#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 5.20 0.13 1.61 0.15 -1.26 -5.07 113.70 114.46 1x5w s SER 2 Ca 0.00 -1.74 -0.08 0.00 0.70 0.00 0.00 55.95 54.83 1x5w s SER 2 Cb 0.00 -1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 1x5w s SER 2 CO 0.00 -0.46 0.22 -0.94 1.20 0.00 0.00 173.24 173.26 1x5w s SER 3 N 1.68 0.11 0.00 5.45 1.04 -1.26 -5.16 113.70 115.56 1x5w s SER 3 Ca 0.04 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1x5w s SER 3 Cb -0.22 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1x5w s SER 3 CO -0.02 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1x5w n GLY 4 N -0.13 0.52 3.57 7.32 0.00 -1.26 -4.99 105.19 110.22 1x5w n GLY 4 Ca -0.11 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.38 6.82 0.05 1.61 0.01 -1.26 -4.74 113.70 114.82 1x5w s SER 5 Ca 0.00 -2.39 -0.16 0.00 1.31 0.00 0.00 55.95 54.71 1x5w s SER 5 Cb 0.00 -2.56 -0.25 0.00 0.21 0.00 0.00 66.02 63.42 1x5w s SER 5 CO 0.00 -1.17 1.14 0.77 0.41 0.00 0.00 173.24 174.39 1x5w h SER 6 N 7.78 0.81 -2.98 2.44 4.64 -2.03 -3.46 113.55 120.76 1x5w h SER 6 Ca 0.41 -0.77 -0.28 0.00 -0.47 0.00 0.00 61.79 60.68 1x5w h SER 6 Cb 0.89 -0.25 0.13 0.00 -0.31 0.00 0.00 62.40 62.86 1x5w h SER 6 CO 1.43 1.48 0.16 0.61 -0.87 0.00 0.00 176.83 179.65 1x5w n GLY 7 N 1.16 -2.17 3.18 -0.77 0.00 -1.26 -5.10 105.19 100.24 1x5w n GLY 7 Ca -0.12 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.62 1.03 0.24 1.61 4.02 -1.26 -5.04 115.29 113.26 1x5w s HIS 8 Ca 0.50 -0.75 0.21 0.00 1.02 0.00 0.00 55.06 56.05 1x5w s HIS 8 Cb -0.03 -0.56 0.92 0.00 -1.02 0.00 0.00 32.58 31.88 1x5w s HIS 8 CO 0.37 -0.03 1.84 -1.00 1.02 0.00 0.00 174.74 176.94 1x5w h PRO 9 N 3.27 0.00 -4.17 8.40 0.13 -1.88 -3.44 132.00 134.31 1x5w h PRO 9 Ca -0.36 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.57 1x5w h PRO 9 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1x5w h PRO 9 CO 0.58 0.28 -0.71 -1.21 -0.23 0.00 0.00 178.00 176.71 1x5w s GLU 10 N -3.82 0.40 0.13 0.86 0.41 -1.19 -5.07 118.70 110.43 1x5w s GLU 10 Ca -0.01 -0.71 -0.06 0.00 -0.41 0.00 0.00 54.97 53.78 1x5w s GLU 10 Cb 0.12 0.00 -0.02 0.00 -1.78 0.00 0.00 34.13 32.45 1x5w s GLU 10 CO 0.66 -0.03 0.17 0.15 -0.49 0.00 0.00 175.26 175.72 1x5w s LYS 11 N -1.73 0.98 -0.04 1.61 1.02 -1.26 -2.80 119.74 117.52 1x5w s LYS 11 Ca -0.12 -1.22 -0.17 0.00 0.02 0.00 0.00 55.97 54.47 1x5w s LYS 11 Cb -0.08 0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 37.49 1x5w s LYS 11 CO -0.01 -0.32 0.48 0.00 -0.92 0.00 0.00 175.35 174.58 1x5w n SER 13 N 2.65 1.01 -0.03 0.00 7.64 -1.26 -3.91 113.62 119.71 1x5w n SER 13 Ca -0.10 -1.91 -0.06 0.00 1.01 0.00 0.00 58.87 57.80 1x5w n SER 13 Cb 0.52 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.58 1x5w n SER 13 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x5w n GLU 14 N 0.01 0.15 -3.08 