#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zm6 s ILE 3 N 0.00 2.30 0.26 4.25 1.09 -1.26 -5.02 121.20 122.82 2zm6 s ILE 3 Ca 0.00 0.25 0.11 0.00 -1.10 0.00 0.00 60.65 59.91 2zm6 s ILE 3 Cb 0.00 -3.14 -0.05 0.00 -1.06 0.00 0.00 42.46 38.21 2zm6 s ILE 3 CO 0.00 0.02 -0.15 0.42 -0.10 0.00 0.00 174.94 175.13 2zm6 s THR 4 N -1.28 2.74 0.13 2.92 -4.23 -1.26 -4.99 115.64 109.67 2zm6 s THR 4 Ca 0.63 -2.20 -0.28 0.00 -1.18 0.00 0.00 61.69 58.65 2zm6 s THR 4 Cb -0.40 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 2zm6 s THR 4 CO 0.50 -0.34 1.59 0.11 -0.54 0.00 0.00 174.62 175.94 2zm6 h LYS 5 N 2.33 -0.46 0.00 3.99 1.57 -1.98 0.43 116.57 122.45 2zm6 h LYS 5 Ca -0.42 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2zm6 h LYS 5 Cb 1.25 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2zm6 h LYS 5 CO 0.58 -0.31 0.00 0.39 -0.57 0.00 0.00 179.45 179.54 2zm6 n GLU 6 N -5.43 0.00 -0.18 3.15 1.02 -1.26 -0.48 120.64 117.46 2zm6 n GLU 6 Ca -0.04 0.84 -0.01 0.00 -0.02 0.00 0.00 57.16 57.92 2zm6 n GLU 6 Cb 0.35 -1.29 0.08 0.00 -0.02 0.00 0.00 31.44 30.57 2zm6 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2zm6 h GLU 7 N 0.00 0.25 0.55 3.49 5.08 -1.87 -2.35 114.58 119.74 2zm6 h GLU 7 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2zm6 h GLU 7 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2zm6 h GLU 7 CO 0.00 0.17 -0.41 -0.22 -1.00 0.00 0.00 179.01 177.54 2zm6 h LYS 8 N 0.26 -0.89 -0.86 2.33 3.64 0.13 -1.46 116.57 119.72 2zm6 h LYS 8 Ca 0.28 0.06 0.19 0.00 -1.27 0.00 0.00 60.65 59.91 2zm6 h LYS 8 Cb 0.39 0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 32.30 2zm6 h LYS 8 CO -0.35 -0.60 0.38 1.96 -2.27 0.00 0.00 179.45 178.57 2zm6 h GLN 9 N -0.93 0.45 -0.61 1.90 4.20 -0.64 0.82 115.11 120.30 2zm6 h GLN 9 Ca -0.07 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.73 2zm6 h GLN 9 Cb 0.77 -0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.36 2zm6 h GLN 9 CO 0.03 0.30 0.13 0.87 -0.67 0.00 0.00 178.83 179.48 2zm6 h LYS 10 N 0.46 0.25 -0.94 1.46 1.57 -1.03 -0.16 116.57 118.19 2zm6 h LYS 10 Ca 0.51 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.29 2zm6 h LYS 10 Cb 0.87 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 2zm6 h LYS 10 CO -0.47 0.17 0.62 0.28 -0.57 0.00 0.00 179.45 179.48 2zm6 h VAL 11 N 0.26 1.22 0.40 0.50 2.07 0.17 -1.48 116.25 119.39 2zm6 h VAL 11 Ca 0.32 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2zm6 h VAL 11 Cb 0.48 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2zm6 h VAL 11 CO -0.41 0.23 -0.19 0.40 0.02 0.00 0.00 177.57 177.62 2zm6 h ILE 12 N 1.25 0.00 -0.81 4.57 2.04 -0.12 -3.19 117.51 121.25 2zm6 h ILE 12 Ca 0.35 -0.09 0.15 0.00 1.00 0.00 0.00 64.86 66.26 2zm6 h ILE 12 Cb -0.11 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.83 2zm6 h ILE 12 CO -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 178.15 177.82 2zm6 n GLN 13 N -3.71 -0.12 0.20 2.37 6.02 -0.27 0.22 117.38 122.07 2zm6 n GLN 13 Ca -0.07 1.26 0.18 0.00 -0.01 0.00 0.00 57.00 58.36 