#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 -0.05 0.32 1.61 1.04 -1.26 -5.19 113.70 110.17 1x3c s SER 2 Ca 0.00 -0.90 -0.19 0.00 0.48 0.00 0.00 55.95 55.35 1x3c s SER 2 Cb 0.00 0.73 0.05 0.00 0.10 0.00 0.00 66.02 66.89 1x3c s SER 2 CO 0.00 -1.39 0.81 -0.94 0.98 0.00 0.00 173.24 172.70 1x3c s SER 3 N -3.01 -0.08 0.00 7.02 1.04 -1.26 -5.17 113.70 112.25 1x3c s SER 3 Ca 0.16 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1x3c s SER 3 Cb -0.04 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1x3c s SER 3 CO 0.10 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1x3c n GLY 4 N -0.53 2.40 3.82 7.32 0.00 -1.26 -5.20 105.19 111.75 1x3c n GLY 4 Ca -0.06 0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.20 0.31 1.61 1.04 -1.26 -5.19 113.70 110.01 1x3c s SER 5 Ca 0.00 -0.58 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 1x3c s SER 5 Cb 0.00 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 1x3c s SER 5 CO 0.00 -1.21 0.40 -0.94 0.98 0.00 0.00 173.24 172.47 1x3c s SER 6 N -2.95 0.83 0.21 7.02 1.04 -1.26 -5.19 113.70 113.40 1x3c s SER 6 Ca 0.12 -1.45 -0.22 0.00 0.48 0.00 0.00 55.95 54.87 1x3c s SER 6 Cb -0.04 0.60 0.06 0.00 0.10 0.00 0.00 66.02 66.74 1x3c s SER 6 CO 0.06 -1.19 0.94 -0.83 0.98 0.00 0.00 173.24 173.20 1x3c s GLY 7 N -3.22 -0.03 -0.28 7.32 0.00 -1.26 -5.18 107.32 104.66 1x3c s GLY 7 Ca 0.32 -0.18 -0.23 0.00 0.00 0.00 0.00 44.72 44.63 1x3c s GLY 7 CO 0.19 0.65 1.01 1.09 0.00 0.00 0.00 173.10 176.05 1x3c s ARG 8 N -2.88 0.48 0.17 2.90 3.03 -1.26 -5.18 118.95 116.20 1x3c s ARG 8 Ca 0.15 0.63 -0.00 0.00 2.03 0.00 0.00 55.73 58.54 1x3c s ARG 8 Cb -0.03 0.21 -0.04 0.00 -1.03 0.00 0.00 34.95 34.06 1x3c s ARG 8 CO 0.05 -0.07 0.06 0.15 -1.13 0.00 0.00 175.30 174.36 1x3c s LYS 9 N 0.49 1.07 0.02 3.89 1.02 -1.26 -5.17 119.74 119.81 1x3c s LYS 9 Ca 0.00 -1.53 -0.26 0.00 0.02 0.00 0.00 55.97 54.21 1x3c s LYS 9 Cb -0.05 0.07 0.06 0.00 -0.52 0.00 0.00 37.83 37.39 1x3c s LYS 9 CO -0.08 -0.25 0.59 0.15 -0.92 0.00 0.00 175.35 174.84 1x3c s LYS 10 N -4.03 1.07 0.25 1.68 1.02 -1.26 -5.15 119.74 113.32 1x3c s LYS 10 Ca 0.28 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.91 1x3c s LYS 10 Cb 0.07 0.50 -0.09 0.00 -0.52 0.00 0.00 37.83 37.78 1x3c s LYS 10 CO 0.05 -0.38 1.26 -1.25 -0.92 0.00 0.00 175.35 174.12 1x3c s PRO 11 N -2.09 4.43 -0.13 -1.68 0.04 -1.26 -5.04 135.00 129.27 1x3c s PRO 11 Ca -0.07 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1x3c s PRO 11 Cb -0.01 -3.16 0.04 0.00 0.04 0.00 0.00 34.50 31.41 1x3c s PRO 11 CO 0.02 -0.14 0.39 0.54 0.04 0.00 0.00 177.00 177.85 1x3c s VAL 12 N -0.53 0.01 -0.28 -0.36 0.11 -1.26 -5.14 