1.43 -0.58 -1.26 -5.11 120.64 112.20 1x5w n GLU 14 Ca 0.08 0.05 -0.11 0.00 -0.42 0.00 0.00 57.16 56.77 1x5w n GLU 14 Cb 0.17 -0.86 -0.03 0.00 -0.57 0.00 0.00 31.44 30.15 1x5w n GLU 14 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x5w n SER 16 N -2.03 4.32 -4.60 0.00 7.64 -1.26 -4.13 113.62 113.56 1x5w n SER 16 Ca -0.00 -2.40 -0.40 0.00 1.01 0.00 0.00 58.87 57.07 1x5w n SER 16 Cb 0.28 -0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 62.59 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 -0.49 3.24 0.04 1.43 6.14 -1.26 -4.93 117.35 121.51 1x5w s TYR 17 Ca 0.08 0.44 0.06 0.00 0.64 0.00 0.00 57.07 58.30 1x5w s TYR 17 Cb 0.07 -2.72 -0.02 0.00 0.42 0.00 0.00 41.96 39.71 1x5w s TYR 17 CO 0.01 -0.33 -0.17 -1.54 0.64 0.00 0.00 175.55 174.16 1x5w s SER 18 N 1.63 1.98 0.32 4.32 1.04 -1.26 0.87 113.70 122.60 1x5w s SER 18 Ca 0.18 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1x5w s SER 18 Cb -0.16 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.78 1x5w s SER 18 CO 0.10 0.09 0.18 0.00 0.98 0.00 0.00 173.24 174.59 1x5w h SER 20 N 2.15 0.00 -3.53 0.00 0.02 -1.99 -3.15 113.55 107.05 1x5w h SER 20 Ca -0.32 -0.19 -0.61 0.00 -0.84 0.00 0.00 61.79 59.83 1x5w h SER 20 Cb 1.25 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.67 1x5w h SER 20 CO 0.49 0.83 0.06 -0.44 -1.14 0.00 0.00 176.83 176.63 1x5w s SER 21 N -5.92 6.51 0.21 3.07 0.01 -1.26 -4.59 113.70 111.73 1x5w s SER 21 Ca -0.13 0.62 -0.18 0.00 1.31 0.00 0.00 55.95 57.57 1x5w s SER 21 Cb 0.02 -2.31 0.21 0.00 0.21 0.00 0.00 66.02 64.14 1x5w s SER 21 CO 0.27 -0.31 1.57 0.50 0.41 0.00 0.00 173.24 175.68 1x5w h LYS 22 N 7.92 -0.07 -0.85 12.44 3.64 -1.98 0.96 116.57 138.63 1x5w h LYS 22 Ca -0.28 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.29 1x5w h LYS 22 Cb 1.13 0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 32.81 1x5w h LYS 22 CO 0.74 -0.05 -0.15 0.00 -2.27 0.00 0.00 179.45 177.73 1x5w n ALA 23 N -3.30 0.27 -0.09 5.00 0.00 -1.26 0.12 120.51 121.25 1x5w n ALA 23 Ca 0.08 0.92 -0.08 0.00 0.00 0.00 0.00 53.44 54.36 1x5w n ALA 23 Cb 0.38 -0.59 -0.00 0.00 0.00 0.00 0.00 19.45 19.24 1x5w n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5w h ALA 24 N 1.69 0.40 -0.96 0.00 0.00 -1.22 -2.12 119.26 117.05 1x5w h ALA 24 Ca 0.44 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.54 1x5w h ALA 24 Cb 0.74 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 1x5w h ALA 24 CO -0.85 -0.20 0.61 1.25 0.00 0.00 0.00 179.25 180.06 1x5w h LEU 25 N 0.35 0.63 0.10 0.00 5.85 0.10 -1.14 115.31 121.20 1x5w h LEU 25 Ca 0.13 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1x5w h LEU 25 Cb 0.03 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1x5w h LEU 25 CO -0.08 0.25 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.12 1x5w h ARG 26 N 0.62 -0.14 -0.80 1.25 2.43 -0.73 -2.01 114.38 115.01 1x5w h ARG 26 Ca 0.52 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.77 1x5w h ARG 26 Cb 0.99 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.52 1x5w h ARG 26 CO -0.28 -0.09 0.52 0.82 -1.51 0.00 0.00 179.97 179.43 1x5w h ILE 27 N -0.15 1.04 -0.38 1.20 5.03 -1.12 -2.11 117.51 121.02 1x5w h ILE 27 Ca -0.01 -0.30 -0.01 0.00 -0.12 0.00 0.00 64.86 64.42 1x5w h ILE 27 Cb 0.12 0.10 -0.02 0.00 -3.03 0.00 0.00 36.82 33.99 1x5w h ILE 27 CO 0.01 0.16 0.18 -0.74 -0.68 0.00 0.00 178.15 177.08 1x5w h HIS 28 N 0.86 0.55 -1.20 1.37 -0.00 -0.96 -2.71 115.15 113.06 1x5w h HIS 28 Ca 0.34 -0.03 0.44 0.00 -0.00 0.00 0.00 60.37 61.12 1x5w h HIS 28 Cb 0.24 -0.17 -0.14 0.00 -0.00 0.00 0.00 27.41 27.34 1x5w h HIS 28 CO -0.00 0.47 0.74 0.39 -0.00 0.00 0.00 177.93 179.53 1x5w n GLU 29 N -4.71 -0.04 -0.32 5.26 1.02 -0.79 0.62 120.64 121.67 1x5w n GLU 29 Ca -0.00 1.22 0.22 0.00 -0.02 0.00 0.00 57.16 58.58 1x5w n GLU 29 Cb 0.11 -2.34 0.43 0.00 -0.02 0.00 0.00 31.44 29.62 1x5w n GLU 29 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x5w h ARG 30 N 0.00 0.15 -1.27 3.49 3.08 -1.57 0.30 114.38 118.56 1x5w h ARG 30 Ca 0.83 -0.01 0.44 0.00 0.07 0.00 0.00 59.98 61.30 1x5w h ARG 30 Cb 2.52 -0.03 -0.13 0.00 0.08 0.00 0.00 29.97 32.41 1x5w h ARG 30 CO -0.53 0.10 0.82 1.51 -1.07 0.00 0.00 179.97 180.80 1x5w n ILE 31 N -5.23 -0.23 -3.16 2.04 3.06 0.20 -2.38 119.36 113.67 1x5w n ILE 31 Ca 0.30 1.64 -0.45 0.00 -2.50 0.00 0.00 62.75 61.74 1x5w n ILE 31 Cb 0.96 -2.69 -0.00 0.00 0.54 0.00 0.00 39.64 38.44 1x5w n ILE 31 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1x5w s HIS 32 N -5.10 3.85 -0.13 9.51 3.76 0.11 -4.96 115.29 122.33 1x5w s HIS 32 Ca -0.07 -2.33 -0.12 0.00 -0.15 0.00 0.00 55.06 52.39 1x5w s HIS 32 Cb 0.28 -4.05 0.03 0.00 1.11 0.00 0.00 32.58 29.95 1x5w s HIS 32 CO 0.75 -1.17 0.35 0.00 -0.85 0.00 0.00 174.74 173.83 1x5w s THR 34 N 0.21 4.86 0.00 0.00 -1.32 -1.26 -5.03 115.64 113.10 1x5w s THR 34 Ca -0.00 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1x5w s THR 34 Cb -0.03 -3.75 0.00 0.00 -1.51 0.00 0.00 72.50 67.21 1x5w s THR 34 CO 0.00 -0.42 0.00 0.47 -2.21 0.00 0.00 174.62 172.47 1x5w n ASP 35 N -1.71 3.47 -4.63 8.08 9.92 -1.26 -5.01 116.55 125.41 1x5w n ASP 35 Ca -0.04 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.79 1x5w n ASP 35 Cb 0.57 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.02 1x5w n ASP 35 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1x5w s ARG 36 N -1.90 3.65 0.53 -1.24 3.00 -1.26 -4.85 118.95 116.88 1x5w s ARG 36 Ca 0.00 2.12 0.33 0.00 0.00 0.00 0.00 55.73 58.19 1x5w s ARG 36 Cb 0.00 -4.21 1.39 0.00 0.00 0.00 0.00 34.95 32.12 1x5w s ARG 36 CO 0.00 -1.50 1.98 -1.00 0.00 0.00 0.00 175.30 174.78 1x5w h PRO 37 N 12.39 0.00 -6.17 3.54 0.13 -1.83 -3.44 132.00 136.63 1x5w h PRO 37 Ca -0.42 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.04 1x5w h PRO 37 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1x5w h PRO 37 CO 0.97 0.00 -0.66 -0.06 -0.23 0.00 0.00 178.00 178.02 1x5w s PHE 38 N -3.66 3.03 0.23 1.56 0.08 -1.22 -5.08 117.98 112.92 1x5w s PHE 38 Ca 0.01 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.12 1x5w s PHE 38 Cb 0.09 -1.67 -0.05 0.00 -0.57 0.00 0.00 43.02 40.83 1x5w s PHE 38 CO 0.52 0.43 0.11 0.15 -0.10 0.00 0.00 175.22 176.34 1x5w s LYS 39 N -1.43 1.31 -0.01 0.44 3.01 -1.26 -2.44 119.74 119.36 1x5w s LYS 39 Ca 0.18 -1.70 -0.07 0.00 -1.01 0.00 0.00 55.97 53.37 1x5w s LYS 39 Cb -0.11 0.01 -0.05 0.00 -1.01 0.00 0.00 37.83 36.66 1x5w s LYS 39 CO 0.08 -0.35 0.26 0.00 0.51 0.00 0.00 175.35 175.85 1x5w n ASN 41 N 1.28 5.40 0.00 0.00 3.02 -1.26 -4.26 115.26 119.44 1x5w n ASN 41 Ca -0.13 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 1x5w n ASN 41 Cb 0.53 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1x5w n ASN 41 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1x5w n TYR 42 N 0.61 0.00 -4.29 3.10 4.02 -1.26 -5.12 117.16 114.22 1x5w n TYR 42 Ca 0.26 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.97 1x5w n TYR 42 Cb 1.13 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 40.36 1x5w n TYR 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x5w n SER 44 N -1.19 5.09 -4.73 0.00 7.64 -1.26 -4.34 113.62 114.83 1x5w n SER 44 Ca 0.05 -2.42 -0.35 0.00 1.01 0.00 0.00 58.87 57.15 1x5w n SER 44 Cb 0.64 -1.30 -0.08 0.00 -1.01 0.00 0.00 64.21 62.45 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 0.80 3.25 -0.09 1.43 5.36 -1.26 -5.00 117.98 122.46 1x5w s PHE 45 Ca 0.47 0.25 -0.04 0.00 -0.96 0.00 0.00 56.93 56.66 1x5w s PHE 45 Cb 0.23 -1.80 0.05 0.00 -0.34 0.00 0.00 43.02 41.15 1x5w s PHE 45 CO 0.00 0.53 0.19 0.16 -1.46 0.00 0.00 175.22 174.64 1x5w s ASP 46 N -1.05 0.16 0.13 6.13 -4.77 -1.26 0.15 116.67 116.16 1x5w s ASP 46 Ca 0.15 0.41 0.11 0.00 -3.30 0.00 0.00 52.55 49.92 1x5w s ASP 46 Cb -0.12 0.35 -0.04 0.00 -1.09 0.00 0.00 42.92 42.02 1x5w s ASP 46 CO 0.04 -0.19 -0.26 0.28 0.70 0.00 0.00 175.17 175.74 1x5w s THR 47 N 1.70 2.29 0.02 2.11 -1.32 -1.02 -4.93 115.64 114.49 1x5w s THR 47 Ca -0.04 -1.76 -0.21 0.00 -1.21 0.00 0.00 61.69 58.47 1x5w s THR 47 Cb -0.11 -2.02 -0.17 0.00 -1.51 0.00 0.00 72.50 68.68 1x5w s THR 47 CO -0.07 0.08 1.25 0.50 -2.21 0.00 0.00 174.62 174.17 1x5w h LYS 48 N 3.84 0.33 -6.44 7.08 3.64 -1.92 -3.23 116.57 119.87 1x5w h LYS 48 Ca -0.51 -0.22 -0.54 0.00 -1.27 0.00 0.00 60.65 58.11 1x5w h LYS 48 Cb 1.17 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1x5w h LYS 48 CO 0.40 0.83 0.07 -0.65 -2.27 0.00 0.00 179.45 177.83 1x5w s GLN 49 N -3.92 4.30 0.42 1.90 -1.52 -1.26 -4.64 119.66 114.95 1x5w s GLN 49 Ca -0.14 0.87 0.21 0.00 -1.95 0.00 0.00 55.36 54.35 