -1.84 0.16 0.00 -0.26 0.00 0.00 58.87 57.25 1zr4 n SER 15 Cb 0.77 -0.68 0.72 0.00 -0.26 0.00 0.00 64.21 64.76 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 2.69 0.00 0.42 1.04 5.85 -1.92 -1.47 115.31 121.92 1zr4 h LEU 16 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1zr4 h LEU 16 Cb 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1zr4 h LEU 16 CO 0.00 0.00 -0.20 0.44 -0.34 0.00 0.00 178.44 178.34 1zr4 h ASP 17 N 0.00 -0.48 -0.96 1.25 3.32 -1.99 -2.71 116.42 114.85 1zr4 h ASP 17 Ca 0.06 -0.10 0.25 0.00 0.02 0.00 0.00 57.03 57.27 1zr4 h ASP 17 Cb 0.96 0.12 -0.18 0.00 0.22 0.00 0.00 39.33 40.45 1zr4 h ASP 17 CO -0.00 -0.06 0.00 0.40 -1.72 0.00 0.00 179.24 177.86 1zr4 h ILE 18 N -1.01 0.06 -0.02 0.35 2.04 -1.63 0.82 117.51 118.11 1zr4 h ILE 18 Ca -0.06 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1zr4 h ILE 18 Cb 0.55 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1zr4 h ILE 18 CO 0.09 0.00 -0.02 1.56 0.00 0.00 0.00 178.15 179.79 1zr4 h GLN 19 N 0.02 -0.02 0.00 2.37 4.20 -1.58 -0.29 115.11 119.81 1zr4 h GLN 19 Ca 0.57 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.22 1zr4 h GLN 19 Cb 1.13 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1zr4 h GLN 19 CO -0.90 -0.01 -0.29 0.28 -0.67 0.00 0.00 178.83 177.24 1zr4 h VAL 20 N -0.02 0.62 -0.35 -0.54 2.07 -0.17 -0.58 116.25 117.27 1zr4 h VAL 20 Ca 0.02 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1zr4 h VAL 20 Cb 0.05 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1zr4 h VAL 20 CO -0.04 0.28 0.02 0.03 0.02 0.00 0.00 177.57 177.89 1zr4 h ARG 21 N 0.00 0.61 -0.76 1.57 3.08 0.70 -1.76 114.38 117.82 1zr4 h ARG 21 Ca -0.00 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 1zr4 h ARG 21 Cb 0.92 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1zr4 h ARG 21 CO 0.04 0.71 0.29 0.00 -1.07 0.00 0.00 179.97 179.94 1zr4 h ALA 22 N 0.88 0.98 0.00 0.04 0.00 -0.51 0.42 119.26 121.07 1zr4 h ALA 22 Ca 0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1zr4 h ALA 22 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1zr4 h ALA 22 CO 0.01 0.62 -0.39 -0.07 0.00 0.00 0.00 179.25 179.42 1zr4 h LEU 23 N 1.10 0.00 0.19 0.00 3.38 -1.13 -0.87 115.31 117.98 1zr4 h LEU 23 Ca 0.25 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.90 1zr4 h LEU 23 Cb 0.23 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.00 1zr4 h LEU 23 CO -0.02 0.39 -1.50 0.11 0.09 0.00 0.00 178.44 177.52 1zr4 h LYS 24 N 0.00 0.40 0.00 1.13 1.57 -0.93 -2.22 116.57 116.52 1zr4 h LYS 24 Ca -0.00 -0.69 -0.00 0.00 -1.87 0.00 0.00 60.65 58.09 1zr4 h LYS 24 Cb 0.79 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1zr4 h LYS 24 CO 0.05 1.31 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.79 1zr4 h ASP 25 N 0.11 0.00 0.88 0.86 3.45 -0.06 -2.32 116.42 119.34 1zr4 h ASP 25 Ca -0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.21 1zr4 h ASP 25 Cb 2.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.86 1zr4 h ASP 25 CO 0.22 0.01 -0.63 0.00 -1.57 0.00 0.00 179.24 177.27 1zr4 h ALA 26 N 1.99 0.58 0.00 3.45 0.00 -1.23 -3.48 119.26 120.57 1zr4 h ALA 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zr4 h ALA 26 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1zr4 h ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1zr4 n GLY 27 N 1.33 1.30 3.76 0.00 0.00 -0.87 -5.08 105.19 105.63 1zr4 n GLY 27 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 4.31 0.22 1.61 1.01 -0.84 -5.00 120.40 119.71 1zr4 s VAL 28 Ca 0.00 1.87 -0.25 0.00 0.00 0.00 0.00 61.98 63.60 1zr4 s VAL 28 Cb 0.00 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1zr4 s VAL 28 CO 0.00 0.48 0.82 -0.54 0.00 0.00 0.00 175.10 175.86 1zr4 s LYS 29 N -0.96 4.54 0.56 2.72 -0.14 -1.26 -4.46 119.74 120.74 1zr4 s LYS 29 Ca 0.39 1.17 0.28 0.00 -1.36 0.00 0.00 55.97 56.44 1zr4 s LYS 29 Cb -0.24 -3.09 1.47 0.00 -1.68 0.00 0.00 37.83 34.29 1zr4 s LYS 29 CO 0.28 0.47 1.97 0.00 -0.76 0.00 0.00 175.35 177.31 1zr4 h ALA 30 N 3.88 2.34 -1.10 5.17 0.00 -1.96 0.45 119.26 128.05 1zr4 h ALA 30 Ca -0.47 -0.02 0.39 0.00 0.00 0.00 0.00 54.91 54.81 1zr4 h ALA 30 Cb 1.20 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 1zr4 h ALA 30 CO 0.66 -0.68 0.65 -0.97 0.00 0.00 0.00 179.25 178.91 1zr4 h ASN 31 N 0.00 0.37 -0.13 0.00 -1.24 -2.01 -3.13 115.58 109.44 1zr4 h ASN 31 Ca 0.24 0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.44 1zr4 h ASN 31 Cb 1.08 0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.30 1zr4 h ASN 31 CO -0.00 -0.25 0.00 0.54 -1.29 0.00 0.00 177.43 176.43 1zr4 n ARG 32 N -5.00 2.89 -3.30 6.67 1.74 0.16 -4.93 116.66 114.88 1zr4 n ARG 32 Ca 0.35 -1.70 -0.44 0.00 -0.77 0.00 0.00 57.85 55.30 1zr4 n ARG 32 Cb 1.22 -1.10 -0.07 0.00 -1.02 0.00 0.00 32.46 31.48 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 -0.99 5.09 0.28 0.55 1.01 -1.18 -1.55 121.20 124.42 1zr4 s ILE 33 Ca 0.09 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1zr4 s ILE 33 Cb 0.05 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1zr4 s ILE 33 CO 0.06 -0.63 0.51 -0.36 0.00 0.00 0.00 174.94 174.52 1zr4 s PHE 34 N 2.05 3.49 -0.00 3.97 0.40 -1.04 -4.93 117.98 121.91 1zr4 s PHE 34 Ca 0.09 0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 56.87 1zr4 s PHE 34 Cb -0.21 -1.97 -0.00 0.00 0.51 0.00 0.00 43.02 41.34 1zr4 s PHE 34 CO 0.09 0.21 0.03 0.99 0.70 0.00 0.00 175.22 177.25 1zr4 s THR 35 N -2.10 0.05 0.00 0.64 2.01 -1.26 -2.75 115.64 112.24 1zr4 s THR 35 Ca 0.41 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 1zr4 s THR 35 Cb -0.10 -0.20 -0.00 0.00 0.01 0.00 0.00 72.50 72.20 1zr4 s THR 35 CO 0.32 -0.25 0.09 -1.81 -0.69 0.00 0.00 174.62 172.28 1zr4 s ASP 36 N -0.75 0.07 -0.25 3.53 1.01 -1.17 -3.79 116.67 115.32 1zr4 s ASP 36 Ca -0.08 -0.25 -0.04 0.00 0.71 0.00 0.00 52.55 52.89 1zr4 s ASP 36 Cb -0.05 0.18 0.09 0.00 1.01 0.00 0.00 42.92 44.15 1zr4 s ASP 36 CO -0.00 -0.33 0.11 -1.59 0.21 0.00 0.00 175.17 173.57 1zr4 s LYS 37 N -1.30 0.24 -0.37 8.23 -2.85 -1.26 -3.25 119.74 119.18 1zr4 s LYS 37 Ca -0.14 -0.44 -0.28 0.00 -1.00 0.00 0.00 55.97 54.11 1zr4 s LYS 37 Cb -0.08 -1.51 -0.02 0.00 -2.06 0.00 0.00 37.83 34.16 1zr4 s LYS 37 CO 0.01 -0.88 1.86 0.00 0.10 0.00 0.00 175.35 176.43 1zr4 s ALA 38 N 2.04 2.69 -0.20 0.59 0.00 -0.91 -4.85 121.76 121.13 1zr4 s ALA 38 Ca 0.06 0.14 0.27 0.00 0.00 0.00 0.00 51.96 52.43 1zr4 s ALA 38 Cb -0.16 -4.08 1.23 0.00 0.00 0.00 0.00 23.12 20.11 1zr4 s ALA 38 CO -0.25 -2.92 1.82 1.03 0.00 0.00 0.00 175.76 175.44 1zr4 h SER 39 N 13.64 0.00 0.00 0.00 0.87 -1.91 -3.43 113.55 122.71 1zr4 h SER 39 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1zr4 h SER 39 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1zr4 h SER 39 CO 1.06 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.97 1zr4 n GLY 40 N -0.30 0.67 3.86 5.77 0.00 -1.26 -5.10 105.19 108.83 1zr4 n GLY 40 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.58 5.18 0.00 1.61 0.01 -1.26 -4.98 113.70 111.68 1zr4 s SER 41 Ca 0.00 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1zr4 s SER 41 Cb 0.00 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.23 1zr4 s SER 41 CO 0.00 -1.52 0.22 -1.20 0.41 0.00 0.00 173.24 171.15 1zr4 n SER 42 N -3.13 0.00 -2.74 2.44 7.64 -1.26 -4.35 113.62 112.22 1zr4 n SER 42 Ca 0.07 0.22 -0.04 0.00 1.01 0.00 0.00 58.87 60.13 1zr4 n SER 42 Cb 0.57 -0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.70 1zr4 n SER 42 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1zr4 s SER 43 N -2.07 -1.13 -0.77 6.43 1.04 -1.26 -5.07 113.70 110.86 1zr4 s SER 43 Ca 0.00 -1.35 0.03 0.00 0.48 0.00 0.00 55.95 55.11 1zr4 s SER 43 Cb 0.00 1.48 0.30 0.00 0.10 0.00 0.00 66.02 67.90 1zr4 s SER 43 CO 0.00 -0.04 1.12 0.47 0.98 0.00 0.00 173.24 175.77 1zr4 n ASP 44 N 2.85 5.07 -4.14 7.02 8.00 -1.26 -4.93 116.55 129.16 1zr4 n ASP 44 Ca 0.16 -3.55 -0.40 0.00 0.71 0.00 0.00 54.79 51.71 1zr4 n ASP 44 Cb 0.58 -0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 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 0.49 3.24 -0.01 -1.24 1.85 -1.26 -4.83 116.66 114.89 1zr4 n ARG 45 Ca 0.32 -4.50 -0.12 0.00 -1.00 0.00 0.00 57.85 52.56 1zr4 n ARG 45 Cb 0.37 -2.47 0.02 0.00 -1.05 0.00 0.00 32.46 29.32 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 6.05 0.63 -0.51 2.89 1.79 -1.92 -2.99 116.57 122.51 1zr4 h LYS 46 Ca 0.18 -0.43 0.10 0.00 -2.18 0.00 0.00 60.65 58.32 1zr4 h LYS 46 Cb 0.80 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 31.42 1zr4 h LYS 46 CO 0.99 1.04 -0.03 0.78 -1.08 0.00 0.00 179.45 181.15 1zr4 h GLY 47 N 0.96 0.48 0.91 3.86 0.00 -1.90 -0.76 103.07 106.62 1zr4 h GLY 47 Ca -0.00 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1zr4 h GLY 47 CO 0.12 -0.16 -0.22 -2.00 0.00 0.00 0.00 176.54 174.28 1zr4 h LEU 48 N 0.08 -0.52 -0.90 3.11 5.85 -1.82 -1.22 115.31 119.89 1zr4 h LEU 48 Ca 0.25 -0.03 0.38 0.00 0.84 0.00 0.00 57.88 59.32 1zr4 h LEU 48 Cb 0.39 0.13 -0.16 0.00 0.37 0.00 0.00 40.66 41.39 1zr4 h LEU 48 CO -0.45 -0.30 0.48 0.47 -0.34 0.00 0.00 178.44 178.30 1zr4 n ASP 49 N -5.32 0.31 -0.04 1.25 8.00 -0.84 -0.81 116.55 119.10 1zr4 n ASP 49 Ca -0.11 1.50 -0.15 0.00 0.71 0.00 0.00 54.79 56.74 1zr4 n ASP 49 Cb 0.28 -0.73 -0.12 0.00 -0.02 0.00 0.00 41.12 40.52 1zr4 n ASP 49 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1zr4 h LEU 50 N 0.00 0.09 -0.54 0.64 7.12 -0.83 -3.31 115.31 118.48 1zr4 h LEU 50 Ca 0.76 -0.89 0.10 0.00 0.13 0.00 0.00 57.88 57.98 1zr4 h LEU 50 Cb 2.02 -0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 42.04 1zr4 h LEU 50 CO -0.70 0.97 0.07 0.25 -0.13 0.00 0.00 178.44 178.90 1zr4 h LEU 51 N -0.78 -0.08 0.00 2.25 5.85 0.26 -1.29 115.31 121.51 1zr4 h LEU 51 Ca -0.02 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1zr4 h LEU 51 Cb 1.00 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1zr4 h LEU 51 CO 0.02 -0.02 0.00 -2.11 -0.34 0.00 0.00 178.44 175.99 1zr4 n ARG 52 N -5.17 0.62 -0.05 1.25 1.85 -0.39 -0.94 116.66 113.84 1zr4 n ARG 52 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.89 1zr4 n ARG 52 Cb 0.29 -1.45 -0.15 0.00 -1.05 0.00 0.00 32.46 30.10 1zr4 n ARG 52 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1zr4 n MET 53 N -0.95 0.67 -0.70 2.89 1.56 -0.50 -4.61 117.12 115.48 1zr4 n MET 53 Ca 0.13 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.59 1zr4 n MET 53 Cb 0.06 -1.59 0.27 0.00 2.15 0.00 0.00 33.22 34.11 1zr4 n MET 53 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1zr4 n LYS 54 N -2.67 3.01 -4.80 2.12 4.81 -0.11 -4.98 118.16 115.53 1zr4 n LYS 54 Ca -0.21 -3.00 -0.30 0.00 -0.87 0.00 0.00 58.31 53.93 1zr4 n LYS 54 Cb 0.95 -1.97 -0.14 0.00 0.02 0.00 0.00 35.03 33.89 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 -2.96 2.17 0.28 3.15 -7.23 -1.22 -5.07 120.40 109.52 1zr4 s VAL 55 Ca 0.47 -1.47 0.09 0.00 -1.81 0.00 0.00 61.98 59.26 1zr4 s VAL 55 Cb 0.39 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 35.40 1zr4 s VAL 55 CO 0.09 0.31 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.53 1zr4 s LYS 56 N -1.41 1.60 0.07 4.82 1.02 -1.26 -5.07 119.74 119.51 1zr4 s LYS 56 Ca 0.12 -1.78 -0.36 0.00 0.02 0.00 0.00 55.97 53.97 1zr4 s LYS 56 Cb -0.10 -1.41 -0.18 0.00 -0.52 0.00 0.00 37.83 35.62 1zr4 s LYS 56 CO 0.03 0.15 1.04 -1.91 -0.92 0.00 0.00 175.35 173.74 1zr4 n GLU 57 N -0.60 0.35 0.00 1.68 2.13 -1.25 -1.84 120.64 121.11 1zr4 n GLU 57 Ca -0.06 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1zr4 n GLU 57 Cb 0.62 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.77 