120.40 112.96 1x3c s VAL 12 Ca 0.52 -0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.55 1x3c s VAL 12 Cb -0.36 -0.56 0.07 0.00 -1.53 0.00 0.00 36.38 33.99 1x3c s VAL 12 CO 0.43 -0.03 -0.07 -0.44 -3.33 0.00 0.00 175.10 171.67 1x3c s SER 13 N 0.03 4.45 0.39 3.54 0.01 -1.26 -5.11 113.70 115.75 1x3c s SER 13 Ca -0.02 -1.55 -0.26 0.00 1.31 0.00 0.00 55.95 55.44 1x3c s SER 13 Cb -0.03 -1.52 -0.09 0.00 0.21 0.00 0.00 66.02 64.59 1x3c s SER 13 CO 0.01 -0.24 1.20 -1.58 0.41 0.00 0.00 173.24 173.04 1x3c s GLN 14 N 1.09 4.11 0.19 12.44 2.00 -1.26 -5.04 119.66 133.20 1x3c s GLN 14 Ca -0.04 1.93 0.04 0.00 -2.00 0.00 0.00 55.36 55.29 1x3c s GLN 14 Cb -0.20 -2.77 -0.03 0.00 0.80 0.00 0.00 33.01 30.81 1x3c s GLN 14 CO -0.06 -0.30 0.26 0.45 -0.50 0.00 0.00 175.29 175.14 1x3c s SER 15 N -0.98 6.02 0.44 6.67 0.15 -1.26 -5.13 113.70 119.60 1x3c s SER 15 Ca 0.55 0.01 0.06 0.00 0.70 0.00 0.00 55.95 57.28 1x3c s SER 15 Cb -0.33 -1.71 -0.05 0.00 -1.71 0.00 0.00 66.02 62.22 1x3c s SER 15 CO 0.42 0.01 0.14 -1.48 1.20 0.00 0.00 173.24 173.53 1x3c s LEU 16 N -3.49 2.93 -0.24 3.45 0.05 -1.26 -5.07 118.68 115.06 1x3c s LEU 16 Ca 0.33 -1.23 0.04 0.00 0.05 0.00 0.00 54.13 53.32 1x3c s LEU 16 Cb -0.10 -1.21 -0.19 0.00 -2.05 0.00 0.00 46.19 42.64 1x3c s LEU 16 CO 0.27 -0.61 -0.12 1.21 -0.55 0.00 0.00 176.35 176.55 1x3c n GLU 17 N -1.23 0.66 -3.43 1.48 4.07 -1.26 -4.81 120.64 116.13 1x3c n GLU 17 Ca -0.04 0.14 -0.44 0.00 -0.06 0.00 0.00 57.16 56.76 1x3c n GLU 17 Cb 0.65 -1.54 -0.07 0.00 -0.06 0.00 0.00 31.44 30.42 1x3c n GLU 17 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1x3c s PHE 18 N -2.52 3.32 -1.19 4.31 0.08 -1.26 -5.00 117.98 115.72 1x3c s PHE 18 Ca -0.30 -1.50 -0.23 0.00 0.12 0.00 0.00 56.93 55.02 1x3c s PHE 18 Cb 0.08 -3.59 -0.09 0.00 -0.57 0.00 0.00 43.02 38.86 1x3c s PHE 18 CO 0.65 -0.98 1.93 -1.25 -0.10 0.00 0.00 175.22 175.47 1x3c s PRO 19 N 1.50 2.50 -0.21 0.24 0.04 -1.26 -4.80 135.00 133.01 1x3c s PRO 19 Ca 0.04 -1.19 -0.33 0.00 0.04 0.00 0.00 61.00 59.56 1x3c s PRO 19 Cb -0.28 -5.25 0.15 0.00 0.04 0.00 0.00 34.50 29.16 1x3c s PRO 19 CO 0.02 -4.00 1.21 -0.08 0.04 0.00 0.00 177.00 174.19 1x3c s THR 20 N 11.04 0.00 0.34 1.26 -1.32 -1.26 -5.02 115.64 120.68 1x3c s THR 20 Ca 0.68 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.23 1x3c s THR 20 Cb -0.01 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.29 1x3c s THR 20 CO 0.14 0.00 1.88 0.03 -2.21 0.00 0.00 174.62 174.45 1x3c h ARG 21 N 2.09 0.74 -2.47 7.08 -0.00 -2.07 -3.44 114.38 116.31 1x3c h ARG 21 Ca -0.10 -0.04 0.08 0.00 -0.50 0.00 0.00 59.98 59.41 1x3c h ARG 21 Cb 1.17 -0.17 -0.14 0.00 0.00 0.00 0.00 29.97 