#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 -0.23 0.05 1.61 0.15 -1.26 -5.19 113.70 108.83 1x3c s SER 2 Ca 0.00 0.39 -0.27 0.00 0.70 0.00 0.00 55.95 56.77 1x3c s SER 2 Cb 0.00 0.38 0.10 0.00 -1.71 0.00 0.00 66.02 64.79 1x3c s SER 2 CO 0.00 -0.12 1.19 -0.55 1.20 0.00 0.00 173.24 174.96 1x3c s SER 3 N -0.26 -0.04 0.00 5.45 0.15 -1.26 -5.19 113.70 112.56 1x3c s SER 3 Ca 0.05 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1x3c s SER 3 Cb -0.04 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1x3c s SER 3 CO -0.08 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1x3c n GLY 4 N -0.67 4.72 3.75 9.45 0.00 -1.26 -5.17 105.19 116.01 1x3c n GLY 4 Ca -0.03 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 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 0.35 -0.12 0.34 1.61 1.04 -1.26 -5.19 113.70 110.47 1x3c s SER 5 Ca 0.00 -0.40 -0.18 0.00 0.48 0.00 0.00 55.95 55.85 1x3c s SER 5 Cb 0.00 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.60 1x3c s SER 5 CO 0.00 -0.80 0.81 -0.55 0.98 0.00 0.00 173.24 173.68 1x3c s SER 6 N -3.03 -0.05 -0.13 7.02 0.15 -1.26 -5.19 113.70 111.21 1x3c s SER 6 Ca 0.14 -0.97 -0.30 0.00 0.70 0.00 0.00 55.95 55.51 1x3c s SER 6 Cb -0.00 0.78 0.13 0.00 -1.71 0.00 0.00 66.02 65.22 1x3c s SER 6 CO 0.02 -1.53 1.02 -0.83 1.20 0.00 0.00 173.24 173.11 1x3c s GLY 7 N -3.07 -0.31 0.33 9.45 0.00 -1.26 -5.19 107.32 107.28 1x3c s GLY 7 Ca 0.15 1.69 -0.10 0.00 0.00 0.00 0.00 44.72 46.47 1x3c s GLY 7 CO 0.10 0.74 0.59 0.50 0.00 0.00 0.00 173.10 175.02 1x3c s ARG 8 N -1.95 1.93 -0.28 2.90 0.52 -1.26 -5.18 118.95 115.64 1x3c s ARG 8 Ca 0.03 -1.51 -0.19 0.00 -0.52 0.00 0.00 55.73 53.53 1x3c s ARG 8 Cb -0.01 0.51 0.08 0.00 0.52 0.00 0.00 34.95 36.05 1x3c s ARG 8 CO -0.03 -0.84 0.70 -1.59 0.02 0.00 0.00 175.30 173.56 1x3c s LYS 9 N -3.07 0.75 0.01 3.54 -2.85 -1.26 -5.17 119.74 111.69 1x3c s LYS 9 Ca 0.23 1.15 0.03 0.00 -1.00 0.00 0.00 55.97 56.37 1x3c s LYS 9 Cb -0.02 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.97 1x3c s LYS 9 CO 0.14 -0.13 -0.08 0.15 0.10 0.00 0.00 175.35 175.53 1x3c s LYS 10 N 1.19 0.63 1.11 1.78 3.01 -1.26 -5.16 119.74 121.05 1x3c s LYS 10 Ca -0.06 -0.39 -0.16 0.00 -1.01 0.00 0.00 55.97 54.35 1x3c s LYS 10 Cb -0.05 -0.58 0.24 0.00 -1.01 0.00 0.00 37.83 36.43 1x3c s LYS 10 CO -0.13 0.15 1.10 -1.25 0.51 0.00 0.00 175.35 175.74 1x3c s PRO 11 N -0.48 -0.51 -0.08 -1.68 0.04 -1.26 -5.06 135.00 125.97 1x3c s PRO 11 Ca 0.01 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.25 1x3c s PRO 11 Cb -0.04 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 1x3c s PRO 11 CO -0.00 -3.29 -0.10 0.08 0.04 0.00 0.00 177.00 173.73 1x3c s VAL 12 N -2.99 3.39 -0.87 -0.36 1.01 -1.26 -5.07 120.40 114.25 1x3c s VAL 12 Ca 0.68 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1x3c s VAL 12 Cb -0.14 -2.38 0.23 0.00 0.00 0.00 0.00 36.38 34.08 1x3c s VAL 12 CO 0.57 0.57 0.82 -0.55 0.00 0.00 0.00 175.10 176.51 1x3c s SER 13 N -0.47 6.85 -0.19 3.32 0.15 -1.26 -4.98 113.70 117.11 1x3c s SER 13 Ca 0.06 -2.84 -0.27 0.00 0.70 0.00 0.00 55.95 53.60 1x3c s SER 13 Cb -0.12 -2.21 0.09 0.00 -1.71 0.00 0.00 66.02 62.07 1x3c s SER 13 CO 0.02 -0.53 0.81 -1.58 1.20 0.00 0.00 173.24 173.16 1x3c s GLN 14 N -0.07 0.80 -0.21 5.44 0.74 -1.26 -5.07 119.66 120.04 1x3c s GLN 14 Ca 0.20 0.58 -0.05 0.00 0.05 0.00 0.00 55.36 56.14 1x3c s GLN 14 Cb -0.10 0.38 -0.11 0.00 1.10 0.00 0.00 33.01 34.28 1x3c s GLN 14 CO -0.09 -0.17 -0.23 -1.13 -0.55 0.00 0.00 175.29 173.12 1x3c n SER 15 N 1.79 1.97 -3.93 6.67 3.41 -1.26 -5.07 113.62 117.21 1x3c n SER 15 Ca -0.15 0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.45 1x3c n SER 15 Cb 0.56 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 1x3c n SER 15 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1x3c s LEU 16 N -6.68 0.92 0.42 1.04 1.43 -1.26 -5.03 118.68 109.52 1x3c s LEU 16 Ca -0.29 -0.81 0.17 0.00 -1.03 0.00 0.00 54.13 52.17 1x3c s LEU 16 Cb 0.09 1.27 1.07 0.00 0.03 0.00 0.00 46.19 48.65 1x3c s LEU 16 CO 0.42 -0.89 1.88 1.05 0.23 0.00 0.00 176.35 179.04 1x3c h GLU 17 N 2.53 0.40 -6.68 1.70 4.11 -2.05 -3.41 114.58 111.19 1x3c h GLU 17 Ca -0.32 -0.02 -0.54 0.00 0.07 0.00 0.00 59.36 58.55 1x3c h GLU 17 Cb 1.23 -0.09 0.07 0.00 0.50 0.00 0.00 28.75 30.46 1x3c h GLU 17 CO 0.48 0.27 0.88 1.19 0.07 0.00 0.00 179.01 181.90 1x3c n PHE 18 N -4.50 2.65 0.01 2.06 3.72 -1.26 -4.93 117.46 115.21 1x3c n PHE 18 Ca 0.18 0.20 -0.13 0.00 -0.05 0.00 0.00 57.45 57.65 1x3c n PHE 18 Cb 0.64 -2.60 -0.09 0.00 -0.94 0.00 0.00 39.48 36.48 1x3c n PHE 18 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1x3c h PRO 19 N 5.57 -0.07 -0.94 -1.08 0.13 -2.06 -3.47 132.00 130.08 1x3c h PRO 19 Ca -0.45 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.87 1x3c h PRO 19 Cb 1.23 0.02 -0.29 0.00 0.13 0.00 0.00 31.00 32.09 1x3c h PRO 19 CO 0.86 0.39 0.51 -0.08 -0.23 0.00 0.00 178.00 179.45 1x3c s THR 20 N -4.22 -0.11 -0.13 1.56 -1.32 -1.26 -5.10 115.64 105.07 1x3c s THR 20 Ca -0.15 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.35 1x3c s THR 20 Cb 0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1x3c s THR 20 CO 0.64 0.00 -0.20 -0.60 -2.21 0.00 0.00 174.62 172.25 1x3c s ARG 21 N 1.63 3.12 0.65 7.08 6.06 -1.26 -5.13 118.95 131.10 1x3c s ARG 21 Ca -0.05 -0.82 -0.04 0.00 -2.50 0.00 0.00 55.73 52.32 1x3c s ARG 21 Cb -0.03 -2.45 0.05 