#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 -0.10 0.31 1.61 1.04 -1.26 -5.18 113.70 110.12 1x3c s SER 2 Ca 0.00 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.17 1x3c s SER 2 Cb 0.00 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x3c s SER 2 CO 0.00 -0.60 0.45 -0.55 0.98 0.00 0.00 173.24 173.52 1x3c s SER 3 N -2.03 0.61 0.00 7.02 0.15 -1.26 -5.16 113.70 113.02 1x3c s SER 3 Ca -0.05 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.25 1x3c s SER 3 Cb -0.01 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1x3c s SER 3 CO -0.03 -1.23 0.00 0.61 1.20 0.00 0.00 173.24 173.79 1x3c n GLY 4 N -0.50 1.42 3.14 9.45 0.00 -1.26 -5.09 105.19 112.35 1x3c n GLY 4 Ca 0.00 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.73 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 0.00 -0.05 -0.06 1.61 0.15 -1.26 -5.15 113.70 108.94 1x3c s SER 5 Ca 0.00 0.76 -0.31 0.00 0.70 0.00 0.00 55.95 57.10 1x3c s SER 5 Cb 0.00 0.89 0.11 0.00 -1.71 0.00 0.00 66.02 65.32 1x3c s SER 5 CO 0.00 -0.22 1.07 -0.55 1.20 0.00 0.00 173.24 174.74 1x3c s SER 6 N 2.20 -0.22 -1.14 5.45 0.15 -1.26 -5.09 113.70 113.79 1x3c s SER 6 Ca -0.03 -0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.46 1x3c s SER 6 Cb -0.11 0.28 0.24 0.00 -1.71 0.00 0.00 66.02 64.71 1x3c s SER 6 CO -0.11 -0.46 1.22 -0.83 1.20 0.00 0.00 173.24 174.26 1x3c s GLY 7 N -2.47 2.93 -0.22 9.45 0.00 -1.26 -4.96 107.32 110.79 1x3c s GLY 7 Ca 0.09 -3.67 0.01 0.00 0.00 0.00 0.00 44.72 41.15 1x3c s GLY 7 CO -0.06 1.58 -0.07 0.50 0.00 0.00 0.00 173.10 175.06 1x3c s ARG 8 N -0.24 1.74 -0.16 2.90 0.52 -1.26 -5.10 118.95 117.36 1x3c s ARG 8 Ca 0.35 -0.94 -0.10 0.00 -0.52 0.00 0.00 55.73 54.52 1x3c s ARG 8 Cb -0.07 -2.52 0.05 0.00 0.52 0.00 0.00 34.95 32.93 1x3c s ARG 8 CO -0.05 -0.54 0.39 0.21 0.02 0.00 0.00 175.30 175.32 1x3c s LYS 9 N 1.40 0.38 0.05 3.54 2.20 -1.26 -5.16 119.74 120.88 1x3c s LYS 9 Ca -0.04 0.70 0.06 0.00 -0.36 0.00 0.00 55.97 56.33 1x3c s LYS 9 Cb -0.18 0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.13 1x3c s LYS 9 CO -0.07 -0.14 -0.16 0.15 -0.36 0.00 0.00 175.35 174.78 1x3c s LYS 10 N 1.12 1.04 1.13 4.03 3.01 -1.26 -5.15 119.74 123.66 1x3c s LYS 10 Ca -0.07 -0.84 -0.17 0.00 -1.01 0.00 0.00 55.97 53.88 1x3c s LYS 10 Cb -0.07 -1.09 0.25 0.00 -1.01 0.00 0.00 37.83 35.91 1x3c s LYS 10 CO -0.09 0.27 1.10 -1.25 0.51 0.00 0.00 175.35 175.89 1x3c s PRO 11 N -1.24 -0.67 -0.26 -1.68 0.04 -1.26 -5.09 135.00 124.83 1x3c s PRO 11 Ca 0.03 0.13 -0.26 0.00 0.04 0.00 0.00 61.00 60.95 1x3c s PRO 11 Cb -0.08 -1.64 0.11 0.00 0.04 0.00 0.00 34.50 32.93 1x3c s PRO 11 CO 0.02 -3.39 0.98 0.54 0.04 0.00 0.00 177.00 