#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5w h SER 2 N 0.00 -0.47 0.00 1.61 0.87 -2.11 -3.42 113.55 110.04 1x5w h SER 2 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1x5w h SER 2 Cb 0.00 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1x5w h SER 2 CO 0.00 -0.27 -0.78 -1.20 -0.53 0.00 0.00 176.83 174.05 1x5w n SER 3 N -5.29 0.30 0.00 6.23 7.64 -1.26 -5.17 113.62 116.07 1x5w n SER 3 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1x5w n SER 3 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1x5w n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5w n GLY 4 N 2.71 -0.61 3.53 0.23 0.00 -1.26 -5.05 105.19 104.73 1x5w n GLY 4 Ca 0.00 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.65 4.22 -0.35 1.61 0.01 -1.26 -5.09 113.70 111.20 1x5w s SER 5 Ca 0.00 -0.28 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 1x5w s SER 5 Cb 0.00 -0.85 0.02 0.00 0.21 0.00 0.00 66.02 65.39 1x5w s SER 5 CO 0.00 0.27 1.15 -0.44 0.41 0.00 0.00 173.24 174.63 1x5w s SER 6 N -1.43 6.80 0.00 2.44 0.01 -1.26 -4.76 113.70 115.50 1x5w s SER 6 Ca 0.16 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.39 1x5w s SER 6 Cb -0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1x5w s SER 6 CO 0.07 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1x5w n GLY 7 N 4.19 -1.37 3.08 3.44 0.00 -1.26 -5.18 105.19 108.09 1x5w n GLY 7 Ca 0.13 0.57 -0.19 0.00 0.00 0.00 0.00 46.02 46.52 1x5w n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x5w s HIS 8 N 0.00 1.02 0.21 1.61 4.02 -1.26 -5.03 115.29 115.86 1x5w s HIS 8 Ca 0.00 -0.25 0.24 0.00 1.02 0.00 0.00 55.06 56.07 1x5w s HIS 8 Cb 0.00 -0.64 1.03 0.00 -1.02 0.00 0.00 32.58 31.95 1x5w s HIS 8 CO 0.00 -0.00 1.88 -1.00 1.02 0.00 0.00 174.74 176.63 1x5w h PRO 9 N 5.51 0.00 -6.46 8.40 0.13 -1.84 -3.44 132.00 134.31 1x5w h PRO 9 Ca -0.34 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.18 1x5w h PRO 9 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 1x5w h PRO 9 CO 0.47 0.22 -0.83 -1.21 -0.23 0.00 0.00 178.00 176.42 1x5w s GLU 10 N -3.79 1.31 0.04 0.86 0.41 -1.05 -5.07 118.70 111.41 1x5w s GLU 10 Ca -0.00 -1.33 -0.10 0.00 -0.41 0.00 0.00 54.97 53.12 1x5w s GLU 10 Cb 0.11 -1.63 0.01 0.00 -1.78 0.00 0.00 34.13 30.83 1x5w s GLU 10 CO 0.63 0.37 0.21 0.15 -0.49 0.00 0.00 175.26 176.13 1x5w s LYS 11 N -2.25 0.71 -0.22 1.61 1.02 -1.26 -2.84 119.74 116.51 1x5w s LYS 11 Ca 0.13 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.38 1x5w s LYS 11 Cb -0.09 0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 37.47 1x5w s LYS 11 CO 0.06 -0.21 0.17 0.00 -0.92 0.00 0.00 175.35 174.45 1x5w h SER 13 N 7.20 0.00 0.24 0.00 0.87 -2.02 -3.30 113.55 116.55 1x5w h SER 13 Ca -0.39 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 1x5w h SER 13 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1x5w h