2zm6 n GLN 13 Cb 0.21 -1.87 0.81 0.00 1.02 0.00 0.00 30.24 30.41 2zm6 n GLN 13 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2zm6 h GLU 14 N 0.00 0.00 0.00 -1.09 5.08 -1.30 -3.25 114.58 114.02 2zm6 h GLU 14 Ca 0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 2zm6 h GLU 14 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2zm6 h GLU 14 CO -0.82 0.00 -1.12 1.19 -1.00 0.00 0.00 179.01 177.26 2zm6 n PHE 15 N -3.51 0.00 -0.75 4.33 3.01 0.58 -5.10 117.46 116.02 2zm6 n PHE 15 Ca 0.03 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.15 2zm6 n PHE 15 Cb 0.45 -0.07 0.14 0.00 -0.01 0.00 0.00 39.48 39.98 2zm6 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2zm6 n ALA 16 N -1.84 -4.47 -0.10 4.37 0.00 -0.60 -4.76 120.51 113.11 2zm6 n ALA 16 Ca -0.02 -1.27 -0.18 0.00 0.00 0.00 0.00 53.44 51.97 2zm6 n ALA 16 Cb 0.33 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 2zm6 n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2zm6 n ARG 17 N -1.02 0.54 -3.72 0.00 3.00 -1.26 -4.90 116.66 109.30 2zm6 n ARG 17 Ca 0.00 0.56 -0.25 0.00 -0.00 0.00 0.00 57.85 58.17 2zm6 n ARG 17 Cb 0.65 -1.73 -0.17 0.00 0.00 0.00 0.00 32.46 31.20 2zm6 n ARG 17 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2zm6 s PHE 18 N -2.34 0.62 0.00 -0.14 0.40 -1.26 -5.07 117.98 110.19 2zm6 s PHE 18 Ca -0.26 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 2zm6 s PHE 18 Cb 0.05 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.77 2zm6 s PHE 18 CO 0.51 -0.43 0.00 -2.30 0.70 0.00 0.00 175.22 173.70 2zm6 n PRO 19 N 5.16 0.00 -1.46 0.24 -0.02 -1.26 -2.05 135.00 135.61 2zm6 n PRO 19 Ca -0.07 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.15 2zm6 n PRO 19 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.90 2zm6 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2zm6 n GLY 20 N 0.00 4.23 3.40 -1.23 0.00 -1.26 -4.92 105.19 105.42 2zm6 n GLY 20 Ca 0.00 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 2zm6 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2zm6 s ASP 21 N 0.57 3.78 -0.00 1.61 -1.08 -0.87 -5.03 116.67 115.64 2zm6 s ASP 21 Ca 0.60 -0.30 0.02 0.00 -0.52 0.00 0.00 52.55 52.35 2zm6 s ASP 21 Cb 0.36 -1.00 -0.03 0.00 -1.46 0.00 0.00 42.92 40.79 2zm6 s ASP 21 CO -0.19 0.28 0.05 0.35 0.52 0.00 0.00 175.17 176.18 2zm6 n THR 22 N 2.73 0.01 -3.82 1.71 -2.24 -1.26 -4.93 114.28 106.48 2zm6 n THR 22 Ca -0.17 -0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.33 2zm6 n THR 22 Cb 0.52 0.32 -0.17 0.00 -2.10 0.00 0.00 70.33 68.90 2zm6 n THR 22 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2zm6 s GLY 23 N -2.35 0.45 -0.22 3.38 0.00 -1.26 -4.90 107.32 102.42 2zm6 s GLY 23 Ca -0.01 -0.09 -0.27 0.00 0.00 0.00 0.00 44.72 44.35 2zm6 s GLY 23 CO 0.09 1.05 0.96 -0.56 0.00 0.00 0.00 173.10 174.64 2zm6 s SER 24 N 1.81 -0.47 0.03 1.64 0.01 -1.26 -5.05 113.70 110.42 2zm6 s SER 24 Ca 0.02 0.75 -0.06 0.00 1.31 0.00 0.00 55.95 57.97 2zm6 s SER 24 Cb -0.13 0.70 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 2zm6 s SER 24 CO -0.04 -0.27 0.74 0.41 0.41 0.00 0.00 173.24 174.48 2zm6 n THR 25 N 1.63 -0.14 -0.34 1.44 -1.04 -1.26 -1.02 114.28 113.55 2zm6 n THR 25 Ca -0.12 1.13 -0.05 0.00 -2.04 0.00 0.00 64.05 62.96 2zm6 n THR 25 Cb 0.57 -1.45 -0.03 0.00 -1.82 0.00 0.00 70.33 67.60 2zm6 n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2zm6 n GLU 26 N -3.32 -0.29 0.04 -2.82 4.71 -1.26 -0.62 120.64 117.08 2zm6 n GLU 26 Ca 0.00 1.30 -0.13 0.00 -0.01 0.00 0.00 57.16 58.33 2zm6 n GLU 26 Cb 0.05 -1.93 -0.08 0.00 -1.01 0.00 0.00 31.44 28.47 2zm6 n GLU 26 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2zm6 h VAL 27 N 0.00 0.00 -0.64 2.62 2.07 -1.37 -0.85 116.25 118.08 2zm6 h VAL 27 Ca 0.22 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.86 2zm6 h VAL 27 Cb 0.43 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.08 2zm6 h VAL 27 CO -0.83 0.00 -0.14 1.56 0.02 0.00 0.00 177.57 178.18 2zm6 h GLN 28 N -0.55 0.01 0.00 1.57 4.20 -0.04 0.21 115.11 120.51 2zm6 h GLN 28 Ca 0.01 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2zm6 h GLN 28 Cb 0.59 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2zm6 h GLN 28 CO -0.29 0.01 0.00 0.28 -0.67 0.00 0.00 178.83 178.15 2zm6 n VAL 29 N -5.42 0.00 -0.05 -0.54 0.31 0.03 -2.19 118.33 110.47 2zm6 n VAL 29 Ca 0.08 0.87 0.01 0.00 -0.01 0.00 0.00 64.34 65.29 2zm6 n VAL 29 Cb 0.33 -1.83 0.02 0.00 -0.91 0.00 0.00 33.84 31.46 2zm6 n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2zm6 n ALA 30 N -1.17 0.04 0.15 3.52 0.00 -0.36 0.37 120.51 123.06 2zm6 n ALA 30 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 2zm6 n ALA 30 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 2zm6 n ALA 30 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2zm6 h LEU 31 N 0.00 -0.91 -0.34 0.00 4.07 -0.43 -1.80 115.31 115.90 2zm6 h LEU 31 Ca 0.07 0.08 0.04 0.00 0.08 0.00 0.00 57.88 58.15 2zm6 h LEU 31 Cb 0.11 0.31 -0.07 0.00 1.08 0.00 0.00 40.66 42.09 2zm6 h LEU 31 CO -0.14 -0.40 -0.44 -0.07 -1.08 0.00 0.00 178.44 176.31 2zm6 h LEU 32 N -0.59 -1.48 -0.46 1.67 3.38 0.41 0.59 115.31 118.84 2zm6 h LEU 32 Ca -0.03 0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.27 2zm6 h LEU 32 Cb 0.53 0.61 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2zm6 h LEU 32 CO -0.08 -0.31 0.04 0.41 0.09 0.00 0.00 178.44 178.59 2zm6 n THR 33 N -4.79 -0.19 0.16 0.22 -1.04 -1.06 0.29 114.28 107.87 2zm6 n THR 33 Ca -0.03 1.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.92 2zm6 n THR 33 Cb 0.26 -1.48 -0.03 0.00 -1.82 0.00 0.00 70.33 67.27 2zm6 n THR 33 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2zm6 h LEU 34 N 0.00 -0.34 -0.80 -4.42 6.46 0.11 0.33 115.31 116.64 2zm6 h LEU 34 Ca 0.29 0.01 0.19 0.00 -0.12 0.00 0.00 57.88 58.25 2zm6 h LEU 34 Cb 0.63 0.09 -0.14 0.00 -0.73 0.00 0.00 40.66 40.51 2zm6 h LEU 34 CO -0.42 -0.23 0.02 0.03 -0.62 0.00 0.00 178.44 177.22 2zm6 h ARG 35 N -0.42 0.10 0.34 1.25 3.08 0.50 -0.10 114.38 119.13 2zm6 h ARG 35 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2zm6 h ARG 35 Cb 0.30 