#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5w s SER 2 N 0.00 5.77 0.03 1.61 0.15 -1.26 -4.97 113.70 115.04 1x5w s SER 2 Ca 0.00 2.06 0.03 0.00 0.70 0.00 0.00 55.95 58.74 1x5w s SER 2 Cb 0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1x5w s SER 2 CO 0.00 -1.68 -0.03 -0.55 1.20 0.00 0.00 173.24 172.17 1x5w s SER 3 N 7.01 4.84 0.00 5.45 0.15 -1.26 -5.08 113.70 124.81 1x5w s SER 3 Ca 0.95 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1x5w s SER 3 Cb -0.35 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1x5w s SER 3 CO 0.36 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.66 1x5w n GLY 4 N 1.20 4.38 2.76 9.45 0.00 -1.26 -5.11 105.19 116.61 1x5w n GLY 4 Ca -0.14 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1x5w n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5w s SER 5 N 1.22 3.79 0.30 1.61 0.01 -1.26 -5.10 113.70 114.26 1x5w s SER 5 Ca 0.00 -2.84 0.09 0.00 1.31 0.00 0.00 55.95 54.51 1x5w s SER 5 Cb 0.00 -1.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 1x5w s SER 5 CO 0.00 -0.24 0.05 -0.44 0.41 0.00 0.00 173.24 173.02 1x5w s SER 6 N 0.04 4.57 0.00 2.44 0.01 -1.26 -5.12 113.70 114.38 1x5w s SER 6 Ca 0.19 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1x5w s SER 6 Cb -0.22 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.23 1x5w s SER 6 CO -0.02 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1x5w n GLY 7 N -0.99 -1.88 3.37 3.44 0.00 -1.26 -5.15 105.19 102.72 1x5w n GLY 7 Ca -0.05 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 1x5w n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x5w n HIS 8 N 1.94 -1.78 -0.12 1.61 -0.00 -1.26 -4.91 115.22 110.70 1x5w n HIS 8 Ca 0.00 0.25 -0.13 0.00 -0.00 0.00 0.00 57.72 57.84 1x5w n HIS 8 Cb 0.00 -1.78 -0.02 0.00 -0.00 0.00 0.00 29.99 28.19 1x5w n HIS 8 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1x5w h PRO 9 N -0.99 0.94 -6.56 -0.41 0.13 -1.89 -3.44 132.00 119.78 1x5w h PRO 9 Ca -0.44 -0.50 -0.68 0.00 -0.87 0.00 0.00 66.00 63.51 1x5w h PRO 9 Cb 1.31 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.27 1x5w h PRO 9 CO 0.36 1.16 -0.78 -1.21 -0.23 0.00 0.00 178.00 177.30 1x5w s GLU 10 N -4.39 2.10 0.08 0.86 0.41 -1.23 -5.08 118.70 111.44 1x5w s GLU 10 Ca -0.11 -0.99 -0.02 0.00 -0.41 0.00 0.00 54.97 53.44 1x5w s GLU 10 Cb 0.11 -2.24 -0.04 0.00 -1.78 0.00 0.00 34.13 30.18 1x5w s GLU 10 CO 0.88 0.53 0.03 -1.59 -0.49 0.00 0.00 175.26 174.62 1x5w s LYS 11 N -1.72 0.74 -0.10 1.61 0.00 -1.26 -2.65 119.74 116.37 1x5w s LYS 11 Ca 0.17 -1.26 -0.15 0.00 0.00 0.00 0.00 55.97 54.73 1x5w s LYS 11 Cb -0.11 0.24 -0.05 0.00 0.00 0.00 0.00 37.83 37.91 1x5w s LYS 11 CO 0.08 -0.18 0.37 0.00 0.00 0.00 0.00 175.35 175.62 1x5w h SER 13 N 6.01 0.00 0.37 0.00 0.02 -2.01 -3.31 113.55 114.63 1x5w h SER 13 Ca -0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1x5w h SER 13 