#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 -0.28 -0.02 1.61 0.15 -1.26 -5.19 113.70 108.72 1x3c s SER 2 Ca 0.00 0.00 -0.30 0.00 0.70 0.00 0.00 55.95 56.35 1x3c s SER 2 Cb 0.00 0.29 0.11 0.00 -1.71 0.00 0.00 66.02 64.71 1x3c s SER 2 CO 0.00 -0.47 1.21 -0.55 1.20 0.00 0.00 173.24 174.63 1x3c s SER 3 N -2.35 -0.10 -0.08 5.45 0.15 -1.26 -5.19 113.70 110.31 1x3c s SER 3 Ca 0.07 -0.15 -0.32 0.00 0.70 0.00 0.00 55.95 56.24 1x3c s SER 3 Cb -0.01 0.22 0.14 0.00 -1.71 0.00 0.00 66.02 64.66 1x3c s SER 3 CO -0.07 -0.39 1.41 -0.83 1.20 0.00 0.00 173.24 174.55 1x3c s GLY 4 N -2.82 -0.46 0.06 9.45 0.00 -1.26 -5.19 107.32 107.10 1x3c s GLY 4 Ca 0.13 0.84 -0.26 0.00 0.00 0.00 0.00 44.72 45.43 1x3c s GLY 4 CO -0.03 0.74 0.74 -0.45 0.00 0.00 0.00 173.10 174.10 1x3c s SER 5 N -3.08 -0.48 -0.30 1.64 0.15 -1.26 -5.16 113.70 105.21 1x3c s SER 5 Ca 0.16 0.08 -0.07 0.00 0.70 0.00 0.00 55.95 56.82 1x3c s SER 5 Cb 0.07 0.49 0.17 0.00 -1.71 0.00 0.00 66.02 65.04 1x3c s SER 5 CO -0.06 -0.76 0.78 -0.55 1.20 0.00 0.00 173.24 173.84 1x3c s SER 6 N -2.42 -1.00 0.15 5.45 0.15 -1.26 -5.17 113.70 109.60 1x3c s SER 6 Ca 0.01 0.82 0.04 0.00 0.70 0.00 0.00 55.95 57.53 1x3c s SER 6 Cb -0.01 1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 66.18 1x3c s SER 6 CO -0.09 -0.19 0.18 -0.83 1.20 0.00 0.00 173.24 173.51 1x3c s GLY 7 N 2.83 1.77 -0.11 9.45 0.00 -1.26 -5.11 107.32 114.89 1x3c s GLY 7 Ca 0.08 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 43.64 1x3c s GLY 7 CO -0.18 -1.12 0.08 0.50 0.00 0.00 0.00 173.10 172.38 1x3c s ARG 8 N -3.04 -0.00 -0.30 2.90 0.52 -1.26 -5.10 118.95 112.66 1x3c s ARG 8 Ca 0.32 0.17 -0.11 0.00 -0.52 0.00 0.00 55.73 55.59 1x3c s ARG 8 Cb -0.11 -1.12 0.18 0.00 0.52 0.00 0.00 34.95 34.42 1x3c s ARG 8 CO 0.25 -0.49 0.95 -1.59 0.02 0.00 0.00 175.30 174.44 1x3c s LYS 9 N 2.17 0.28 0.13 3.54 -2.85 -1.26 -5.18 119.74 116.58 1x3c s LYS 9 Ca 0.04 0.55 0.05 0.00 -1.00 0.00 0.00 55.97 55.60 1x3c s LYS 9 Cb -0.14 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.90 1x3c s LYS 9 CO -0.06 -0.26 -0.11 0.15 0.10 0.00 0.00 175.35 175.17 1x3c s LYS 10 N 2.83 1.00 0.96 1.78 3.01 -1.26 -5.16 119.74 122.90 1x3c s LYS 10 Ca 0.03 -1.34 -0.12 0.00 -1.01 0.00 0.00 55.97 53.53 1x3c s LYS 10 Cb -0.10 -0.66 0.16 0.00 -1.01 0.00 0.00 37.83 36.22 1x3c s LYS 10 CO -0.14 0.10 1.09 -1.25 0.51 0.00 0.00 175.35 175.66 1x3c s PRO 11 N -3.29 0.78 -0.33 -1.68 0.04 -1.26 -5.04 135.00 124.23 1x3c s PRO 11 Ca 0.12 0.65 -0.00 0.00 0.04 0.00 0.00 61.00 61.81 1x3c s PRO 11 Cb -0.00 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.84 1x3c s PRO 11 CO 0.01 -2.53 0.04 0.08 0.04 0.00 0.00 177.00 174.64 1x3c