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 1.81 2.04 3.73 8.31 0.00 -0.25 -5.02 105.19 115.81 1zr4 n GLY 58 Ca 0.19 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.06 4.09 -0.05 1.61 1.01 -0.77 -4.40 116.67 118.22 1zr4 s ASP 59 Ca 0.00 2.17 0.02 0.00 0.71 0.00 0.00 52.55 55.45 1zr4 s ASP 59 Cb 0.00 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.38 1zr4 s ASP 59 CO 0.00 -2.33 -0.08 -0.69 0.21 0.00 0.00 175.17 172.28 1zr4 s VAL 60 N -2.35 0.80 -0.17 -1.27 1.01 -0.90 -3.48 120.40 114.04 1zr4 s VAL 60 Ca 0.69 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 1zr4 s VAL 60 Cb -0.24 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1zr4 s VAL 60 CO 0.49 0.28 0.27 -0.63 0.00 0.00 0.00 175.10 175.51 1zr4 s ILE 61 N 0.73 5.32 0.11 2.22 1.01 -0.79 -1.47 121.20 128.32 1zr4 s ILE 61 Ca -0.12 0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 1zr4 s ILE 61 Cb -0.14 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 1zr4 s ILE 61 CO 0.02 0.39 0.46 -0.76 0.00 0.00 0.00 174.94 175.05 1zr4 s LEU 62 N 0.49 4.34 -0.12 2.97 1.02 0.47 -1.54 118.68 126.30 1zr4 s LEU 62 Ca 0.15 0.89 -0.18 0.00 0.02 0.00 0.00 54.13 55.01 1zr4 s LEU 62 Cb -0.13 -3.12 0.04 0.00 0.02 0.00 0.00 46.19 43.01 1zr4 s LEU 62 CO 0.03 0.14 0.46 0.54 0.02 0.00 0.00 176.35 177.53 1zr4 s VAL 63 N -1.44 0.02 0.14 -1.59 0.11 -0.84 -1.79 120.40 114.99 1zr4 s VAL 63 Ca 0.35 -0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 59.21 1zr4 s VAL 63 Cb -0.14 -0.69 -0.14 0.00 -1.53 0.00 0.00 36.38 33.88 1zr4 s VAL 63 CO 0.19 -0.07 1.36 0.50 -3.33 0.00 0.00 175.10 173.75 1zr4 h LYS 64 N 4.66 0.58 -4.02 1.54 3.64 -1.86 -1.46 116.57 119.65 1zr4 h LYS 64 Ca -0.28 -0.49 -0.11 0.00 -1.27 0.00 0.00 60.65 58.50 1zr4 h LYS 64 Cb 1.17 0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.96 1zr4 h LYS 64 CO 0.28 1.11 -0.48 0.21 -2.27 0.00 0.00 179.45 178.30 1zr4 s LYS 65 N -3.63 0.85 0.16 1.90 2.36 -1.26 -1.84 119.74 118.27 1zr4 s LYS 65 Ca -0.08 -1.13 -0.15 0.00 -2.55 0.00 0.00 55.97 52.06 1zr4 s LYS 65 Cb 0.09 0.30 0.09 0.00 -1.05 0.00 0.00 37.83 37.26 1zr4 s LYS 65 CO 0.87 -0.25 1.75 -0.07 1.55 0.00 0.00 175.35 179.20 1zr4 h LEU 66 N 2.84 0.12 -1.68 5.43 3.38 -1.97 -3.18 115.31 120.25 1zr4 h LEU 66 Ca -0.34 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1zr4 h LEU 66 Cb 1.19 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1zr4 h LEU 66 CO 0.58 0.10 0.00 -0.90 0.09 0.00 0.00 178.44 178.31 1zr4 n ASP 67 N -5.03 1.42 -0.02 -0.43 5.75 -1.26 -5.68 116.55 111.31 1zr4 n ASP 67 Ca 0.02 -1.21 -0.05 0.00 -0.01 0.00 0.00 54.79 53.54 1zr4 n ASP 67 Cb 0.15 -0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 39.92 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 0.54 0.22 0.09 0.11 5.12 -1.20 -4.53 116.66 117.01 1zr4 n ARG 68 Ca 0.00 0.09 0.18 0.00 -1.93 0.00 0.00 57.85 56.19 1zr4 n ARG 68 Cb 0.25 -0.89 0.72 0.00 -1.16 0.00 0.00 32.46 31.38 1zr4 n ARG 68 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1zr4 h LEU 69 N -0.41 0.00 -7.60 0.55 5.85 -1.95 -3.43 115.31 108.32 1zr4 h LEU 69 Ca -0.06 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.40 1zr4 h LEU 69 Cb 0.57 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.29 1zr4 h LEU 69 CO -0.03 0.00 -0.71 -0.83 -0.34 0.00 0.00 178.44 176.52 1zr4 s GLY 70 N -4.01 0.05 -0.01 3.75 0.00 -1.26 -4.86 107.32 100.98 1zr4 s GLY 70 Ca -0.05 0.22 -0.14 0.00 0.00 0.00 0.00 44.72 44.74 1zr4 s GLY 70 CO 0.66 0.44 0.77 3.21 0.00 0.00 0.00 173.10 178.18 1zr4 h ARG 71 N 6.80 -0.50 -6.25 2.90 3.08 -1.87 -3.43 114.38 115.12 1zr4 h ARG 71 Ca -0.37 0.03 -0.61 0.00 0.07 0.00 0.00 59.98 59.10 1zr4 h ARG 71 Cb 1.16 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 31.18 1zr4 h ARG 71 CO 0.49 -0.33 -0.76 0.16 -1.07 0.00 0.00 179.97 178.45 1zr4 s ASP 72 N -3.96 3.59 0.48 7.04 1.47 -1.26 -5.04 116.67 118.99 1zr4 s ASP 72 Ca -0.08 -1.01 0.16 0.00 1.18 0.00 0.00 52.55 52.80 1zr4 s ASP 72 Cb 0.01 -0.30 1.13 0.00 -0.34 0.00 0.00 42.92 43.41 1zr4 s ASP 72 CO 0.23 0.05 2.05 0.74 0.68 0.00 0.00 175.17 178.92 1zr4 h THR 73 N 2.36 1.05 0.45 2.11 2.02 -1.92 -1.68 112.91 117.30 1zr4 h THR 73 Ca -0.41 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1zr4 h THR 73 Cb 1.25 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1zr4 h THR 73 CO 0.59 0.12 -0.21 0.00 0.37 0.00 0.00 175.52 176.38 1zr4 h ALA 74 N 1.88 -0.60 -0.56 6.16 0.00 -1.99 -2.24 119.26 121.90 1zr4 h ALA 74 Ca -0.00 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1zr4 h ALA 74 Cb 0.22 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 1zr4 h ALA 74 CO 0.02 -0.60 -0.55 0.22 0.00 0.00 0.00 179.25 178.33 1zr4 h ASP 75 N -1.07 -1.89 -0.89 0.00 -0.00 -1.96 -0.72 116.42 109.88 1zr4 h ASP 75 Ca -0.06 0.26 0.17 0.00 -0.00 0.00 0.00 57.03 57.40 1zr4 h ASP 75 Cb 0.54 0.80 -0.17 0.00 -0.00 0.00 0.00 39.33 40.50 1zr4 h ASP 75 CO 0.10 -0.36 -0.24 0.23 -0.00 0.00 0.00 179.24 178.97 1zr4 n MET 76 N -5.35 -0.10 -0.11 0.28 2.81 -0.64 -0.52 117.12 113.48 1zr4 n MET 76 Ca -0.02 1.39 -0.14 0.00 -1.81 0.00 0.00 57.70 57.13 1zr4 n MET 76 Cb 0.33 -2.07 -0.03 0.00 -0.71 0.00 0.00 33.22 30.73 1zr4 n MET 76 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1zr4 h ILE 77 N 0.00 1.28 0.25 2.02 2.04 -0.74 -2.93 117.51 119.43 1zr4 h ILE 77 Ca 0.41 -1.58 0.01 0.00 1.00 0.00 0.00 64.86 64.70 1zr4 h ILE 77 Cb 0.63 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 1zr4 h ILE 77 CO -0.91 0.52 -0.43 1.56 0.00 0.00 0.00 178.15 178.89 1zr4 h GLN 78 N 0.69 -0.72 -0.64 2.37 1.08 0.67 0.15 115.11 118.70 1zr4 h GLN 78 Ca 0.05 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.42 1zr4 h GLN 78 Cb 1.00 0.16 -0.12 0.00 -0.05 0.00 0.00 27.48 28.47 1zr4 h GLN 78 CO 0.10 -0.48 -0.23 -0.07 -0.95 0.00 0.00 178.83 177.19 1zr4 h LEU 79 N -0.75 -0.83 -0.20 1.46 3.38 -1.11 0.13 115.31 117.39 1zr4 h LEU 79 Ca -0.01 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1zr4 h LEU 79 Cb 0.72 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1zr4 h LEU 79 CO -0.17 -0.26 0.06 0.40 0.09 0.00 0.00 178.44 178.56 1zr4 h ILE 80 N -0.07 0.94 -0.59 1.22 2.04 -1.26 -1.82 117.51 117.98 1zr4 h ILE 80 Ca 0.29 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 66.16 1zr4 h ILE 80 Cb 0.52 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1zr4 h ILE 80 CO -0.69 0.03 0.29 0.50 0.00 0.00 0.00 178.15 178.28 1zr4 h LYS 81 N 0.15 0.52 0.70 2.37 3.64 0.12 0.41 116.57 124.49 1zr4 h LYS 81 Ca 0.09 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1zr4 h LYS 81 Cb 0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1zr4 h LYS 81 CO -0.10 0.35 -0.46 0.93 -2.27 0.00 0.00 179.45 177.90 1zr4 h GLU 82 N 0.54 -1.06 -0.79 1.90 4.39 -0.31 -2.27 114.58 116.98 1zr4 h GLU 82 Ca 0.27 0.07 0.14 0.00 0.34 0.00 0.00 59.36 60.19 1zr4 h GLU 82 Cb 0.22 0.24 -0.09 0.00 -0.10 0.00 0.00 28.75 29.01 1zr4 h GLU 82 CO -0.20 -0.71 0.35 0.74 -1.16 0.00 0.00 179.01 178.03 1zr4 h PHE 83 N -1.10 0.60 0.03 4.33 0.05 -1.17 -3.04 116.94 116.65 1zr4 h PHE 83 Ca -0.09 0.04 0.01 0.00 3.82 0.00 0.00 57.97 61.75 1zr4 h PHE 83 Cb 0.89 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 38.68 1zr4 h PHE 83 CO -0.12 0.10 -0.09 0.22 -0.18 0.00 0.00 178.31 178.24 1zr4 h ASP 84 N 0.50 -0.26 0.20 2.17 3.58 0.37 -0.38 116.42 122.61 1zr4 h ASP 84 Ca 0.43 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.92 1zr4 h ASP 84 Cb 0.64 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1zr4 h ASP 84 CO -0.39 -0.14 0.00 0.00 -2.88 0.00 0.00 179.24 175.83 1zr4 n ALA 85 N -2.31 1.88 0.59 -0.78 0.00 -0.91 -2.45 120.51 116.51 1zr4 n ALA 85 Ca -0.06 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.38 1zr4 n ALA 85 Cb 0.14 -1.24 0.07 0.00 0.00 0.00 0.00 19.45 18.42 1zr4 n ALA 85 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1zr4 n GLN 86 N -1.21 1.22 -1.71 0.00 7.27 -0.19 -5.00 117.38 117.76 1zr4 n GLN 86 Ca 0.08 -1.46 0.00 0.00 0.07 0.00 0.00 57.00 55.69 1zr4 n GLN 86 Cb 0.10 -1.30 0.00 0.00 2.41 0.00 0.00 30.24 31.45 1zr4 n GLN 86 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1zr4 n GLY 87 N 0.86 0.64 3.09 1.69 0.00 -0.97 -3.88 105.19 106.62 1zr4 n GLY 87 Ca 0.09 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.04 0.61 0.03 1.61 -7.23 -1.03 -1.09 120.40 111.26 1zr4 s VAL 88 Ca 0.00 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1zr4 s VAL 88 Cb 0.00 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 36.07 1zr4 s VAL 88 CO 0.00 -0.47 -0.05 -0.94 -0.31 0.00 0.00 175.10 173.33 1zr4 s SER 89 N -1.88 0.48 0.06 4.85 1.04 -1.23 -3.81 113.70 113.22 1zr4 s SER 89 Ca -0.05 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.87 1zr4 s SER 89 Cb -0.07 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1zr4 s SER 89 CO -0.00 -0.27 0.10 -0.63 0.98 0.00 0.00 173.24 173.42 1zr4 s ILE 90 N -1.47 4.73 -0.13 -1.02 1.01 -1.26 -1.89 121.20 121.17 1zr4 s ILE 90 Ca -0.13 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 1zr4 s ILE 90 Cb -0.10 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 39.14 1zr4 s ILE 90 CO -0.01 0.16 -0.01 -0.60 0.00 0.00 0.00 174.94 174.48 1zr4 s ARG 91 N -2.33 0.93 -0.28 2.79 3.52 -0.59 -1.02 118.95 121.98 1zr4 s ARG 91 Ca 0.30 -0.21 -0.16 0.00 -0.13 0.00 0.00 55.73 55.52 1zr4 s ARG 91 Cb -0.12 -1.57 -0.03 0.00 -1.56 0.00 0.00 34.95 31.66 1zr4 s ARG 91 CO 0.22 -0.41 0.44 -0.06 -0.81 0.00 0.00 175.30 174.68 1zr4 s PHE 92 N 1.83 3.25 0.00 5.12 0.40 -0.59 -2.00 117.98 125.99 1zr4 s PHE 92 Ca 0.03 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.82 1zr4 s PHE 92 Cb -0.14 -2.66 0.00 0.00 0.51 0.00 0.00 43.02 40.73 1zr4 s PHE 92 CO -0.07 -0.28 0.40 -0.89 0.70 0.00 0.00 175.22 175.08 1zr4 n ILE 93 N 5.16 0.00 -0.32 0.64 5.41 -0.55 -0.56 119.36 129.14 1zr4 n ILE 93 Ca -0.06 0.78 0.19 0.00 1.00 0.00 0.00 62.75 64.65 1zr4 n ILE 93 Cb 0.50 -1.54 0.39 0.00 -0.71 0.00 0.00 39.64 38.28 1zr4 n ILE 93 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1zr4 h ASP 94 N 0.00 0.41 0.58 4.38 5.19 -1.65 0.14 116.42 125.47 1zr4 h ASP 94 Ca 0.00 0.18 -0.12 0.00 -0.62 0.00 0.00 57.03 56.47 1zr4 h ASP 94 Cb 0.00 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1zr4 h ASP 94 CO 0.00 -0.08 -0.57 0.44 -3.12 0.00 0.00 179.24 175.92 1zr4 h ASP 95 N 0.36 0.00 -4.89 6.45 3.32 -1.73 -3.48 116.42 116.46 1zr4 h ASP 95 Ca 0.65 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.45 1zr4 h ASP 95 Cb 1.38 0.00 0.14 0.00 0.22 0.00 0.00 39.33 41.07 1zr4 h ASP 95 CO -0.58 0.57 -0.61 0.61 -1.72 0.00 0.00 179.24 177.50 1zr4 n GLY 96 N 0.11 -0.22 3.27 2.75 0.00 0.49 -5.05 105.19 106.55 1zr4 n GLY 96 Ca -0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.29 0.10 0.02 -0.61 -4.36 -1.18 -5.04 121.20 106.85 1zr4 s ILE 97 Ca 0.02 -0.