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1x5w h SER 13 CO 0.70 0.55 -0.18 -0.33 -1.14 0.00 0.00 176.83 176.44 1x5w h GLU 14 N 0.00 -0.48 0.00 3.45 4.39 -1.96 -3.48 114.58 116.50 1x5w h GLU 14 Ca -0.01 0.03 -0.34 0.00 0.34 0.00 0.00 59.36 59.39 1x5w h GLU 14 Cb 1.09 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.78 1x5w h GLU 14 CO 0.07 -0.23 -0.25 0.00 -1.16 0.00 0.00 179.01 177.45 1x5w n SER 16 N -1.22 3.23 -4.70 0.00 3.41 -1.26 -4.11 113.62 108.97 1x5w n SER 16 Ca -0.10 -2.60 -0.41 0.00 -0.26 0.00 0.00 58.87 55.50 1x5w n SER 16 Cb 0.33 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.62 1x5w n SER 16 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1x5w s TYR 17 N -1.42 3.56 0.05 7.33 6.14 -1.26 -4.88 117.35 126.86 1x5w s TYR 17 Ca 0.23 1.37 0.04 0.00 0.64 0.00 0.00 57.07 59.35 1x5w s TYR 17 Cb 0.19 -2.94 -0.02 0.00 0.42 0.00 0.00 41.96 39.61 1x5w s TYR 17 CO 0.05 -0.02 -0.12 -1.54 0.64 0.00 0.00 175.55 174.56 1x5w s SER 18 N 0.94 1.43 0.22 4.32 1.04 -1.26 0.44 113.70 120.83 1x5w s SER 18 Ca 0.42 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.36 1x5w s SER 18 Cb -0.18 -0.06 -0.05 0.00 0.10 0.00 0.00 66.02 65.83 1x5w s SER 18 CO 0.19 -0.05 0.06 0.00 0.98 0.00 0.00 173.24 174.42 1x5w h SER 20 N 2.52 0.05 -3.38 0.00 0.02 -1.99 -3.25 113.55 107.52 1x5w h SER 20 Ca -0.37 -0.82 -0.55 0.00 -0.84 0.00 0.00 61.79 59.20 1x5w h SER 20 Cb 1.23 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 1x5w h SER 20 CO 0.61 1.23 -0.04 -0.55 -1.14 0.00 0.00 176.83 176.94 1x5w s SER 21 N -6.53 6.87 0.03 3.07 0.15 -1.26 -4.73 113.70 111.29 1x5w s SER 21 Ca -0.22 1.15 -0.25 0.00 0.70 0.00 0.00 55.95 57.33 1x5w s SER 21 Cb 0.01 -2.32 -0.18 0.00 -1.71 0.00 0.00 66.02 61.82 1x5w s SER 21 CO 0.67 0.08 1.46 0.50 1.20 0.00 0.00 173.24 177.15 1x5w h LYS 22 N 3.50 -0.02 -0.85 5.44 3.64 -2.01 -2.94 116.57 123.32 1x5w h LYS 22 Ca -0.48 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.00 1x5w h LYS 22 Cb 1.19 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1x5w h LYS 22 CO 0.66 0.26 0.50 0.00 -2.27 0.00 0.00 179.45 178.59 1x5w h ALA 23 N 0.67 1.23 0.01 5.00 0.00 -2.01 -2.39 119.26 121.77 1x5w h ALA 23 Ca -0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1x5w h ALA 23 Cb 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1x5w h ALA 23 CO 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 179.25 179.13 1x5w h ALA 24 N 1.47 -0.32 -0.37 0.00 0.00 -1.95 -2.64 119.26 115.45 1x5w h ALA 24 Ca 0.42 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.40 1x5w h ALA 24 Cb 0.39 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 1x5w h ALA 24 CO -0.25 -0.74 -0.23 1.25 0.00 0.00 0.00 179.25 179.27 1x5w h LEU 25 N -0.38 -0.78 -0.95 0.00 5.85 -1.26 -1.21 115.31 116.58 1x5w h LEU 25 Ca 0.06 0.16 0.22 0.00 0.84 0.00 0.00 57.88 59.16 1x5w h LEU 25 Cb 0.46 0.39 -0.18 0.00 0.37 