#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 -0.77 0.04 1.61 0.01 -1.26 -5.17 113.70 108.16 1x3c s SER 2 Ca 0.00 1.26 -0.29 0.00 1.31 0.00 0.00 55.95 58.23 1x3c s SER 2 Cb 0.00 1.13 0.10 0.00 0.21 0.00 0.00 66.02 67.46 1x3c s SER 2 CO 0.00 -0.22 1.13 -0.94 0.41 0.00 0.00 173.24 173.62 1x3c s SER 3 N 1.54 -0.13 0.00 2.44 1.04 -1.26 -5.17 113.70 112.16 1x3c s SER 3 Ca -0.10 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1x3c s SER 3 Cb -0.06 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1x3c s SER 3 CO -0.17 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1x3c n GLY 4 N -0.43 1.13 3.24 7.32 0.00 -1.26 -5.17 105.19 110.02 1x3c n GLY 4 Ca -0.07 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.45 0.12 1.61 1.04 -1.26 -5.16 113.70 109.60 1x3c s SER 5 Ca 0.00 0.81 -0.25 0.00 0.48 0.00 0.00 55.95 56.98 1x3c s SER 5 Cb 0.00 0.72 0.07 0.00 0.10 0.00 0.00 66.02 66.91 1x3c s SER 5 CO 0.00 -0.17 0.88 -0.44 0.98 0.00 0.00 173.24 174.49 1x3c s SER 6 N 1.05 -0.27 0.66 7.02 0.01 -1.26 -5.17 113.70 115.74 1x3c s SER 6 Ca -0.07 -0.28 -0.13 0.00 1.31 0.00 0.00 55.95 56.78 1x3c s SER 6 Cb -0.07 0.50 -0.01 0.00 0.21 0.00 0.00 66.02 66.65 1x3c s SER 6 CO -0.09 -0.88 1.07 -0.83 0.41 0.00 0.00 173.24 172.92 1x3c s GLY 7 N -2.79 1.93 -0.23 3.44 0.00 -1.26 -5.00 107.32 103.40 1x3c s GLY 7 Ca 0.09 0.30 -0.04 0.00 0.00 0.00 0.00 44.72 45.07 1x3c s GLY 7 CO -0.02 0.62 -0.25 0.54 0.00 0.00 0.00 173.10 174.00 1x3c n ARG 8 N -2.62 0.55 -3.85 2.90 5.12 -1.26 -5.06 116.66 112.44 1x3c n ARG 8 Ca 0.09 0.17 -0.09 0.00 -1.93 0.00 0.00 57.85 56.08 1x3c n ARG 8 Cb 0.53 -1.42 -0.07 0.00 -1.16 0.00 0.00 32.46 30.35 1x3c n ARG 8 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1x3c s LYS 9 N -2.45 0.98 0.18 5.56 1.02 -1.26 -5.18 119.74 118.60 1x3c s LYS 9 Ca -0.32 -0.98 0.09 0.00 0.02 0.00 0.00 55.97 54.78 1x3c s LYS 9 Cb 0.10 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.74 1x3c s LYS 9 CO 0.48 -0.34 -0.12 0.15 -0.92 0.00 0.00 175.35 174.60 1x3c s LYS 10 N -3.88 1.96 0.54 1.68 -0.14 -1.26 -5.12 119.74 113.51 1x3c s LYS 10 Ca 0.08 -1.31 -0.19 0.00 -1.36 0.00 0.00 55.97 53.19 1x3c s LYS 10 Cb 0.04 -2.10 -0.06 0.00 -1.68 0.00 0.00 37.83 34.03 1x3c s LYS 10 CO -0.08 0.43 1.13 -1.25 -0.76 0.00 0.00 175.35 174.82 1x3c s PRO 11 N -2.77 3.36 -0.06 -1.68 0.04 -1.26 -5.05 135.00 127.58 1x3c s PRO 11 Ca 0.24 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1x3c s PRO 11 Cb -0.09 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.55 1x3c s PRO 11 CO 0.14 -0.84 0.89 0.54 0.04 0.00 0.00 177.00 177.76 1x3c s VAL 12 N -1.77 0.00 -0.17 -0.36 0.11 -1.26 -5.15 120.40 111.80 1x3c s