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.62 1zr4 s ILE 97 Cb -0.00 -1.22 -0.02 0.00 1.25 0.00 0.00 42.46 42.47 1zr4 s ILE 97 CO 0.58 -0.44 -0.03 -0.94 0.24 0.00 0.00 174.94 174.35 1zr4 s SER 98 N -2.79 0.31 -0.03 4.36 1.04 -1.26 -1.54 113.70 113.78 1zr4 s SER 98 Ca 0.03 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.05 1zr4 s SER 98 Cb 0.03 0.07 0.10 0.00 0.10 0.00 0.00 66.02 66.32 1zr4 s SER 98 CO -0.11 -0.23 0.70 0.35 0.98 0.00 0.00 173.24 174.93 1zr4 n THR 99 N 1.83 0.44 -0.26 2.02 -2.24 -0.19 -4.01 114.28 111.87 1zr4 n THR 99 Ca -0.22 -0.18 -0.07 0.00 -2.27 0.00 0.00 64.05 61.32 1zr4 n THR 99 Cb 0.56 -0.52 0.05 0.00 -2.10 0.00 0.00 70.33 68.31 1zr4 n THR 99 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1zr4 h ASP 100 N 0.44 1.01 -1.71 3.42 -0.00 -1.93 -3.44 116.42 114.21 1zr4 h ASP 100 Ca 0.01 -0.19 -0.63 0.00 -0.00 0.00 0.00 57.03 56.22 1zr4 h ASP 100 Cb 0.74 -0.26 -0.13 0.00 -0.00 0.00 0.00 39.33 39.68 1zr4 h ASP 100 CO 0.07 0.93 -0.51 -0.94 -0.00 0.00 0.00 179.24 178.79 1zr4 s SER 101 N -6.30 3.50 -0.03 2.28 1.04 -1.26 -5.04 113.70 107.90 1zr4 s SER 101 Ca -0.12 -1.69 -0.23 0.00 0.48 0.00 0.00 55.95 54.38 1zr4 s SER 101 Cb 0.14 0.58 -0.17 0.00 0.10 0.00 0.00 66.02 66.67 1zr4 s SER 101 CO 0.83 -0.92 1.07 1.88 0.98 0.00 0.00 173.24 177.07 1zr4 h TYR 102 N 1.53 -0.20 -0.94 5.02 0.99 -1.93 -2.73 116.97 118.71 1zr4 h TYR 102 Ca -0.39 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.39 1zr4 h TYR 102 Cb 1.30 0.07 -0.06 0.00 1.00 0.00 0.00 36.73 39.03 1zr4 h TYR 102 CO 1.60 0.22 0.60 0.82 -0.00 0.00 0.00 178.16 181.41 1zr4 h ILE 103 N -0.74 1.08 -0.63 -2.88 5.03 -1.98 -2.96 117.51 114.43 1zr4 h ILE 103 Ca -0.02 -0.38 0.09 0.00 -0.12 0.00 0.00 64.86 64.43 1zr4 h ILE 103 Cb 0.52 -0.12 -0.11 0.00 -3.03 0.00 0.00 36.82 34.08 1zr4 h ILE 103 CO 0.04 0.20 -0.47 1.23 -0.68 0.00 0.00 178.15 178.47 1zr4 h GLY 104 N 1.10 -0.57 0.98 5.37 0.00 -1.74 -1.42 103.07 106.79 1zr4 h GLY 104 Ca 0.40 0.62 -0.00 0.00 0.00 0.00 0.00 47.33 48.35 1zr4 h GLY 104 CO -0.17 -0.13 -0.02 0.50 0.00 0.00 0.00 176.54 176.72 1zr4 h LYS 105 N -0.22 -0.05 -0.49 4.80 1.57 -1.33 -2.71 116.57 118.15 1zr4 h LYS 105 Ca 0.17 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1zr4 h LYS 105 Cb 0.55 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 1zr4 h LYS 105 CO -0.72 -0.01 -0.54 1.98 -0.57 0.00 0.00 179.45 179.59 1zr4 h MET 106 N -0.07 -0.30 -0.57 3.15 4.05 -1.26 0.38 114.93 120.31 1zr4 h MET 106 Ca -0.01 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.55 1zr4 h MET 106 Cb 0.06 0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 30.82 1zr4 h MET 106 CO 0.01 -0.20 -0.08 0.28 0.23 0.00 0.00 176.91 177.15 1zr4 h VAL 107 N -0.31 0.48 -0.01 -5.77 2.07 -1.22 0.11 116.25 111.61 1zr4 h VAL 107 Ca 0.08 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1zr4 h VAL 107 Cb 0.53 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1zr4 h VAL 107 CO -0.63 0.01 -0.47 0.58 0.02 0.00 0.00 177.57 177.08 1zr4 h VAL 108 N 0.04 0.00 -0.70 2.57 2.07 -1.08 -1.43 116.25 117.73 1zr4 h VAL 108 Ca 0.28 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.95 1zr4 h VAL 108 Cb 0.44 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.09 1zr4 h VAL 108 CO -0.54 0.00 0.04 0.74 0.02 0.00 0.00 177.57 177.83 1zr4 h THR 109 N -0.58 0.43 0.45 2.57 2.02 0.96 -1.03 112.91 117.73 1zr4 h THR 109 Ca 0.01 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1zr4 h THR 109 Cb 0.63 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1zr4 h THR 109 CO -0.32 0.03 -0.22 0.40 0.37 0.00 0.00 175.52 175.78 1zr4 h ILE 110 N 0.14 0.56 -0.44 3.11 2.04 -0.65 -1.94 117.51 120.33 1zr4 h ILE 110 Ca 0.38 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.30 1zr4 h ILE 110 Cb 0.65 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1zr4 h ILE 110 CO -0.58 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 177.48 1zr4 h LEU 111 N -0.62 -0.23 -0.73 1.44 3.38 -0.11 0.29 115.31 118.73 1zr4 h LEU 111 Ca -0.06 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1zr4 h LEU 111 Cb 0.47 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1zr4 h LEU 111 CO 0.10 -0.08 0.41 0.77 0.09 0.00 0.00 178.44 179.73 1zr4 h SER 112 N 0.09 0.90 -0.87 -0.43 4.64 -1.20 0.53 113.55 117.20 1zr4 h SER 112 Ca 0.22 -0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.49 1zr4 h SER 112 Cb 0.33 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 1zr4 h SER 112 CO -0.39 0.73 0.56 0.00 -0.87 0.00 0.00 176.83 176.86 1zr4 h ALA 113 N 1.21 1.16 -0.47 5.18 0.00 -0.20 0.45 119.26 126.58 1zr4 h ALA 113 Ca 0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1zr4 h ALA 113 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1zr4 h ALA 113 CO -0.04 0.40 -0.13 0.28 0.00 0.00 0.00 179.25 179.75 1zr4 h VAL 114 N 1.09 1.26 -0.23 0.00 2.07 -0.44 -2.70 116.25 117.30 1zr4 h VAL 114 Ca 0.35 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 1zr4 h VAL 114 Cb 0.02 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1zr4 h VAL 114 CO -0.12 0.43 -0.17 0.00 0.02 0.00 0.00 177.57 177.72 1zr4 h ALA 115 N 1.06 0.33 -0.83 1.67 0.00 0.26 -2.57 119.26 119.18 1zr4 h ALA 115 Ca 0.12 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1zr4 h ALA 115 Cb 0.66 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1zr4 h ALA 115 CO 0.05 0.24 0.53 0.37 0.00 0.00 0.00 179.25 180.43 1zr4 h GLN 116 N 0.22 0.97 0.31 0.00 4.15 -0.05 0.92 115.11 121.63 1zr4 h GLN 116 Ca 0.04 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1zr4 h GLN 116 Cb 0.70 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1zr4 h GLN 116 CO 0.05 0.64 -0.15 0.00 -1.93 0.00 0.00 178.83 177.44 1zr4 h ALA 117 N 1.36 -0.42 -0.69 3.38 0.00 -1.42 -0.73 119.26 120.76 1zr4 h ALA 117 Ca 0.34 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.27 1zr4 h ALA 117 Cb 0.06 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1zr4 h ALA 117 CO -0.13 -0.68 0.47 0.93 0.00 0.00 0.00 179.25 179.84 1zr4 h GLU 118 N -0.53 0.31 -0.36 0.00 3.07 -0.99 -1.77 114.58 114.32 1zr4 h GLU 118 Ca -0.04 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.66 1zr4 h GLU 118 Cb 0.40 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1zr4 h GLU 118 CO 0.07 0.21 -0.31 -0.09 -1.40 0.00 0.00 179.01 177.49 1zr4 h ARG 119 N 0.32 0.84 0.00 2.33 1.12 -0.26 -2.86 114.38 115.88 1zr4 h ARG 119 Ca 0.33 -0.43 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1zr4 h ARG 119 Cb 0.85 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.81 1zr4 h ARG 119 CO -0.09 1.07 0.00 1.04 -3.11 0.00 0.00 179.97 178.88 1zr4 n GLN 120 N -4.17 