175.19 1x3c s VAL 12 N -2.99 0.00 0.51 -0.36 0.11 -1.26 -5.17 120.40 111.24 1x3c s VAL 12 Ca 0.69 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.70 1x3c s VAL 12 Cb -0.13 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1x3c s VAL 12 CO 0.57 0.00 0.79 -0.44 -3.33 0.00 0.00 175.10 172.69 1x3c s SER 13 N 0.10 5.90 -0.11 3.54 0.01 -1.26 -5.03 113.70 116.86 1x3c s SER 13 Ca 0.02 0.68 -0.14 0.00 1.31 0.00 0.00 55.95 57.82 1x3c s SER 13 Cb -0.05 -1.87 -0.27 0.00 0.21 0.00 0.00 66.02 64.05 1x3c s SER 13 CO -0.04 -0.78 0.52 0.06 0.41 0.00 0.00 173.24 173.40 1x3c h GLN 14 N 0.13 0.25 -6.78 12.44 3.07 -2.08 -3.47 115.11 118.67 1x3c h GLN 14 Ca -0.46 -0.43 -0.55 0.00 0.09 0.00 0.00 58.65 57.30 1x3c h GLN 14 Cb 1.24 0.16 0.19 0.00 0.08 0.00 0.00 27.48 29.14 1x3c h GLN 14 CO 0.60 1.20 -0.27 0.45 0.09 0.00 0.00 178.83 180.91 1x3c n SER 15 N -3.85 -0.82 -4.63 0.06 2.88 -1.26 -4.98 113.62 101.01 1x3c n SER 15 Ca -0.26 0.57 -0.34 0.00 -1.33 0.00 0.00 58.87 57.50 1x3c n SER 15 Cb 0.93 -1.28 -0.10 0.00 -0.75 0.00 0.00 64.21 63.01 1x3c n SER 15 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1x3c s LEU 16 N -1.35 3.76 0.58 2.46 2.01 -1.26 -4.97 118.68 119.90 1x3c s LEU 16 Ca 0.66 0.08 0.28 0.00 0.01 0.00 0.00 54.13 55.16 1x3c s LEU 16 Cb -0.32 -1.94 1.53 0.00 0.01 0.00 0.00 46.19 45.47 1x3c s LEU 16 CO 0.57 0.20 1.99 1.05 1.01 0.00 0.00 176.35 181.18 1x3c h GLU 17 N 6.50 0.00 -5.62 1.70 4.11 -1.99 -3.42 114.58 115.85 1x3c h GLU 17 Ca -0.38 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.39 1x3c h GLU 17 Cb 1.17 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1x3c h GLU 17 CO 0.68 0.00 1.49 1.19 0.07 0.00 0.00 179.01 182.44 1x3c n PHE 18 N -3.87 0.96 -0.05 2.06 3.01 -1.26 -4.80 117.46 113.50 1x3c n PHE 18 Ca 0.06 0.59 -0.13 0.00 1.01 0.00 0.00 57.45 58.98 1x3c n PHE 18 Cb 0.53 -2.34 -0.07 0.00 -0.01 0.00 0.00 39.48 37.59 1x3c n PHE 18 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1x3c h PRO 19 N 10.41 0.35 0.00 -1.08 0.13 -1.93 -3.48 132.00 136.41 1x3c h PRO 19 Ca -0.09 -0.19 -0.29 0.00 -0.87 0.00 0.00 66.00 64.56 1x3c h PRO 19 Cb 1.37 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.43 1x3c h PRO 19 CO 1.20 0.74 -0.28 0.25 -0.23 0.00 0.00 178.00 179.68 1x3c n THR 20 N -4.56 0.00 -0.65 1.56 -2.24 -1.26 -5.04 114.28 102.10 1x3c n THR 20 Ca -0.06 -1.45 -0.18 0.00 -2.27 0.00 0.00 64.05 60.09 1x3c n THR 20 Cb 0.36 0.70 0.08 0.00 -2.10 0.00 0.00 70.33 69.37 1x3c n THR 20 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1x3c n ARG 21 N -0.40 1.88 -3.60 -0.78 1.85 -1.26 -4.88 116.66 109.46 1x3c n ARG 21 Ca 0.04 -1.89 -0.04 0.00 -1.00 0.00 0.00 