VAL 12 Ca 0.73 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.61 1x3c s VAL 12 Cb -0.24 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 1x3c s VAL 12 CO 0.27 0.00 0.43 -0.94 -3.33 0.00 0.00 175.10 171.53 1x3c s SER 13 N -1.87 6.54 -0.08 3.54 1.04 -1.26 -4.96 113.70 116.65 1x3c s SER 13 Ca 0.01 0.64 -0.07 0.00 0.48 0.00 0.00 55.95 57.00 1x3c s SER 13 Cb -0.01 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 1x3c s SER 13 CO -0.03 -0.05 -0.17 0.00 0.98 0.00 0.00 173.24 173.97 1x3c n GLN 14 N 4.18 0.26 -3.79 4.02 6.02 -1.26 -5.13 117.38 121.68 1x3c n GLN 14 Ca -0.08 0.11 -0.04 0.00 -0.01 0.00 0.00 57.00 56.99 1x3c n GLN 14 Cb 0.51 -0.95 -0.00 0.00 1.02 0.00 0.00 30.24 30.82 1x3c n GLN 14 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1x3c s SER 15 N -6.07 -0.12 0.51 1.08 0.15 -1.26 -5.16 113.70 102.82 1x3c s SER 15 Ca -0.16 -0.53 -0.21 0.00 0.70 0.00 0.00 55.95 55.76 1x3c s SER 15 Cb 0.05 0.52 -0.07 0.00 -1.71 0.00 0.00 66.02 64.81 1x3c s SER 15 CO 0.22 -0.99 1.12 -0.76 1.20 0.00 0.00 173.24 174.02 1x3c s LEU 16 N -3.06 3.85 0.03 3.45 1.43 -1.26 -4.97 118.68 118.15 1x3c s LEU 16 Ca 0.15 2.16 -0.17 0.00 -1.03 0.00 0.00 54.13 55.24 1x3c s LEU 16 Cb -0.02 -4.48 -0.24 0.00 0.03 0.00 0.00 46.19 41.48 1x3c s LEU 16 CO 0.04 -1.05 1.12 1.05 0.23 0.00 0.00 176.35 177.74 1x3c h GLU 17 N 1.52 0.54 -6.36 1.70 4.11 -2.07 -3.44 114.58 110.58 1x3c h GLU 17 Ca -0.50 -0.60 -0.54 0.00 0.07 0.00 0.00 59.36 57.79 1x3c h GLU 17 Cb 1.25 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1x3c h GLU 17 CO 0.58 1.22 0.91 0.12 0.07 0.00 0.00 179.01 181.92 1x3c s PHE 18 N -3.19 2.63 -0.02 2.06 5.36 -1.26 -4.94 117.98 118.62 1x3c s PHE 18 Ca -0.12 0.63 -0.24 0.00 -0.96 0.00 0.00 56.93 56.24 1x3c s PHE 18 Cb 0.05 -3.76 -0.18 0.00 -0.34 0.00 0.00 43.02 38.79 1x3c s PHE 18 CO 0.87 -2.93 1.14 -1.00 -1.46 0.00 0.00 175.22 171.84 1x3c h PRO 19 N 8.21 -0.19 -1.39 10.12 0.13 -2.02 -3.49 132.00 143.36 1x3c h PRO 19 Ca -0.38 0.01 0.31 0.00 -0.87 0.00 0.00 66.00 65.07 1x3c h PRO 19 Cb 1.18 0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 1x3c h PRO 19 CO 0.92 0.22 0.85 -0.08 -0.23 0.00 0.00 178.00 179.68 1x3c s THR 20 N -4.14 0.00 0.25 1.56 -1.32 -1.26 -5.03 115.64 105.71 1x3c s THR 20 Ca -0.14 -0.13 -0.03 0.00 -1.21 0.00 0.00 61.69 60.18 1x3c s THR 20 Cb 0.01 -1.67 0.24 0.00 -1.51 0.00 0.00 72.50 69.57 1x3c s THR 20 CO 0.57 0.00 1.71 -0.09 -2.21 0.00 0.00 174.62 174.60 1x3c h ARG 21 N 2.00 0.38 -2.75 7.08 9.65 -2.05 -3.45 114.38 125.24 1x3c h ARG 21 Ca -0.23 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 58.71 1x3c h ARG 21 Cb 1.19 -0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 