#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3c s SER 2 N 0.00 -0.25 0.19 1.61 0.15 -1.26 -5.19 113.70 108.95 1x3c s SER 2 Ca 0.00 0.39 -0.23 0.00 0.70 0.00 0.00 55.95 56.81 1x3c s SER 2 Cb 0.00 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.73 1x3c s SER 2 CO 0.00 -0.15 0.94 -0.94 1.20 0.00 0.00 173.24 174.29 1x3c s SER 3 N -0.44 -0.13 0.00 5.45 1.04 -1.26 -5.19 113.70 113.17 1x3c s SER 3 Ca 0.04 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1x3c s SER 3 Cb -0.03 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1x3c s SER 3 CO -0.07 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1x3c n GLY 4 N -0.52 2.26 3.53 7.32 0.00 -1.26 -5.19 105.19 111.33 1x3c n GLY 4 Ca -0.05 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1x3c n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3c s SER 5 N 0.00 -0.45 0.16 1.61 1.04 -1.26 -5.19 113.70 109.61 1x3c s SER 5 Ca 0.00 0.33 -0.20 0.00 0.48 0.00 0.00 55.95 56.56 1x3c s SER 5 Cb 0.00 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.58 1x3c s SER 5 CO 0.00 -0.54 0.54 -0.55 0.98 0.00 0.00 173.24 173.68 1x3c s SER 6 N -1.65 -0.41 0.00 7.02 0.15 -1.26 -5.18 113.70 112.37 1x3c s SER 6 Ca -0.02 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1x3c s SER 6 Cb -0.01 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1x3c s SER 6 CO -0.01 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.07 1x3c n GLY 7 N -0.34 1.04 3.64 9.45 0.00 -1.26 -5.19 105.19 112.53 1x3c n GLY 7 Ca -0.15 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 1x3c n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x3c s ARG 8 N -2.00 0.78 0.18 1.61 1.70 -1.26 -5.19 118.95 114.77 1x3c s ARG 8 Ca 0.00 -0.39 0.04 0.00 -0.47 0.00 0.00 55.73 54.91 1x3c s ARG 8 Cb 0.00 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1x3c s ARG 8 CO 0.00 -0.35 -0.05 -1.59 -1.08 0.00 0.00 175.30 172.23 1x3c s LYS 9 N -2.90 1.17 -0.04 3.89 0.00 -1.26 -5.16 119.74 115.44 1x3c s LYS 9 Ca 0.11 -1.54 0.02 0.00 0.00 0.00 0.00 55.97 54.55 1x3c s LYS 9 Cb 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 37.83 37.24 1x3c s LYS 9 CO -0.03 -0.02 -0.06 0.15 0.00 0.00 0.00 175.35 175.39 1x3c s LYS 10 N -3.82 2.69 0.88 1.78 1.02 -1.26 -5.13 119.74 115.91 1x3c s LYS 10 Ca 0.22 -0.61 -0.15 0.00 0.02 0.00 0.00 55.97 55.45 1x3c s LYS 10 Cb 0.04 -2.57 0.22 0.00 -0.52 0.00 0.00 37.83 35.00 1x3c s LYS 10 CO 0.04 0.64 0.79 -0.35 -0.92 0.00 0.00 175.35 175.55 1x3c n PRO 11 N 1.91 -2.55 -3.46 -1.68 -0.04 -1.26 -5.10 135.00 122.83 1x3c n PRO 11 Ca -0.17 -1.26 0.01 0.00 -0.04 0.00 0.00 63.50 62.05 1x3c n PRO 11 Cb 0.53 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 1x3c n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x3c