0.19 0.04 0.20 6.02 -0.33 -2.32 117.38 117.00 1zr4 n GLN 120 Ca -0.03 0.19 -0.22 0.00 -0.01 0.00 0.00 57.00 56.94 1zr4 n GLN 120 Cb 0.49 -1.73 -0.14 0.00 1.02 0.00 0.00 30.24 29.88 1zr4 n GLN 120 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1zr4 h ARG 121 N 0.00 0.32 -0.02 -1.09 1.12 -1.47 -3.17 114.38 110.07 1zr4 h ARG 121 Ca 0.00 -0.55 -0.03 0.00 -1.11 0.00 0.00 59.98 58.29 1zr4 h ARG 121 Cb 0.62 0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.78 1zr4 h ARG 121 CO 0.00 1.26 -0.15 0.82 -3.11 0.00 0.00 179.97 178.79 1zr4 h ILE 122 N -0.07 1.12 -0.11 1.20 1.08 -1.41 -2.16 117.51 117.16 1zr4 h ILE 122 Ca -0.34 -0.56 -0.21 0.00 -0.39 0.00 0.00 64.86 63.36 1zr4 h ILE 122 Cb 1.95 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 36.99 1zr4 h ILE 122 CO 0.12 0.16 -0.77 0.25 -0.69 0.00 0.00 178.15 177.23 1zr4 h LEU 123 N 0.02 0.73 -0.34 1.44 6.46 -1.54 -1.80 115.31 120.28 1zr4 h LEU 123 Ca 0.00 -0.48 -0.07 0.00 -0.12 0.00 0.00 57.88 57.22 1zr4 h LEU 123 Cb 0.29 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1zr4 h LEU 123 CO 0.02 1.25 -0.31 -0.61 -0.62 0.00 0.00 178.44 178.17 1zr4 h GLN 124 N 0.41 0.00 0.03 1.25 4.15 -1.45 -1.85 115.11 117.65 1zr4 h GLN 124 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1zr4 h GLN 124 Cb 1.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.06 1zr4 h GLN 124 CO 0.15 0.31 -0.01 -0.09 -1.93 0.00 0.00 178.83 177.26 1zr4 h ARG 125 N 0.00 -0.04 -0.93 1.69 9.65 -1.30 -2.11 114.38 121.34 1zr4 h ARG 125 Ca -0.00 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.07 1zr4 h ARG 125 Cb 1.11 0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.59 1zr4 h ARG 125 CO 0.04 0.66 0.51 1.15 2.80 0.00 0.00 179.97 185.13 1zr4 h THR 126 N -0.85 0.64 -0.04 0.20 2.02 -1.36 0.28 112.91 113.80 1zr4 h THR 126 Ca -0.00 -0.21 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 1zr4 h THR 126 Cb 0.72 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1zr4 h THR 126 CO 0.01 0.11 -0.51 -1.13 0.37 0.00 0.00 175.52 174.37 1zr4 h ASN 127 N 0.62 0.11 0.71 4.18 -0.73 -1.35 -1.83 115.58 117.29 1zr4 h ASN 127 Ca 0.55 -0.05 -0.24 0.00 1.87 0.00 0.00 56.30 58.43 1zr4 h ASN 127 Cb 0.90 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.45 1zr4 h ASN 127 CO -0.42 0.60 -1.08 -0.33 -0.37 0.00 0.00 177.43 175.83 1zr4 h GLU 128 N 0.08 0.18 -0.31 6.67 5.08 -0.65 -3.23 114.58 122.39 1zr4 h GLU 128 Ca 0.00 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1zr4 h GLU 128 Cb 0.93 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1zr4 h GLU 128 CO 0.07 1.09 0.09 0.78 -1.00 0.00 0.00 179.01 180.05 1zr4 h GLY 129 N 2.02 0.38 0.63 -3.84 0.00 0.11 -0.89 103.07 101.49 1zr4 h GLY 129 Ca -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1zr4 h GLY 129 CO 0.17 0.01 -0.00 0.07 0.00 0.00 0.00 176.54 176.79 1zr4 h ARG 130 N 0.22 0.02 -0.51 4.80 0.11 -1.50 -2.81 114.38 114.72 1zr4 h ARG 130 Ca 0.14 -0.01 0.07 0.00 0.10 0.00 0.00 59.98 60.29 1zr4 h ARG 130 Cb 0.13 -0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.11 1zr4 h ARG 130 CO -0.16 0.40 -0.48 0.37 0.10 0.00 0.00 179.97 180.20 1zr4 h GLN 131 N -0.35 -0.28 0.00 0.08 4.15 -1.55 0.25 115.11 117.41 1zr4 h GLN 131 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1zr4 h GLN 131 Cb 0.39 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1zr4 h GLN 131 CO 0.00 -0.19 0.00 -0.85 -1.93 0.00 0.00 178.83 175.86 1zr4 n GLU 132 N -5.39 0.74 -0.15 1.69 0.28 -0.35 -2.07 120.64 115.38 1zr4 n GLU 132 Ca -0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 1zr4 n GLU 132 Cb 0.34 -1.43 0.14 0.00 1.43 0.00 0.00 31.44 31.92 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 -0.93 2.37 -0.52 -1.84 0.00 0.01 -4.28 120.51 115.32 1zr4 n ALA 133 Ca 0.15 -2.03 0.10 0.00 0.00 0.00 0.00 53.44 51.67 1zr4 n ALA 133 Cb 0.07 -0.38 0.33 0.00 0.00 0.00 0.00 19.45 19.47 1zr4 n ALA 133 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1zr4 n MET 134 N -0.79 3.33 -0.09 0.00 2.81 -0.81 -1.81 117.12 119.77 1zr4 n MET 134 Ca 0.13 -2.75 -0.09 0.00 -1.81 0.00 0.00 57.70 53.18 1zr4 n MET 134 Cb 0.59 -1.74 -0.15 0.00 -0.71 0.00 0.00 33.22 31.21 1zr4 n MET 134 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1zr4 n ALA 135 N 1.18 1.56 -1.72 3.04 0.00 -1.26 -4.79 120.51 118.53 1zr4 n ALA 135 Ca 0.24 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1zr4 n ALA 135 Cb 0.77 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1zr4 n ALA 135 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1zr4 n LYS 136 N -2.68 0.00 0.00 0.00 0.00 -1.26 -4.98 118.16 109.24 1zr4 n LYS 136 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.01 1zr4 n LYS 136 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 36.13 1zr4 n LYS 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1zr4 n GLY 137 N 3.84 1.17 3.84 2.58 0.00 -1.26 -5.05 105.19 110.31 1zr4 n GLY 137 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 4.90 -0.35 1.61 1.01 -0.75 -4.63 120.40 122.19 1zr4 s VAL 138 Ca 0.00 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 1zr4 s VAL 138 Cb 0.00 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1zr4 s VAL 138 CO 0.00 0.12 0.81 -0.69 0.00 0.00 0.00 175.10 175.33 1zr4 s VAL 139 N -1.46 4.73 0.49 2.92 1.01 -1.26 -4.86 120.40 121.97 1zr4 s VAL 139 Ca 0.32 1.03 -0.03 0.00 0.00 0.00 0.00 61.98 63.29 1zr4 s VAL 139 Cb -0.12 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1zr4 s VAL 139 CO 0.25 -0.39 0.76 -0.36 0.00 0.00 0.00 175.10 175.35 1zr4 s PHE 140 N 3.11 3.36 0.00 5.22 2.99 -1.26 -5.01 117.98 126.38 1zr4 s PHE 140 Ca 0.33 0.53 0.00 0.00 0.00 0.00 0.00 56.93 57.78 1zr4 s PHE 140 Cb -0.13 -2.39 0.00 0.00 0.00 0.00 0.00 43.02 40.50 1zr4 s PHE 140 CO 0.16 -0.42 0.00 0.41 -0.00 0.00 0.00 175.22 175.37 