57.85 54.95 1x3c n ARG 21 Cb 0.36 -1.74 -0.02 0.00 -1.05 0.00 0.00 32.46 30.01 1x3c n ARG 21 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 1x3c s TYR 22 N -2.14 -0.17 -0.45 2.89 -0.85 -1.26 -5.12 117.35 110.25 1x3c s TYR 22 Ca 0.37 0.05 -0.10 0.00 -0.52 0.00 0.00 57.07 56.87 1x3c s TYR 22 Cb 0.30 0.54 0.10 0.00 0.38 0.00 0.00 41.96 43.28 1x3c s TYR 22 CO 0.03 -0.39 0.31 -1.12 -1.52 0.00 0.00 175.55 172.87 1x3c s SER 23 N -2.53 5.73 0.08 -0.18 0.01 -1.26 -4.95 113.70 110.60 1x3c s SER 23 Ca 0.10 -1.67 -0.16 0.00 1.31 0.00 0.00 55.95 55.53 1x3c s SER 23 Cb 0.00 -2.02 -0.10 0.00 0.21 0.00 0.00 66.02 64.11 1x3c s SER 23 CO -0.05 -0.62 1.40 1.55 0.41 0.00 0.00 173.24 175.93 1x3c h PRO 24 N 8.47 0.61 -4.01 12.44 0.13 -2.00 -3.47 132.00 144.18 1x3c h PRO 24 Ca -0.23 -0.32 -0.13 0.00 -0.87 0.00 0.00 66.00 64.45 1x3c h PRO 24 Cb 1.08 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.10 1x3c h PRO 24 CO 0.82 0.92 -0.34 -0.47 -0.23 0.00 0.00 178.00 178.70 1x3c s TYR 25 N -4.35 0.61 -0.63 1.56 5.04 -1.26 -5.12 117.35 113.19 1x3c s TYR 25 Ca -0.13 -0.93 -0.06 0.00 -2.44 0.00 0.00 57.07 53.51 1x3c s TYR 25 Cb 0.08 -0.12 0.16 0.00 0.35 0.00 0.00 41.96 42.43 1x3c s TYR 25 CO 0.81 -0.79 0.48 1.03 -1.34 0.00 0.00 175.55 175.74 1x3c s ARG 26 N -4.04 2.75 0.00 4.97 3.00 -1.26 -4.72 118.95 119.65 1x3c s ARG 26 Ca 0.25 -2.35 0.15 0.00 0.00 0.00 0.00 55.73 53.78 1x3c s ARG 26 Cb 0.03 -3.91 0.87 0.00 0.00 0.00 0.00 34.95 31.94 1x3c s ARG 26 CO 0.07 -1.20 1.37 -0.35 0.00 0.00 0.00 175.30 175.19 1x3c n PRO 27 N 3.88 0.38 -4.04 3.54 -0.04 -1.25 -4.52 135.00 132.96 1x3c n PRO 27 Ca 0.06 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 1x3c n PRO 27 Cb 0.40 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.22 3.03 0.13 0.54 1.51 -1.21 -5.08 117.35 114.04 1x3c s TYR 28 Ca 0.20 -1.77 0.09 0.00 -1.01 0.00 0.00 57.07 54.59 1x3c s TYR 28 Cb 0.10 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1x3c s TYR 28 CO 0.20 -0.79 -0.19 0.50 -1.11 0.00 0.00 175.55 174.16 1x3c s ARG 29 N 1.26 1.72 0.31 -0.62 3.52 -1.26 -2.10 118.95 121.78 1x3c s ARG 29 Ca -0.01 -1.23 -0.29 0.00 -0.13 0.00 0.00 55.73 54.08 1x3c s ARG 29 Cb -0.16 -2.07 -0.10 0.00 -1.56 0.00 0.00 34.95 31.06 1x3c s ARG 29 CO -0.07 0.47 1.22 0.00 -0.81 0.00 0.00 175.30 176.11 1x3c n VAL 31 N 0.91 0.80 -3.52 0.00 0.24 -1.26 -4.77 118.33 110.74 1x3c n VAL 31 Ca -0.00 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.39 1x3c n VAL 31 Cb 0.43 -0.15 -0.10 0.00 -1.47 0.00 0.00 33.84 32.55 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 -1.66 3.26 -0.85 6.34 3.76 -1.26 -5.01 115.29 119.86 1x3c s HIS 32 Ca 0.21 -0.93 -0.26 