29.60 1x3c h ARG 21 CO 0.26 0.25 0.32 1.52 2.80 0.00 0.00 179.97 185.13 1x3c s TYR 22 N -6.00 -0.24 -0.63 2.20 1.13 -1.26 -5.12 117.35 107.43 1x3c s TYR 22 Ca -0.12 -0.11 -0.12 0.00 -1.41 0.00 0.00 57.07 55.31 1x3c s TYR 22 Cb 0.22 0.65 0.16 0.00 -1.10 0.00 0.00 41.96 41.89 1x3c s TYR 22 CO 0.76 -1.00 0.55 -1.54 -2.51 0.00 0.00 175.55 171.81 1x3c s SER 23 N -2.86 6.14 0.16 -0.18 1.04 -1.26 -4.92 113.70 111.83 1x3c s SER 23 Ca 0.09 -2.27 -0.08 0.00 0.48 0.00 0.00 55.95 54.17 1x3c s SER 23 Cb -0.03 -2.11 0.02 0.00 0.10 0.00 0.00 66.02 63.99 1x3c s SER 23 CO 0.01 -0.66 1.51 1.55 0.98 0.00 0.00 173.24 176.63 1x3c h PRO 24 N 8.16 0.85 -1.34 4.02 0.13 -2.01 -3.46 132.00 138.35 1x3c h PRO 24 Ca -0.10 -0.44 0.14 0.00 -0.87 0.00 0.00 66.00 64.73 1x3c h PRO 24 Cb 1.05 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 31.93 1x3c h PRO 24 CO 0.85 1.08 0.40 -0.47 -0.23 0.00 0.00 178.00 179.64 1x3c s TYR 25 N -4.36 -0.52 -0.56 1.56 6.14 -1.26 -5.12 117.35 113.23 1x3c s TYR 25 Ca -0.10 1.01 -0.13 0.00 0.64 0.00 0.00 57.07 58.49 1x3c s TYR 25 Cb 0.11 0.31 0.14 0.00 0.42 0.00 0.00 41.96 42.95 1x3c s TYR 25 CO 0.87 -0.26 0.47 -0.98 0.64 0.00 0.00 175.55 176.29 1x3c s ARG 26 N 1.55 2.86 0.00 4.97 3.03 -1.26 -4.87 118.95 125.23 1x3c s ARG 26 Ca -0.07 -1.87 0.15 0.00 2.03 0.00 0.00 55.73 55.96 1x3c s ARG 26 Cb -0.04 -4.15 0.77 0.00 -1.03 0.00 0.00 34.95 30.50 1x3c s ARG 26 CO -0.15 -1.27 1.40 -0.35 -1.13 0.00 0.00 175.30 173.80 1x3c n PRO 27 N 4.87 0.24 -3.70 3.89 -0.04 -1.26 -4.49 135.00 134.51 1x3c n PRO 27 Ca -0.07 0.13 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 1x3c n PRO 27 Cb 0.41 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.50 3.27 0.03 0.54 2.02 -1.18 -5.08 117.35 114.45 1x3c s TYR 28 Ca 0.15 -1.38 0.07 0.00 -0.37 0.00 0.00 57.07 55.54 1x3c s TYR 28 Cb 0.10 -2.44 -0.03 0.00 -0.40 0.00 0.00 41.96 39.19 1x3c s TYR 28 CO 0.22 -0.74 -0.19 0.50 -1.57 0.00 0.00 175.55 173.77 1x3c s ARG 29 N 1.43 2.07 0.04 -0.62 3.52 -1.26 -1.25 118.95 122.88 1x3c s ARG 29 Ca -0.00 -0.97 -0.30 0.00 -0.13 0.00 0.00 55.73 54.33 1x3c s ARG 29 Cb -0.20 -2.16 -0.08 0.00 -1.56 0.00 0.00 34.95 30.95 1x3c s ARG 29 CO 0.03 0.55 1.70 0.00 -0.81 0.00 0.00 175.30 176.77 1x3c h VAL 31 N 5.05 1.21 -1.00 0.00 -1.51 -1.98 -3.44 116.25 114.58 1x3c h VAL 31 Ca -0.43 -0.70 -0.84 0.00 -1.23 0.00 0.00 66.70 63.51 1x3c h VAL 31 Cb 1.20 1.15 0.03 0.00 -2.13 0.00 0.00 31.29 31.54 1x3c h VAL 31 CO 0.94 0.23 0.40 1.41 -1.23 0.00 0.00 177.57 179.31 1x3c n HIS 32 N -4.70 1.24 -2.45 5.19 8.25 -1.26 -4.79 115.22 116.70 1x3c n HIS 32 Ca -0.03 1.11 -0.39 0.00 -0.26 0.00 0.00 57.72 58.15 1x3c n HIS 32 Cb 