#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 4.71 0.33 1.61 0.01 -1.26 -5.15 113.70 113.95 1x3c s SER 2 Ca 0.00 -1.07 0.02 0.00 1.31 0.00 0.00 55.95 56.21 1x3c s SER 2 Cb 0.00 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 1x3c s SER 2 CO 0.00 -0.87 0.38 -0.44 0.41 0.00 0.00 173.24 172.72 1x3c s SER 3 N -4.17 1.23 0.00 2.44 0.01 -1.26 -5.19 113.70 106.77 1x3c s SER 3 Ca 0.39 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1x3c s SER 3 Cb -0.01 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1x3c s SER 3 CO 0.23 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.31 1x3c n GLY 4 N -0.58 3.86 3.55 3.44 0.00 -1.26 -5.18 105.19 109.01 1x3c n GLY 4 Ca 0.04 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 1x3c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3c s SER 5 N -0.17 -0.67 0.23 1.61 0.15 -1.26 -5.18 113.70 108.42 1x3c s SER 5 Ca 0.00 1.25 0.01 0.00 0.70 0.00 0.00 55.95 57.91 1x3c s SER 5 Cb 0.00 1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 65.52 1x3c s SER 5 CO 0.00 -0.26 0.09 -0.94 1.20 0.00 0.00 173.24 173.33 1x3c s SER 6 N 0.21 1.02 0.12 5.45 1.04 -1.26 -5.18 113.70 115.10 1x3c s SER 6 Ca -0.01 -1.35 -0.20 0.00 0.48 0.00 0.00 55.95 54.87 1x3c s SER 6 Cb -0.04 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.32 1x3c s SER 6 CO 0.02 -0.72 0.49 -0.83 0.98 0.00 0.00 173.24 173.18 1x3c s GLY 7 N -3.26 -0.42 0.34 7.32 0.00 -1.26 -5.18 107.32 104.85 1x3c s GLY 7 Ca 0.36 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.40 1x3c s GLY 7 CO 0.12 -0.01 0.13 0.50 0.00 0.00 0.00 173.10 173.84 1x3c s ARG 8 N -3.45 1.72 0.20 2.90 0.52 -1.26 -5.18 118.95 114.41 1x3c s ARG 8 Ca 0.00 -2.01 0.01 0.00 -0.52 0.00 0.00 55.73 53.22 1x3c s ARG 8 Cb 0.00 -0.40 -0.05 0.00 0.52 0.00 0.00 34.95 35.02 1x3c s ARG 8 CO -0.10 -0.42 0.05 0.15 0.02 0.00 0.00 175.30 175.01 1x3c s LYS 9 N -3.79 1.19 0.26 3.54 3.01 -1.26 -5.16 119.74 117.54 1x3c s LYS 9 Ca 0.32 -1.61 -0.09 0.00 -1.01 0.00 0.00 55.97 53.58 1x3c s LYS 9 Cb 0.05 -0.16 -0.07 0.00 -1.01 0.00 0.00 37.83 36.64 1x3c s LYS 9 CO 0.16 -0.22 0.59 0.15 0.51 0.00 0.00 175.35 176.54 1x3c s LYS 10 N -3.99 3.79 0.36 1.68 -0.14 -1.26 -5.09 119.74 115.09 1x3c s LYS 10 Ca 0.30 0.28 -0.06 0.00 -1.36 0.00 0.00 55.97 55.13 1x3c s LYS 10 Cb 0.07 -2.60 0.09 0.00 -1.68 0.00 0.00 37.83 33.71 1x3c s LYS 10 CO 0.08 0.25 0.32 -0.35 -0.76 0.00 0.00 175.35 174.89 1x3c n PRO 11 N -0.40 -1.65 -3.65 -1.68 -0.04 -1.26 -5.10 135.00 121.22 1x3c n PRO 11 Ca 0.01 -0.52 -0.01 0.00 -0.04 0.00 0.00 63.50 62.94 1x3c n PRO 11 Cb 0.53 -0.48 -0.06 0.00 -0.04 0.00 0.00 33.50 33.44 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 -1.58 