1zr4 n GLY 141 N -2.25 1.16 3.77 4.36 0.00 -1.26 -4.98 105.19 106.00 1zr4 n GLY 141 Ca 0.01 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.12 3.92 0.10 1.61 3.52 -1.26 -4.96 118.95 119.76 1zr4 s ARG 142 Ca 0.00 2.27 -0.31 0.00 -0.13 0.00 0.00 55.73 57.56 1zr4 s ARG 142 Cb 0.00 -2.76 -0.07 0.00 -1.56 0.00 0.00 34.95 30.56 1zr4 s ARG 142 CO 0.00 -0.57 1.29 0.15 -0.81 0.00 0.00 175.30 175.36 1zr4 s LYS 143 N -2.27 4.38 0.29 5.12 1.02 -1.26 -4.97 119.74 122.05 1zr4 s LYS 143 Ca 0.57 1.93 -0.30 0.00 0.02 0.00 0.00 55.97 58.20 1zr4 s LYS 143 Cb -0.40 -3.28 -0.13 0.00 -0.52 0.00 0.00 37.83 33.49 1zr4 s LYS 143 CO 0.52 -0.32 1.36 0.54 -0.92 0.00 0.00 175.35 176.53 1zr4 n ARG 144 N 3.74 2.10 -0.00 1.68 1.74 -1.26 -4.97 116.66 119.69 1zr4 n ARG 144 Ca 0.10 0.74 -0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1zr4 n ARG 144 Cb 0.44 -2.37 -0.00 0.00 -1.02 0.00 0.00 32.46 29.51 1zr4 n ARG 144 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1zr4 n LYS 145 N 1.40 2.43 -2.53 5.56 5.02 -1.26 -5.06 118.16 123.72 1zr4 n LYS 145 Ca 0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 1zr4 n LYS 145 Cb 0.34 -1.01 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 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 -2.01 3.80 -0.91 -0.18 1.01 -1.26 -4.95 121.20 116.71 1zr4 s ILE 146 Ca -0.00 1.64 -0.24 0.00 0.00 0.00 0.00 60.65 62.04 1zr4 s ILE 146 Cb 0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1zr4 s ILE 146 CO 0.01 0.32 1.93 -0.62 0.00 0.00 0.00 174.94 176.58 1zr4 s ASP 147 N -0.41 5.19 0.43 3.58 2.15 -1.26 -4.83 116.67 121.52 1zr4 s ASP 147 Ca 0.47 -0.70 0.23 0.00 0.43 0.00 0.00 52.55 52.98 1zr4 s ASP 147 Cb -0.30 -2.56 0.91 0.00 -0.30 0.00 0.00 42.92 40.67 1zr4 s ASP 147 CO 0.36 -2.70 1.83 0.03 -0.17 0.00 0.00 175.17 174.52 1zr4 h ARG 148 N 11.25 0.00 0.00 4.34 3.08 -2.01 -2.13 114.38 128.90 1zr4 h ARG 148 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1zr4 h ARG 148 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1zr4 h ARG 148 CO 1.22 0.26 0.00 -0.25 -1.07 0.00 0.00 179.97 180.13 1zr4 n ASP 149 N -3.48 0.00 -0.01 7.04 9.92 -1.26 -2.58 116.55 126.18 1zr4 n ASP 149 Ca -0.00 -1.83 0.01 0.00 -0.53 0.00 0.00 54.79 52.44 1zr4 n ASP 149 Cb 0.43 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.89 1zr4 n ASP 149 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1zr4 n ALA 150 N -0.55 2.37 -0.08 2.24 0.00 -0.80 -4.23 120.51 119.45 1zr4 n ALA 150 Ca 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1zr4 n ALA 150 Cb 0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 0.03 0.41 -0.76 0.00 2.07 -1.52 -3.24 116.25 113.23 1zr4 h VAL 151 Ca 0.00 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.03 1zr4 h VAL 151 Cb 0.07 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1zr4 h VAL 151 CO 0.00 0.14 0.50 -0.07 0.02 0.00 0.00 177.57 178.16 1zr4 h LEU 152 N -1.00 0.84 -1.87 2.57 3.38 -1.83 0.82 115.31 118.22 1zr4 h LEU 152 Ca -0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1zr4 h LEU 152 Cb 0.82 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1zr4 h LEU 152 CO -0.09 0.59 0.00 -1.13 0.09 0.00 0.00 178.44 177.91 1zr4 h ASN 153 N 0.99 0.00 0.00 -0.43 -0.73 -1.74 -1.38 115.58 112.28 1zr4 h ASN 153 Ca 0.29 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 58.19 1zr4 h ASN 153 Cb -0.05 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.49 1zr4 h ASN 153 CO -0.09 0.00 -2.01 0.80 -0.37 0.00 0.00 177.43 175.76 1zr4 n MET 154 N -2.62 1.57 0.11 6.67 1.56 -0.59 -4.34 117.12 119.47 1zr4 n MET 154 Ca -0.01 -0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.24 1zr4 n MET 154 Cb 0.10 -1.38 -0.14 0.00 2.15 0.00 0.00 33.22 33.95 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 0.59 0.00 1.12 7.01 -0.47 -3.09 115.95 121.11 1zr4 h TRP 155 Ca -0.40 -0.43 0.00 0.00 2.11 0.00 0.00 58.89 60.17 1zr4 h TRP 155 Cb 1.90 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.94 1zr4 h TRP 155 CO 0.00 1.34 0.00 1.04 -2.79 0.00 0.00 178.44 178.03 1zr4 n GLN 156 N -3.56 0.16 -0.13 2.65 6.02 -0.56 -2.79 117.38 119.17 1zr4 n GLN 156 Ca -0.11 0.37 0.02 0.00 -0.01 0.00 0.00 57.00 57.27 1zr4 n GLN 156 Cb 1.04 -1.80 0.07 0.00 1.02 0.00 0.00 30.24 30.58 1zr4 n GLN 156 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1zr4 n GLN 157 N -2.10 1.57 0.00 -1.09 7.27 -1.17 -4.85 117.38 117.01 1zr4 n GLN 157 Ca 0.03 -0.58 0.00 0.00 0.07 0.00 0.00 57.00 56.52 1zr4 n GLN 157 Cb 0.24 -1.41 0.00 0.00 2.41 0.00 0.00 30.24 31.48 1zr4 n GLN 157 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1zr4 n GLY 158 N 0.40 2.05 3.75 1.69 0.00 -1.12 -5.04 105.19 106.92 1zr4 n GLY 158 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 3.09 0.10 0.99 1.43 -1.23 -5.05 118.68 118.01 1zr4 s LEU 159 Ca 0.00 1.94 0.06 0.00 -1.03 0.00 0.00 54.13 55.11 1zr4 s LEU 159 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1zr4 s LEU 159 CO 0.00 -2.13 -0.07 -0.83 0.23 0.00 0.00 176.35 173.55 1zr4 s GLY 160 N -3.05 1.83 0.42 -3.19 0.00 -1.26 -4.72 107.32 97.36 1zr4 s GLY 160 Ca 0.64 -1.21 0.18 0.00 0.00 0.00 0.00 44.72 44.33 1zr4 s GLY 160 CO 0.53 -1.19 1.86 0.00 0.00 0.00 0.00 173.10 174.30 1zr4 h ALA 161 N 3.56 2.21 -0.32 3.20 0.00 -1.99 -1.85 119.26 124.06 1zr4 h ALA 161 Ca -0.48 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1zr4 h ALA 161 Cb 1.