0.18 -2.16 -0.03 0.00 1.12 0.00 0.00 29.99 29.10 1x3c n HIS 32 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1x3c s GLN 33 N 1.60 3.24 0.00 -0.41 -0.44 -1.26 -3.44 119.66 118.95 1x3c s GLN 33 Ca 0.98 -0.55 0.00 0.00 -2.50 0.00 0.00 55.36 53.29 1x3c s GLN 33 Cb -1.39 -4.82 0.00 0.00 -1.64 0.00 0.00 33.01 25.16 1x3c s GLN 33 CO 0.70 -2.38 0.00 0.41 0.50 0.00 0.00 175.29 174.53 1x3c n GLY 34 N 6.25 1.08 0.36 2.59 0.00 -1.26 -5.06 105.19 109.13 1x3c n GLY 34 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.08 -2.27 -3.85 0.00 3.72 -1.26 -5.00 117.46 105.73 1x3c n PHE 36 Ca -0.17 0.81 -0.30 0.00 -0.05 0.00 0.00 57.45 57.74 1x3c n PHE 36 Cb 0.65 -4.29 -0.15 0.00 -0.94 0.00 0.00 39.48 34.76 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 -3.26 2.14 -0.22 4.37 0.00 -1.26 -5.08 121.76 118.45 1x3c s ALA 37 Ca 0.42 -2.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.24 1x3c s ALA 37 Cb -0.19 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 1x3c s ALA 37 CO 0.59 -1.71 -0.05 0.00 0.00 0.00 0.00 175.76 174.58 1x3c s ALA 38 N 1.21 2.79 0.18 0.00 0.00 -1.26 -2.25 121.76 122.43 1x3c s ALA 38 Ca 0.11 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.96 1x3c s ALA 38 Cb -0.19 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 1x3c s ALA 38 CO -0.16 -0.41 0.13 -0.06 0.00 0.00 0.00 175.76 175.26 1x3c s PHE 39 N 1.44 3.11 -0.15 0.00 0.40 -0.38 -4.99 117.98 117.41 1x3c s PHE 39 Ca 0.05 -0.05 -0.18 0.00 -0.60 0.00 0.00 56.93 56.16 1x3c s PHE 39 Cb -0.14 -1.48 -0.24 0.00 0.51 0.00 0.00 43.02 41.67 1x3c s PHE 39 CO -0.04 0.52 0.42 1.15 0.70 0.00 0.00 175.22 177.97 1x3c h THR 40 N 1.97 0.99 -3.48 0.64 2.02 -1.89 -3.11 112.91 110.05 1x3c h THR 40 Ca -0.48 -2.30 -0.52 0.00 0.77 0.00 0.00 66.41 63.88 1x3c h THR 40 Cb 1.21 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 70.15 1x3c h THR 40 CO 0.62 0.58 -0.06 -0.63 0.37 0.00 0.00 175.52 176.39 1x3c s ILE 41 N -2.42 4.89 0.10 3.11 1.01 -1.26 -4.53 121.20 122.09 1x3c s ILE 41 Ca -0.24 0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 1x3c s ILE 41 Cb 0.05 -3.64 -0.17 0.00 0.01 0.00 0.00 42.46 38.71 1x3c s ILE 41 CO 0.69 -0.15 1.29 -0.61 0.00 0.00 0.00 174.94 176.16 1x3c h GLN 42 N 2.31 0.78 0.87 2.79 4.15 -1.98 -2.91 115.11 121.12 1x3c h GLN 42 Ca -0.47 -0.66 -0.04 0.00 0.77 0.00 0.00 58.65 58.24 1x3c h GLN 42 Cb 1.17 0.15 0.01 0.00 0.21 0.00 0.00 27.48 29.02 1x3c h GLN 42 CO 0.68 1.27 -0.42 0.37 -1.93 0.00 0.00 178.83 178.79 1x3c h GLN 43 N 0.52 -1.13 0.00 1.69 5.75 -2.01 -2.19 115.11 117.74 1x3c h GLN 43 Ca -0.06 0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1x3c h GLN 43 Cb 1.44 0.26 0.00 0.00 1.07 