0.00 0.54 0.52 0.11 -1.26 -5.18 120.40 113.54 1x3c s VAL 12 Ca 0.21 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.32 1x3c s VAL 12 Cb -0.02 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1x3c s VAL 12 CO 0.16 0.00 0.44 -0.44 -3.33 0.00 0.00 175.10 171.93 1x3c s SER 13 N 1.02 4.69 0.24 3.54 0.01 -1.26 -5.15 113.70 116.78 1x3c s SER 13 Ca -0.06 -1.19 -0.17 0.00 1.31 0.00 0.00 55.95 55.84 1x3c s SER 13 Cb -0.03 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.57 1x3c s SER 13 CO -0.12 -1.11 0.56 0.00 0.41 0.00 0.00 173.24 172.98 1x3c s GLN 14 N -4.31 1.56 0.04 12.44 -2.07 -1.26 -5.18 119.66 120.89 1x3c s GLN 14 Ca 0.37 -1.05 0.01 0.00 -1.82 0.00 0.00 55.36 52.88 1x3c s GLN 14 Cb -0.03 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.40 1x3c s GLN 14 CO 0.23 -0.68 -0.06 -1.12 -1.32 0.00 0.00 175.29 172.34 1x3c s SER 15 N -2.94 0.73 0.06 12.60 0.01 -1.26 -5.13 113.70 117.77 1x3c s SER 15 Ca 0.15 -0.62 -0.31 0.00 1.31 0.00 0.00 55.95 56.48 1x3c s SER 15 Cb -0.02 0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.21 1x3c s SER 15 CO 0.05 -0.28 1.39 -0.76 0.41 0.00 0.00 173.24 174.05 1x3c s LEU 16 N -1.80 4.35 0.52 2.44 1.43 -1.26 -4.86 118.68 119.50 1x3c s LEU 16 Ca -0.08 2.21 0.45 0.00 -1.03 0.00 0.00 54.13 55.69 1x3c s LEU 16 Cb -0.07 -3.57 1.65 0.00 0.03 0.00 0.00 46.19 44.23 1x3c s LEU 16 CO -0.01 -0.68 1.54 -1.84 0.23 0.00 0.00 176.35 175.59 1x3c n GLU 17 N 4.69 -0.01 -1.81 1.70 0.28 -1.26 -4.42 120.64 119.80 1x3c n GLU 17 Ca 0.12 1.12 -0.41 0.00 -0.16 0.00 0.00 57.16 57.83 1x3c n GLU 17 Cb 0.43 -2.47 -0.01 0.00 1.43 0.00 0.00 31.44 30.82 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 -4.94 2.69 -2.00 -1.84 0.08 -1.26 -4.86 117.98 105.85 1x3c s PHE 18 Ca -0.06 1.01 0.11 0.00 0.12 0.00 0.00 56.93 58.12 1x3c s PHE 18 Cb 0.28 -4.02 0.66 0.00 -0.57 0.00 0.00 43.02 39.36 1x3c s PHE 18 CO 0.86 -3.19 1.10 -0.35 -0.10 0.00 0.00 175.22 173.54 1x3c n PRO 19 N 1.25 0.49 -4.13 0.24 -0.04 -1.26 -4.65 135.00 126.89 1x3c n PRO 19 Ca 0.04 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 1x3c n PRO 19 Cb 0.39 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1x3c n PRO 19 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1x3c s THR 20 N -2.00 0.42 -0.28 0.52 -1.32 -1.26 -5.02 115.64 106.69 1x3c s THR 20 Ca 0.17 -0.36 0.28 0.00 -1.21 0.00 0.00 61.69 60.56 1x3c s THR 20 Cb 0.08 -0.38 0.34 0.00 -1.51 0.00 0.00 72.50 71.03 1x3c s THR 20 CO 0.13 0.03 1.79 0.08 -2.21 0.00 0.00 174.62 174.44 1x3c h ARG 21 N 5.77 0.00 -4.79 7.08 -0.00 -1.94 -3.45 114.38 117.05 1x3c h ARG 21 Ca -0.29 0.00 -0.27 0.00 -0.00 0.00 0.00 59.98 59.42 1x3c h ARG 21 Cb 1.19 