s VAL 12 N -2.95 2.83 -0.44 -0.36 1.01 -1.26 -5.07 120.40 114.16 1x3c s VAL 12 Ca 0.64 -1.72 -0.20 0.00 0.00 0.00 0.00 61.98 60.71 1x3c s VAL 12 Cb -0.18 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.45 1x3c s VAL 12 CO 0.57 -0.30 0.60 -0.55 0.00 0.00 0.00 175.10 175.41 1x3c s SER 13 N 1.31 6.28 0.00 3.32 0.15 -1.26 -4.97 113.70 118.54 1x3c s SER 13 Ca -0.00 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.20 1x3c s SER 13 Cb -0.20 -2.30 -0.01 0.00 -1.71 0.00 0.00 66.02 61.80 1x3c s SER 13 CO -0.03 -0.75 -0.08 -1.58 1.20 0.00 0.00 173.24 172.00 1x3c s GLN 14 N 2.65 0.61 0.59 5.44 2.00 -1.26 -5.15 119.66 124.54 1x3c s GLN 14 Ca 0.20 -0.35 -0.16 0.00 -2.00 0.00 0.00 55.36 53.05 1x3c s GLN 14 Cb -0.15 -0.56 -0.04 0.00 0.80 0.00 0.00 33.01 33.06 1x3c s GLN 14 CO 0.17 0.15 1.05 -1.12 -0.50 0.00 0.00 175.29 175.04 1x3c s SER 15 N -0.41 5.85 0.99 6.67 0.01 -1.26 -4.90 113.70 120.65 1x3c s SER 15 Ca 0.01 1.78 -0.16 0.00 1.31 0.00 0.00 55.95 58.89 1x3c s SER 15 Cb -0.04 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 1x3c s SER 15 CO -0.00 -1.12 -0.37 0.00 0.41 0.00 0.00 173.24 172.17 1x3c n LEU 16 N -2.03 -3.52 -0.06 2.44 -0.00 -1.26 -4.93 117.00 107.64 1x3c n LEU 16 Ca 0.08 0.21 -0.08 0.00 -0.00 0.00 0.00 56.01 56.22 1x3c n LEU 16 Cb 0.53 -0.92 -0.15 0.00 -0.00 0.00 0.00 43.42 42.88 1x3c n LEU 16 CO 0.47 -4.80 -0.82 -1.84 -0.00 0.00 0.00 177.39 170.40 1x3c n GLU 17 N 0.72 0.66 -3.92 1.47 0.00 -1.26 -4.85 120.64 113.45 1x3c n GLU 17 Ca 0.01 0.14 -0.35 0.00 0.00 0.00 0.00 57.16 56.96 1x3c n GLU 17 Cb 0.57 -1.66 -0.14 0.00 0.00 0.00 0.00 31.44 30.21 1x3c n GLU 17 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1x3c s PHE 18 N -2.58 2.96 -0.51 -1.84 0.08 -1.26 -4.98 117.98 109.85 1x3c s PHE 18 Ca -0.07 -1.05 0.23 0.00 0.12 0.00 0.00 56.93 56.16 1x3c s PHE 18 Cb 0.07 -2.09 0.96 0.00 -0.57 0.00 0.00 43.02 41.39 1x3c s PHE 18 CO 0.83 -0.59 1.69 -0.35 -0.10 0.00 0.00 175.22 176.71 1x3c n PRO 19 N 4.78 0.18 -2.79 0.24 -0.04 -1.26 -4.72 135.00 131.38 1x3c n PRO 19 Ca -0.18 0.42 -0.41 0.00 -0.04 0.00 0.00 63.50 63.29 1x3c n PRO 19 Cb 0.50 -1.85 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 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 -3.30 4.65 0.25 0.52 -1.32 -1.26 -4.95 115.64 110.23 1x3c s THR 20 Ca 0.04 1.95 -0.03 0.00 -1.21 0.00 0.00 61.69 62.44 1x3c s THR 20 Cb 0.09 -4.27 0.22 0.00 -1.51 0.00 0.00 72.50 67.04 1x3c s THR 20 CO 0.38 0.29 1.77 0.08 -2.21 0.00 0.00 174.62 174.93 1x3c h ARG 21 N 5.90 0.61 -5.83 7.08 0.11 -2.06 -3.43 114.38 116.76 1x3c h ARG 21 Ca -0.43 -0.04 -0.60 0.00 0.10 0.00 0.00 59.98 59.02 1x3c h ARG 21 Cb 1.21 -0.14 -0.11 0.00 1.11 