0.00 0.00 27.48 30.25 1x3c h GLN 43 CO 0.17 -0.75 0.01 0.09 -2.65 0.00 0.00 178.83 175.69 1x3c n ASN 44 N -5.56 0.00 0.05 -0.69 4.13 -1.25 -0.47 115.26 111.47 1x3c n ASN 44 Ca -0.15 0.49 0.00 0.00 1.68 0.00 0.00 54.58 56.61 1x3c n ASN 44 Cb 0.47 -0.49 -0.07 0.00 -1.54 0.00 0.00 39.78 38.14 1x3c n ASN 44 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1x3c h LEU 45 N 0.00 0.00 0.54 3.41 5.85 -1.20 -3.34 115.31 120.57 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 0.01 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.05 1x3c h LEU 45 CO 0.00 0.58 -0.26 0.40 -0.34 0.00 0.00 178.44 178.82 1x3c h ILE 46 N 0.00 0.00 -0.90 4.05 2.04 -0.24 -3.19 117.51 119.27 1x3c h ILE 46 Ca -0.14 -0.20 0.25 0.00 1.00 0.00 0.00 64.86 65.77 1x3c h ILE 46 Cb 1.57 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.51 1x3c h ILE 46 CO 0.05 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.46 1x3c h LEU 47 N -0.92 0.16 -0.97 1.44 -0.00 -1.76 0.21 115.31 113.47 1x3c h LEU 47 Ca -0.07 0.19 0.32 0.00 -0.00 0.00 0.00 57.88 58.31 1x3c h LEU 47 Cb 0.56 0.22 -0.16 0.00 -0.00 0.00 0.00 40.66 41.27 1x3c h LEU 47 CO 0.12 -0.12 0.35 -0.74 -0.00 0.00 0.00 178.44 178.05 1x3c h HIS 48 N 0.27 0.53 -0.03 1.13 -0.00 -1.67 1.16 115.15 116.53 1x3c h HIS 48 Ca 0.59 0.05 -0.15 0.00 -0.00 0.00 0.00 60.37 60.85 1x3c h HIS 48 Cb 1.20 -0.07 0.01 0.00 -0.00 0.00 0.00 27.41 28.55 1x3c h HIS 48 CO -0.19 -0.34 -0.57 1.88 -0.00 0.00 0.00 177.93 178.71 1x3c h TYR 49 N 0.12 0.63 0.00 5.26 -1.99 -0.67 0.34 116.97 120.67 1x3c h TYR 49 Ca 0.69 -0.32 0.00 0.00 2.00 0.00 0.00 58.73 61.10 1x3c h TYR 49 Cb 1.61 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.26 1x3c h TYR 49 CO -0.19 1.12 0.00 1.96 -0.00 0.00 0.00 178.16 181.06 1x3c h GLN 50 N -0.05 0.00 0.00 4.88 4.20 -0.16 1.51 115.11 125.48 1x3c h GLN 50 Ca -0.06 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.31 1x3c h GLN 50 Cb 1.26 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.97 1x3c h GLN 50 CO 0.11 0.00 -2.28 0.00 -0.67 0.00 0.00 178.83 175.99 1x3c n ALA 51 N -1.92 1.53 -0.09 3.87 0.00 0.36 -3.34 120.51 120.92 1x3c n ALA 51 Ca 0.01 -1.19 -0.13 0.00 0.00 0.00 0.00 53.44 52.12 1x3c n ALA 51 Cb 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.76 1.48 -0.46 0.00 0.31 0.12 -4.52 118.33 112.49 1x3c n VAL 52 Ca -0.32 0.07 0.08 0.00 -0.01 0.00 0.00 64.34 64.16 1x3c n VAL 52 Cb 1.08 -2.22 0.25 0.00 -0.91 0.00 0.00 33.84 32.04 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 -4.50 0.89 -3.03 3.52 8.25 0.23 -4.96 115.22 115.62 1x3c n HIS 53 Ca -0.21 -0.59 -0.16 0.00 -0.26 0.00 0.00 57.72 56.50 1x3c n HIS 53 Cb 0.49 