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 31.01 1x3c h ARG 21 CO 0.49 0.00 -0.71 1.52 -0.00 0.00 0.00 179.97 181.27 1x3c s TYR 22 N -3.39 0.98 -0.32 4.08 -0.85 -1.26 -5.11 117.35 111.48 1x3c s TYR 22 Ca 0.05 -0.80 -0.10 0.00 -0.52 0.00 0.00 57.07 55.70 1x3c s TYR 22 Cb 0.08 -0.54 -0.01 0.00 0.38 0.00 0.00 41.96 41.87 1x3c s TYR 22 CO 0.57 -0.07 0.18 -1.12 -1.52 0.00 0.00 175.55 173.59 1x3c s SER 23 N -2.82 5.68 0.00 -0.18 0.01 -1.26 -4.95 113.70 110.18 1x3c s SER 23 Ca 0.10 -0.53 0.13 0.00 1.31 0.00 0.00 55.95 56.96 1x3c s SER 23 Cb 0.02 -2.03 0.78 0.00 0.21 0.00 0.00 66.02 65.00 1x3c s SER 23 CO -0.02 -0.22 1.21 -0.81 0.41 0.00 0.00 173.24 173.81 1x3c n PRO 24 N 5.01 0.49 -4.09 12.44 -0.04 -1.26 -4.73 135.00 142.82 1x3c n PRO 24 Ca -0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.07 1x3c n PRO 24 Cb 0.49 -1.42 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.00 3.14 -0.49 0.54 5.04 -1.26 -5.09 117.35 117.23 1x3c s TYR 25 Ca 0.20 -0.04 0.03 0.00 -2.44 0.00 0.00 57.07 54.82 1x3c s TYR 25 Cb 0.09 -1.49 0.14 0.00 0.35 0.00 0.00 41.96 41.05 1x3c s TYR 25 CO 0.15 0.52 0.28 1.03 -1.34 0.00 0.00 175.55 176.19 1x3c s ARG 26 N -3.28 1.62 0.00 4.97 1.81 -1.26 -4.75 118.95 118.05 1x3c s ARG 26 Ca 0.31 -2.35 0.15 0.00 -1.72 0.00 0.00 55.73 52.12 1x3c s ARG 26 Cb -0.10 -2.72 0.74 0.00 -0.45 0.00 0.00 34.95 32.42 1x3c s ARG 26 CO 0.24 -1.17 1.41 -0.35 -0.68 0.00 0.00 175.30 174.75 1x3c n PRO 27 N 3.21 0.20 -4.06 3.54 -0.04 -1.26 -4.55 135.00 132.03 1x3c n PRO 27 Ca 0.10 0.15 -0.34 0.00 -0.04 0.00 0.00 63.50 63.37 1x3c n PRO 27 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1x3c n PRO 27 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1x3c s TYR 28 N -2.59 2.83 -0.04 0.54 2.02 -1.22 -5.07 117.35 113.83 1x3c s TYR 28 Ca 0.14 -1.48 0.02 0.00 -0.37 0.00 0.00 57.07 55.37 1x3c s TYR 28 Cb 0.10 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1x3c s TYR 28 CO 0.23 -0.74 -0.07 1.03 -1.57 0.00 0.00 175.55 174.42 1x3c s ARG 29 N 1.34 0.92 0.62 -0.62 0.52 -1.26 -1.88 118.95 118.58 1x3c s ARG 29 Ca 0.05 -0.20 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 1x3c s ARG 29 Cb -0.13 -0.87 -0.05 0.00 0.52 0.00 0.00 34.95 34.41 1x3c s ARG 29 CO -0.10 0.01 0.76 0.00 0.02 0.00 0.00 175.30 175.99 1x3c n VAL 31 N -1.91 1.55 -1.62 0.00 0.24 -1.26 -4.87 118.33 110.46 1x3c n VAL 31 Ca 0.13 -0.70 -0.65 0.00 -2.04 0.00 0.00 64.34 61.08 1x3c n VAL 31 Cb 0.48 -1.19 -0.10 0.00 -1.47 0.00 0.00 33.84 31.56 1x3c n VAL 31 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1x3c n HIS 32 N -3.15 1.63 -0.21 6.34 8.25 -1.26 -4.80 115.22 122.03 1x3c n HIS 32 Ca -0.35 1.01 -0.02 0.00 -0.26 0.00 0.00 57.72 58.10 1x3c