0.00 0.00 29.97 32.04 1x3c h ARG 21 CO 0.72 0.40 -0.57 1.52 0.10 0.00 0.00 179.97 182.15 1x3c s TYR 22 N -6.00 2.55 -0.40 4.08 -0.85 -1.26 -5.11 117.35 110.36 1x3c s TYR 22 Ca -0.12 -0.59 -0.04 0.00 -0.52 0.00 0.00 57.07 55.80 1x3c s TYR 22 Cb 0.21 -1.77 0.10 0.00 0.38 0.00 0.00 41.96 40.88 1x3c s TYR 22 CO 0.78 0.37 0.19 -1.54 -1.52 0.00 0.00 175.55 173.83 1x3c s SER 23 N -3.78 5.28 0.09 -0.18 1.04 -1.26 -4.96 113.70 109.93 1x3c s SER 23 Ca 0.37 -1.88 -0.16 0.00 0.48 0.00 0.00 55.95 54.77 1x3c s SER 23 Cb 0.05 -1.84 -0.09 0.00 0.10 0.00 0.00 66.02 64.24 1x3c s SER 23 CO 0.20 -0.52 1.41 1.55 0.98 0.00 0.00 173.24 176.86 1x3c h PRO 24 N 8.11 0.65 -6.63 4.02 0.13 -1.99 -3.44 132.00 132.84 1x3c h PRO 24 Ca -0.15 -0.34 -0.51 0.00 -0.87 0.00 0.00 66.00 64.12 1x3c h PRO 24 Cb 1.05 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1x3c h PRO 24 CO 0.70 0.94 0.43 -0.47 -0.23 0.00 0.00 178.00 179.37 1x3c s TYR 25 N -4.36 3.69 -0.39 1.56 5.04 -1.26 -5.02 117.35 116.60 1x3c s TYR 25 Ca -0.13 1.68 0.01 0.00 -2.44 0.00 0.00 57.07 56.19 1x3c s TYR 25 Cb 0.08 -3.19 0.13 0.00 0.35 0.00 0.00 41.96 39.33 1x3c s TYR 25 CO 0.82 -0.29 0.20 1.03 -1.34 0.00 0.00 175.55 175.97 1x3c s ARG 26 N -0.29 0.97 0.55 4.97 1.81 -1.26 -4.78 118.95 120.91 1x3c s ARG 26 Ca 0.48 -1.61 0.34 0.00 -1.72 0.00 0.00 55.73 53.22 1x3c s ARG 26 Cb -0.27 -1.99 1.40 0.00 -0.45 0.00 0.00 34.95 33.64 1x3c s ARG 26 CO 0.33 -1.13 2.00 -1.00 -0.68 0.00 0.00 175.30 174.82 1x3c h PRO 27 N 7.13 0.00 -4.61 3.54 0.13 -1.90 -3.41 132.00 132.88 1x3c h PRO 27 Ca -0.03 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.41 1x3c h PRO 27 Cb 0.96 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.89 1x3c h PRO 27 CO 0.43 0.01 -0.46 0.71 -0.23 0.00 0.00 178.00 178.46 1x3c s TYR 28 N -3.70 3.23 0.09 1.56 2.02 -1.15 -5.05 117.35 114.36 1x3c s TYR 28 Ca 0.01 -0.42 0.09 0.00 -0.37 0.00 0.00 57.07 56.38 1x3c s TYR 28 Cb 0.09 -2.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 1x3c s TYR 28 CO 0.54 -0.48 -0.23 1.03 -1.57 0.00 0.00 175.55 174.84 1x3c s ARG 29 N 1.70 1.33 0.26 -0.62 3.00 -1.26 -1.43 118.95 121.93 1x3c s ARG 29 Ca 0.05 -1.16 -0.29 0.00 0.00 0.00 0.00 55.73 54.33 1x3c s ARG 29 Cb -0.18 -1.62 -0.09 0.00 0.00 0.00 0.00 34.95 33.06 1x3c s ARG 29 CO 0.10 0.39 1.20 0.00 0.00 0.00 0.00 175.30 176.99 1x3c h VAL 31 N 3.29 1.46 -1.37 0.00 -1.51 -1.93 -3.45 116.25 112.74 1x3c h VAL 31 Ca -0.47 -3.11 -0.67 0.00 -1.23 0.00 0.00 66.70 61.22 1x3c h VAL 31 Cb 1.22 2.71 -0.01 0.00 -2.13 0.00 0.00 31.29 33.08 1x3c h VAL 31 CO 0.69 0.83 1.29 1.41 -1.23 0.00 0.00 177.57 180.56 1x3c n HIS 32 N -3.29 1.82 -0.27 5.19 8.25 -1.26 -4.82 115.22 120.83 