SER 13 CO 0.70 0.46 -0.12 -0.33 -0.53 0.00 0.00 176.83 177.01 1x5w h GLU 14 N 0.00 -0.31 0.00 2.24 4.39 -1.96 -3.48 114.58 115.46 1x5w h GLU 14 Ca -0.00 0.02 -0.29 0.00 0.34 0.00 0.00 59.36 59.42 1x5w h GLU 14 Cb 1.10 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.75 1x5w h GLU 14 CO 0.06 0.05 -0.24 0.00 -1.16 0.00 0.00 179.01 177.72 1x5w n SER 16 N -1.71 5.36 -4.59 0.00 7.64 -1.26 -4.25 113.62 114.80 1x5w n SER 16 Ca -0.04 -2.69 -0.39 0.00 1.01 0.00 0.00 58.87 56.77 1x5w n SER 16 Cb 0.32 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 62.44 1x5w n SER 16 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1x5w s TYR 17 N -0.94 3.24 -0.03 1.43 6.14 -1.26 -4.95 117.35 120.97 1x5w s TYR 17 Ca 0.16 0.29 0.04 0.00 0.64 0.00 0.00 57.07 58.21 1x5w s TYR 17 Cb 0.13 -2.54 -0.00 0.00 0.42 0.00 0.00 41.96 39.96 1x5w s TYR 17 CO 0.00 -0.24 -0.16 -1.12 0.64 0.00 0.00 175.55 174.68 1x5w s SER 18 N 1.68 2.01 0.34 4.32 0.01 -1.26 0.28 113.70 121.07 1x5w s SER 18 Ca 0.13 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.11 1x5w s SER 18 Cb -0.16 -0.49 -0.07 0.00 0.21 0.00 0.00 66.02 65.52 1x5w s SER 18 CO 0.10 0.15 0.05 0.00 0.41 0.00 0.00 173.24 173.96 1x5w n SER 20 N -0.73 1.85 -4.69 0.00 2.88 -1.26 -2.53 113.62 109.14 1x5w n SER 20 Ca -0.03 0.51 -0.42 0.00 -1.33 0.00 0.00 58.87 57.60 1x5w n SER 20 Cb 0.67 -0.90 -0.03 0.00 -0.75 0.00 0.00 64.21 63.20 1x5w n SER 20 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5w s SER 21 N -6.34 7.24 0.13 -3.46 0.01 -1.26 -4.54 113.70 105.48 1x5w s SER 21 Ca -0.23 1.58 -0.28 0.00 1.31 0.00 0.00 55.95 58.33 1x5w s SER 21 Cb 0.05 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 1x5w s SER 21 CO 0.41 -0.43 1.60 0.50 0.41 0.00 0.00 173.24 175.72 1x5w h LYS 22 N 7.08 -0.48 -0.94 12.44 1.63 -1.99 -1.16 116.57 133.14 1x5w h LYS 22 Ca -0.33 0.03 0.22 0.00 -0.85 0.00 0.00 60.65 59.73 1x5w h LYS 22 Cb 1.16 0.11 -0.12 0.00 -0.60 0.00 0.00 32.23 32.78 1x5w h LYS 22 CO 0.84 -0.32 0.49 0.00 -3.45 0.00 0.00 179.45 177.02 1x5w h ALA 23 N 0.17 1.58 0.29 5.00 0.00 -2.01 -1.53 119.26 122.76 1x5w h ALA 23 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1x5w h ALA 23 Cb 0.60 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1x5w h ALA 23 CO -0.32 -0.28 -0.41 0.00 0.00 0.00 0.00 179.25 178.24 1x5w h ALA 24 N 1.70 -0.82 -0.46 0.00 0.00 -1.62 -2.86 119.26 115.21 1x5w h ALA 24 Ca 0.59 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.47 1x5w h ALA 24 Cb 1.09 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 19.41 1x5w h ALA 24 CO -0.49 -1.01 -0.39 1.25 0.00 0.00 0.00 179.25 178.62 1x5w h LEU 25 N -0.75 -1.30 -0.91 0.00 5.85 -0.95 0.47 115.31 117.72 1x5w h LEU 25 Ca -0.01 0.22 0.31 0.00 0.84 0.00 0.00 57.88 59.24 1x5w h LEU 25 Cb 0.71 0.59 -0.17 0.00 0.37 0.00 0.00 40.66 42.17 1x5w h LEU 25 CO -0.14 -0.34 0.25 -1.14 -0.34 0.00 0.00 178.44 176.73 1x5w n ARG 26 N -5.42 -0.06 0.23 1.25 0.63 -1.06 0.35 116.66 112.58 1x5w n ARG 26 Ca 0.01 1.31 -0.15 0.00 -0.92 0.00 0.00 57.85 58.09 1x5w n ARG 26 Cb 0.35 -2.20 -0.08 0.00 0.45 0.00 0.00 32.46 30.97 1x5w n ARG 26 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1x5w h ILE 27 N 0.00 0.59 -0.94 5.15 2.04 -0.83 -2.91 117.51 120.62 1x5w h ILE 27 Ca 0.66 -0.17 0.19 0.00 1.00 0.00 0.00 64.86 66.53 1x5w h ILE 27 Cb 1.57 0.68 -0.11 0.00 -0.74 0.00 0.00 36.82 38.22 1x5w h ILE 27 CO -0.78 0.03 0.52 -0.74 0.00 0.00 0.00 178.15 177.18 1x5w h HIS 28 N -0.66 0.90 -1.38 1.37 -0.00 0.06 0.13 115.15 115.57 1x5w h HIS 28 Ca -0.06 0.04 0.40 0.00 -0.00 0.00 0.00 60.37 60.75 1x5w h HIS 28 Cb 0.48 -0.26 -0.07 0.00 -0.00 0.00 0.00 27.41 27.57 1x5w h HIS 28 CO -0.02 0.16 0.97 0.93 -0.00 0.00 0.00 177.93 179.97 1x5w h GLU 29 N 0.64 0.05 -0.99 5.26 5.08 -1.02 0.41 114.58 124.02 1x5w h GLU 29 Ca 0.54 -0.00 0.23 0.00 -1.00 0.00 0.00 59.36 59.13 1x5w h GLU 29 Cb 0.87 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.03 1x5w h GLU 29 CO -0.41 0.03 0.64 0.00 -1.00 0.00 0.00 179.01 178.27 1x5w h ARG 30 N 0.05 0.44 -1.28 2.33 3.08 -0.82 0.94 114.38 119.12 1x5w h ARG 30 Ca 0.69 -0.03 0.37 0.00 0.07 0.00 0.00 59.98 61.08 1x5w h ARG 30 Cb 2.59 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 32.46 1x5w h ARG 30 CO -0.08 0.29 0.88 0.97 -1.07 0.00 0.00 179.97 180.96 1x5w h ILE 31 N 0.45 0.32 -1.65 2.04 2.10 -0.35 0.12 117.51 120.54 1x5w h ILE 31 Ca 0.55 -0.04 -0.67 0.00 1.08 0.00 0.00 64.86 65.78 1x5w h ILE 31 Cb 1.30 0.20 -0.23 0.00 -1.09 0.00 0.00 36.82 36.99 1x5w h ILE 31 CO -0.26 0.02 0.82 1.41 -1.08 0.00 0.00 178.15 179.06 1x5w n HIS 32 N -4.36 2.46 -4.21 2.19 8.25 0.33 -4.95 115.22 114.92 1x5w n HIS 32 Ca 0.30 -2.18 -0.25 0.00 -0.26 0.00 0.00 57.72 55.33 1x5w n HIS 32 Cb 1.29 -1.26 -0.08 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.17 3.17 -0.06 0.00 -1.04 -1.26 -4.70 114.28 109.22 1x5w n THR 34 Ca -0.02 -3.24 -0.07 0.00 -2.04 0.00 0.00 64.05 58.67 1x5w n THR 34 Cb 0.64 -2.31 -0.06 0.00 -1.82 0.00 0.00 70.33 66.78 1x5w n THR 34 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1x5w h ASP 35 N 8.14 0.00 -3.36 8.00 5.19 -1.94 -3.45 116.42 129.00 1x5w h ASP 35 Ca 0.38 -0.48 -0.64 0.00 -0.62 0.00 0.00 57.03 55.67 1x5w h ASP 35 Cb 0.86 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.14 1x5w h ASP 35 CO 1.44 0.77 -0.69 -0.13 -3.12 0.00 0.00 179.24 177.51 1x5w s ARG 36 N -1.90 3.57 0.36 3.56 0.52 -1.26 -4.95 118.95 118.84 1x5w s ARG 36 Ca -0.10 -0.56 0.15 0.00 -0.52 0.00 0.00 55.73 54.70 1x5w s ARG 36 Cb -0.01 -2.93 0.68 0.00 0.52 0.00 0.00 34.95 33.21 1x5w s ARG 36 CO 0.34 0.11 1.77 -1.00 0.02 0.00 0.00 175.30 176.54 1x5w h PRO 37 N 7.12 0.00 -5.52 3.54 0.13 -1.84 -3.43 132.00 132.00 1x5w h PRO 37 Ca -0.33 