s VAL 12 N -2.42 -0.64 1.14 0.52 0.11 -1.26 -5.17 120.40 112.67 1x3c s VAL 12 Ca 0.51 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.42 1x3c s VAL 12 Cb -0.05 -1.00 0.26 0.00 -1.53 0.00 0.00 36.38 34.06 1x3c s VAL 12 CO 0.39 0.00 1.05 -0.94 -3.33 0.00 0.00 175.10 172.27 1x3c s SER 13 N 2.59 1.35 -0.22 3.54 1.04 -1.26 -5.07 113.70 115.66 1x3c s SER 13 Ca -0.03 1.18 -0.13 0.00 0.48 0.00 0.00 55.95 57.45 1x3c s SER 13 Cb -0.08 -1.82 0.07 0.00 0.10 0.00 0.00 66.02 64.29 1x3c s SER 13 CO -0.18 -3.92 0.53 -1.58 0.98 0.00 0.00 173.24 169.07 1x3c s GLN 14 N -4.84 0.54 0.08 4.02 2.00 -1.26 -5.13 119.66 115.06 1x3c s GLN 14 Ca 0.68 0.96 -0.21 0.00 -2.00 0.00 0.00 55.36 54.79 1x3c s GLN 14 Cb -0.19 0.06 -0.07 0.00 0.80 0.00 0.00 33.01 33.61 1x3c s GLN 14 CO 0.60 -0.15 0.61 0.45 -0.50 0.00 0.00 175.29 176.30 1x3c s SER 15 N 1.42 7.11 0.41 6.67 0.15 -1.26 -4.45 113.70 123.74 1x3c s SER 15 Ca -0.09 1.31 0.07 0.00 0.70 0.00 0.00 55.95 57.95 1x3c s SER 15 Cb -0.07 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1x3c s SER 15 CO -0.15 0.23 0.23 -1.48 1.20 0.00 0.00 173.24 173.28 1x3c s LEU 16 N -0.95 3.20 0.29 3.45 2.34 -1.26 -4.98 118.68 120.77 1x3c s LEU 16 Ca 0.31 -0.97 0.17 0.00 0.06 0.00 0.00 54.13 53.70 1x3c s LEU 16 Cb -0.20 -1.63 1.02 0.00 -0.56 0.00 0.00 46.19 44.82 1x3c s LEU 16 CO 0.20 -0.56 1.17 -1.84 -1.06 0.00 0.00 176.35 174.26 1x3c n GLU 17 N -1.32 -0.04 -3.64 1.48 0.28 -1.26 -3.66 120.64 112.47 1x3c n GLU 17 Ca 0.00 1.00 -0.23 0.00 -0.16 0.00 0.00 57.16 57.77 1x3c n GLU 17 Cb 0.64 -1.83 -0.17 0.00 1.43 0.00 0.00 31.44 31.50 1x3c n GLU 17 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1x3c s PHE 18 N -5.06 0.15 0.15 -1.84 0.40 -1.26 -4.76 117.98 105.76 1x3c s PHE 18 Ca -0.06 -0.07 0.31 0.00 -0.60 0.00 0.00 56.93 56.51 1x3c s PHE 18 Cb 0.25 -0.61 1.31 0.00 0.51 0.00 0.00 43.02 44.48 1x3c s PHE 18 CO 0.58 -0.37 1.97 -1.00 0.70 0.00 0.00 175.22 177.10 1x3c h PRO 19 N 8.43 0.00 -6.52 0.24 0.13 -1.81 -3.44 132.00 129.02 1x3c h PRO 19 Ca -0.14 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.47 1x3c h PRO 19 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1x3c h PRO 19 CO 0.23 0.06 0.15 -0.08 -0.23 0.00 0.00 178.00 178.14 1x3c s THR 20 N -3.72 4.43 0.20 1.56 -1.32 -1.26 -4.47 115.64 111.05 1x3c s THR 20 Ca 0.00 1.59 0.08 0.00 -1.21 0.00 0.00 61.69 62.15 1x3c s THR 20 Cb 0.10 -4.06 -0.05 0.00 -1.51 0.00 0.00 72.50 66.98 1x3c s THR 20 CO 0.56 0.45 -0.14 -0.60 -2.21 0.00 0.00 174.62 172.68 1x3c s ARG 21 N -1.35 1.30 0.37 7.08 6.06 -1.26 -5.16 118.95 125.99 1x3c s ARG 21 Ca 0.37 -1.56 0.04 0.00 -2.50 0.00 0.00 55.73 52.09 1x3c s ARG 21 Cb -0.21 -1.10 -0.03 0.00 0.06 0.00 0.00 34.95 33.67 1x3c s ARG 21 CO 0.24 0.18 0.16 1.52 -2.50 0.00 0.00 175.30 174.91 1x3c s TYR 22 N -2.91 1.75 -0.46 5.12 1.13 -1.26 -5.12 117.35 115.59 1x3c s TYR 22 Ca 0.21 -1.37 0.03 0.00 -1.41 0.00 0.00 57.07 54.53 1x3c s TYR 22 Cb -0.01 -1.02 0.12 0.00 -1.10 0.00 0.00 41.96 39.95 1x3c s TYR 22 CO 0.06 -0.44 0.21 -1.12 -2.51 0.00 0.00 175.55 171.75 1x3c s SER 23 N -3.52 4.61 0.11 -0.18 0.01 -1.26 -4.96 113.70 108.53 1x3c s SER 23 Ca 0.29 -2.66 -0.14 0.00 1.31 0.00 0.00 55.95 54.76 1x3c s SER 23 Cb 0.03 -1.67 -0.07 0.00 0.21 0.00 0.00 66.02 64.52 1x3c s SER 23 CO 0.18 -0.31 1.44 1.55 0.41 0.00 0.00 173.24 176.50 1x3c h PRO 24 N 7.01 0.78 -3.12 12.44 0.13 -2.02 -3.47 132.00 143.75 1x3c h PRO 24 Ca -0.06 -0.41 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1x3c h PRO 24 Cb 0.95 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.02 1x3c h PRO 24 CO 0.64 1.03 0.16 -0.47 -0.23 0.00 0.00 178.00 179.13 1x3c s TYR 25 N -4.39 -0.14 -0.72 1.56 5.04 -1.26 -5.11 117.35 112.32 1x3c s TYR 25 Ca -0.12 -0.27 -0.06 0.00 -2.44 0.00 0.00 57.07 54.18 1x3c s TYR 25 Cb 0.09 0.59 0.19 0.00 0.35 0.00 0.00 41.96 43.19 1x3c s TYR 25 CO 0.85 -1.14 0.59 1.03 -1.34 0.00 0.00 175.55 175.53 1x3c s ARG 26 N -3.91 2.99 0.51 4.97 1.81 -1.26 -4.68 118.95 119.38 1x3c s ARG 26 Ca 0.11 -2.59 0.30 0.00 -1.72 0.00 0.00 55.73 51.83 1x3c s ARG 26 Cb -0.04 -3.99 1.26 0.00 -0.45 0.00 0.00 34.95 31.73 1x3c s ARG 26 CO 0.04 -1.22 1.95 -1.00 -0.68 0.00 0.00 175.30 174.40 1x3c h PRO 27 N 7.16 0.00 -4.66 3.54 0.13 -1.89 -3.41 132.00 132.87 1x3c h PRO 27 Ca 0.04 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.48 1x3c h PRO 27 Cb 0.97 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.89 1x3c h PRO 27 CO 0.74 0.09 -0.48 0.71 -0.23 0.00 0.00 178.00 178.83 1x3c s TYR 28 N -3.73 3.23 0.04 1.56 2.02 -1.21 -5.06 117.35 114.19 1x3c s TYR 28 Ca 0.00 -0.42 0.08 0.00 -0.37 0.00 0.00 57.07 56.36 1x3c s TYR 28 Cb 0.10 -2.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.15 1x3c s TYR 28 CO 0.57 -0.46 -0.23 0.50 -1.57 0.00 0.00 175.55 174.37 1x3c s ARG 29 N 1.68 1.54 -0.10 -0.62 3.52 -1.26 -1.95 118.95 121.77 1x3c s ARG 29 Ca 0.05 -0.98 -0.30 0.00 -0.13 0.00 0.00 55.73 54.38 1x3c s ARG 29 Cb -0.18 -1.67 -0.03 0.00 -1.56 0.00 0.00 34.95 31.51 1x3c s ARG 29 CO 0.09 0.43 1.40 0.00 -0.81 0.00 0.00 175.30 176.42 1x3c h VAL 31 N 5.40 0.37 -0.87 0.00 -1.51 -1.99 -3.41 116.25 114.23 1x3c h VAL 31 Ca -0.33 -0.28 -0.20 0.00 -1.23 0.00 0.00 66.70 64.66 1x3c h VAL 31 Cb 1.14 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 1x3c h VAL 31 CO 0.95 0.05 0.71 1.41 -1.23 0.00 0.00 177.57 179.46 1x3c n HIS 32 N -3.50 1.27 -1.48 5.19 8.25 -1.26 -4.80 115.22 118.89 1x3c n HIS 32 Ca -0.02 0.04 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 