30.83 1x3c h ARG 21 CO 0.24 0.49 0.42 1.52 0.00 0.00 0.00 179.97 182.64 1x3c s TYR 22 N -5.73 -0.39 -0.53 3.04 -0.85 -1.26 -5.12 117.35 106.50 1x3c s TYR 22 Ca -0.10 0.24 -0.16 0.00 -0.52 0.00 0.00 57.07 56.52 1x3c s TYR 22 Cb 0.21 0.55 0.12 0.00 0.38 0.00 0.00 41.96 43.22 1x3c s TYR 22 CO 0.79 -0.63 0.50 -1.12 -1.52 0.00 0.00 175.55 173.57 1x3c s SER 23 N -2.56 6.18 0.00 -0.18 0.01 -1.26 -4.91 113.70 110.99 1x3c s SER 23 Ca 0.04 -1.66 0.14 0.00 1.31 0.00 0.00 55.95 55.78 1x3c s SER 23 Cb -0.01 -2.21 0.67 0.00 0.21 0.00 0.00 66.02 64.67 1x3c s SER 23 CO -0.10 -0.85 1.44 -0.81 0.41 0.00 0.00 173.24 173.33 1x3c n PRO 24 N 5.35 0.09 -3.68 12.44 -0.04 -1.26 -4.58 135.00 143.33 1x3c n PRO 24 Ca -0.13 0.21 -0.38 0.00 -0.04 0.00 0.00 63.50 63.16 1x3c n PRO 24 Cb 0.41 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.25 1x3c n PRO 24 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1x3c s TYR 25 N -2.82 3.15 -0.52 0.54 5.04 -1.26 -5.06 117.35 116.43 1x3c s TYR 25 Ca 0.10 -0.34 -0.12 0.00 -2.44 0.00 0.00 57.07 54.26 1x3c s TYR 25 Cb 0.10 -2.31 0.13 0.00 0.35 0.00 0.00 41.96 40.22 1x3c s TYR 25 CO 0.25 -0.35 0.43 1.03 -1.34 0.00 0.00 175.55 175.57 1x3c s ARG 26 N 1.65 2.74 0.56 4.97 3.00 -1.26 -4.83 118.95 125.77 1x3c s ARG 26 Ca 0.06 -1.79 0.34 0.00 0.00 0.00 0.00 55.73 54.34 1x3c s ARG 26 Cb -0.16 -4.10 1.42 0.00 0.00 0.00 0.00 34.95 32.11 1x3c s ARG 26 CO 0.06 -1.26 2.00 -1.00 0.00 0.00 0.00 175.30 175.11 1x3c h PRO 27 N 8.58 0.00 -4.95 3.54 0.13 -1.85 -3.41 132.00 134.04 1x3c h PRO 27 Ca -0.23 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.23 1x3c h PRO 27 Cb 1.08 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.90 1x3c h PRO 27 CO 0.93 0.00 -0.75 0.71 -0.23 0.00 0.00 178.00 178.66 1x3c s TYR 28 N -3.69 2.99 -0.11 1.56 2.02 -1.23 -5.08 117.35 113.81 1x3c s TYR 28 Ca 0.01 -1.34 -0.01 0.00 -0.37 0.00 0.00 57.07 55.35 1x3c s TYR 28 Cb 0.09 -2.06 0.04 0.00 -0.40 0.00 0.00 41.96 39.62 1x3c s TYR 28 CO 0.54 -0.67 -0.01 0.50 -1.57 0.00 0.00 175.55 174.33 1x3c s ARG 29 N 1.38 0.89 0.10 -0.62 3.52 -1.26 -1.34 118.95 121.60 1x3c s ARG 29 Ca 0.03 -0.14 -0.23 0.00 -0.13 0.00 0.00 55.73 55.26 1x3c s ARG 29 Cb -0.15 -1.43 -0.13 0.00 -1.56 0.00 0.00 34.95 31.68 1x3c s ARG 29 CO -0.05 -0.38 0.50 0.00 -0.81 0.00 0.00 175.30 174.57 1x3c h VAL 31 N 1.19 0.35 -0.97 0.00 -1.51 -1.99 -3.44 116.25 109.88 1x3c h VAL 31 Ca -0.26 -1.51 -0.68 0.00 -1.23 0.00 0.00 66.70 63.03 1x3c h VAL 31 Cb 1.03 2.12 0.09 0.00 -2.13 0.00 0.00 31.29 32.40 1x3c h VAL 31 CO 0.43 0.20 -0.35 1.57 -1.23 0.00 0.00 177.57 178.18 1x3c n HIS 32 N -3.11 -0.17 -2.57 5.19 -0.00 -1.26 -4.80 115.22 108.51 