0.00 0.06 0.00 0.00 34.95 32.59 1x3c s ARG 21 CO -0.14 0.10 0.93 1.52 -2.50 0.00 0.00 175.30 175.21 1x3c s TYR 22 N 0.57 2.88 -0.44 5.12 -0.85 -1.26 -5.04 117.35 118.33 1x3c s TYR 22 Ca -0.12 0.28 -0.21 0.00 -0.52 0.00 0.00 57.07 56.50 1x3c s TYR 22 Cb -0.16 -3.05 0.02 0.00 0.38 0.00 0.00 41.96 39.15 1x3c s TYR 22 CO 0.04 -1.24 0.69 -1.12 -1.52 0.00 0.00 175.55 172.39 1x3c s SER 23 N -4.49 6.35 0.31 -0.18 0.01 -1.26 -4.91 113.70 109.54 1x3c s SER 23 Ca 0.59 -0.26 0.26 0.00 1.31 0.00 0.00 55.95 57.85 1x3c s SER 23 Cb -0.11 -2.34 1.07 0.00 0.21 0.00 0.00 66.02 64.85 1x3c s SER 23 CO 0.43 -0.82 1.76 1.55 0.41 0.00 0.00 173.24 176.57 1x3c h PRO 24 N 8.90 0.00 -3.77 12.44 0.13 -2.06 -3.44 132.00 144.19 1x3c h PRO 24 Ca -0.25 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.76 1x3c h PRO 24 Cb 1.09 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.05 1x3c h PRO 24 CO 0.91 0.00 -0.48 -0.47 -0.23 0.00 0.00 178.00 177.73 1x3c s TYR 25 N -3.39 0.18 -0.30 1.56 5.04 -1.26 -5.14 117.35 114.04 1x3c s TYR 25 Ca 0.03 -0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 54.16 1x3c s TYR 25 Cb 0.09 -0.12 0.10 0.00 0.35 0.00 0.00 41.96 42.38 1x3c s TYR 25 CO 0.42 -0.40 0.09 1.03 -1.34 0.00 0.00 175.55 175.35 1x3c s ARG 26 N -2.81 0.65 0.45 4.97 0.52 -1.26 -4.90 118.95 116.56 1x3c s ARG 26 Ca -0.03 -0.94 0.30 0.00 -0.52 0.00 0.00 55.73 54.54 1x3c s ARG 26 Cb 0.00 -1.90 1.26 0.00 0.52 0.00 0.00 34.95 34.83 1x3c s ARG 26 CO -0.05 -0.95 1.89 -1.00 0.02 0.00 0.00 175.30 175.21 1x3c h PRO 27 N 8.14 0.00 -4.89 3.54 0.13 -1.89 -3.41 132.00 133.62 1x3c h PRO 27 Ca -0.15 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.29 1x3c h PRO 27 Cb 1.02 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.97 1x3c h PRO 27 CO 0.45 0.00 -0.18 0.71 -0.23 0.00 0.00 178.00 178.76 1x3c s TYR 28 N -3.55 3.16 0.03 1.56 1.51 -1.14 -5.05 117.35 113.86 1x3c s TYR 28 Ca 0.02 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 1x3c s TYR 28 Cb 0.09 -2.96 -0.02 0.00 -0.11 0.00 0.00 41.96 38.96 1x3c s TYR 28 CO 0.48 -0.73 -0.17 0.50 -1.11 0.00 0.00 175.55 174.53 1x3c s ARG 29 N 2.19 1.16 0.33 -0.62 3.00 -1.26 -0.73 118.95 123.01 1x3c s ARG 29 Ca 0.13 -0.76 -0.29 0.00 -1.00 0.00 0.00 55.73 53.80 1x3c s ARG 29 Cb -0.17 -1.19 -0.11 0.00 0.00 0.00 0.00 34.95 33.48 1x3c s ARG 29 CO 0.14 0.31 1.42 0.00 0.00 0.00 0.00 175.30 177.16 1x3c n VAL 31 N 1.06 0.29 -1.65 0.00 0.24 -1.26 -4.81 118.33 112.20 1x3c n VAL 31 Ca 0.02 -0.18 -0.39 0.00 -2.04 0.00 0.00 64.34 61.75 1x3c n VAL 31 Cb 0.40 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 1x3c n VAL 31 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1x3c s HIS 32 N -3.09 1.21 0.05 6.34 3.76 -1.26 -4.87 115.29 117.44 1x3c s HIS 32 Ca 0.10 1.05 -0.10 0.00 -0.15 0.00 0.00 55.06 55.95 1x3c s HIS 32 Cb 0.15 -3.