1x3c n HIS 32 Cb 0.17 -2.62 -0.10 0.00 1.12 0.00 0.00 29.99 28.56 1x3c n HIS 32 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1x3c n GLN 33 N 8.88 0.24 0.00 -0.41 -0.06 -1.26 -1.93 117.38 122.84 1x3c n GLN 33 Ca 0.43 -0.86 0.00 0.00 -2.00 0.00 0.00 57.00 54.57 1x3c n GLN 33 Cb 0.48 -2.95 0.00 0.00 -4.06 0.00 0.00 30.24 23.71 1x3c n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1x3c n GLY 34 N 6.06 0.25 0.00 1.69 0.00 -1.26 -5.04 105.19 106.88 1x3c n GLY 34 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1x3c n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3c n PHE 36 N -1.42 -1.32 -3.84 0.00 3.01 -1.26 -4.91 117.46 107.71 1x3c n PHE 36 Ca 0.00 0.42 -0.30 0.00 1.01 0.00 0.00 57.45 58.58 1x3c n PHE 36 Cb 0.26 -2.84 -0.14 0.00 -0.01 0.00 0.00 39.48 36.74 1x3c n PHE 36 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x3c s ALA 37 N -4.07 2.37 -0.15 4.37 0.00 -1.26 -5.06 121.76 117.95 1x3c s ALA 37 Ca 0.18 -2.42 0.00 0.00 0.00 0.00 0.00 51.96 49.72 1x3c s ALA 37 Cb -0.10 -1.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.14 1x3c s ALA 37 CO 0.99 -1.84 -0.15 0.00 0.00 0.00 0.00 175.76 174.76 1x3c s ALA 38 N 0.77 2.50 0.49 0.00 0.00 -1.26 -2.81 121.76 121.45 1x3c s ALA 38 Ca 0.13 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1x3c s ALA 38 Cb -0.21 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 1x3c s ALA 38 CO -0.09 -0.03 0.11 -0.06 0.00 0.00 0.00 175.76 175.68 1x3c s PHE 39 N 0.81 2.01 -0.19 0.00 0.08 -0.82 -4.93 117.98 114.94 1x3c s PHE 39 Ca -0.05 -0.84 0.18 0.00 0.12 0.00 0.00 56.93 56.33 1x3c s PHE 39 Cb -0.15 -1.74 -0.25 0.00 -0.57 0.00 0.00 43.02 40.31 1x3c s PHE 39 CO -0.00 0.12 0.12 2.41 -0.10 0.00 0.00 175.22 177.76 1x3c n THR 40 N -1.32 1.41 -3.83 0.64 -1.04 -1.26 -3.35 114.28 105.53 1x3c n THR 40 Ca -0.11 -0.85 -0.37 0.00 -2.04 0.00 0.00 64.05 60.68 1x3c n THR 40 Cb 0.66 -0.51 -0.06 0.00 -1.82 0.00 0.00 70.33 68.60 1x3c n THR 40 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1x3c s ILE 41 N -2.50 5.47 0.28 12.58 1.01 -1.26 -4.85 121.20 131.93 1x3c s ILE 41 Ca -0.10 0.23 0.13 0.00 0.00 0.00 0.00 60.65 60.92 1x3c s ILE 41 Cb 0.06 -3.43 0.04 0.00 0.01 0.00 0.00 42.46 39.14 1x3c s ILE 41 CO 0.83 0.58 1.69 -0.61 0.00 0.00 0.00 174.94 177.43 1x3c h GLN 42 N 5.33 0.00 0.52 2.79 4.15 -1.99 -3.13 115.11 122.78 1x3c h GLN 42 Ca -0.52 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.88 1x3c h GLN 42 Cb 1.21 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.91 1x3c h GLN 42 CO 0.62 0.51 -0.25 0.37 -1.93 0.00 0.00 178.83 178.15 1x3c h GLN 43 N 0.00 -0.68 0.00 1.69 5.75 -1.97 -2.80 115.11 117.10 1x3c h GLN 43 Ca -0.01 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1x3c h GLN 43 Cb 0.95 