1x3c n HIS 32 Ca 0.02 0.96 -0.43 0.00 -0.00 0.00 0.00 57.72 58.28 1x3c n HIS 32 Cb 0.62 -1.94 0.00 0.00 -0.00 0.00 0.00 29.99 28.68 1x3c n HIS 32 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1x3c n GLN 33 N 1.10 3.39 0.00 1.57 7.27 -1.26 -3.79 117.38 125.67 1x3c n GLN 33 Ca 0.18 -3.55 0.00 0.00 0.07 0.00 0.00 57.00 53.70 1x3c n GLN 33 Cb 0.20 -3.08 0.00 0.00 2.41 0.00 0.00 30.24 29.77 1x3c n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1x3c n GLY 34 N 3.78 0.97 0.02 1.69 0.00 -1.26 -5.05 105.19 105.35 1x3c n GLY 34 Ca 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.13 -1.75 -4.55 0.00 3.01 -1.26 -4.97 117.46 105.81 1x3c n PHE 36 Ca -0.07 0.62 -0.33 0.00 1.01 0.00 0.00 57.45 58.67 1x3c n PHE 36 Cb 0.60 -3.64 -0.11 0.00 -0.01 0.00 0.00 39.48 36.33 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 -3.75 2.99 -0.05 4.37 0.00 -1.26 -5.04 121.76 119.02 1x3c s ALA 37 Ca 0.19 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 1x3c s ALA 37 Cb -0.07 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.91 1x3c s ALA 37 CO 0.88 0.59 0.39 0.00 0.00 0.00 0.00 175.76 177.61 1x3c s ALA 38 N -0.90 -0.98 0.22 0.00 0.00 -1.26 -1.53 121.76 117.31 1x3c s ALA 38 Ca 0.15 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 1x3c s ALA 38 Cb -0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 1x3c s ALA 38 CO 0.04 -0.26 0.41 -0.06 0.00 0.00 0.00 175.76 175.89 1x3c s PHE 39 N -1.00 0.35 -0.21 0.00 0.08 -0.45 -5.01 117.98 111.74 1x3c s PHE 39 Ca -0.11 -0.70 -0.16 0.00 0.12 0.00 0.00 56.93 56.08 1x3c s PHE 39 Cb -0.04 0.11 -0.10 0.00 -0.57 0.00 0.00 43.02 42.42 1x3c s PHE 39 CO 0.04 -0.89 -0.20 2.41 -0.10 0.00 0.00 175.22 176.48 1x3c n THR 40 N -0.33 1.50 -2.82 0.64 -1.04 -1.26 -3.53 114.28 107.45 1x3c n THR 40 Ca -0.04 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 61.57 1x3c n THR 40 Cb 0.62 -2.14 -0.07 0.00 -1.82 0.00 0.00 70.33 66.93 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 -2.54 4.31 0.17 12.58 1.01 -1.26 -4.72 121.20 130.75 1x3c s ILE 41 Ca -0.29 1.65 0.32 0.00 0.00 0.00 0.00 60.65 62.33 1x3c s ILE 41 Cb 0.08 -3.83 0.36 0.00 0.01 0.00 0.00 42.46 39.08 1x3c s ILE 41 CO 0.44 -0.05 1.99 -0.61 0.00 0.00 0.00 174.94 176.72 1x3c h GLN 42 N 2.66 0.00 0.00 2.79 4.15 -2.00 -3.11 115.11 119.59 1x3c h GLN 42 Ca -0.48 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 58.88 1x3c h GLN 42 Cb 1.19 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1x3c h GLN 42 CO 0.63 0.05 -0.35 0.37 -1.93 0.00 0.00 178.83 177.61 1x3c h GLN 43 N 0.00 0.00 0.00 1.69 -0.00 -2.01 -3.30 115.11 111.48 1x3c h GLN 43 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1x3c h GLN 43 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.99 1x3c h GLN 43 CO 0.01 0.92 0.25 -0.91 0.00 0.00 0.00 178.83 179.09 1x3c h ASN 44 N -1.00 0.00 1.19 -0.69 2.35 -1.96 0.58 115.58 116.06 1x3c h ASN 44 Ca -0.09 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.54 1x3c h ASN 44 Cb 1.