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.44 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 0.68 -0.92 -4.35 -0.41 0.00 0.45 -4.83 118.16 108.78 1x3c n LYS 54 Ca 0.19 0.05 -0.18 0.00 -0.00 0.00 0.00 58.31 58.37 1x3c n LYS 54 Cb 0.66 -1.80 -0.10 0.00 -0.00 0.00 0.00 35.03 33.78 1x3c n LYS 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1x3c s SER 55 N -2.73 1.90 0.15 -5.58 1.04 -1.10 -4.88 113.70 102.50 1x3c s SER 55 Ca 0.19 -1.24 -0.13 0.00 0.48 0.00 0.00 55.95 55.25 1x3c s SER 55 Cb -0.11 -0.00 -0.07 0.00 0.10 0.00 0.00 66.02 65.94 1x3c s SER 55 CO 0.44 -0.53 0.53 1.51 0.98 0.00 0.00 173.24 176.18 1x3c s ASP 56 N -3.33 6.78 0.71 7.02 -4.77 -1.26 -3.65 116.67 118.17 1x3c s ASP 56 Ca 0.30 1.03 -0.16 0.00 -3.30 0.00 0.00 52.55 50.42 1x3c s ASP 56 Cb 0.06 -2.27 0.00 0.00 -1.09 0.00 0.00 42.92 39.62 1x3c s ASP 56 CO 0.10 0.09 0.97 0.18 0.70 0.00 0.00 175.17 177.21 1x3c n LEU 57 N 0.70 3.58 -0.09 2.11 7.99 -1.26 -4.93 117.00 125.10 1x3c n LEU 57 Ca -0.05 0.68 -0.12 0.00 -0.01 0.00 0.00 56.01 56.52 1x3c n LEU 57 Cb 0.52 -1.41 0.01 0.00 -0.11 0.00 0.00 43.42 42.43 1x3c n LEU 57 CO 0.43 -2.00 0.55 1.55 -1.51 0.00 0.00 177.39 176.41 1x3c h PRO 58 N -0.16 0.85 -5.60 3.23 0.13 -2.04 -3.46 132.00 124.95 1x3c h PRO 58 Ca -0.48 -0.45 -0.63 0.00 -0.87 0.00 0.00 66.00 63.58 1x3c h PRO 58 Cb 1.34 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.40 1x3c h PRO 58 CO 0.47 1.09 -0.40 0.00 -0.23 0.00 0.00 178.00 178.94 1x3c s ALA 59 N -4.35 4.28 -0.12 -0.56 0.00 -1.26 -5.16 121.76 114.59 1x3c s ALA 59 Ca -0.10 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 1x3c s ALA 59 Cb 0.11 -0.39 0.09 0.00 0.00 0.00 0.00 23.12 22.94 1x3c s ALA 59 CO 0.87 -0.25 0.82 0.12 0.00 0.00 0.00 175.76 177.32 1x3c s PHE 60 N -2.81 -0.55 0.99 0.00 5.36 -1.26 -5.16 117.98 114.55 1x3c s PHE 60 Ca 0.21 0.99 -0.16 0.00 -0.96 0.00 0.00 56.93 57.01 1x3c s PHE 60 Cb -0.00 0.41 -0.09 0.00 -0.34 0.00 0.00 43.02 43.00 1x3c s PHE 60 CO 0.13 -0.47 -0.45 0.45 -1.46 0.00 0.00 175.22 173.41 1x3c n SER 61 N 1.01 -4.61 -3.58 6.13 2.88 -1.26 -5.02 113.62 109.18 1x3c n SER 61 Ca -0.15 0.21 -0.17 0.00 -1.33 0.00 0.00 58.87 57.43 1x3c n SER 61 Cb 0.57 -0.89 -0.09 0.00 -0.75 0.00 0.00 64.21 63.06 1x3c n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x3c s ALA 62 N -2.13 1.63 -1.14 -1.46 0.00 -1.26 -5.07 121.76 112.33 1x3c s ALA 62 Ca 0.45 -1.