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1x3c h GLN 43 CO 0.07 -0.39 0.13 0.27 -2.65 0.00 0.00 178.83 176.26 1x3c n ASN 44 N -5.26 0.24 0.02 -0.69 0.23 -1.24 0.08 115.26 108.64 1x3c n ASN 44 Ca -0.10 0.54 -0.06 0.00 -0.53 0.00 0.00 54.58 54.42 1x3c n ASN 44 Cb 0.31 -0.54 -0.12 0.00 -2.08 0.00 0.00 39.78 37.35 1x3c n ASN 44 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1x3c h LEU 45 N 0.00 0.00 0.80 -4.53 5.85 -1.45 -3.30 115.31 112.68 1x3c h LEU 45 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1x3c h LEU 45 Cb 0.26 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.30 1x3c h LEU 45 CO 0.00 0.92 -0.38 0.40 -0.34 0.00 0.00 178.44 179.04 1x3c h ILE 46 N 0.00 0.16 -0.82 4.05 2.04 -0.14 -3.01 117.51 119.79 1x3c h ILE 46 Ca -0.17 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 65.74 1x3c h ILE 46 Cb 1.85 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 38.02 1x3c h ILE 46 CO 0.09 0.01 0.42 -0.07 0.00 0.00 0.00 178.15 178.60 1x3c h LEU 47 N -1.15 0.52 -0.97 1.44 -0.00 -1.73 -0.48 115.31 112.93 1x3c h LEU 47 Ca -0.11 0.08 0.26 0.00 -0.00 0.00 0.00 57.88 58.12 1x3c h LEU 47 Cb 0.84 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.36 1x3c h LEU 47 CO 0.18 0.24 0.52 -0.74 -0.00 0.00 0.00 178.44 178.64 1x3c h HIS 48 N 0.63 0.88 0.00 1.13 -0.00 -1.61 1.66 115.15 117.84 1x3c h HIS 48 Ca 0.44 0.04 -0.12 0.00 -0.00 0.00 0.00 60.37 60.73 1x3c h HIS 48 Cb 0.59 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 1x3c h HIS 48 CO -0.10 -0.04 -0.58 1.88 -0.00 0.00 0.00 177.93 179.09 1x3c h TYR 49 N 0.45 0.00 0.00 5.26 -1.99 -1.01 0.09 116.97 119.77 1x3c h TYR 49 Ca 0.65 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.38 1x3c h TYR 49 Cb 1.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.04 1x3c h TYR 49 CO -0.05 0.58 -0.67 1.04 -0.00 0.00 0.00 178.16 179.07 1x3c n GLN 50 N -3.44 0.20 -0.11 4.88 6.02 0.24 0.25 117.38 125.42 1x3c n GLN 50 Ca 0.00 0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 56.92 1x3c n GLN 50 Cb 0.69 -1.61 -0.15 0.00 1.02 0.00 0.00 30.24 30.19 1x3c n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x3c n ALA 51 N -1.73 1.49 -0.10 -1.58 0.00 0.50 -3.44 120.51 115.65 1x3c n ALA 51 Ca 0.04 -1.27 -0.17 0.00 0.00 0.00 0.00 53.44 52.04 1x3c n ALA 51 Cb 0.41 -0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 1x3c n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x3c n VAL 52 N -2.87 1.50 -0.06 0.00 0.31 0.01 -4.54 118.33 112.67 1x3c n VAL 52 Ca -0.36 -0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.05 1x3c n VAL 52 Cb 1.11 -2.16 0.27 0.00 -0.91 0.00 0.00 33.84 32.15 1x3c n VAL 52 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1x3c n HIS 53 N -4.41 0.76 -3.47 3.52 