1x5w s GLN 49 Cb 0.04 -3.08 0.92 0.00 -0.22 0.00 0.00 33.01 30.67 1x5w s GLN 49 CO 0.76 0.52 1.84 -1.00 -0.25 0.00 0.00 175.29 177.16 1x5w h PRO 50 N 3.97 0.00 -0.24 2.91 0.13 -2.00 -3.14 132.00 133.64 1x5w h PRO 50 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1x5w h PRO 50 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1x5w h PRO 50 CO 0.65 0.28 -0.05 0.66 -0.23 0.00 0.00 178.00 179.31 1x5w h SER 51 N 0.00 0.45 -0.70 1.44 4.64 -1.98 -2.70 113.55 114.71 1x5w h SER 51 Ca -0.00 -0.36 0.11 0.00 -0.47 0.00 0.00 61.79 61.07 1x5w h SER 51 Cb 0.70 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.59 1x5w h SER 51 CO 0.04 0.70 0.29 -1.13 -0.87 0.00 0.00 176.83 175.86 1x5w h ASN 52 N 0.19 0.32 0.11 4.97 -1.24 -1.96 -1.46 115.58 116.51 1x5w h ASN 52 Ca 0.06 0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 1x5w h ASN 52 Cb 0.50 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.60 1x5w h ASN 52 CO 0.02 0.16 -0.05 0.25 -1.29 0.00 0.00 177.43 176.52 1x5w h LEU 53 N 0.48 -0.13 -0.02 0.34 5.85 -1.60 0.43 115.31 120.67 1x5w h LEU 53 Ca 0.36 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.07 1x5w h LEU 53 Cb 0.47 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1x5w h LEU 53 CO -0.33 -0.04 -0.40 -1.28 -0.34 0.00 0.00 178.44 176.04 1x5w h SER 54 N -0.21 -1.22 0.08 1.25 0.87 -1.05 0.43 113.55 113.70 1x5w h SER 54 Ca -0.02 0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1x5w h SER 54 Cb 0.16 0.48 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1x5w h SER 54 CO 0.03 -0.44 -0.19 0.07 -0.53 0.00 0.00 176.83 175.76 1x5w h LYS 55 N -0.55 0.22 -0.53 2.24 2.10 -1.24 -2.66 116.57 116.15 1x5w h LYS 55 Ca 0.05 -0.06 -0.11 0.00 -2.00 0.00 0.00 60.65 58.53 1x5w h LYS 55 Cb 0.64 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 1x5w h LYS 55 CO -0.32 0.42 -0.11 1.25 -2.00 0.00 0.00 179.45 178.69 1x5w h HIS 56 N 0.21 1.10 0.12 0.07 2.76 0.11 0.35 115.15 119.87 1x5w h HIS 56 Ca 0.04 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 57.98 1x5w h HIS 56 Cb 0.47 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1x5w h HIS 56 CO 0.01 1.03 -0.06 0.52 -1.30 0.00 0.00 177.93 178.12 1x5w h MET 57 N 0.88 -0.16 -0.30 5.26 2.86 0.14 -1.62 114.93 122.00 1x5w h MET 57 Ca 0.14 0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.62 1x5w h MET 57 Cb 0.66 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 1x5w h MET 57 CO 0.05 0.00 -0.49 0.87 1.06 0.00 0.00 176.91 178.40 1x5w h LYS 58 N -0.29 0.82 0.34 1.72 1.79 -1.48 0.41 116.57 119.87 1x5w h LYS 58 Ca -0.02 -0.48 -0.01 0.00 -2.18 0.00 0.00 60.65 57.96 1x5w h LYS 58 Cb 0.23 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1x5w h LYS 58 CO 0.03 1.11 -0.32 -0.22 -1.08 0.00 0.00 179.45 178.97 1x5w h LYS 59 N 0.64 -0.63 0.00 3.15 3.64 -0.23 -1.74 116.57 121.40 1x5w h LYS 59 Ca 