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2zm6 h ARG 35 CO 0.07 0.06 -0.42 0.82 -1.07 0.00 0.00 179.97 179.43 2zm6 h ILE 36 N 0.10 0.00 -0.91 2.04 2.04 0.12 0.44 117.51 121.34 2zm6 h ILE 36 Ca 0.45 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.55 2zm6 h ILE 36 Cb 0.82 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.76 2zm6 h ILE 36 CO -0.71 0.00 0.39 0.78 0.00 0.00 0.00 178.15 178.61 2zm6 h ASN 37 N -0.77 0.28 -0.59 1.72 -0.26 0.86 1.22 115.58 118.04 2zm6 h ASN 37 Ca -0.04 0.17 -0.05 0.00 -0.56 0.00 0.00 56.30 55.82 2zm6 h ASN 37 Cb 0.69 0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 38.09 2zm6 h ASN 37 CO -0.09 -0.06 0.18 0.03 -1.06 0.00 0.00 177.43 176.42 2zm6 h ARG 38 N 0.34 0.97 -0.17 0.81 2.47 -0.79 -0.11 114.38 117.89 2zm6 h ARG 38 Ca 0.59 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 59.08 2zm6 h ARG 38 Cb 1.19 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.36 2zm6 h ARG 38 CO -0.57 0.84 -0.03 -0.07 0.56 0.00 0.00 179.97 180.70 2zm6 h LEU 39 N 0.93 0.31 -0.28 3.04 3.38 0.34 -1.81 115.31 121.22 2zm6 h LEU 39 Ca 0.20 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.86 2zm6 h LEU 39 Cb 0.29 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 2zm6 h LEU 39 CO -0.00 0.59 -0.48 0.28 0.09 0.00 0.00 178.44 178.91 2zm6 h SER 40 N 0.03 -1.58 -0.53 -0.43 0.02 0.98 0.80 113.55 112.84 2zm6 h SER 40 Ca 0.04 0.20 0.12 0.00 -0.84 0.00 0.00 61.79 61.32 2zm6 h SER 40 Cb 0.44 0.64 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 2zm6 h SER 40 CO 0.01 -0.37 0.37 -0.08 -1.14 0.00 0.00 176.83 175.62 2zm6 h GLU 41 N -0.39 0.16 0.00 3.45 4.57 -1.02 -0.21 114.58 121.14 2zm6 h GLU 41 Ca 0.05 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 2zm6 h GLU 41 Cb 0.54 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2zm6 h GLU 41 CO -0.48 0.11 -0.43 1.25 -1.18 0.00 0.00 179.01 178.29 2zm6 h HIS 42 N 0.17 0.00 -0.00 0.92 2.76 0.71 -3.17 115.15 116.54 2zm6 h HIS 42 Ca 0.25 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2zm6 h HIS 42 Cb 0.76 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2zm6 h HIS 42 CO -0.00 0.43 -0.40 1.28 -1.30 0.00 0.00 177.93 177.94 2zm6 n LEU 43 N -3.24 0.47 0.07 0.26 4.77 0.23 -3.14 117.00 116.43 2zm6 n LEU 43 Ca 0.02 0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 2zm6 n LEU 43 Cb 0.68 -0.27 0.24 0.00 -2.33 0.00 0.00 43.42 41.74 2zm6 n LEU 43 CO 0.39 0.11 0.71 0.11 -1.33 0.00 0.00 177.39 177.38 2zm6 h LYS 44 N 0.12 0.32 -6.19 3.23 1.57 -1.42 -3.35 116.57 110.84 2zm6 h LYS 44 Ca 0.00 -0.13 -0.49 0.00 -1.87 0.00 0.00 60.65 58.16 2zm6 h LYS 44 Cb 0.50 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2zm6 h LYS 44 CO 0.00 0.61 -0.39 0.08 -0.57 0.00 0.00 179.45 179.18 2zm6 s VAL 45 N -4.33 2.87 -1.38 0.50 1.01 -1.19 -4.52 120.40 113.36 2zm6 s VAL 45 Ca -0.05 -1.33 -0.06 0.00 0.00 0.00 0.00 61.98 60.54 2zm6 s VAL 45 Cb 0.14 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.51 2zm6 s VAL 45 CO 0.77 -0.04 0.89 1.41 0.00 0.00 0.00 175.10 178.13 2zm6 n HIS 46 N -1.53 -2.20 0.27 5.22 8.25 -1.26 -4.78 115.22 119.19 2zm6 n HIS 46 Ca 0.03 0.90 0.18 0.00 -0.26 0.00 0.00 57.72 58.56 2zm6 n HIS 46 Cb 0.61 -4.42 0.97 0.00 1.12 0.00 0.00 29.99 28.27 2zm6 n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2zm6 h LYS 47 N -2.06 0.00 -0.03 -0.41 1.57 -1.80 0.48 116.57 114.33 2zm6 h LYS 47 Ca -0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2zm6 h LYS 47 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2zm6 h LYS 47 CO 0.59 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.10 2zm6 n LYS 48 N -2.75 1.30 -2.44 3.15 5.02 -1.26 -4.51 118.16 116.67 2zm6 n LYS 48 Ca -0.02 -0.45 -0.43 0.00 -2.02 0.00 0.00 58.31 55.39 2zm6 n LYS 48 Cb 0.06 -1.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.64 2zm6 n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2zm6 n ASP 49 N -0.42 5.30 0.25 4.39 -0.08 0.16 -4.78 116.55 121.37 2zm6 n ASP 49 Ca 0.19 -3.16 0.13 0.00 -1.51 0.00 0.00 54.79 50.45 2zm6 n ASP 49 Cb 0.21 -1.44 0.79 0.00 2.34 0.00 0.00 41.12 43.01 2zm6 n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 2zm6 h HIS 50 N 5.69 0.00 0.45 -0.67 3.86 -1.85 -3.14 115.15 119.49 2zm6 h HIS 50 Ca 0.36 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 2zm6 h HIS 50 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 2zm6 h HIS 50 CO 1.21 0.00 -0.22 0.45 0.86 0.00 0.00 177.93 180.24 2zm6 h HIS 51 N 0.00 -0.56 -0.71 2.45 3.86 -1.98 -3.10 115.15 115.11 2zm6 h HIS 51 Ca 0.03 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.39 2zm6 h HIS 51 Cb 0.15 0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 2zm6 h HIS 51 CO 0.00 -0.35 0.49 0.77 0.86 0.00 0.00 177.93 179.70 2zm6 h SER 52 N -0.76 0.24 -0.04 2.45 0.02 -1.99 0.13 113.55 113.59 2zm6 h SER 52 Ca -0.06 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2zm6 h SER 52 Cb 0.46 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 2zm6 h SER 52 CO 0.10 0.12 0.19 -0.74 -1.14 0.00 0.00 176.83 175.36 2zm6 h HIS 53 N 0.26 0.00 0.06 3.45 6.17 -1.49 0.23 115.15 123.83 2zm6 h HIS 53 Ca 0.35 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.43 2zm6 h HIS 53 Cb 1.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.93 2zm6 h HIS 53 CO -0.00 0.00 -0.03 -0.09 0.71 0.00 0.00 177.93 178.52 2zm6 h ARG 54 N 0.00 -0.07 -0.50 5.26 2.43 -0.76 -2.79 114.38 117.95 2zm6 h ARG 54 Ca 0.02 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.34 2zm6 h ARG 54 Cb 0.40 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2zm6 h ARG 54 CO -0.00 0.51 0.57 0.78 -1.51 0.00 0.00 179.97 180.32 2zm6 h GLY 55 N -0.90 0.00 0.49 2.80 0.00 -0.67 1.40 103.07 106.19 2zm6 h GLY 55 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2zm6 h GLY 55 CO 0.01 0.00 -0.06 -2.00 0.00 0.00 0.00 176.54 174.49 2zm6 h LEU 56 N 0.00 -0.15 -0.18 3.11 5.85 -0.87 0.38 115.31 123.46 2zm6 h LEU 56 Ca 0.24 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2zm6 h LEU 56 Cb 1.37 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 2zm6 h LEU 56 CO -0.00 0.34 