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.02 1x3c s HIS 32 CO 0.65 -3.13 1.17 0.94 -0.85 0.00 0.00 174.74 173.51 1x3c n GLN 33 N 8.89 -0.15 -1.02 1.40 7.27 -1.26 -1.24 117.38 131.26 1x3c n GLN 33 Ca 0.32 1.16 -0.27 0.00 0.07 0.00 0.00 57.00 58.27 1x3c n GLN 33 Cb 0.50 -1.72 -0.05 0.00 2.41 0.00 0.00 30.24 31.39 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 -1.08 3.55 3.14 1.69 0.00 -1.26 -4.68 105.19 106.54 1x3c n GLY 34 Ca 0.01 -1.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 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 5.41 2.51 -4.30 0.00 3.01 -1.26 -4.81 117.46 118.01 1x3c n PHE 36 Ca -0.04 -2.64 -0.16 0.00 1.01 0.00 0.00 57.45 55.63 1x3c n PHE 36 Cb 0.50 -1.46 -0.10 0.00 -0.01 0.00 0.00 39.48 38.41 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 -2.15 1.64 -0.05 4.37 0.00 -1.26 -5.13 121.76 119.18 1x3c s ALA 37 Ca 0.36 -1.69 -0.31 0.00 0.00 0.00 0.00 51.96 50.33 1x3c s ALA 37 Cb 0.10 0.47 0.11 0.00 0.00 0.00 0.00 23.12 23.80 1x3c s ALA 37 CO 0.03 -0.26 1.09 0.00 0.00 0.00 0.00 175.76 176.62 1x3c s ALA 38 N -3.48 -1.96 0.34 0.00 0.00 -1.26 -3.23 121.76 112.16 1x3c s ALA 38 Ca 0.26 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 1x3c s ALA 38 Cb 0.05 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.46 1x3c s ALA 38 CO 0.07 -0.78 0.65 -0.06 0.00 0.00 0.00 175.76 175.63 1x3c s PHE 39 N -2.76 0.37 -0.14 0.00 0.40 0.09 -5.00 117.98 110.93 1x3c s PHE 39 Ca 0.09 -0.85 0.04 0.00 -0.60 0.00 0.00 56.93 55.61 1x3c s PHE 39 Cb 0.00 0.48 -0.11 0.00 0.51 0.00 0.00 43.02 43.89 1x3c s PHE 39 CO -0.05 -1.33 -0.08 2.41 0.70 0.00 0.00 175.22 176.87 1x3c n THR 40 N -0.51 0.86 -3.26 0.64 -1.04 -1.26 -2.90 114.28 106.81 1x3c n THR 40 Ca -0.04 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.05 61.29 1x3c n THR 40 Cb 0.60 -0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 68.14 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 -2.30 4.96 0.12 12.58 1.01 -1.26 -4.70 121.20 131.60 1x3c s ILE 41 Ca -0.16 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 1x3c s ILE 41 Cb 0.05 -3.71 -0.21 0.00 0.01 0.00 0.00 42.46 38.60 1x3c s ILE 41 CO 0.39 -0.31 1.27 -0.61 0.00 0.00 0.00 174.94 175.68 1x3c h GLN 42 N 1.79 0.25 0.58 2.79 -0.00 -1.98 -3.13 115.11 115.39 1x3c h GLN 42 Ca -0.47 -0.33 -0.03 0.00 -0.00 0.00 0.00 58.65 57.82 1x3c h GLN 42 Cb 1.18 0.11 0.01 0.00 0.00 0.00 0.00 27.48 28.78 1x3c h GLN 42 CO 0.66 1.09 -0.28 0.37 0.00 0.00 0.00 178.83 180.67 1x3c h GLN 43 N 0.11 -0.74 0.00 1.69 5.75 -2.01 -2.60 115.11 