1x3c n HIS 32 Ca -0.01 0.25 0.02 0.00 -0.26 0.00 0.00 57.72 57.71 1x3c n HIS 32 Cb 0.91 -2.55 0.09 0.00 1.12 0.00 0.00 29.99 29.56 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 11.17 -0.01 -2.92 -0.41 5.75 -2.04 -1.97 115.11 124.67 1x3c h GLN 33 Ca -0.35 0.00 -0.75 0.00 -0.15 0.00 0.00 58.65 57.41 1x3c h GLN 33 Cb 1.31 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.72 1x3c h GLN 33 CO 1.00 -0.01 2.25 0.41 -2.65 0.00 0.00 178.83 179.83 1x3c n GLY 34 N -1.51 5.07 3.59 2.39 0.00 -1.26 -4.83 105.19 108.63 1x3c n GLY 34 Ca 0.11 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 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 4.31 3.47 -3.89 0.00 3.01 -1.26 -4.78 117.46 118.32 1x3c n PHE 36 Ca -0.16 -4.21 -0.24 0.00 1.01 0.00 0.00 57.45 53.85 1x3c n PHE 36 Cb 0.56 -0.66 -0.17 0.00 -0.01 0.00 0.00 39.48 39.19 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 -1.85 0.99 -0.12 4.37 0.00 -1.26 -5.07 121.76 118.83 1x3c s ALA 37 Ca 0.30 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1x3c s ALA 37 Cb 0.02 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.38 1x3c s ALA 37 CO -0.11 -0.38 -0.13 0.00 0.00 0.00 0.00 175.76 175.14 1x3c s ALA 38 N 1.73 1.62 0.46 0.00 0.00 -1.26 -2.20 121.76 122.11 1x3c s ALA 38 Ca 0.03 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1x3c s ALA 38 Cb -0.13 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1x3c s ALA 38 CO -0.06 -0.21 0.09 -0.06 0.00 0.00 0.00 175.76 175.52 1x3c s PHE 39 N 1.24 2.23 -0.27 0.00 0.08 -0.51 -4.95 117.98 115.79 1x3c s PHE 39 Ca -0.02 -0.76 -0.07 0.00 0.12 0.00 0.00 56.93 56.20 1x3c s PHE 39 Cb -0.14 -1.78 -0.14 0.00 -0.57 0.00 0.00 43.02 40.39 1x3c s PHE 39 CO -0.05 0.21 -0.30 2.41 -0.10 0.00 0.00 175.22 177.39 1x3c n THR 40 N -1.22 1.50 -3.22 0.64 -1.04 -1.26 -2.92 114.28 106.77 1x3c n THR 40 Ca -0.08 -0.47 -0.38 0.00 -2.04 0.00 0.00 64.05 61.08 1x3c n THR 40 Cb 0.66 -1.67 -0.06 0.00 -1.82 0.00 0.00 70.33 67.44 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 -2.51 4.67 0.31 12.58 1.01 -1.26 -4.76 121.20 131.23 1x3c s ILE 41 Ca -0.37 1.27 0.20 0.00 0.00 0.00 0.00 60.65 61.75 1x3c s ILE 41 Cb 0.12 -3.92 0.18 0.00 0.01 0.00 0.00 42.46 38.86 1x3c s ILE 41 CO 0.54 0.49 1.88 -0.61 0.00 0.00 0.00 174.94 177.24 1x3c h GLN 42 N 4.30 0.00 0.35 2.79 -0.00 -1.99 -2.91 115.11 117.65 1x3c h GLN 42 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.14 1x3c h GLN 42 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.69 1x3c h GLN 42 CO 0.64 0.27 -0.17 0.37 0.00 0.00 0.00 178.83 179.95 1x3c h GLN 43 N 0.00 -0.45 0.00 1.69 5.75 -2.01 -2.94 115.11 117.15 1x3c h GLN 43 Ca -0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1x3c h GLN 43 Cb 0.62 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.27 1x3c h GLN 43 CO 0.04 -0.30 0.19 0.27 -2.65 0.00 0.00 178.83 176.38 1x3c n ASN 44 N -4.79 0.35 0.07 -0.69 0.23 -1.23 0.60 115.26 109.81 1x3c n ASN 44 Ca -0.06 0.59 0.02 0.00 -0.53 0.00 0.00 54.58 54.60 1x3c n ASN 44 Cb 0.18 -0.58 -0.04 0.00 -2.08 0.00 0.00 39.78 37.27 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 0.68 -4.53 5.85 -1.47 -3.32 115.31 112.53 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 0.38 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.42 1x3c h LEU 45 CO 0.00 0.50 -0.33 0.40 -0.34 0.00 0.00 178.44 178.67 1x3c h ILE 46 N 0.00 0.00 -0.97 4.05 2.04 0.33 -3.18 117.51 119.79 1x3c h ILE 46 Ca -0.10 -0.29 0.21 0.00 1.00 0.00 0.00 64.86 65.68 1x3c h ILE 46 Cb 1.47 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.43 1x3c h ILE 46 CO 0.05 0.00 0.55 -0.07 0.00 0.00 0.00 178.15 178.68 1x3c h LEU 47 N -1.21 0.64 -0.94 1.44 -0.00 -1.73 -0.42 115.31 113.07 1x3c h LEU 47 Ca -0.09 0.12 0.27 0.00 -0.00 0.00 0.00 57.88 58.18 1x3c h LEU 47 Cb 0.70 0.02 -0.17 0.00 -0.00 0.00 0.00 40.66 41.22 1x3c h LEU 47 CO 0.15 0.15 0.16 -0.74 -0.00 0.00 0.00 178.44 178.16 1x3c h HIS 48 N 0.61 0.19 -0.21 1.13 -0.00 -1.64 1.13 115.15 116.36 1x3c h HIS 48 Ca 0.59 0.06 -0.13 0.00 -0.00 0.00 0.00 60.37 60.89 1x3c h HIS 48 Cb 1.03 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.50 1x3c h HIS 48 CO -0.04 -0.36 -0.42 1.88 -0.00 0.00 0.00 177.93 178.99 1x3c h TYR 49 N 0.08 0.59 0.00 5.26 -1.99 -1.15 0.21 116.97 119.97 1x3c h TYR 49 Ca 0.61 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 61.16 1x3c h TYR 49 Cb 1.30 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.90 1x3c h TYR 49 CO -0.36 0.84 0.00 1.96 -0.00 0.00 0.00 178.16 180.60 1x3c h GLN 50 N 0.41 0.00 0.00 4.88 4.20 0.11 1.37 115.11 126.07 1x3c h GLN 50 Ca 0.03 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.53 1x3c h GLN 50 Cb 0.91 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1x3c h GLN 50 CO 0.08 0.00 -2.16 0.00 -0.67 0.00 0.00 178.83 176.08 1x3c n ALA 51 N -1.94 2.02 -0.10 3.87 0.00 0.19 -3.33 120.51 121.23 1x3c n ALA 51 Ca 0.04 -0.96 -0.17 0.00 0.00 0.00 0.00 53.44 52.34 1x3c n ALA 51 Cb 0.40 -0.