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.33 2zm6 h LEU 57 N -0.69 -0.14 -0.46 2.25 4.07 0.20 0.22 115.31 120.76 2zm6 h LEU 57 Ca -0.02 0.05 0.09 0.00 0.08 0.00 0.00 57.88 58.09 2zm6 h LEU 57 Cb 0.51 0.10 -0.09 0.00 1.08 0.00 0.00 40.66 42.26 2zm6 h LEU 57 CO 0.03 -0.05 -0.17 0.24 -1.08 0.00 0.00 178.44 177.41 2zm6 h MET 58 N 0.01 -0.07 -0.36 1.13 2.86 -0.64 1.01 114.93 118.87 2zm6 h MET 58 Ca 0.09 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2zm6 h MET 58 Cb 0.12 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2zm6 h MET 58 CO -0.17 -0.05 0.21 0.52 1.06 0.00 0.00 176.91 178.47 2zm6 h MET 59 N -0.07 0.41 -0.70 1.72 2.86 -0.05 -1.02 114.93 118.07 2zm6 h MET 59 Ca 0.22 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2zm6 h MET 59 Cb 0.41 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2zm6 h MET 59 CO -0.51 0.27 0.46 0.28 1.06 0.00 0.00 176.91 178.47 2zm6 h VAL 60 N 0.42 1.18 0.75 -2.22 2.07 0.29 -0.19 116.25 118.55 2zm6 h VAL 60 Ca 0.14 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2zm6 h VAL 60 Cb 0.01 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2zm6 h VAL 60 CO -0.07 0.17 -0.50 1.23 0.02 0.00 0.00 177.57 178.42 2zm6 h GLY 61 N 0.95 -1.35 -0.83 2.17 0.00 0.14 -1.90 103.07 102.25 2zm6 h GLY 61 Ca 0.26 0.56 0.14 0.00 0.00 0.00 0.00 47.33 48.29 2zm6 h GLY 61 CO -0.06 -0.44 -0.36 -1.61 0.00 0.00 0.00 176.54 174.07 2zm6 h GLN 62 N -1.19 -0.04 -0.06 4.80 5.75 -0.69 0.29 115.11 123.98 2zm6 h GLN 62 Ca -0.10 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2zm6 h GLN 62 Cb 0.96 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.47 2zm6 h GLN 62 CO 0.08 -0.03 -0.48 -0.09 -2.65 0.00 0.00 178.83 175.65 2zm6 h ARG 63 N -0.04 -0.54 -0.98 1.69 2.43 -0.83 -0.51 114.38 115.59 2zm6 h ARG 63 Ca 0.33 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.66 2zm6 h ARG 63 Cb 0.59 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.18 2zm6 h ARG 63 CO -0.91 -0.36 0.62 -0.09 -1.51 0.00 0.00 179.97 177.72 2zm6 h ARG 64 N -0.56 0.92 -0.90 0.20 2.43 0.22 0.12 114.38 116.81 2zm6 h ARG 64 Ca 0.02 -0.06 0.19 0.00 -0.81 0.00 0.00 59.98 59.32 2zm6 h ARG 64 Cb 0.63 -0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 29.90 2zm6 h ARG 64 CO -0.36 0.61 0.59 -0.09 -1.51 0.00 0.00 179.97 179.21 2zm6 h ARG 65 N 0.95 0.47 0.07 0.20 9.65 0.11 0.20 114.38 126.02 2zm6 h ARG 65 Ca 0.48 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 59.20 2zm6 h ARG 65 Cb 0.52 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 29.00 2zm6 h ARG 65 CO -0.25 0.31 -0.59 -0.07 2.80 0.00 0.00 179.97 182.17 2zm6 h LEU 66 N 0.48 0.40 -0.21 3.80 3.38 -0.35 -3.16 115.31 119.65 2zm6 h LEU 66 Ca 0.47 -0.88 0.04 0.00 0.09 0.00 0.00 57.88 57.60 2zm6 h LEU 66 Cb 1.06 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 2zm6 h LEU 66 CO -0.20 1.24 -0.02 -0.07 0.09 0.00 0.00 178.44 179.49 2zm6 h LEU 67 N -0.38 -0.12 -1.99 1.67 3.38 -0.45 0.17 115.31 117.59 2zm6 h LEU 67 Ca -0.09 0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.17 2zm6 h LEU 67 Cb 