0.00 0.00 40.66 41.71 1x5w h LEU 25 CO -0.21 -0.26 -0.11 -0.09 -0.34 0.00 0.00 178.44 177.42 1x5w h ARG 26 N -0.18 0.01 0.41 1.25 2.43 -1.21 0.57 114.38 117.67 1x5w h ARG 26 Ca 0.18 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1x5w h ARG 26 Cb 0.46 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1x5w h ARG 26 CO -0.48 0.01 -0.39 0.82 -1.51 0.00 0.00 179.97 178.42 1x5w h ILE 27 N 0.01 0.20 -0.98 1.20 2.04 -1.10 -2.25 117.51 116.63 1x5w h ILE 27 Ca 0.51 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.68 1x5w h ILE 27 Cb 0.91 0.20 -0.15 0.00 -0.74 0.00 0.00 36.82 37.03 1x5w h ILE 27 CO -0.93 0.00 0.47 -0.74 0.00 0.00 0.00 178.15 176.94 1x5w h HIS 28 N -0.82 0.74 -1.12 1.37 -0.00 -0.73 0.35 115.15 114.94 1x5w h HIS 28 Ca -0.04 0.04 0.40 0.00 -0.00 0.00 0.00 60.37 60.78 1x5w h HIS 28 Cb 0.73 -0.17 -0.15 0.00 -0.00 0.00 0.00 27.41 27.82 1x5w h HIS 28 CO -0.21 -0.24 0.67 0.93 -0.00 0.00 0.00 177.93 179.08 1x5w h GLU 29 N 0.24 0.10 -1.01 5.26 5.08 -0.77 0.45 114.58 123.93 1x5w h GLU 29 Ca 0.71 -0.01 0.36 0.00 -1.00 0.00 0.00 59.36 59.42 1x5w h GLU 29 Cb 1.62 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.68 1x5w h GLU 29 CO -0.66 0.07 0.56 0.07 -1.00 0.00 0.00 179.01 178.06 1x5w h ARG 30 N 0.11 0.18 -1.00 2.33 0.11 -0.40 0.25 114.38 115.96 1x5w h ARG 30 Ca 0.81 -0.01 0.37 0.00 0.10 0.00 0.00 59.98 61.26 1x5w h ARG 30 Cb 2.24 -0.04 -0.18 0.00 1.11 0.00 0.00 29.97 33.10 1x5w h ARG 30 CO -0.60 0.12 0.37 1.51 0.10 0.00 0.00 179.97 181.48 1x5w n ILE 31 N -5.13 -0.42 -2.49 0.08 3.06 0.16 -2.25 119.36 112.37 1x5w n ILE 31 Ca 0.34 2.08 -0.43 0.00 -2.50 0.00 0.00 62.75 62.24 1x5w n ILE 31 Cb 1.12 -3.26 0.00 0.00 0.54 0.00 0.00 39.64 38.04 1x5w n ILE 31 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1x5w n HIS 32 N -5.33 3.95 -4.28 9.51 8.25 0.86 -4.94 115.22 123.24 1x5w n HIS 32 Ca 0.33 -3.02 -0.16 0.00 -0.26 0.00 0.00 57.72 54.61 1x5w n HIS 32 Cb 1.12 -2.21 -0.10 0.00 1.12 0.00 0.00 29.99 29.92 1x5w n HIS 32 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5w n THR 34 N -0.11 -0.00 -0.03 0.00 -1.04 -1.26 -4.60 114.28 107.23 1x5w n THR 34 Ca -0.10 -0.51 -0.07 0.00 -2.04 0.00 0.00 64.05 61.32 1x5w n THR 34 Cb 0.60 -1.90 -0.02 0.00 -1.82 0.00 0.00 70.33 67.19 1x5w n THR 34 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1x5w n ASP 35 N 17.78 1.46 -4.67 8.00 8.00 -1.26 -4.99 116.55 140.87 1x5w n ASP 35 Ca 0.48 0.23 -0.36 0.00 0.71 0.00 0.00 54.79 55.84 1x5w n ASP 35 Cb 0.41 -0.53 -0.09 0.00 -0.02 0.00 0.00 41.12 40.90 1x5w n ASP 35 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1x5w s ARG 36 N -2.44 4.11 0.01 -1.24 3.00 -1.26 -4.97 118.95 116.16 1x5w s ARG 36 Ca -0.16 -0.18 -0.23 0.00 0.00 0.00 0.00 55.73 55.16 1x5w s ARG 36 Cb 0.03 -3.52 -0.17 0.00 0.00 0.00 0.00 34.95 31.30 1x5w s ARG 36 CO 0.23 0.09 1.31 -1.00 0.00 0.00 0.00 175.30 175.93 1x5w h