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1zr4 h ALA 161 CO 0.54 -0.49 -0.08 0.77 0.00 0.00 0.00 179.25 179.99 1zr4 h SER 162 N 0.40 0.63 -0.35 0.00 0.02 -1.96 -2.17 113.55 110.12 1zr4 h SER 162 Ca 0.46 -0.37 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1zr4 h SER 162 Cb 1.15 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.45 1zr4 h SER 162 CO -0.17 0.85 -0.13 -0.74 -1.14 0.00 0.00 176.83 175.50 1zr4 h HIS 163 N 0.40 -0.31 -0.47 3.45 6.17 -1.77 -1.26 115.15 121.37 1zr4 h HIS 163 Ca 0.08 0.04 -0.01 0.00 0.71 0.00 0.00 60.37 61.18 1zr4 h HIS 163 Cb 0.58 0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.68 1zr4 h HIS 163 CO 0.05 -0.21 0.24 0.82 0.71 0.00 0.00 177.93 179.54 1zr4 h ILE 164 N -0.07 1.15 -0.02 6.26 2.04 -1.41 -0.26 117.51 125.20 1zr4 h ILE 164 Ca 0.17 -0.42 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 1zr4 h ILE 164 Cb 0.33 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1zr4 h ILE 164 CO -0.39 0.17 -0.73 0.77 0.00 0.00 0.00 178.15 177.97 1zr4 h SER 165 N 0.65 0.19 -0.00 1.72 4.64 -0.88 -3.00 113.55 116.86 1zr4 h SER 165 Ca 0.17 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1zr4 h SER 165 Cb 0.05 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1zr4 h SER 165 CO -0.02 0.85 -0.06 0.11 -0.87 0.00 0.00 176.83 176.83 1zr4 h LYS 166 N 0.10 0.05 0.00 4.77 1.57 -0.62 -2.99 116.57 119.46 1zr4 h LYS 166 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1zr4 h LYS 166 Cb 1.29 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1zr4 h LYS 166 CO 0.11 0.78 0.00 2.41 -0.57 0.00 0.00 179.45 182.18 1zr4 n THR 167 N -4.68 0.00 -2.04 -0.16 -1.04 -0.17 -4.30 114.28 101.89 1zr4 n THR 167 Ca -0.09 1.35 -0.41 0.00 -2.04 0.00 0.00 64.05 62.86 1zr4 n THR 167 Cb 0.40 -2.34 -0.02 0.00 -1.82 0.00 0.00 70.33 66.55 1zr4 n THR 167 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1zr4 s MET 168 N -2.41 4.30 -1.49 -2.82 -1.94 -1.13 -4.90 119.30 108.90 1zr4 s MET 168 Ca 0.00 2.29 -0.08 0.00 -1.71 0.00 0.00 55.69 56.19 1zr4 s MET 168 Cb 0.00 -3.06 0.01 0.00 2.01 0.00 0.00 34.83 33.78 1zr4 s MET 168 CO 0.00 -0.30 2.65 -1.71 -0.01 0.00 0.00 175.02 175.65 1zr4 n ASN 169 N 1.12 8.03 -4.66 3.03 4.05 -1.26 -4.43 115.26 121.14 1zr4 n ASN 169 Ca 0.02 -2.83 -0.32 0.00 0.45 0.00 0.00 54.58 51.90 1zr4 n ASN 169 Cb 0.41 -1.49 -0.06 0.00 1.23 0.00 0.00 39.78 39.87 1zr4 n ASN 169 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1zr4 n ILE 170 N 2.97 0.00 -3.70 -1.44 -5.35 -1.13 -5.08 119.36 105.64 1zr4 n ILE 170 Ca 0.69 -2.36 -0.37 0.00 -0.27 0.00 0.00 62.75 60.45 1zr4 n ILE 170 Cb 0.25 0.43 -0.06 0.00 -1.74 0.00 0.00 39.64 38.52 1zr4 n ILE 170 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1zr4 s ALA 171 N -2.86 3.76 0.57 -1.28 0.00 -1.26 -4.64 121.76 116.05 1zr4 s ALA 171 Ca 0.03 -0.49 0.26 0.00 0.00 0.00 0.00 51.96 51.76 1zr4 s ALA 171 Cb -0.00 -2.18 1.56 0.00 0.00 0.00 0.00 23.12 22.50 1zr4 s ALA 171 CO 0.02 0.45 2.12 0.07 0.00 0.00 0.00 175.76 178.41 1zr4 h ARG 172 N 5.33 0.00 -0.72 0.00 0.11 -1.90 0.41 114.38 117.61 1zr4 h ARG 172 Ca -0.50 0.00 0.16 0.00 0.10 0.00 0.00 59.98 59.74 1zr4 h ARG 172 Cb 1.21 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.16 1zr4 h ARG 172 CO 0.64 0.00 0.00 1.03 0.10 0.00 0.00 179.97 181.74 1zr4 h SER 173 N 0.00 -0.33 0.25 0.08 0.87 -1.97 -3.03 113.55 109.40 1zr4 h SER 173 Ca 0.08 0.19 -0.34 0.00 -1.23 0.00 0.00 61.79 60.49 1zr4 h SER 173 Cb 0.41 0.33 0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1zr4 h SER 173 CO -0.00 -0.16 -1.52 0.74 -0.53 0.00 0.00 176.83 175.36 1zr4 h THR 174 N 0.11 1.23 -0.58 2.23 2.02 -0.60 -3.09 112.91 114.22 1zr4 h THR 174 Ca 0.39 -2.66 0.08 0.00 0.77 0.00 0.00 66.41 64.99 1zr4 h THR 174 Cb 0.67 3.00 -0.10 0.00 -1.74 0.00 0.00 68.15 69.98 1zr4 h THR 174 CO -0.63 0.82 -0.46 0.58 0.37 0.00 0.00 175.52 176.19 1zr4 h VAL 175 N 0.13 0.07 -0.77 3.16 2.07 -1.34 0.19 116.25 119.76 1zr4 h VAL 175 Ca -0.27 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1zr4 h VAL 175 Cb 2.15 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1zr4 h VAL 175 CO 0.26 0.00 0.42 1.88 0.02 0.00 0.00 177.57 180.15 1zr4 h TYR 176 N -0.24 1.04 -0.55 1.57 -1.99 -1.64 -2.97 116.97 112.19 1zr4 h TYR 176 Ca 0.16 -0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.78 1zr4 h TYR 176 Cb 0.56 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 1zr4 h TYR 176 CO -0.73 0.72 -0.05 -0.22 -0.00 0.00 0.00 178.16 177.88 1zr4 h LYS 177 N 1.07 1.00 -0.71 4.88 3.64 -0.76 0.29 116.57 125.98 1zr4 h LYS 177 Ca 0.27 -0.34 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1zr4 h LYS 177 Cb 0.02 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 1zr4 h LYS 177 CO -0.04 1.02 0.43 0.28 -2.27 0.00 0.00 179.45 178.87 1zr4 h VAL 178 N 0.88 1.07 0.49 2.00 2.07 -0.65 -2.59 116.25 119.52 1zr4 h VAL 178 Ca 0.15 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1zr4 h VAL 178 Cb 0.60 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1zr4 h VAL 178 CO 0.04 0.15 -0.23 0.40 0.02 0.00 0.00 177.57 177.94 1zr4 h ILE 179 N 0.84 0.27 0.00 4.57 2.04 -1.28 -3.20 117.51 120.75 1zr4 h ILE 179 Ca 0.29 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1zr4 h ILE 179 Cb 0.06 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1zr4 h ILE 179 CO -0.13 0.05 0.00 0.59 0.00 0.00 0.00 178.15 178.66 1zr4 n ASN 180 N -5.24 0.00 -0.62 1.72 3.02 0.98 -1.31 115.26 113.81 1zr4 n ASN 180 Ca -0.10 -0.15 0.06 0.00 -0.03 0.00 0.00 54.58 54.36 1zr4 n ASN 180 Cb 0.30 -0.12 0.17 0.00 -0.61 0.00 0.00 39.78 39.52 1zr4 n ASN 180 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1zr4 n GLU 181 N -1.12 1.33 -2.78 3.52 2.13 -0.98 -4.76 120.64 117.98 1zr4 n GLU 181 Ca 0.07 -3.00 -0.11 0.00 0.66 0.00 0.00 57.16 54.79 1zr4 n GLU 181 Cb 0.06 -1.39 0.04 0.00 0.27 0.00 0.00 31.44 30.41 1zr4 n GLU 181 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1zr4 n SER 182 N -0.96 0.54 -0.39 4.31 3.41 -0.43 -4.99 113.62 115.10 1zr4 n SER 182 Ca 0.17 -2.79 0.05 0.00 -0.26 0.00 0.00 58.87 56.03 1zr4 n SER 182 Cb 0.73 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.58 1zr4 n SER 182 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47