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.16 1x5w h PRO 37 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1x5w h PRO 37 CO 0.61 0.41 -0.51 -0.06 -0.23 0.00 0.00 178.00 178.22 1x5w s PHE 38 N -3.89 3.46 0.17 1.56 0.08 -1.23 -5.08 117.98 113.05 1x5w s PHE 38 Ca -0.02 0.38 -0.02 0.00 0.12 0.00 0.00 56.93 57.39 1x5w s PHE 38 Cb 0.13 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1x5w s PHE 38 CO 0.71 0.51 0.13 0.15 -0.10 0.00 0.00 175.22 176.62 1x5w s LYS 39 N -0.44 1.11 0.22 0.44 3.01 -1.26 -2.10 119.74 120.72 1x5w s LYS 39 Ca 0.11 -1.50 0.01 0.00 -1.01 0.00 0.00 55.97 53.58 1x5w s LYS 39 Cb -0.12 0.28 -0.04 0.00 -1.01 0.00 0.00 37.83 36.94 1x5w s LYS 39 CO 0.02 -0.36 0.39 0.00 0.51 0.00 0.00 175.35 175.91 1x5w n ASN 41 N -0.94 1.30 -0.02 0.00 4.13 -1.26 -4.56 115.26 113.90 1x5w n ASN 41 Ca -0.06 -0.08 -0.13 0.00 1.68 0.00 0.00 54.58 55.99 1x5w n ASN 41 Cb 0.55 0.16 -0.10 0.00 -1.54 0.00 0.00 39.78 38.85 1x5w n ASN 41 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 1x5w h TYR 42 N 0.00 0.06 -1.57 3.10 -1.99 -1.97 -3.47 116.97 111.13 1x5w h TYR 42 Ca -0.55 -0.02 -0.61 0.00 2.00 0.00 0.00 58.73 59.55 1x5w h TYR 42 Cb 2.00 -0.01 -0.13 0.00 2.00 0.00 0.00 36.73 40.59 1x5w h TYR 42 CO 0.02 0.56 -0.53 0.00 -0.00 0.00 0.00 178.16 178.21 1x5w n SER 44 N -1.19 5.94 -4.62 0.00 7.64 -1.26 -4.29 113.62 115.84 1x5w n SER 44 Ca -0.11 -2.82 -0.38 0.00 1.01 0.00 0.00 58.87 56.57 1x5w n SER 44 Cb 0.66 -1.19 -0.09 0.00 -1.01 0.00 0.00 64.21 62.58 1x5w n SER 44 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1x5w s PHE 45 N -0.75 3.27 -0.05 1.43 2.19 -1.26 -4.94 117.98 117.87 1x5w s PHE 45 Ca 0.38 0.39 0.03 0.00 0.33 0.00 0.00 56.93 58.06 1x5w s PHE 45 Cb 0.24 -2.50 0.00 0.00 -1.31 0.00 0.00 43.02 39.45 1x5w s PHE 45 CO -0.05 -0.14 -0.14 0.16 1.83 0.00 0.00 175.22 176.87 1x5w s ASP 46 N 1.47 1.92 0.06 6.13 1.47 -1.26 0.75 116.67 127.21 1x5w s ASP 46 Ca 0.14 -0.32 0.05 0.00 1.18 0.00 0.00 52.55 53.61 1x5w s ASP 46 Cb -0.15 -0.67 -0.03 0.00 -0.34 0.00 0.00 42.92 41.73 1x5w s ASP 46 CO 0.09 0.10 -0.15 0.28 0.68 0.00 0.00 175.17 176.17 1x5w s THR 47 N 0.30 1.18 0.06 2.11 -1.32 -0.89 -5.00 115.64 112.08 1x5w s THR 47 Ca -0.08 -1.23 -0.18 0.00 -1.21 0.00 0.00 61.69 58.99 1x5w s THR 47 Cb -0.13 -1.11 -0.14 0.00 -1.51 0.00 0.00 72.50 69.61 1x5w s THR 47 CO 0.03 -0.13 1.32 0.50 -2.21 0.00 0.00 174.62 174.13 1x5w h LYS 48 N 4.48 0.51 -6.85 7.08 3.11 -1.93 -3.27 116.57 119.71 1x5w h LYS 48 Ca -0.41 -0.32 -0.47 0.00 -2.81 0.00 0.00 60.65 56.64 1x5w h LYS 48 Cb 1.19 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.43 1x5w h LYS 48 CO 0.41 0.92 0.33 -0.65 -2.81 0.00 0.00 179.45 177.65 1x5w s GLN 49 N -4.09 4.58 0.00 1.90 -0.21 -1.26 -4.66 119.66 115.92 1x5w s GLN 49 Ca -0.13 1.30 -0.23 0.00 0.02 0.00 0.00 55.36 56.31 1x5w s GLN 49 Cb 0.06 -2.84 -0.18 0.00 