PRO 37 N 7.34 0.20 -6.61 3.54 0.13 -1.85 -3.44 132.00 131.31 1x5w h PRO 37 Ca -0.38 -0.11 -0.52 0.00 -0.87 0.00 0.00 66.00 64.13 1x5w h PRO 37 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1x5w h PRO 37 CO 0.68 0.63 0.42 -0.06 -0.23 0.00 0.00 178.00 179.44 1x5w s PHE 38 N -4.28 3.70 0.06 1.56 0.08 -1.21 -5.02 117.98 112.87 1x5w s PHE 38 Ca -0.15 1.69 0.02 0.00 0.12 0.00 0.00 56.93 58.61 1x5w s PHE 38 Cb 0.04 -3.17 -0.03 0.00 -0.57 0.00 0.00 43.02 39.29 1x5w s PHE 38 CO 0.72 -0.22 -0.07 0.15 -0.10 0.00 0.00 175.22 175.70 1x5w s LYS 39 N -0.16 0.61 0.00 0.44 1.02 -1.26 -2.10 119.74 118.29 1x5w s LYS 39 Ca 0.48 -0.93 -0.19 0.00 0.02 0.00 0.00 55.97 55.36 1x5w s LYS 39 Cb -0.26 -0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 36.76 1x5w s LYS 39 CO 0.32 0.02 0.53 0.00 -0.92 0.00 0.00 175.35 175.31 1x5w h ASN 41 N 5.33 0.00 0.04 0.00 4.21 -2.01 -3.35 115.58 119.80 1x5w h ASN 41 Ca -0.47 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 56.92 1x5w h ASN 41 Cb 1.20 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.42 1x5w h ASN 41 CO 0.67 0.41 -0.51 1.88 -1.29 0.00 0.00 177.43 178.60 1x5w h TYR 42 N 0.00 0.43 -3.18 1.19 -1.99 -1.97 -3.48 116.97 107.97 1x5w h TYR 42 Ca -0.05 -0.26 -0.52 0.00 2.00 0.00 0.00 58.73 59.89 1x5w h TYR 42 Cb 1.36 -0.04 -0.13 0.00 2.00 0.00 0.00 36.73 39.92 1x5w h TYR 42 CO 0.00 1.12 -0.52 0.00 -0.00 0.00 0.00 178.16 178.76 1x5w n SER 44 N -1.26 5.82 -4.68 0.00 3.41 -1.26 -4.16 113.62 111.49 1x5w n SER 44 Ca -0.03 -2.75 -0.36 0.00 -0.26 0.00 0.00 58.87 55.47 1x5w n SER 44 Cb 0.65 -1.21 -0.09 0.00 -0.26 0.00 0.00 64.21 63.29 1x5w n SER 44 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1x5w s PHE 45 N -0.51 3.35 -0.08 7.33 5.36 -1.26 -4.96 117.98 127.21 1x5w s PHE 45 Ca 0.38 0.30 0.03 0.00 -0.96 0.00 0.00 56.93 56.68 1x5w s PHE 45 Cb 0.23 -2.27 0.01 0.00 -0.34 0.00 0.00 43.02 40.65 1x5w s PHE 45 CO -0.05 0.12 -0.15 0.16 -1.46 0.00 0.00 175.22 173.84 1x5w s ASP 46 N 0.87 2.13 0.06 6.13 -4.77 -1.26 0.44 116.67 120.27 1x5w s ASP 46 Ca 0.09 -0.37 0.06 0.00 -3.30 0.00 0.00 52.55 49.04 1x5w s ASP 46 Cb -0.13 -0.98 -0.03 0.00 -1.09 0.00 0.00 42.92 40.69 1x5w s ASP 46 CO 0.03 0.07 -0.18 0.28 0.70 0.00 0.00 175.17 176.07 1x5w s THR 47 N 0.59 1.45 0.09 2.11 -1.32 -0.89 -4.96 115.64 112.71 1x5w s THR 47 Ca -0.16 -1.22 -0.16 0.00 -1.21 0.00 0.00 61.69 58.94 1x5w s THR 47 Cb -0.16 -1.29 -0.08 0.00 -1.51 0.00 0.00 72.50 69.45 1x5w s THR 47 CO 0.05 0.04 1.45 0.50 -2.21 0.00 0.00 174.62 174.45 1x5w h LYS 48 N 4.66 0.62 -6.23 7.08 3.64 -1.93 -3.21 116.57 121.21 1x5w h LYS 48 Ca -0.42 -0.28 -0.57 0.00 -1.27 0.00 0.00 60.65 58.11 1x5w h LYS 48 Cb 1.17 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1x5w h LYS 48 CO 0.43 0.87 -0.19 -0.65 -2.27 0.00 0.00 179.45 177.64 1x5w s GLN 49 N -4.55 3.82 0.11 1.90 -1.52 -1.26 -4.65 119.66 113.51 1x5w s GLN 49 Ca -0.13 0.26 -0.14 0.00 -1.95 0.00 0.00 55.36 53.40 1x5w s GLN 49 Cb 0.08 -2.91 -0.08 0.00 -0.22 0.00 0.00 33.01 29.89 1x5w s GLN 49 CO 0.80 0.49 1.43 -1.00 -0.25 0.00 0.00 175.29 176.77 1x5w h PRO 50 N 3.41 0.75 -0.94 2.91 0.13 -1.99 -3.15 132.00 133.12 1x5w h PRO 50 Ca -0.48 -0.39 0.14 0.00 -0.87 0.00 0.00 66.00 64.39 1x5w h PRO 50 Cb 1.19 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1x5w h PRO 50 CO 0.67 1.02 0.60 0.77 -0.23 0.00 0.00 178.00 180.83 1x5w h SER 51 N 0.51 0.77 -0.35 1.44 0.02 -1.98 0.70 113.55 114.66 1x5w h SER 51 Ca 0.05 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1x5w h SER 51 Cb 0.88 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1x5w h SER 51 CO 0.08 0.39 0.13 0.78 -1.14 0.00 0.00 176.83 177.06 1x5w h ASN 52 N 0.81 0.54 0.02 3.07 4.21 -1.96 -2.57 115.58 119.71 1x5w h ASN 52 Ca 0.47 -0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.91 1x5w h ASN 52 Cb 0.64 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1x5w h ASN 52 CO -0.24 0.53 -0.01 0.25 -1.29 0.00 0.00 177.43 176.67 1x5w h LEU 53 N 0.59 -0.02 -0.80 1.61 5.85 -0.94 -1.97 115.31 119.63 1x5w h LEU 53 Ca 0.14 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1x5w h LEU 53 Cb 0.18 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.09 1x5w h LEU 53 CO -0.01 0.01 -0.35 -1.54 -0.34 0.00 0.00 178.44 176.21 1x5w n SER 54 N -2.21 -0.59 -0.26 1.25 3.41 -0.66 0.15 113.62 114.71 1x5w n SER 54 Ca -0.00 1.40 -0.06 0.00 -0.26 0.00 0.00 58.87 59.95 1x5w n SER 54 Cb 0.01 -0.29 0.05 0.00 -0.26 0.00 0.00 64.21 63.73 1x5w n SER 54 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1x5w h LYS 55 N 0.00 0.99 -0.98 4.33 1.57 -1.60 -2.44 116.57 118.44 1x5w h LYS 55 Ca 0.24 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1x5w h LYS 55 Cb 0.44 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1x5w h LYS 55 CO -0.78 0.73 0.63 1.25 -0.57 0.00 0.00 179.45 180.71 1x5w h HIS 56 N 0.98 1.17 0.42 -1.35 2.76 0.22 0.37 115.15 119.72 1x5w h HIS 56 Ca 0.25 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1x5w h HIS 56 Cb 0.03 -0.39 -0.00 0.00 1.55 0.00 0.00 27.41 28.60 1x5w h HIS 56 CO -0.00 0.63 -0.25 0.52 -1.30 0.00 0.00 177.93 177.53 1x5w h MET 57 N 1.17 -0.61 -0.24 5.26 2.86 -0.18 -0.04 114.93 123.14 1x5w h MET 57 Ca 0.41 0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.99 1x5w h MET 57 Cb 0.11 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1x5w h MET 57 CO -0.15 -0.41 -0.27 0.87 1.06 0.00 0.00 176.91 178.01 1x5w h LYS 58 N -0.64 0.48 0.91 1.72 1.57 -1.29 0.80 116.57 120.11 1x5w h LYS 58 Ca -0.05 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 1x5w h LYS 58 Cb 0.52 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.81 1x5w h LYS 58 CO 0.06 0.71 -0.44 -0.22 -0.57 0.00 0.00 179.45 178.99 1x5w h LYS 59 N 0.42 -1.17 0.00 3.15 3.64 -0.01 -2.07 116.57 120.52 1x5w h LYS 59 