0.03 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1x5w h LYS 59 Cb 1.07 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1x5w h LYS 59 CO 0.11 -0.42 -0.24 0.74 -2.27 0.00 0.00 179.45 177.37 1x5w h PHE 60 N -0.66 0.00 -0.07 1.91 -1.00 -1.39 -3.37 116.94 112.37 1x5w h PHE 60 Ca -0.04 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.64 1x5w h PHE 60 Cb 0.56 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.09 1x5w h PHE 60 CO -0.17 0.00 -0.08 0.72 -1.61 0.00 0.00 178.31 177.17 1x5w n HIS 61 N -4.20 0.16 -0.03 -0.55 8.25 0.14 -4.38 115.22 114.61 1x5w n HIS 61 Ca -0.03 -1.25 -0.00 0.00 -0.26 0.00 0.00 57.72 56.17 1x5w n HIS 61 Cb 0.12 -0.90 -0.00 0.00 1.12 0.00 0.00 29.99 30.33 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 3.61 -0.02 -3.30 -1.41 0.00 -0.60 -3.35 103.07 98.00 1x5w h GLY 62 Ca 0.09 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1x5w h GLY 62 CO 0.15 -0.01 -0.07 1.34 0.00 0.00 0.00 176.54 177.95 1x5w n ASP 63 N -4.42 5.39 0.02 0.19 2.03 -1.26 -3.87 116.55 114.62 1x5w n ASP 63 Ca -0.00 -2.47 -0.02 0.00 0.52 0.00 0.00 54.79 52.82 1x5w n ASP 63 Cb 0.01 -1.20 -0.01 0.00 -0.72 0.00 0.00 41.12 39.20 1x5w n ASP 63 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1x5w n MET 64 N 1.69 0.09 -1.65 -0.67 2.81 -1.26 -4.95 117.12 113.19 1x5w n MET 64 Ca 0.13 0.04 -0.63 0.00 -1.81 0.00 0.00 57.70 55.42 1x5w n MET 64 Cb 0.61 -0.66 -0.10 0.00 -0.71 0.00 0.00 33.22 32.37 1x5w n MET 64 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1x5w n SER 65 N -3.56 1.47 -1.43 7.83 7.64 -1.25 -4.51 113.62 119.80 1x5w n SER 65 Ca -0.04 1.05 0.19 0.00 1.01 0.00 0.00 58.87 61.08 1x5w n SER 65 Cb 0.19 -0.96 -0.06 0.00 -1.01 0.00 0.00 64.21 62.37 1x5w n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5w n GLY 66 N 4.72 -2.29 0.00 0.23 0.00 -1.26 -3.81 105.19 102.78 1x5w n GLY 66 Ca 0.34 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 45.28 1x5w n GLY 66 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5w n PRO 67 N -4.25 0.49 -3.37 1.61 -0.04 -1.26 -4.82 135.00 123.35 1x5w n PRO 67 Ca -0.02 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.25 1x5w n PRO 67 Cb 0.66 -1.33 0.06 0.00 -0.04 0.00 0.00 33.50 32.85 1x5w n PRO 67 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5w n SER 68 N -0.83 -5.38 -2.51 3.54 7.64 -1.25 -4.94 113.62 109.90 1x5w n SER 68 Ca 0.08 -0.44 -0.12 0.00 1.01 0.00 0.00 58.87 59.40 1x5w n SER 68 Cb 0.04 -4.14 0.03 0.00 -1.01 0.00 0.00 64.21 59.12 1x5w n SER 68 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5w n SER 69 N -2.15 2.99 0.00 6.43 3.41 -1.26 -5.19 113.62 117.85 1x5w n SER 69 Ca -0.00 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 1x5w n SER 69 Cb 0.55 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1x5w n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49