0.00 -0.15 0.00 0.00 55.06 53.94 1x3c s HIS 32 Cb 0.14 -2.69 -0.12 0.00 1.11 0.00 0.00 32.58 31.02 1x3c s HIS 32 CO 0.09 -0.69 2.27 -1.14 -0.85 0.00 0.00 174.74 174.42 1x3c s GLN 33 N 1.59 1.79 0.00 1.40 0.74 -1.26 -2.53 119.66 121.40 1x3c s GLN 33 Ca 0.03 0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.62 1x3c s GLN 33 Cb -0.21 -4.88 0.00 0.00 1.10 0.00 0.00 33.01 29.03 1x3c s GLN 33 CO 0.07 -4.30 0.00 0.41 -0.55 0.00 0.00 175.29 170.92 1x3c n GLY 34 N 6.74 0.62 0.89 2.59 0.00 -1.26 -5.07 105.19 109.70 1x3c n GLY 34 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.88 -2.07 -3.92 0.00 3.72 -1.26 -5.01 117.46 106.04 1x3c n PHE 36 Ca 0.00 0.79 -0.28 0.00 -0.05 0.00 0.00 57.45 57.91 1x3c n PHE 36 Cb 0.47 -4.35 -0.17 0.00 -0.94 0.00 0.00 39.48 34.49 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 -3.27 1.51 -0.04 4.37 0.00 -1.26 -5.10 121.76 117.97 1x3c s ALA 37 Ca 0.26 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1x3c s ALA 37 Cb -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1x3c s ALA 37 CO 0.58 -0.61 -0.11 0.00 0.00 0.00 0.00 175.76 175.62 1x3c s ALA 38 N 1.63 1.05 0.44 0.00 0.00 -1.26 -2.65 121.76 120.96 1x3c s ALA 38 Ca 0.03 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.65 1x3c s ALA 38 Cb -0.14 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1x3c s ALA 38 CO -0.08 0.16 0.14 -0.06 0.00 0.00 0.00 175.76 175.91 1x3c s PHE 39 N 0.28 2.39 -0.23 0.00 0.40 -0.89 -4.96 117.98 114.97 1x3c s PHE 39 Ca -0.05 -0.68 -0.16 0.00 -0.60 0.00 0.00 56.93 55.43 1x3c s PHE 39 Cb -0.11 -1.87 -0.12 0.00 0.51 0.00 0.00 43.02 41.44 1x3c s PHE 39 CO 0.01 0.19 -0.20 2.41 0.70 0.00 0.00 175.22 178.33 1x3c n THR 40 N -1.23 1.51 -3.11 0.64 -1.04 -1.26 -3.29 114.28 106.50 1x3c n THR 40 Ca -0.04 -0.13 -0.34 0.00 -2.04 0.00 0.00 64.05 61.49 1x3c n THR 40 Cb 0.65 -2.07 -0.06 0.00 -1.82 0.00 0.00 70.33 67.04 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 -2.52 4.62 0.17 12.58 1.01 -1.26 -4.66 121.20 131.14 1x3c s ILE 41 Ca -0.32 1.10 -0.10 0.00 0.00 0.00 0.00 60.65 61.34 1x3c s ILE 41 Cb 0.09 -3.71 0.06 0.00 0.01 0.00 0.00 42.46 38.91 1x3c s ILE 41 CO 0.47 -0.03 1.63 -0.61 0.00 0.00 0.00 174.94 176.40 1x3c h GLN 42 N 2.70 1.04 0.71 2.79 4.15 -1.99 -2.86 115.11 121.66 1x3c h GLN 42 Ca -0.48 -0.33 -0.03 0.00 0.77 0.00 0.00 58.65 58.58 1x3c h GLN 42 Cb 1.18 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.78 1x3c h GLN 42 CO 0.65 1.02 -0.34 0.37 -1.93 0.00 0.00 178.83 178.61 1x3c h GLN 43 N 0.93 -0.91 0.00 1.69 5.75 -2.00 -1.32 115.11 119.25 1x3c h GLN 43 Ca 0.17 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1x3c h GLN 43 Cb 0.55 