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.25 1x3c s ALA 62 Cb -0.17 1.45 0.03 0.00 0.00 0.00 0.00 23.12 24.42 1x3c s ALA 62 CO 0.77 -0.65 1.68 -1.83 0.00 0.00 0.00 175.76 175.73 1x3c s GLU 63 N -3.63 3.51 -0.15 0.00 1.03 -1.26 -4.96 118.70 113.25 1x3c s GLU 63 Ca 0.40 -1.39 -0.07 0.00 0.03 0.00 0.00 54.97 53.94 1x3c s GLU 63 Cb 0.04 -5.39 -0.04 0.00 -0.80 0.00 0.00 34.13 27.94 1x3c s GLU 63 CO 0.23 -2.56 0.10 0.08 -1.33 0.00 0.00 175.26 171.78 1x3c s VAL 64 N 5.93 5.18 -0.38 1.83 1.01 -1.26 -5.07 120.40 127.65 1x3c s VAL 64 Ca 0.54 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.62 1x3c s VAL 64 Cb 0.01 -3.29 0.12 0.00 0.00 0.00 0.00 36.38 33.22 1x3c s VAL 64 CO 0.01 0.55 0.18 -0.70 0.00 0.00 0.00 175.10 175.14 1x3c s GLU 65 N -0.42 0.94 0.30 2.72 2.12 -1.26 -5.12 118.70 117.99 1x3c s GLU 65 Ca 0.11 -1.53 -0.18 0.00 0.36 0.00 0.00 54.97 53.72 1x3c s GLU 65 Cb -0.12 -2.03 -0.09 0.00 0.26 0.00 0.00 34.13 32.16 1x3c s GLU 65 CO 0.02 -1.10 0.78 -1.21 -0.54 0.00 0.00 175.26 173.20 1x3c s GLU 66 N 0.96 4.16 -0.29 4.30 2.02 -1.26 -5.02 118.70 123.55 1x3c s GLU 66 Ca 0.15 0.84 -0.28 0.00 0.02 0.00 0.00 54.97 55.70 1x3c s GLU 66 Cb -0.22 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.46 1x3c s GLU 66 CO -0.09 0.22 1.03 -2.00 0.02 0.00 0.00 175.26 174.43 1x3c s GLU 67 N -2.62 4.10 -0.01 1.61 2.12 -1.26 -4.99 118.70 117.65 1x3c s GLU 67 Ca 0.51 1.08 -0.28 0.00 0.36 0.00 0.00 54.97 56.64 1x3c s GLU 67 Cb -0.13 -3.71 0.10 0.00 0.26 0.00 0.00 34.13 30.65 1x3c s GLU 67 CO 0.18 -0.80 0.83 -1.12 -0.54 0.00 0.00 175.26 173.82 1x3c s SER 68 N 1.53 -0.44 -0.24 -1.70 0.01 -1.26 -5.12 113.70 106.49 1x3c s SER 68 Ca 0.43 0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.58 1x3c s SER 68 Cb -0.13 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.49 1x3c s SER 68 CO 0.13 -0.63 1.88 -0.83 0.41 0.00 0.00 173.24 174.20 1x3c s GLY 69 N -2.09 0.88 0.03 3.44 0.00 -1.26 -4.88 107.32 103.44 1x3c s GLY 69 Ca 0.01 0.54 -0.21 0.00 0.00 0.00 0.00 44.72 45.06 1x3c s GLY 69 CO -0.05 3.36 1.33 -0.56 0.00 0.00 0.00 173.10 177.18 1x3c h PRO 70 N 12.71 0.31 -7.32 2.90 0.13 -1.99 -3.45 132.00 135.29 1x3c h PRO 70 Ca -0.37 -0.16 -0.49 0.00 -0.87 0.00 0.00 66.00 64.11 1x3c h PRO 70 Cb 1.19 0.01 0.15 0.00 0.13 0.00 0.00 31.00 32.47 1x3c h PRO 70 CO 1.00 0.70 0.26 0.45 -0.23 0.00 0.00 178.00 180.18 1x3c s SER 71 N -6.06 3.62 -0.32 1.44 0.15 -1.26 -4.99 113.70 106.29 1x3c s SER 71 Ca -0.14 1.64 -0.20 0.00 0.70 0.00 0.00 55.95 57.94 1x3c s SER 71 Cb 0.05 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 1x3c s SER 71 CO 0.74 -2.57 0.63 -0.94 1.20 0.00 0.00 173.24 172.31 1x3c s SER 72 N -3.32 6.48 0.00 5.45 1.04 -1.26 -5.23 113.70 116.86 1x3c s SER 72 Ca 0.63 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.41 1x3c s SER 72 Cb -0.18 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1x3c s SER 72 CO 0.57 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.89