1.00 0.00 0.00 33.01 31.05 1x5w s GLN 49 CO 0.80 0.31 1.30 -1.00 -2.12 0.00 0.00 175.29 174.57 1x5w h PRO 50 N 3.26 0.15 -0.71 2.91 0.13 -1.99 -3.25 132.00 132.50 1x5w h PRO 50 Ca -0.47 -0.08 0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1x5w h PRO 50 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1x5w h PRO 50 CO 0.65 0.60 0.42 0.77 -0.23 0.00 0.00 178.00 180.22 1x5w h SER 51 N -0.28 0.66 -0.96 1.44 0.02 -1.99 -1.84 113.55 110.60 1x5w h SER 51 Ca 0.01 0.02 0.24 0.00 -0.84 0.00 0.00 61.79 61.22 1x5w h SER 51 Cb 0.57 -0.12 -0.13 0.00 0.14 0.00 0.00 62.40 62.87 1x5w h SER 51 CO 0.02 0.44 0.51 0.78 -1.14 0.00 0.00 176.83 177.43 1x5w h ASN 52 N 0.80 0.52 0.16 3.07 2.35 -1.97 -1.18 115.58 119.33 1x5w h ASN 52 Ca 0.31 0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 56.20 1x5w h ASN 52 Cb 0.13 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1x5w h ASN 52 CO -0.16 0.04 -0.08 0.25 -1.65 0.00 0.00 177.43 175.84 1x5w h LEU 53 N 0.49 -0.19 -0.80 1.61 5.85 -1.40 -2.03 115.31 118.84 1x5w h LEU 53 Ca 0.62 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.49 1x5w h LEU 53 Cb 1.20 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 42.14 1x5w h LEU 53 CO -0.51 -0.02 -0.25 -0.24 -0.34 0.00 0.00 178.44 177.08 1x5w n SER 54 N -3.21 -0.39 -0.22 1.25 2.88 -1.00 0.18 113.62 113.11 1x5w n SER 54 Ca -0.03 1.38 -0.08 0.00 -1.33 0.00 0.00 58.87 58.82 1x5w n SER 54 Cb 0.09 -0.37 0.03 0.00 -0.75 0.00 0.00 64.21 63.21 1x5w n SER 54 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x5w h LYS 55 N 0.00 0.94 -0.35 -1.46 1.57 -1.32 -2.78 116.57 113.17 1x5w h LYS 55 Ca 0.33 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1x5w h LYS 55 Cb 0.53 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1x5w h LYS 55 CO -0.81 0.83 0.23 1.25 -0.57 0.00 0.00 179.45 180.38 1x5w h HIS 56 N 0.87 0.44 -0.36 -1.35 -0.00 0.27 0.59 115.15 115.60 1x5w h HIS 56 Ca 0.20 0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.65 1x5w h HIS 56 Cb 0.27 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.47 1x5w h HIS 56 CO 0.02 0.28 -0.02 0.52 -0.00 0.00 0.00 177.93 178.72 1x5w h MET 57 N 0.47 0.07 -0.02 5.26 2.86 -0.34 0.21 114.93 123.44 1x5w h MET 57 Ca 0.13 -0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.60 1x5w h MET 57 Cb -0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1x5w h MET 57 CO -0.03 0.05 -0.72 0.87 1.06 0.00 0.00 176.91 178.14 1x5w h LYS 58 N 0.07 0.15 0.36 1.72 1.57 -1.24 0.16 116.57 119.37 1x5w h LYS 58 Ca 0.18 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1x5w h LYS 58 Cb 0.25 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1x5w h LYS 58 CO -0.31 0.81 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.98 1x5w h LYS 59 N 0.10 -0.46 0.00 3.15 3.64 0.11 -2.62 116.57 120.49 1x5w h LYS 59 Ca -0.02 