8.25 -0.83 -4.95 115.22 114.10 1x3c n HIS 53 Ca -0.29 -0.39 -0.26 0.00 -0.26 0.00 0.00 57.72 56.53 1x3c n HIS 53 Cb 0.62 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.68 1x3c n HIS 53 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1x3c n LYS 54 N 1.59 -0.84 -3.20 -0.41 5.02 0.14 -4.82 118.16 115.64 1x3c n LYS 54 Ca 0.22 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.47 1x3c n LYS 54 Cb 0.62 -2.90 -0.04 0.00 -0.02 0.00 0.00 35.03 32.69 1x3c n LYS 54 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x3c n SER 55 N -1.33 0.77 -5.00 4.39 3.41 0.27 -4.87 113.62 111.25 1x3c n SER 55 Ca 0.04 -2.10 -0.18 0.00 -0.26 0.00 0.00 58.87 56.36 1x3c n SER 55 Cb 0.31 0.60 0.02 0.00 -0.26 0.00 0.00 64.21 64.87 1x3c n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x3c s ASP 56 N -2.25 5.41 0.38 4.04 -1.08 -1.26 -3.46 116.67 118.45 1x3c s ASP 56 Ca 0.13 -0.60 -0.18 0.00 -0.52 0.00 0.00 52.55 51.38 1x3c s ASP 56 Cb 0.01 -0.34 -0.10 0.00 -1.46 0.00 0.00 42.92 41.02 1x3c s ASP 56 CO 0.09 -0.93 0.85 -0.76 0.52 0.00 0.00 175.17 174.94 1x3c s LEU 57 N -4.42 3.98 0.32 -1.34 2.01 -1.26 -4.98 118.68 112.99 1x3c s LEU 57 Ca 0.56 1.48 0.11 0.00 0.01 0.00 0.00 54.13 56.29 1x3c s LEU 57 Cb -0.08 -4.32 0.54 0.00 0.01 0.00 0.00 46.19 42.34 1x3c s LEU 57 CO 0.34 -0.30 1.72 1.55 1.01 0.00 0.00 176.35 180.67 1x3c h PRO 58 N 2.00 0.01 -4.45 1.29 0.13 -2.04 -3.45 132.00 125.49 1x3c h PRO 58 Ca -0.48 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.46 1x3c h PRO 58 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1x3c h PRO 58 CO 0.63 0.50 -0.69 0.00 -0.23 0.00 0.00 178.00 178.21 1x3c s ALA 59 N -3.92 0.75 0.35 -0.56 0.00 -1.26 -5.17 121.76 111.94 1x3c s ALA 59 Ca -0.02 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.68 1x3c s ALA 59 Cb 0.14 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1x3c s ALA 59 CO 0.75 -0.29 0.05 1.97 0.00 0.00 0.00 175.76 178.23 1x3c n PHE 60 N 0.05 0.52 -3.81 0.00 -1.74 -1.26 -5.17 117.46 106.05 1x3c n PHE 60 Ca -0.13 -1.91 -0.05 0.00 -0.56 0.00 0.00 57.45 54.79 1x3c n PHE 60 Cb 0.61 -0.14 -0.01 0.00 1.52 0.00 0.00 39.48 41.46 1x3c n PHE 60 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1x3c s SER 61 N -2.99 -0.19 1.00 5.98 1.04 -1.26 -5.16 113.70 112.13 1x3c s SER 61 Ca 0.07 -0.55 -0.20 0.00 0.48 0.00 0.00 55.95 55.75 1x3c s SER 61 Cb 0.00 0.61 -0.13 0.00 0.10 0.00 0.00 66.02 66.61 1x3c s SER 61 CO 0.05 -1.15 -0.89 0.00 0.98 0.00 0.00 173.24 172.24 1x3c n ALA 62 N -0.48 -5.26 -0.82 5.32 0.00 -1.26 -4.71 120.51 113.30 1x3c n ALA 62 Ca -0.05 -0.95 -0.08 0.00 0.00 0.00 0.00 53.44 52.35 1x3c n ALA 62 Cb 0.60 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 1x3c n ALA 62 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x3c