0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1x3c h GLN 43 CO 0.03 -0.58 0.22 -0.91 -2.65 0.00 0.00 178.83 174.94 1x3c h ASN 44 N -1.07 0.00 0.42 -0.69 -0.26 -1.98 0.41 115.58 112.42 1x3c h ASN 44 Ca -0.10 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.35 1x3c h ASN 44 Cb 0.75 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.96 1x3c h ASN 44 CO 0.16 0.00 -1.80 -0.11 -1.06 0.00 0.00 177.43 174.62 1x3c n LEU 45 N -2.16 0.71 -0.19 1.61 7.94 -0.85 -3.79 117.00 120.26 1x3c n LEU 45 Ca -0.01 0.34 -0.06 0.00 -1.11 0.00 0.00 56.01 55.16 1x3c n LEU 45 Cb 0.25 0.22 0.03 0.00 0.53 0.00 0.00 43.42 44.45 1x3c n LEU 45 CO 0.07 0.38 1.10 0.40 -1.11 0.00 0.00 177.39 178.23 1x3c h ILE 46 N 0.00 1.13 -0.48 1.96 2.04 0.95 -2.72 117.51 120.40 1x3c h ILE 46 Ca -0.32 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 1x3c h ILE 46 Cb 2.00 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1x3c h ILE 46 CO 0.07 0.14 -0.06 -0.07 0.00 0.00 0.00 178.15 178.23 1x3c h LEU 47 N 0.74 0.88 -1.00 1.44 -0.00 -1.71 -3.02 115.31 112.64 1x3c h LEU 47 Ca 0.21 -0.34 0.39 0.00 -0.00 0.00 0.00 57.88 58.14 1x3c h LEU 47 Cb -0.07 -0.24 -0.18 0.00 -0.00 0.00 0.00 40.66 40.17 1x3c h LEU 47 CO -0.05 1.00 0.45 -0.74 -0.00 0.00 0.00 178.44 179.10 1x3c h HIS 48 N 0.73 0.68 -0.02 1.13 -0.00 -1.58 1.97 115.15 118.06 1x3c h HIS 48 Ca 0.13 0.05 -0.18 0.00 -0.00 0.00 0.00 60.37 60.37 1x3c h HIS 48 Cb 0.59 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 1x3c h HIS 48 CO 0.04 -0.45 -0.78 1.88 -0.00 0.00 0.00 177.93 178.63 1x3c h TYR 49 N 0.03 0.29 0.00 5.26 0.05 -1.55 0.22 116.97 121.27 1x3c h TYR 49 Ca 0.80 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 59.43 1x3c h TYR 49 Cb 2.02 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.72 1x3c h TYR 49 CO -0.10 0.90 -0.11 1.96 -1.05 0.00 0.00 178.16 179.76 1x3c h GLN 50 N 0.13 0.00 0.00 4.88 4.20 0.32 0.75 115.11 125.40 1x3c h GLN 50 Ca -0.03 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.34 1x3c h GLN 50 Cb 1.36 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.08 1x3c h GLN 50 CO 0.12 0.00 -2.33 0.00 -0.67 0.00 0.00 178.83 175.94 1x3c n ALA 51 N -1.90 1.57 -0.10 3.87 0.00 0.29 -3.37 120.51 120.87 1x3c n ALA 51 Ca 0.05 -1.27 -0.15 0.00 0.00 0.00 0.00 53.44 52.07 1x3c n ALA 51 Cb 0.47 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.71 1.49 -1.07 0.00 0.31 0.77 -4.58 118.33 112.54 1x3c n VAL 52 Ca -0.31 0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.10 1x3c n VAL 52 Cb 1.12 -2.21 0.25 0.00 -0.91 0.00 0.00 33.84 32.09 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 -4.46 1.08 -3.35 3.52 8.25 -0.11 -4.97 