117.31 1x3c h GLN 43 Ca -0.08 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1x3c h GLN 43 Cb 1.72 0.17 0.00 0.00 1.07 0.00 0.00 27.48 30.44 1x3c h GLN 43 CO 0.17 -0.48 0.11 0.27 -2.65 0.00 0.00 178.83 176.25 1x3c n ASN 44 N -5.29 0.33 0.10 -0.69 0.23 -1.26 0.39 115.26 109.07 1x3c n ASN 44 Ca -0.10 0.60 0.10 0.00 -0.53 0.00 0.00 54.58 54.66 1x3c n ASN 44 Cb 0.31 -0.62 -0.01 0.00 -2.08 0.00 0.00 39.78 37.39 1x3c n ASN 44 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1x3c n LEU 45 N -1.95 0.84 0.06 -4.53 7.94 -1.11 -3.83 117.00 114.41 1x3c n LEU 45 Ca -0.01 0.33 -0.12 0.00 -1.11 0.00 0.00 56.01 55.10 1x3c n LEU 45 Cb 0.13 -0.05 -0.09 0.00 0.53 0.00 0.00 43.42 43.95 1x3c n LEU 45 CO 0.06 -0.15 0.55 0.40 -1.11 0.00 0.00 177.39 177.13 1x3c h ILE 46 N 0.00 1.03 -0.92 1.96 2.04 0.32 -3.24 117.51 118.71 1x3c h ILE 46 Ca -0.02 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 64.93 1x3c h ILE 46 Cb 1.06 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 38.68 1x3c h ILE 46 CO 0.00 0.22 0.58 -0.07 0.00 0.00 0.00 178.15 178.89 1x3c h LEU 47 N -0.67 0.94 -0.99 1.44 -0.00 -1.73 -2.31 115.31 112.00 1x3c h LEU 47 Ca -0.02 0.01 0.34 0.00 -0.00 0.00 0.00 57.88 58.21 1x3c h LEU 47 Cb 0.50 -0.20 -0.18 0.00 -0.00 0.00 0.00 40.66 40.78 1x3c h LEU 47 CO 0.03 0.62 0.28 -0.74 -0.00 0.00 0.00 178.44 178.63 1x3c h HIS 48 N 1.09 0.38 -0.00 1.13 -0.00 -1.66 2.24 115.15 118.33 1x3c h HIS 48 Ca 0.39 0.06 -0.14 0.00 -0.00 0.00 0.00 60.37 60.67 1x3c h HIS 48 Cb 0.11 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 1x3c h HIS 48 CO -0.02 -0.45 -0.67 1.88 -0.00 0.00 0.00 177.93 178.67 1x3c h TYR 49 N 0.02 0.02 0.00 5.26 -1.99 -1.52 0.21 116.97 118.97 1x3c h TYR 49 Ca 0.72 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.44 1x3c h TYR 49 Cb 1.71 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.43 1x3c h TYR 49 CO -0.26 0.68 -0.44 1.04 -0.00 0.00 0.00 178.16 179.18 1x3c n GLN 50 N -3.75 0.20 -0.08 4.88 6.02 0.65 0.14 117.38 125.46 1x3c n GLN 50 Ca -0.01 0.08 -0.06 0.00 -0.01 0.00 0.00 57.00 57.00 1x3c n GLN 50 Cb 0.66 -1.65 -0.16 0.00 1.02 0.00 0.00 30.24 30.11 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 1.71 -0.10 -1.58 0.00 0.43 -3.48 120.51 115.77 1x3c n ALA 51 Ca 0.04 -1.16 -0.17 0.00 0.00 0.00 0.00 53.44 52.16 1x3c n ALA 51 Cb 0.41 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.69 1.40 -0.50 0.00 0.31 0.05 -4.61 118.33 112.29 1x3c n VAL 52 Ca -0.27 -0.08 0.11 0.00 -0.01 0.00 0.00 64.34 64.09 1x3c n VAL 52 Cb 1.05 -2.04 0.34 0.00 -0.91 0.00 0.00 33.84 32.29 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 1.23 -3.80 3.52 8.25 -0.36 -4.95 115.22 114.90 1x3c n HIS 53 Ca -0.30 -0.55 -0.22 0.00 -0.26 0.00 0.00 57.72 56.39 1x3c n HIS 53 Cb 0.64 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.56 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 1.41 -0.95 -3.93 -0.41 4.01 0.12 -4.82 118.16 113.59 1x3c n LYS 54 Ca 0.25 0.07 -0.11 0.00 -0.51 0.00 0.00 58.31 58.01 1x3c n LYS 54 Cb 0.75 -2.59 -0.01 0.00 -0.51 0.00 0.00 35.03 32.68 1x3c n LYS 54 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1x3c s SER 55 N -3.95 0.34 0.48 4.39 0.15 0.20 -4.86 113.70 110.45 1x3c s SER 55 Ca 0.02 -1.24 0.03 0.00 0.70 0.00 0.00 55.95 55.45 1x3c s SER 55 Cb -0.01 0.76 0.02 0.00 -1.71 0.00 0.00 66.02 65.08 1x3c s SER 55 CO 0.72 -1.50 0.69 -1.81 1.20 0.00 0.00 173.24 172.53 1x3c s ASP 56 N -3.12 5.55 0.63 5.45 1.11 -1.26 -2.21 116.67 122.81 1x3c s ASP 56 Ca 0.21 -0.01 -0.15 0.00 0.18 0.00 0.00 52.55 52.78 1x3c s ASP 56 Cb -0.03 -1.05 -0.02 0.00 1.07 0.00 0.00 42.92 42.89 1x3c s ASP 56 CO 0.14 -0.90 1.07 -0.76 1.18 0.00 0.00 175.17 175.90 1x3c s LEU 57 N -4.59 3.41 0.40 1.23 1.02 -1.26 -4.96 118.68 113.93 1x3c s LEU 57 Ca 0.53 1.82 0.19 0.00 0.02 0.00 0.00 54.13 56.69 1x3c s LEU 57 Cb -0.10 -4.53 0.84 0.00 0.02 0.00 0.00 46.19 42.41 1x3c s LEU 57 CO 0.37 -1.32 1.82 1.55 0.02 0.00 0.00 176.35 178.79 1x3c h PRO 58 N 0.13 0.00 -1.37 1.29 0.13 -1.98 -3.13 132.00 127.07 1x3c h PRO 58 Ca -0.46 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.99 1x3c h PRO 58 Cb 1.22 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.03 1x3c h PRO 58 CO 0.57 0.33 0.52 0.00 -0.23 0.00 0.00 178.00 179.18 1x3c n ALA 59 N -2.33 6.07 0.05 -0.56 0.00 -1.26 -4.58 120.51 117.91 1x3c n ALA 59 Ca -0.01 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1x3c n ALA 59 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1x3c n ALA 59 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x3c n PHE 60 N -0.71 -0.49 -3.53 0.00 7.35 -1.18 -5.11 117.46 113.79 1x3c n PHE 60 Ca 0.54 0.09 -0.00 0.00 -0.76 0.00 0.00 57.45 57.32 1x3c n PHE 60 Cb 0.56 0.15 -0.04 0.00 0.35 0.00 0.00 39.48 40.50 1x3c n PHE 60 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1x3c s SER 61 N -5.40 -0.82 1.16 -2.13 1.04 -1.26 -5.10 113.70 101.19 1x3c s SER 61 Ca 0.00 1.15 -0.11 0.00 0.48 0.00 0.00 55.95 57.47 1x3c s SER 61 Cb 0.00 1.89 0.17 0.00 0.10 0.00 0.00 66.02 68.17 1x3c s SER 61 CO 0.00 -0.16 0.38 0.00 0.98 0.00 0.00 173.24 174.44 1x3c n ALA 62 N 5.07 -2.32 -1.71 5.32 0.00 -1.26 -4.74 120.51 120.86 1x3c n ALA 62 Ca -0.11 -0.68 -0.34 0.00 0.00 0.00 0.00 53.44 52.32 1x3c n ALA 62 Cb 0.52 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 1x3c n ALA 62 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x3c s GLU 63 N -3.76 2.20 -0.21 0.00 2.02 -1.26 -4.89 118.70 112.81 1x3c s GLU 63 Ca 0.29 1.00 -0.14 0.00 0.02 0.00 0.00 54.97 56.15 1x3c s GLU 63 Cb -0.05 -4.58 0.06 0.00 0.10 0.00 0.00 34.13 29.66 1x3c s GLU 63 CO 0.25 -3.28 0.52 0.08 0.02 0.00 0.00 175.26 172.85 1x3c s VAL 64 N 11.58 -0.01 -0.35 2.63 1.01 -1.26 -5.12 120.40 128.88 1x3c s VAL 64 Ca 0.87 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.89 1x3c s VAL 64 Cb -0.15 -0.75 0.12 0.00 0.00 0.00 0.00 36.38 35.60 1x3c s VAL 64 CO 0.21 0.02 0.16 -1.61 0.00 0.00 0.00 175.10 173.88 1x3c s GLU 65 N 1.15 0.71 -0.17 2.72 8.01 -1.26 -5.00 118.70 124.87 1x3c s GLU 65 Ca -0.07 -1.26 -0.02 0.00 0.01 0.00 0.00 54.97 53.63 1x3c s GLU 65 Cb -0.06 -1.75 0.02 0.00 -4.31 0.00 0.00 34.13 28.02 1x3c s GLU 65 CO -0.11 -1.09 2.46 0.39 0.01 0.00 0.00 175.26 176.92 1x3c n GLU 66 N 4.41 1.66 -4.07 1.61 1.02 -1.26 -4.77 120.64 119.24 1x3c n GLU 66 Ca 0.03 -1.03 -0.35 0.00 -0.02 0.00 0.00 57.16 55.78 1x3c n GLU 66 Cb 0.39 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 1x3c n GLU 66 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1x3c n GLU 67 N 1.26 -0.77 -1.45 3.49 0.28 -1.26 -4.59 120.64 117.60 1x3c n GLU 67 Ca 0.25 0.11 -0.45 0.00 -0.16 0.00 0.00 57.16 56.92 1x3c n GLU 67 Cb 0.62 -3.90 -0.12 0.00 1.43 0.00 0.00 31.44 29.47 1x3c n GLU 67 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1x3c n SER 68 N -1.99 0.87 -3.63 -1.84 3.41 -1.26 -4.84 113.62 104.33 1x3c n SER 68 Ca 0.07 0.20 -0.11 0.00 -0.26 0.00 0.00 58.87 58.76 1x3c n SER 68 Cb 0.40 -1.05 -0.07 0.00 -0.26 0.00 0.00 64.21 63.23 1x3c n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x3c s GLY 69 N 8.74 -0.27 0.60 5.00 0.00 -1.26 -5.18 107.32 114.95 1x3c s GLY 69 Ca 1.25 2.47 -0.10 0.00 0.00 0.00 0.00 44.72 48.33 1x3c s GLY 69 CO 0.49 1.78 0.53 -1.55 0.00 0.00 0.00 173.10 174.35 1x3c n PRO 70 N 2.30 -2.06 -4.23 2.90 -0.04 -1.26 -5.09 135.00 127.52 1x3c n PRO 70 Ca -0.13 -0.85 -0.28 0.00 -0.04 0.00 0.00 63.50 62.20 1x3c n PRO 70 Cb 0.56 -0.80 -0.04 0.00 -0.04 0.00 0.00 33.50 33.18 1x3c n PRO 70 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x3c s SER 71 N -2.93 4.42 0.13 3.54 0.01 -1.26 -5.15 113.70 112.46 1x3c s SER 71 Ca 0.34 -1.36 -0.24 0.00 1.31 0.00 0.00 55.95 56.00 1x3c s SER 71 Cb -0.03 0.31 0.08 0.00 0.21 0.00 0.00 66.02 66.59 1x3c s SER 71 CO 0.26 -0.93 1.09 -0.94 0.41 0.00 0.00 173.24 173.13 1x3c s SER 72 N -4.08 -0.03 0.00 2.44 1.04 -1.26 -5.36 113.70 106.45 1x3c s SER 72 Ca 0.25 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1x3c s SER 72 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1x3c s SER 72 CO 0.15 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.17