n HIS 32 Cb 1.05 -2.26 0.05 0.00 1.12 0.00 0.00 29.99 29.95 1x3c n HIS 32 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1x3c h GLN 33 N 6.19 -0.05 -2.45 -0.41 5.75 -2.04 -1.73 115.11 120.37 1x3c h GLN 33 Ca -0.36 0.00 -0.61 0.00 -0.15 0.00 0.00 58.65 57.54 1x3c h GLN 33 Cb 1.38 0.01 -0.11 0.00 1.07 0.00 0.00 27.48 29.83 1x3c h GLN 33 CO 1.01 -0.04 1.82 0.41 -2.65 0.00 0.00 178.83 179.38 1x3c n GLY 34 N -1.44 4.62 3.56 2.39 0.00 -1.26 -4.78 105.19 108.28 1x3c n GLY 34 Ca 0.07 -1.84 -0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 5.21 3.61 -4.38 0.00 3.72 -1.26 -4.72 117.46 119.63 1x3c n PHE 36 Ca -0.11 -4.02 -0.20 0.00 -0.05 0.00 0.00 57.45 53.07 1x3c n PHE 36 Cb 0.51 -0.85 -0.10 0.00 -0.94 0.00 0.00 39.48 38.10 1x3c n PHE 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x3c s ALA 37 N -1.89 2.16 -0.28 4.37 0.00 -1.26 -5.05 121.76 119.81 1x3c s ALA 37 Ca 0.31 -1.78 -0.22 0.00 0.00 0.00 0.00 51.96 50.27 1x3c s ALA 37 Cb 0.01 0.07 0.11 0.00 0.00 0.00 0.00 23.12 23.31 1x3c s ALA 37 CO -0.08 -0.01 0.91 0.00 0.00 0.00 0.00 175.76 176.58 1x3c s ALA 38 N -3.01 -1.98 0.38 0.00 0.00 -1.26 -2.00 121.76 113.90 1x3c s ALA 38 Ca 0.26 2.04 0.04 0.00 0.00 0.00 0.00 51.96 54.30 1x3c s ALA 38 Cb 0.02 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1x3c s ALA 38 CO 0.09 -0.30 0.07 -0.06 0.00 0.00 0.00 175.76 175.56 1x3c s PHE 39 N 0.64 1.96 -0.25 0.00 0.40 -0.79 -5.01 117.98 114.93 1x3c s PHE 39 Ca -0.01 -1.02 -0.16 0.00 -0.60 0.00 0.00 56.93 55.13 1x3c s PHE 39 Cb -0.05 -1.34 -0.15 0.00 0.51 0.00 0.00 43.02 41.99 1x3c s PHE 39 CO -0.08 -0.01 -0.14 2.41 0.70 0.00 0.00 175.22 178.10 1x3c n THR 40 N -0.85 1.54 -3.14 0.64 -1.04 -1.26 -3.36 114.28 106.80 1x3c n THR 40 Ca -0.06 -0.28 -0.39 0.00 -2.04 0.00 0.00 64.05 61.29 1x3c n THR 40 Cb 0.66 -1.91 -0.06 0.00 -1.82 0.00 0.00 70.33 67.20 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 -2.46 4.69 0.36 12.58 1.01 -1.26 -4.78 121.20 131.34 1x3c s ILE 41 Ca -0.35 1.40 0.03 0.00 0.00 0.00 0.00 60.65 61.73 1x3c s ILE 41 Cb 0.11 -4.00 0.25 0.00 0.01 0.00 0.00 42.46 38.84 1x3c s ILE 41 CO 0.54 0.49 2.00 -0.61 0.00 0.00 0.00 174.94 177.35 1x3c h GLN 42 N 4.92 0.76 0.59 2.79 -0.00 -1.99 -2.75 115.11 119.42 1x3c h GLN 42 Ca -0.47 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 58.09 1x3c h GLN 42 Cb 1.21 -0.17 0.01 0.00 0.00 0.00 0.00 27.48 28.53 1x3c h GLN 42 CO 0.67 0.53 -0.28 0.37 0.00 0.00 0.00 178.83 180.11 1x3c h GLN 43 N 0.78 -0.76 0.00 1.69 5.75 -2.01 -2.58 115.11 117.98 1x3c h GLN 43 Ca 0.21 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1x3c h GLN 43 Cb -0.04 0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.68 1x3c