115.22 115.18 1x3c n HIS 53 Ca -0.24 -1.02 -0.15 0.00 -0.26 0.00 0.00 57.72 56.05 1x3c n HIS 53 Cb 0.55 -0.37 -0.05 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.58 -0.97 -4.19 -0.41 5.02 0.23 -4.80 118.16 112.45 1x3c n LYS 54 Ca 0.25 0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 56.42 1x3c n LYS 54 Cb 0.96 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 1x3c n LYS 54 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1x3c s SER 55 N -3.62 1.05 0.43 4.39 0.01 0.86 -4.84 113.70 111.98 1x3c s SER 55 Ca 0.01 -1.56 0.07 0.00 1.31 0.00 0.00 55.95 55.78 1x3c s SER 55 Cb -0.01 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 1x3c s SER 55 CO 0.47 -1.09 0.27 -1.81 0.41 0.00 0.00 173.24 171.49 1x3c s ASP 56 N -3.27 4.64 0.63 2.44 1.01 -1.26 -2.14 116.67 118.72 1x3c s ASP 56 Ca 0.36 -1.01 -0.16 0.00 0.71 0.00 0.00 52.55 52.46 1x3c s ASP 56 Cb 0.02 -0.38 -0.01 0.00 1.01 0.00 0.00 42.92 43.56 1x3c s ASP 56 CO 0.21 -0.65 1.10 -0.76 0.21 0.00 0.00 175.17 175.28 1x3c s LEU 57 N -4.02 3.45 0.00 1.23 2.01 -1.26 -5.04 118.68 115.06 1x3c s LEU 57 Ca 0.42 1.98 0.00 0.00 0.01 0.00 0.00 54.13 56.54 1x3c s LEU 57 Cb 0.01 -4.55 0.00 0.00 0.01 0.00 0.00 46.19 41.66 1x3c s LEU 57 CO 0.24 -1.48 0.00 -0.81 1.01 0.00 0.00 176.35 175.30 1x3c n PRO 58 N -2.20 -0.31 -3.86 1.29 -0.04 -1.26 -5.08 135.00 123.53 1x3c n PRO 58 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 1x3c n PRO 58 Cb 0.52 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.82 1x3c n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x3c s ALA 59 N -2.98 0.32 0.11 0.55 0.00 -1.26 -5.03 121.76 113.46 1x3c s ALA 59 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1x3c s ALA 59 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1x3c s ALA 59 CO 0.00 -0.17 0.00 1.97 0.00 0.00 0.00 175.76 177.56 1x3c n PHE 60 N 4.39 -0.47 -3.19 0.00 -1.74 -1.26 -4.99 117.46 110.19 1x3c n PHE 60 Ca -0.22 0.08 -0.45 0.00 -0.56 0.00 0.00 57.45 56.31 1x3c n PHE 60 Cb 0.50 0.14 -0.05 0.00 1.52 0.00 0.00 39.48 41.59 1x3c n PHE 60 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1x3c s SER 61 N -5.53 6.19 0.32 5.98 0.15 -1.26 -5.02 113.70 114.53 1x3c s SER 61 Ca 0.00 -1.35 0.06 0.00 0.70 0.00 0.00 55.95 55.36 1x3c s SER 61 Cb 0.00 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1x3c s SER 61 CO 0.00 -0.95 0.25 0.00 1.20 0.00 0.00 173.24 173.74 1x3c s ALA 62 N 2.34 1.86 -1.57 5.45 0.00 -1.26 -4.87 121.76 123.71 1x3c s ALA 62 Ca 0.10 -1.99 -0.17 0.00 0.00 0.00 0.00 51.96 49.90 1x3c s ALA 62 Cb -0.24 1.43 0.17 0.00 0.00 0.00 0.00 23.12 24.48 1x3c s ALA 62 CO 0.07 -0.64 0.43 -0.85 0.00 0.00 0.00 175.76 174.78 