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1x5w h LYS 59 Cb 1.27 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1x5w h LYS 59 CO 0.11 -0.31 -0.05 0.74 -2.27 0.00 0.00 179.45 177.66 1x5w h PHE 60 N -0.60 0.00 -0.55 1.91 0.04 -0.74 -3.35 116.94 113.65 1x5w h PHE 60 Ca -0.05 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.39 1x5w h PHE 60 Cb 0.37 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.39 1x5w h PHE 60 CO 0.09 0.16 0.18 0.72 -0.60 0.00 0.00 178.31 178.87 1x5w n HIS 61 N -4.74 1.06 0.00 -0.55 8.25 0.51 -4.55 115.22 115.19 1x5w n HIS 61 Ca -0.02 -1.75 -0.00 0.00 -0.26 0.00 0.00 57.72 55.69 1x5w n HIS 61 Cb 0.10 -1.21 -0.00 0.00 1.12 0.00 0.00 29.99 29.99 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 3.66 -0.01 0.14 -1.41 0.00 -1.01 -3.37 103.07 101.08 1x5w h GLY 62 Ca 0.28 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.76 1x5w h GLY 62 CO 0.61 -0.00 0.39 -0.55 0.00 0.00 0.00 176.54 176.98 1x5w h ASP 63 N -0.06 0.42 -0.02 0.19 3.32 -1.81 -3.41 116.42 115.05 1x5w h ASP 63 Ca -0.00 0.11 -0.69 0.00 0.02 0.00 0.00 57.03 56.46 1x5w h ASP 63 Cb 0.01 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1x5w h ASP 63 CO 0.00 0.15 1.45 0.23 -1.72 0.00 0.00 179.24 179.35 1x5w n MET 64 N -4.93 0.02 -0.02 3.56 2.81 -1.26 -4.79 117.12 112.50 1x5w n MET 64 Ca 0.17 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.90 1x5w n MET 64 Cb 0.46 -1.52 -0.09 0.00 -0.71 0.00 0.00 33.22 31.36 1x5w n MET 64 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1x5w h SER 65 N 9.95 0.64 -3.75 7.83 0.02 -1.91 -3.50 113.55 122.83 1x5w h SER 65 Ca -0.09 -0.65 0.16 0.00 -0.84 0.00 0.00 61.79 60.37 1x5w h SER 65 Cb 1.39 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.68 1x5w h SER 65 CO 1.17 1.19 -0.33 0.61 -1.14 0.00 0.00 176.83 178.34 1x5w n GLY 66 N 0.74 -2.00 3.64 -3.77 0.00 -1.26 -4.75 105.19 97.78 1x5w n GLY 66 Ca -0.08 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 1x5w n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5w s PRO 67 N -2.19 3.90 -0.13 1.61 0.04 -1.26 -5.00 135.00 131.96 1x5w s PRO 67 Ca 0.00 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.70 1x5w s PRO 67 Cb 0.00 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 1x5w s PRO 67 CO 0.00 -1.17 0.15 -1.54 0.04 0.00 0.00 177.00 174.48 1x5w s SER 68 N 3.88 6.36 0.03 6.66 1.04 -1.26 -5.00 113.70 125.41 1x5w s SER 68 Ca 0.70 0.43 -0.04 0.00 0.48 0.00 0.00 55.95 57.52 1x5w s SER 68 Cb -0.26 -2.08 -0.01 0.00 0.10 0.00 0.00 66.02 63.77 1x5w s SER 68 CO 0.28 0.35 -0.08 -0.24 0.98 0.00 0.00 173.24 174.53 1x5w n SER 69 N 2.33 1.29 0.00 7.02 2.88 -1.26 -5.31 113.62 120.57 1x5w n SER 69 Ca -0.19 0.18 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1x5w n SER 69 Cb 0.54 -0.43 0.55 0.00 -0.75 0.00 0.00 64.21 64.13 1x5w n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42