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 1x3c h ASN 44 CO -0.06 0.00 -0.85 0.25 -1.65 0.00 0.00 177.43 175.12 1x3c h LEU 45 N 0.00 0.00 0.53 1.61 5.85 -1.62 -3.34 115.31 118.34 1x3c h LEU 45 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1x3c h LEU 45 Cb 0.50 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.53 1x3c h LEU 45 CO 0.00 0.47 -0.25 0.40 -0.34 0.00 0.00 178.44 178.72 1x3c h ILE 46 N 0.00 0.00 -0.90 4.05 2.04 0.10 -3.15 117.51 119.66 1x3c h ILE 46 Ca -0.06 -0.15 0.24 0.00 1.00 0.00 0.00 64.86 65.89 1x3c h ILE 46 Cb 1.41 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.34 1x3c h ILE 46 CO 0.05 0.00 0.12 -0.07 0.00 0.00 0.00 178.15 178.25 1x3c h LEU 47 N -0.86 -0.24 -0.62 1.44 -0.00 -1.73 0.16 115.31 113.46 1x3c h LEU 47 Ca -0.07 0.23 0.12 0.00 -0.00 0.00 0.00 57.88 58.16 1x3c h LEU 47 Cb 0.55 0.36 -0.12 0.00 -0.00 0.00 0.00 40.66 41.45 1x3c h LEU 47 CO 0.12 -0.24 -0.23 -0.74 -0.00 0.00 0.00 178.44 177.34 1x3c h HIS 48 N 0.11 -0.58 0.00 1.13 -0.00 -1.67 2.03 115.15 116.17 1x3c h HIS 48 Ca 0.55 0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.95 1x3c h HIS 48 Cb 1.11 0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 28.86 1x3c h HIS 48 CO -0.38 -0.33 -0.14 1.88 -0.00 0.00 0.00 177.93 178.97 1x3c h TYR 49 N -0.07 0.00 0.00 5.26 0.05 -0.65 0.46 116.97 122.01 1x3c h TYR 49 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1x3c h TYR 49 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1x3c h TYR 49 CO -0.57 0.14 -0.79 1.04 -1.05 0.00 0.00 178.16 176.93 1x3c n GLN 50 N -3.81 0.09 -0.08 4.88 6.02 0.22 -1.10 117.38 123.59 1x3c n GLN 50 Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.90 1x3c n GLN 50 Cb 0.24 -1.53 -0.15 0.00 1.02 0.00 0.00 30.24 29.81 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 -1.61 1.70 -0.10 -1.58 0.00 0.63 -3.35 120.51 116.20 1x3c n ALA 51 Ca 0.04 -1.17 -0.15 0.00 0.00 0.00 0.00 53.44 52.17 1x3c n ALA 51 Cb 0.37 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.65 1.49 -0.39 0.00 0.31 0.15 -4.57 118.33 112.68 1x3c n VAL 52 Ca -0.28 0.02 0.08 0.00 -0.01 0.00 0.00 64.34 64.15 1x3c n VAL 52 Cb 1.05 -2.21 0.25 0.00 -0.91 0.00 0.00 33.84 32.02 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 -4.45 0.85 -3.33 3.52 8.25 -1.05 -4.95 115.22 114.06 1x3c n HIS 53 Ca -0.24 -0.55 -0.24 0.00 -0.26 0.00 0.00 57.72 56.43 1x3c n HIS 53 Cb 0.56 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 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 0.90 -0.85 -3.21 -0.41 5.02 -0.38 -4.81 118.16 114.42 1x3c n LYS 54 Ca 0.19 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.44 1x3c n LYS 54 Cb 0.61 -2.67 -0.04 0.00 -0.02 0.00 0.00 35.03 32.91 1x3c n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x3c n SER 55 N -1.17 0.36 -4.97 4.39 2.88 -0.26 -4.88 113.62 109.96 1x3c n SER 55 Ca 0.03 -2.14 -0.21 0.00 -1.33 0.00 0.00 58.87 55.22 1x3c n SER 55 Cb 0.28 0.71 0.03 0.00 -0.75 0.00 0.00 64.21 64.48 1x3c n SER 55 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x3c s ASP 56 N -2.26 5.34 0.13 -3.46 2.15 -1.26 -3.60 116.67 113.71 1x3c s ASP 56 Ca 0.16 0.01 0.06 0.00 0.43 0.00 0.00 52.55 53.21 1x3c s ASP 56 Cb 0.01 -0.94 -0.04 0.00 -0.30 0.00 0.00 42.92 41.65 1x3c s ASP 56 CO 0.11 -1.09 -0.13 -1.48 -0.17 0.00 0.00 175.17 172.41 1x3c s LEU 57 N -4.73 2.44 1.23 -1.34 -0.00 -1.26 -5.02 118.68 110.00 1x3c s LEU 57 Ca 0.56 -0.86 -0.20 0.00 -0.00 0.00 0.00 54.13 53.63 1x3c s LEU 57 Cb -0.10 -0.52 0.30 0.00 -0.00 0.00 0.00 46.19 45.86 1x3c s LEU 57 CO 0.38 -0.18 1.11 -2.16 -0.00 0.00 0.00 176.35 175.51 1x3c s PRO 58 N -2.92 -1.45 -0.10 1.48 0.04 -1.26 -5.10 135.00 125.69 1x3c s PRO 58 Ca 0.11 -0.15 -0.30 0.00 0.04 0.00 0.00 61.00 60.70 1x3c s PRO 58 Cb -0.03 -1.58 0.12 0.00 0.04 0.00 0.00 34.50 33.05 1x3c s PRO 58 CO 0.03 -3.84 0.99 0.00 0.04 0.00 0.00 177.00 174.22 1x3c s ALA 59 N -3.02 -1.91 -0.65 8.56 0.00 -1.26 -5.11 121.76 118.37 1x3c s ALA 59 Ca 0.72 1.34 0.03 0.00 0.00 0.00 0.00 51.96 54.04 1x3c s ALA 59 Cb -0.08 -0.12 0.16 0.00 0.00 0.00 0.00 23.12 23.08 1x3c s ALA 59 CO 0.56 -0.53 0.44 -0.06 0.00 0.00 0.00 175.76 176.17 1x3c s PHE 60 N -2.23 3.45 -1.68 0.00 0.40 -1.26 -4.82 117.98 111.83 1x3c s PHE 60 Ca 0.03 -3.15 -0.20 0.00 -0.60 0.00 0.00 56.93 53.01 1x3c s PHE 60 Cb -0.01 -2.90 0.20 0.00 0.51 0.00 0.00 43.02 40.83 1x3c s PHE 60 CO -0.04 -0.69 0.50 0.45 0.70 0.00 0.00 175.22 176.14 1x3c n SER 61 N 2.65 -1.47 -3.27 1.36 2.88 -1.26 -4.87 113.62 109.65 1x3c n SER 61 Ca 0.13 -1.13 -0.28 0.00 -1.33 0.00 0.00 58.87 56.26 1x3c n SER 61 Cb 0.35 -1.44 0.27 0.00 -0.75 0.00 0.00 64.21 62.63 1x3c n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x3c n ALA 62 N -3.74 -4.53 -2.44 -1.46 0.00 -1.26 -4.84 120.51 102.24 1x3c n ALA 62 Ca 0.08 -1.45 -0.38 0.00 0.00 0.00 0.00 53.44 51.69 1x3c n ALA 62 Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 1x3c n ALA 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x3c s GLU 63 N -5.02 3.38 0.39 0.00 -1.05 -1.26 -4.96 118.70 110.17 1x3c s GLU 63 Ca 0.63 -1.03 0.08 0.00 -0.15 0.00 0.00 54.97 54.50 1x3c s GLU 63 Cb -0.10 -5.31 -0.01 0.00 -0.44 0.00 0.00 34.13 28.27 1x3c s GLU 63 CO 0.52 -2.51 0.45 0.08 0.95 0.00 0.00 175.26 174.75 1x3c s VAL 64 N 6.15 3.16 -0.85 1.83 1.01 -1.26 -4.59 120.40 125.85 1x3c s VAL 64 Ca 0.52 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1x3c s VAL 64 Cb -0.01 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1x3c s VAL 64 CO -0.06 -0.05 0.26 1.21 0.00 0.00 0.00 175.10 176.45 1x3c n GLU 65 N -1.64 -2.26 -1.61 2.72 2.13 -1.26 -5.02 120.64 113.70 1x3c n GLU 65 Ca 0.04 0.50 -0.29 0.00 0.66 0.00 0.00 57.16 58.06 1x3c n GLU 65 Cb 0.60 -4.50 0.16 0.00 0.27 0.00 0.00 31.44 27.96 1x3c n GLU 65 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1x3c s GLU 66 N -5.02 0.72 -0.09 5.31 0.41 -1.26 -5.03 118.70 113.74 1x3c s GLU 66 Ca 0.13 0.03 0.04 0.00 -0.41 0.00 0.00 54.97 54.75 1x3c s GLU 66 Cb -0.06 -1.81 -0.08 0.00 -1.78 0.00 0.00 34.13 30.40 1x3c s GLU 66 CO 0.16 -2.43 -0.04 -0.85 -0.49 0.00 0.00 175.26 171.61 1x3c n GLU 67 N -3.88 1.36 -4.33 1.61 0.00 -1.26 -5.00 120.64 109.16 1x3c n GLU 67 Ca 0.10 0.03 -0.39 0.00 0.00 0.00 0.00 57.16 56.90 1x3c n GLU 67 Cb 0.60 -1.20 -0.07 0.00 0.00 0.00 0.00 31.44 30.76 1x3c n GLU 67 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1x3c n SER 68 N -2.57 -1.71 -4.44 -1.84 7.64 -1.26 -4.62 113.62 104.82 1x3c n SER 68 Ca -0.16 -1.12 -0.46 0.00 1.01 0.00 0.00 58.87 58.14 1x3c n SER 68 Cb 0.72 -1.50 -0.11 0.00 -1.01 0.00 0.00 64.21 62.30 1x3c n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3c n GLY 69 N -1.01 -0.16 3.69 0.23 0.00 -1.26 -4.89 105.19 101.79 1x3c n GLY 69 Ca 0.11 1.04 -0.29 0.00 0.00 0.00 0.00 46.02 46.88 1x3c n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3c s PRO 70 N 7.77 0.65 0.00 1.61 0.04 -1.26 -5.09 135.00 138.72 1x3c s PRO 70 Ca 1.23 0.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.82 1x3c s PRO 70 Cb -1.10 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 31.68 1x3c s PRO 70 CO 0.50 -2.60 0.10 0.45 0.04 0.00 0.00 177.00 175.49 1x3c s SER 71 N -3.44 0.05 -0.30 6.66 0.15 -1.26 -5.14 113.70 110.42 1x3c s SER 71 Ca 0.65 -0.22 -0.07 0.00 0.70 0.00 0.00 55.95 57.01 1x3c s SER 71 Cb -0.18 0.19 0.17 0.00 -1.71 0.00 0.00 66.02 64.49 1x3c s SER 71 CO 0.57 -0.32 0.75 -0.94 1.20 0.00 0.00 173.24 174.50 1x3c s SER 72 N -1.25 -1.05 0.00 5.45 1.04 -1.26 -5.31 113.70 111.32 1x3c s SER 72 Ca -0.13 0.85 0.14 0.00 0.48 0.00 0.00 55.95 57.28 1x3c s SER 72 Cb -0.07 1.96 0.11 0.00 0.10 0.00 0.00 66.02 68.11 1x3c s SER 72 CO 0.01 -0.20 0.95 0.61 0.98 0.00 0.00 173.24 175.59