h GLN 43 CO -0.04 -0.46 0.34 -0.91 -2.65 0.00 0.00 178.83 175.11 1x3c h ASN 44 N -1.10 0.00 0.73 -0.69 2.35 -1.95 0.84 115.58 115.76 1x3c h ASN 44 Ca -0.08 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.46 1x3c h ASN 44 Cb 0.66 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 1x3c h ASN 44 CO 0.13 0.00 -1.39 0.25 -1.65 0.00 0.00 177.43 174.77 1x3c h LEU 45 N 0.00 0.00 -0.68 1.61 5.85 -1.19 -3.28 115.31 117.62 1x3c h LEU 45 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1x3c h LEU 45 Cb 0.68 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1x3c h LEU 45 CO 0.00 0.73 0.41 0.40 -0.34 0.00 0.00 178.44 179.65 1x3c h ILE 46 N 0.00 1.20 -0.30 4.05 2.04 0.11 -2.84 117.51 121.77 1x3c h ILE 46 Ca -0.18 -0.43 -0.14 0.00 1.00 0.00 0.00 64.86 65.11 1x3c h ILE 46 Cb 1.71 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1x3c h ILE 46 CO 0.06 0.20 -0.37 -0.07 0.00 0.00 0.00 178.15 177.97 1x3c h LEU 47 N 0.92 0.84 -0.78 1.44 -0.00 -1.70 -3.18 115.31 112.86 1x3c h LEU 47 Ca 0.24 -0.49 0.32 0.00 -0.00 0.00 0.00 57.88 57.95 1x3c h LEU 47 Cb -0.03 -0.24 -0.14 0.00 -0.00 0.00 0.00 40.66 40.25 1x3c h LEU 47 CO -0.05 1.17 0.38 1.57 -0.00 0.00 0.00 178.44 181.51 1x3c n HIS 48 N -4.17 0.87 0.09 1.13 -0.00 -1.07 0.25 115.22 112.31 1x3c n HIS 48 Ca -0.04 0.92 -0.21 0.00 -0.00 0.00 0.00 57.72 58.40 1x3c n HIS 48 Cb 0.53 -1.32 -0.12 0.00 -0.00 0.00 0.00 29.99 29.08 1x3c n HIS 48 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.34 178.22 1x3c h TYR 49 N 0.00 0.96 0.00 1.57 -1.99 -1.62 -0.27 116.97 115.62 1x3c h TYR 49 Ca 0.64 -0.59 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1x3c h TYR 49 Cb 1.67 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.32 1x3c h TYR 49 CO -0.05 1.43 0.00 1.96 -0.00 0.00 0.00 178.16 181.50 1x3c h GLN 50 N 0.28 0.00 0.00 4.88 4.20 0.74 0.87 115.11 126.08 1x3c h GLN 50 Ca -0.17 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.31 1x3c h GLN 50 Cb 1.87 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.61 1x3c h GLN 50 CO 0.23 0.00 -2.21 0.00 -0.67 0.00 0.00 178.83 176.18 1x3c n ALA 51 N -1.93 2.00 -0.10 3.87 0.00 0.29 -3.48 120.51 121.16 1x3c n ALA 51 Ca 0.02 -1.01 -0.18 0.00 0.00 0.00 0.00 53.44 52.28 1x3c n ALA 51 Cb 0.33 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.57 1.40 -0.99 0.00 0.31 -0.12 -4.61 118.33 111.75 1x3c n VAL 52 Ca -0.21 -0.11 0.03 0.00 -0.01 0.00 0.00 64.34 64.04 1x3c n VAL 52 Cb 0.93 -2.02 0.34 0.00 -0.91 0.00 0.00 33.84 32.17 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 -4.21 1.89 -3.60 3.52 8.25 0.26 -4.94 115.22 116.41 1x3c n HIS 53 Ca -0.32 -0.94 -0.26 0.00 -0.26 0.00 0.00 57.72 55.94 1x3c n HIS 53 Cb 