1x3c n GLU 63 N -0.60 -0.78 -4.26 0.00 0.28 -1.26 -4.89 120.64 109.13 1x3c n GLU 63 Ca 0.06 0.11 -0.21 0.00 -0.16 0.00 0.00 57.16 56.97 1x3c n GLU 63 Cb 0.63 -3.88 -0.12 0.00 1.43 0.00 0.00 31.44 29.51 1x3c n GLU 63 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1x3c s VAL 64 N -3.12 1.52 -0.41 3.84 0.11 -1.26 -5.08 120.40 116.01 1x3c s VAL 64 Ca 0.61 -1.63 0.11 0.00 -2.93 0.00 0.00 61.98 58.14 1x3c s VAL 64 Cb -0.35 -1.52 0.37 0.00 -1.53 0.00 0.00 36.38 33.35 1x3c s VAL 64 CO 0.87 -0.25 0.84 -1.84 -3.33 0.00 0.00 175.10 171.40 1x3c n GLU 65 N 0.79 1.59 -1.78 1.54 -0.00 -1.26 -4.90 120.64 116.63 1x3c n GLU 65 Ca -0.17 -3.71 -0.28 0.00 -0.00 0.00 0.00 57.16 52.99 1x3c n GLU 65 Cb 0.55 -1.76 0.04 0.00 -0.00 0.00 0.00 31.44 30.28 1x3c n GLU 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1x3c n GLU 66 N 0.07 3.26 -0.06 3.44 1.02 -1.26 -4.61 120.64 122.49 1x3c n GLU 66 Ca 0.24 -3.85 -0.13 0.00 -0.02 0.00 0.00 57.16 53.41 1x3c n GLU 66 Cb 0.64 -2.28 -0.05 0.00 -0.02 0.00 0.00 31.44 29.73 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 -0.78 0.28 -3.62 3.49 0.28 -1.26 -5.12 120.64 113.92 1x3c n GLU 67 Ca 0.51 0.11 -0.02 0.00 -0.16 0.00 0.00 57.16 57.60 1x3c n GLU 67 Cb 0.83 -1.03 -0.01 0.00 1.43 0.00 0.00 31.44 32.66 1x3c n GLU 67 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1x3c s SER 68 N -5.97 -0.13 0.13 -1.84 0.15 -1.26 -5.18 113.70 99.60 1x3c s SER 68 Ca -0.18 -0.13 0.10 0.00 0.70 0.00 0.00 55.95 56.44 1x3c s SER 68 Cb 0.06 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1x3c s SER 68 CO 0.24 -0.41 -0.23 -0.83 1.20 0.00 0.00 173.24 173.22 1x3c s GLY 69 N -2.71 1.42 -0.50 9.45 0.00 -1.26 -5.07 107.32 108.65 1x3c s GLY 69 Ca 0.12 -1.39 -0.27 0.00 0.00 0.00 0.00 44.72 43.17 1x3c s GLY 69 CO -0.04 -1.40 1.80 2.56 0.00 0.00 0.00 173.10 176.03 1x3c s PRO 70 N -2.15 2.95 -0.58 2.90 0.04 -1.26 -4.94 135.00 131.96 1x3c s PRO 70 Ca 0.12 0.90 0.02 0.00 0.04 0.00 0.00 61.00 62.08 1x3c s PRO 70 Cb -0.09 -4.29 0.15 0.00 0.04 0.00 0.00 34.50 30.30 1x3c s PRO 70 CO 0.06 -2.34 0.35 -1.54 0.04 0.00 0.00 177.00 173.57 1x3c s SER 71 N 7.05 4.65 -0.20 6.66 1.04 -1.26 -4.90 113.70 126.74 1x3c s SER 71 Ca 0.71 -3.12 -0.15 0.00 0.48 0.00 0.00 55.95 53.87 1x3c s SER 71 Cb -0.16 -1.70 -0.08 0.00 0.10 0.00 0.00 66.02 64.19 1x3c s SER 71 CO 0.26 -0.24 -0.32 -1.54 0.98 0.00 0.00 173.24 172.38 1x3c n SER 72 N 3.00 1.83 0.00 7.02 3.41 -1.26 -5.34 113.62 122.28 1x3c n SER 72 Ca 0.08 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1x3c n SER 72 Cb 0.34 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1x3c n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49