1.39 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 2zm6 h LEU 67 CO 0.11 -0.03 0.62 -0.09 0.09 0.00 0.00 178.44 179.14 2zm6 h ARG 68 N 0.04 0.00 -0.16 1.13 2.43 -1.08 0.80 114.38 117.54 2zm6 h ARG 68 Ca 0.10 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 2zm6 h ARG 68 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2zm6 h ARG 68 CO -0.18 0.00 -0.31 -0.92 -1.51 0.00 0.00 179.97 177.04 2zm6 h TYR 69 N 0.00 0.61 0.44 2.20 3.20 -1.00 -2.24 116.97 120.18 2zm6 h TYR 69 Ca 0.40 -0.22 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2zm6 h TYR 69 Cb 1.64 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 2zm6 h TYR 69 CO 0.00 0.94 -0.27 -0.07 -1.64 0.00 0.00 178.16 177.12 2zm6 h LEU 70 N 0.11 -0.68 -1.85 2.82 -0.00 0.21 0.11 115.31 116.03 2zm6 h LEU 70 Ca 0.01 0.04 0.13 0.00 -0.00 0.00 0.00 57.88 58.06 2zm6 h LEU 70 Cb 0.91 0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 2zm6 h LEU 70 CO 0.07 -0.43 0.54 -0.61 -0.00 0.00 0.00 178.44 178.01 2zm6 h GLN 71 N -0.68 0.00 0.01 1.13 4.15 -0.98 -1.82 115.11 116.91 2zm6 h GLN 71 Ca -0.05 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 2zm6 h GLN 71 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2zm6 h GLN 71 CO 0.05 0.00 -0.01 -0.09 -1.93 0.00 0.00 178.83 176.85 2zm6 h ARG 72 N 0.00 -0.02 0.00 1.69 2.43 -0.55 -3.41 114.38 114.52 2zm6 h ARG 72 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2zm6 h ARG 72 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2zm6 h ARG 72 CO -0.00 -0.01 0.00 0.39 -1.51 0.00 0.00 179.97 178.84 2zm6 n GLU 73 N -2.16 0.00 -3.24 0.20 -0.58 0.26 -4.70 120.64 110.43 2zm6 n GLU 73 Ca -0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 2zm6 n GLU 73 Cb 0.01 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 30.80 2zm6 n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2zm6 s ASP 74 N -2.04 6.37 0.07 1.62 -1.08 -1.20 -4.93 116.67 115.47 2zm6 s ASP 74 Ca 0.00 0.24 -0.23 0.00 -0.52 0.00 0.00 52.55 52.04 2zm6 s ASP 74 Cb 0.00 -2.27 -0.14 0.00 -1.46 0.00 0.00 42.92 39.04 2zm6 s ASP 74 CO 0.00 -0.39 1.63 1.55 0.52 0.00 0.00 175.17 178.48 2zm6 h PRO 75 N 8.26 0.07 -0.54 4.34 0.13 -1.80 -2.95 132.00 139.51 2zm6 h PRO 75 Ca -0.28 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.93 2zm6 h PRO 75 Cb 1.13 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.15 2zm6 h PRO 75 CO 0.75 0.17 -0.17 -1.91 -0.23 0.00 0.00 178.00 176.61 2zm6 n GLU 76 N -4.99 -0.08 -0.03 0.86 4.07 -1.26 0.17 120.64 119.38 2zm6 n GLU 76 Ca -0.06 0.84 -0.11 0.00 -0.06 0.00 0.00 57.16 57.77 2zm6 n GLU 76 Cb 0.09 -1.25 -0.05 0.00 -0.06 0.00 0.00 31.44 30.17 2zm6 n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2zm6 h ARG 77 N 0.00 0.21 0.21 5.31 3.08 -1.90 -1.51 114.38 119.77 2zm6 h ARG 77 Ca 0.23 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 2zm6 h ARG 77 Cb 0.36 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2zm6 h ARG 77 CO -0.55 0.22 -0.29 -0.92 -1.07 0.00 0.00 179.97 177.37 2zm6 h TYR 78 N 0.14 -0.80 -0.84 3.04 3.20 0.17 0.77 