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.58 1.39 0.40 0.00 0.31 0.71 -4.62 118.33 113.94 1x3c n VAL 52 Ca -0.20 -0.08 0.12 0.00 -0.01 0.00 0.00 64.34 64.17 1x3c n VAL 52 Cb 0.91 -2.04 0.21 0.00 -0.91 0.00 0.00 33.84 32.01 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 0.45 -3.41 3.52 8.25 0.16 -4.95 115.22 115.04 1x3c n HIS 53 Ca -0.30 -0.23 -0.22 0.00 -0.26 0.00 0.00 57.72 56.71 1x3c n HIS 53 Cb 0.64 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.70 1x3c n HIS 53 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1x3c n LYS 54 N 1.46 -0.88 -3.47 -0.41 0.00 0.42 -4.81 118.16 110.47 1x3c n LYS 54 Ca 0.19 0.07 -0.12 0.00 -0.00 0.00 0.00 58.31 58.45 1x3c n LYS 54 Cb 0.60 -2.51 -0.03 0.00 -0.00 0.00 0.00 35.03 33.10 1x3c n LYS 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x3c n SER 55 N -1.30 -1.02 -4.90 -5.58 7.64 -1.09 -4.90 113.62 102.46 1x3c n SER 55 Ca -0.04 -2.50 -0.28 0.00 1.01 0.00 0.00 58.87 57.07 1x3c n SER 55 Cb 0.32 1.93 0.01 0.00 -1.01 0.00 0.00 64.21 65.46 1x3c n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x3c s ASP 56 N -2.70 6.19 0.13 6.43 -1.08 -1.26 -3.88 116.67 120.50 1x3c s ASP 56 Ca 0.23 1.03 0.07 0.00 -0.52 0.00 0.00 52.55 53.37 1x3c s ASP 56 Cb -0.01 -2.25 -0.04 0.00 -1.46 0.00 0.00 42.92 39.16 1x3c s ASP 56 CO 0.17 -0.70 -0.17 -1.48 0.52 0.00 0.00 175.17 173.51 1x3c s LEU 57 N -4.88 2.40 1.10 -1.34 2.34 -1.26 -5.05 118.68 111.99 1x3c s LEU 57 Ca 0.50 -0.80 -0.16 0.00 0.06 0.00 0.00 54.13 53.73 1x3c s LEU 57 Cb -0.10 -0.71 0.24 0.00 -0.56 0.00 0.00 46.19 45.06 1x3c s LEU 57 CO 0.47 -0.07 1.10 -2.16 -1.06 0.00 0.00 176.35 174.63 1x3c s PRO 58 N -2.57 -0.42 -1.18 1.48 0.04 -1.26 -4.10 135.00 126.99 1x3c s PRO 58 Ca 0.11 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1x3c s PRO 58 Cb -0.06 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1x3c s PRO 58 CO 0.05 -3.24 0.00 0.00 0.04 0.00 0.00 177.00 173.85 1x3c n ALA 59 N -4.48 -0.36 -0.03 8.56 0.00 -1.26 -4.95 120.51 117.99 1x3c n ALA 59 Ca 0.09 0.12 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 1x3c n ALA 59 Cb 0.58 -1.57 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 1x3c n ALA 59 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1x3c h PHE 60 N 0.00 0.00 -2.94 0.00 3.57 -2.04 -3.45 116.94 112.08 1x3c h PHE 60 Ca -0.31 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.63 1x3c h PHE 60 Cb 1.18 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1x3c h PHE 60 CO 0.36 0.00 0.84 -1.12 -2.23 0.00 0.00 178.31 176.16 1x3c s SER 61 N -4.28 6.94 0.04 0.41 0.01 -1.26 -4.95 113.70 110.62 1x3c s SER 61 Ca -0.02 1.84 -0.22 0.00 1.31 0.00 0.00 55.95 58.86 1x3c s SER 61 Cb 0.00 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.76 1x3c s SER 61 CO 0.02 -0.71 1.03 0.00 0.41 0.00 0.00 173.24 173.99 1x3c n ALA 62 N 6.01 -2.84 -2.47 1.44 0.00 -1.26 -5.11 120.51 116.29 1x3c n ALA 62 Ca 0.13 -0.76 -0.42 0.00 0.00 0.00 0.00 53.44 52.39 1x3c n ALA 62 Cb 0.45 0.26 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.02 3.52 0.13 0.00 -1.05 -1.26 -4.98 118.70 113.04 1x3c s GLU 63 Ca 0.24 0.58 -0.02 0.00 -0.15 0.00 0.00 54.97 55.61 1x3c s GLU 63 Cb -0.01 -4.02 -0.04 0.00 -0.44 0.00 0.00 34.13 29.62 1x3c s GLU 63 CO 0.01 -1.65 0.08 0.14 0.95 0.00 0.00 175.26 174.80 1x3c s VAL 64 N 5.27 0.11 -0.47 1.83 -7.23 -1.26 -5.11 120.40 113.55 1x3c s VAL 64 Ca 0.52 -1.82 0.07 0.00 -1.81 0.00 0.00 61.98 58.94 1x3c s VAL 64 Cb -0.10 -1.97 0.25 0.00 0.56 0.00 0.00 36.38 35.12 1x3c s VAL 64 CO 0.29 -0.48 0.60 1.21 -0.31 0.00 0.00 175.10 176.41 1x3c n GLU 65 N -0.10 1.30 -1.54 4.82 4.07 -1.26 -5.07 120.64 122.86 1x3c n GLU 65 Ca -0.06 -3.69 -0.38 0.00 -0.06 0.00 0.00 57.16 52.97 1x3c n GLU 65 Cb 0.63 -1.55 -0.06 0.00 -0.06 0.00 0.00 31.44 30.41 1x3c n GLU 65 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1x3c n GLU 66 N 1.21 0.85 -4.37 5.31 1.02 -1.26 -4.92 120.64 118.48 1x3c n GLU 66 Ca 0.24 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 57.12 1x3c n GLU 66 Cb 0.49 -2.98 -0.12 0.00 -0.02 0.00 0.00 31.44 28.82 1x3c n GLU 66 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1x3c s GLU 67 N 8.27 1.54 -0.67 3.49 -1.05 -1.26 -5.02 118.70 124.00 1x3c s GLU 67 Ca 1.07 -1.34 -0.24 0.00 -0.15 0.00 0.00 54.97 54.31 1x3c s GLU 67 Cb -0.45 -1.95 -0.16 0.00 -0.44 0.00 0.00 34.13 31.13 1x3c s GLU 67 CO 0.33 0.45 1.91 0.43 0.95 0.00 0.00 175.26 179.32 1x3c n SER 68 N 0.72 0.27 -4.59 0.83 7.64 -1.26 -4.66 113.62 112.57 1x3c n SER 68 Ca -0.16 0.19 -0.59 0.00 1.01 0.00 0.00 58.87 59.32 1x3c n SER 68 Cb 0.54 -0.67 -0.08 0.00 -1.01 0.00 0.00 64.21 62.99 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 4.88 0.08 0.06 0.23 0.00 -1.26 -4.88 105.19 104.30 1x3c n GLY 69 Ca 0.47 0.81 -0.13 0.00 0.00 0.00 0.00 46.02 47.17 1x3c n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3c h PRO 70 N 4.10 -0.01 -1.84 1.61 0.13 -1.93 -3.49 132.00 130.56 1x3c h PRO 70 Ca -0.49 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 64.88 1x3c h PRO 70 Cb 1.39 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.39 1x3c h PRO 70 CO 0.77 0.47 0.67 0.45 -0.23 0.00 0.00 178.00 180.13 1x3c s SER 71 N -5.68 -0.15 0.20 1.44 0.15 -1.26 -4.81 113.70 103.59 1x3c s SER 71 Ca -0.16 -0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.23 1x3c s SER 71 Cb 0.02 0.29 -0.07 0.00 -1.71 0.00 0.00 66.02 64.55 1x3c s SER 71 CO 0.67 -0.51 0.51 -0.44 1.20 0.00 0.00 173.24 174.67 1x3c s SER 72 N -2.74 6.62 0.00 5.45 0.01 -1.26 -5.06 113.70 116.72 1x3c s SER 72 Ca 0.11 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1x3c s SER 72 Cb 0.01 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1x3c s SER 72 CO -0.03 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.21