Ca 0.06 0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1x5w h LYS 59 Cb 0.69 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1x5w h LYS 59 CO 0.05 -0.78 -0.19 0.74 -2.27 0.00 0.00 179.45 177.00 1x5w h PHE 60 N -1.24 0.00 -0.83 1.91 -1.00 -1.02 -3.38 116.94 111.38 1x5w h PHE 60 Ca -0.12 0.00 -0.49 0.00 2.81 0.00 0.00 57.97 60.17 1x5w h PHE 60 Cb 0.94 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.36 1x5w h PHE 60 CO -0.01 0.05 0.75 0.72 -1.61 0.00 0.00 178.31 178.21 1x5w n HIS 61 N -4.71 1.50 -0.02 -0.55 8.25 0.28 -4.58 115.22 115.38 1x5w n HIS 61 Ca -0.03 -2.06 -0.01 0.00 -0.26 0.00 0.00 57.72 55.36 1x5w n HIS 61 Cb 0.11 -1.55 -0.00 0.00 1.12 0.00 0.00 29.99 29.67 1x5w n HIS 61 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1x5w h GLY 62 N 4.56 0.00 -7.13 -1.41 0.00 -1.25 -3.39 103.07 94.45 1x5w h GLY 62 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.50 1x5w h GLY 62 CO 0.90 0.00 0.78 2.09 0.00 0.00 0.00 176.54 180.31 1x5w n ASP 63 N -3.02 1.95 -3.76 0.19 5.75 -1.26 -4.80 116.55 111.59 1x5w n ASP 63 Ca -0.01 -2.58 -0.13 0.00 -0.01 0.00 0.00 54.79 52.06 1x5w n ASP 63 Cb 0.03 -1.49 -0.10 0.00 -1.03 0.00 0.00 41.12 38.54 1x5w n ASP 63 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1x5w s MET 64 N 7.31 0.53 0.28 0.11 -1.94 -1.26 -5.18 119.30 119.16 1x5w s MET 64 Ca 0.73 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.83 1x5w s MET 64 Cb 0.01 0.24 0.00 0.00 2.01 0.00 0.00 34.83 37.10 1x5w s MET 64 CO 0.19 -0.11 0.03 0.45 -0.01 0.00 0.00 175.02 175.56 1x5w n SER 65 N 2.07 2.68 0.00 3.03 2.88 -1.26 -5.05 113.62 117.97 1x5w n SER 65 Ca -0.17 -2.21 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 1x5w n SER 65 Cb 0.57 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1x5w n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5w n GLY 66 N 1.60 0.66 0.25 0.46 0.00 -1.26 -5.02 105.19 101.89 1x5w n GLY 66 Ca -0.10 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.35 1x5w n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5w h PRO 67 N 0.00 0.00 -2.87 1.61 0.13 -2.08 -3.41 132.00 125.38 1x5w h PRO 67 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 1x5w h PRO 67 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 1x5w h PRO 67 CO 0.00 0.11 -0.60 0.45 -0.23 0.00 0.00 178.00 177.73 1x5w s SER 68 N -5.94 0.82 0.83 1.44 0.15 -1.26 -5.15 113.70 104.58 1x5w s SER 68 Ca 0.00 0.25 -0.12 0.00 0.70 0.00 0.00 55.95 56.79 1x5w s SER 68 Cb 0.10 0.42 0.09 0.00 -1.71 0.00 0.00 66.02 64.92 1x5w s SER 68 CO 0.58 -0.27 1.10 -0.44 1.20 0.00 0.00 173.24 175.42 1x5w s SER 69 N 2.34 4.17 0.00 5.45 0.01 -1.26 -5.26 113.70 119.15 1x5w s SER 69 Ca 0.03 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.60 1x5w s SER 69 Cb -0.13 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1x5w s SER 69 CO -0.08 -2.17 0.00 0.61 0.41 0.00 0.00 173.24 172.01