0.67 -0.52 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 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 0.06 -0.86 -3.01 -0.41 4.76 0.11 -4.79 118.16 114.02 1x3c n LYS 54 Ca 0.30 0.08 -0.09 0.00 -2.87 0.00 0.00 58.31 55.74 1x3c n LYS 54 Cb 1.18 -2.89 -0.02 0.00 -1.84 0.00 0.00 35.03 31.46 1x3c n LYS 54 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x3c n SER 55 N -1.53 -0.78 -4.85 4.39 7.64 -0.51 -4.85 113.62 113.13 1x3c n SER 55 Ca -0.02 -2.13 -0.27 0.00 1.01 0.00 0.00 58.87 57.46 1x3c n SER 55 Cb 0.36 1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 65.00 1x3c n SER 55 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1x3c s ASP 56 N -2.29 4.55 0.65 6.43 1.47 -1.26 0.13 116.67 126.35 1x3c s ASP 56 Ca 0.18 -1.25 -0.14 0.00 1.18 0.00 0.00 52.55 52.52 1x3c s ASP 56 Cb -0.00 0.23 -0.01 0.00 -0.34 0.00 0.00 42.92 42.80 1x3c s ASP 56 CO 0.13 -0.95 1.07 -0.76 0.68 0.00 0.00 175.17 175.34 1x3c s LEU 57 N -4.15 3.33 0.00 2.11 1.43 -1.26 -4.95 118.68 115.19 1x3c s LEU 57 Ca 0.32 1.81 -0.15 0.00 -1.03 0.00 0.00 54.13 55.07 1x3c s LEU 57 Cb -0.01 -4.53 0.23 0.00 0.03 0.00 0.00 46.19 41.91 1x3c s LEU 57 CO 0.19 -1.44 0.80 -0.81 0.23 0.00 0.00 176.35 175.33 1x3c n PRO 58 N -2.56 -2.62 -1.79 1.29 -0.04 -1.26 -4.85 135.00 123.17 1x3c n PRO 58 Ca 0.09 -1.29 -0.40 0.00 -0.04 0.00 0.00 63.50 61.86 1x3c n PRO 58 Cb 0.53 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1x3c n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x3c n ALA 59 N -4.39 3.83 -0.11 0.55 0.00 -1.26 -4.46 120.51 114.67 1x3c n ALA 59 Ca -0.15 -3.56 -0.24 0.00 0.00 0.00 0.00 53.44 49.49 1x3c n ALA 59 Cb 0.43 -3.57 -0.08 0.00 0.00 0.00 0.00 19.45 16.23 1x3c n ALA 59 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1x3c n PHE 60 N 8.40 0.00 -3.66 0.00 3.01 -1.26 -4.93 117.46 119.02 1x3c n PHE 60 Ca 0.49 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.66 1x3c n PHE 60 Cb 0.42 -0.81 -0.15 0.00 -0.01 0.00 0.00 39.48 38.93 1x3c n PHE 60 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1x3c s SER 61 N -6.99 3.83 0.00 4.37 0.01 -1.26 -5.00 113.70 108.67 1x3c s SER 61 Ca -0.31 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.41 1x3c s SER 61 Cb 0.12 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1x3c s SER 61 CO 0.40 -0.42 0.00 0.00 0.41 0.00 0.00 173.24 173.63 1x3c n ALA 62 N 4.96 2.40 -3.14 1.44 0.00 -1.26 -4.94 120.51 119.98 1x3c n ALA 62 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 1x3c n ALA 62 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 1x3c n ALA 62 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x3c n GLU 63 N -1.61 3.98 -4.07 0.00 4.07 -1.26 -5.00 120.64 116.75 1x3c n GLU 63 Ca 0.00 -4.57 -0.13 0.00 -0.06 0.00 0.00 57.16 52.41 1x3c n GLU 63 Cb 0.00 -2.47 -0.11 0.00 -0.06 0.00 0.00 31.44 28.80 1x3c n GLU 63 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1x3c s VAL 64 N -2.55 0.54 -0.41 6.31 0.11 -1.26 -5.12 120.40 118.03 1x3c s VAL 64 Ca 0.32 -1.