n GLU 63 N 1.80 1.62 -1.18 0.00 0.28 -1.26 -4.95 120.64 116.96 1x3c n GLU 63 Ca -0.01 -0.69 -0.46 0.00 -0.16 0.00 0.00 57.16 55.84 1x3c n GLU 63 Cb 0.63 -1.60 -0.06 0.00 1.43 0.00 0.00 31.44 31.83 1x3c n GLU 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1x3c n VAL 64 N 1.96 0.00 -3.64 3.84 0.31 -1.26 -4.90 118.33 114.64 1x3c n VAL 64 Ca 0.26 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.31 1x3c n VAL 64 Cb 0.73 -0.15 -0.11 0.00 -0.91 0.00 0.00 33.84 33.39 1x3c n VAL 64 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1x3c s GLU 65 N 0.90 1.52 0.24 5.55 -6.30 -1.26 -5.05 118.70 114.30 1x3c s GLU 65 Ca 0.71 -2.50 -0.30 0.00 -2.50 0.00 0.00 54.97 50.38 1x3c s GLU 65 Cb -1.00 -2.30 -0.15 0.00 0.00 0.00 0.00 34.13 30.68 1x3c s GLU 65 CO 0.49 -1.30 1.08 0.39 0.02 0.00 0.00 175.26 175.94 1x3c n GLU 66 N 2.71 1.30 -3.33 4.30 -0.58 -1.26 -4.92 120.64 118.86 1x3c n GLU 66 Ca 0.21 0.46 -0.42 0.00 -0.42 0.00 0.00 57.16 56.99 1x3c n GLU 66 Cb 0.40 -1.88 -0.09 0.00 -0.57 0.00 0.00 31.44 29.30 1x3c n GLU 66 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1x3c s GLU 67 N -1.04 3.37 0.24 3.49 2.12 -1.26 -5.05 118.70 120.57 1x3c s GLU 67 Ca 0.65 -0.51 0.05 0.00 0.36 0.00 0.00 54.97 55.51 1x3c s GLU 67 Cb -0.76 -3.88 -0.05 0.00 0.26 0.00 0.00 34.13 29.70 1x3c s GLU 67 CO 0.56 -0.70 -0.03 -1.54 -0.54 0.00 0.00 175.26 173.01 1x3c s SER 68 N 1.78 2.18 -0.29 -1.70 1.04 -1.26 -4.91 113.70 110.54 1x3c s SER 68 Ca 0.13 -1.19 -0.17 0.00 0.48 0.00 0.00 55.95 55.20 1x3c s SER 68 Cb -0.16 -0.06 0.15 0.00 0.10 0.00 0.00 66.02 66.04 1x3c s SER 68 CO 0.13 -0.43 1.01 -0.83 0.98 0.00 0.00 173.24 174.10 1x3c s GLY 69 N -3.35 0.04 0.33 7.32 0.00 -1.26 -4.45 107.32 105.95 1x3c s GLY 69 Ca 0.28 3.15 0.12 0.00 0.00 0.00 0.00 44.72 48.27 1x3c s GLY 69 CO 0.09 2.51 1.73 -0.56 0.00 0.00 0.00 173.10 176.87 1x3c h PRO 70 N 5.74 0.00 -6.21 2.90 0.13 -1.97 -3.42 132.00 129.16 1x3c h PRO 70 Ca -0.28 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.34 1x3c h PRO 70 Cb 1.19 0.00 0.24 0.00 0.13 0.00 0.00 31.00 32.56 1x3c h PRO 70 CO 0.19 0.47 -1.94 0.45 -0.23 0.00 0.00 178.00 176.94 1x3c n SER 71 N -3.93 -3.71 -4.74 1.44 2.88 -1.26 -4.92 113.62 99.38 1x3c n SER 71 Ca -0.01 0.07 -0.37 0.00 -1.33 0.00 0.00 58.87 57.23 1x3c n SER 71 Cb 0.50 -0.74 -0.07 0.00 -0.75 0.00 0.00 64.21 63.15 1x3c n SER 71 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x3c s SER 72 N -1.26 6.49 0.00 -3.46 0.15 -1.26 -4.76 113.70 109.59 1x3c s SER 72 Ca 0.43 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1x3c s SER 72 Cb -0.05 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1x3c s SER 72 CO 0.71 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.88