116.97 122.64 2zm6 h TYR 78 Ca 0.05 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.05 2zm6 h TYR 78 Cb 0.08 0.32 -0.13 0.00 1.54 0.00 0.00 36.73 38.54 2zm6 h TYR 78 CO -0.04 -0.36 -0.45 0.00 -1.64 0.00 0.00 178.16 175.68 2zm6 h ARG 79 N -0.51 -0.08 -0.42 1.82 3.08 -1.18 0.34 114.38 117.42 2zm6 h ARG 79 Ca -0.02 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2zm6 h ARG 79 Cb 0.46 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2zm6 h ARG 79 CO -0.08 -0.05 0.25 0.00 -1.07 0.00 0.00 179.97 179.02 2zm6 h ALA 80 N 0.93 0.53 -0.86 0.04 0.00 -0.98 -3.01 119.26 115.90 2zm6 h ALA 80 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2zm6 h ALA 80 Cb 0.54 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2zm6 h ALA 80 CO -0.87 -0.08 0.51 1.25 0.00 0.00 0.00 179.25 180.06 2zm6 h LEU 81 N 0.50 1.04 0.87 0.00 6.46 0.43 -2.26 115.31 122.34 2zm6 h LEU 81 Ca 0.17 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2zm6 h LEU 81 Cb 0.01 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 39.69 2zm6 h LEU 81 CO -0.08 0.81 -0.42 0.40 -0.62 0.00 0.00 178.44 178.53 2zm6 h ILE 82 N 1.19 0.13 -0.90 4.05 2.04 -0.83 -1.99 117.51 121.21 2zm6 h ILE 82 Ca 0.31 -0.03 0.17 0.00 1.00 0.00 0.00 64.86 66.31 2zm6 h ILE 82 Cb -0.04 0.14 -0.17 0.00 -0.74 0.00 0.00 36.82 36.02 2zm6 h ILE 82 CO -0.06 0.00 -0.26 -0.08 0.00 0.00 0.00 178.15 177.75 2zm6 h GLU 83 N -1.18 -0.01 -0.07 2.37 4.81 -1.47 1.93 114.58 120.95 2zm6 h GLU 83 Ca -0.12 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2zm6 h GLU 83 Cb 0.89 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2zm6 h GLU 83 CO 0.20 -0.01 0.06 -0.22 -0.73 0.00 0.00 179.01 178.31 2zm6 h LYS 84 N -0.01 0.00 0.00 1.92 3.64 -1.29 -2.94 116.57 117.89 2zm6 h LYS 84 Ca 0.40 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.41 2zm6 h LYS 84 Cb 0.64 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 2zm6 h LYS 84 CO -0.92 0.00 -2.36 1.28 -2.27 0.00 0.00 179.45 175.18 2zm6 n LEU 85 N -4.09 2.58 -0.80 5.20 4.77 0.34 -5.09 117.00 119.92 2zm6 n LEU 85 Ca -0.01 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2zm6 n LEU 85 Cb 0.16 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2zm6 n LEU 85 CO 0.30 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 2zm6 n GLY 86 N 2.07 -0.08 0.00 -0.72 0.00 0.57 -5.09 105.19 101.94 2zm6 n GLY 86 Ca -0.44 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2zm6 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2zm6 n ILE 87 N -0.26 0.00 -1.73 -0.61 5.41 -1.26 -4.94 119.36 115.98 2zm6 n ILE 87 Ca 0.00 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.41 2zm6 n ILE 87 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2zm6 n ILE 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2zm6 n ARG 88 N 0.00 2.60 0.00 0.38 0.63 -1.26 -5.14 116.66 113.87 2zm6 n ARG 88 Ca 0.00 -3.01 0.11 0.00 -0.92 0.00 0.00 57.85 54.04 2zm6 n ARG 88 Cb 0.00 -2.21 0.68 0.00 0.45 0.00 0.00 32.46 31.38 2zm6 n ARG 88 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53