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1x3c s VAL 64 Cb 0.05 -0.75 0.15 0.00 -1.53 0.00 0.00 36.38 34.30 1x3c s VAL 64 CO 0.06 -0.45 0.26 -0.70 -3.33 0.00 0.00 175.10 170.93 1x3c s GLU 65 N -1.89 0.99 -0.71 1.54 2.56 -1.26 -5.08 118.70 114.86 1x3c s GLU 65 Ca -0.07 -1.83 -0.27 0.00 0.00 0.00 0.00 54.97 52.80 1x3c s GLU 65 Cb -0.08 -1.82 0.02 0.00 2.00 0.00 0.00 34.13 34.24 1x3c s GLU 65 CO -0.00 -1.23 1.43 -1.21 -0.56 0.00 0.00 175.26 173.68 1x3c s GLU 66 N 0.48 3.05 -0.02 4.30 8.01 -1.26 -4.85 118.70 128.41 1x3c s GLU 66 Ca 0.21 -0.02 -0.23 0.00 0.01 0.00 0.00 54.97 54.94 1x3c s GLU 66 Cb -0.18 -4.23 -0.22 0.00 -4.31 0.00 0.00 34.13 25.20 1x3c s GLU 66 CO -0.04 -2.29 1.11 1.49 0.01 0.00 0.00 175.26 175.54 1x3c h GLU 67 N 11.28 0.26 -1.55 1.61 4.22 -2.08 -3.48 114.58 124.83 1x3c h GLU 67 Ca -0.27 -0.24 0.23 0.00 0.08 0.00 0.00 59.36 59.15 1x3c h GLU 67 Cb 1.08 0.06 -0.19 0.00 0.50 0.00 0.00 28.75 30.20 1x3c h GLU 67 CO 1.26 0.92 0.77 0.45 -2.18 0.00 0.00 179.01 180.23 1x3c s SER 68 N -6.36 -0.17 -0.11 1.04 0.15 -1.26 -5.17 113.70 101.82 1x3c s SER 68 Ca -0.15 0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.48 1x3c s SER 68 Cb 0.02 0.17 0.06 0.00 -1.71 0.00 0.00 66.02 64.56 1x3c s SER 68 CO 0.76 -0.27 0.22 -0.83 1.20 0.00 0.00 173.24 174.32 1x3c s GLY 69 N -2.10 -0.06 -0.29 9.45 0.00 -1.26 -5.12 107.32 107.95 1x3c s GLY 69 Ca 0.08 0.81 -0.29 0.00 0.00 0.00 0.00 44.72 45.33 1x3c s GLY 69 CO -0.05 1.76 1.66 2.56 0.00 0.00 0.00 173.10 179.03 1x3c s PRO 70 N 2.21 3.58 -0.14 2.90 0.04 -1.26 -4.97 135.00 137.35 1x3c s PRO 70 Ca 0.00 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 1x3c s PRO 70 Cb -0.12 -4.10 0.06 0.00 0.04 0.00 0.00 34.50 30.38 1x3c s PRO 70 CO -0.08 -1.55 0.32 -1.54 0.04 0.00 0.00 177.00 174.19 1x3c s SER 71 N 4.93 -0.27 -0.08 6.66 1.04 -1.26 -5.16 113.70 119.56 1x3c s SER 71 Ca 0.73 0.71 -0.32 0.00 0.48 0.00 0.00 55.95 57.55 1x3c s SER 71 Cb -0.22 0.67 0.12 0.00 0.10 0.00 0.00 66.02 66.69 1x3c s SER 71 CO 0.32 -0.19 1.21 -0.94 0.98 0.00 0.00 173.24 174.61 1x3c s SER 72 N 1.60 -0.12 0.00 7.02 1.04 -1.26 -5.34 113.70 116.64 1x3c s SER 72 Ca -0.07 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1x3c s SER 72 Cb -0.10 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1x3c s SER 72 CO -0.10 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.39