#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 0.01 0.18 1.61 0.01 -1.26 -5.18 113.70 109.07 1x3c s SER 2 Ca 0.00 -0.90 -0.14 0.00 1.31 0.00 0.00 55.95 56.22 1x3c s SER 2 Cb 0.00 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.71 1x3c s SER 2 CO 0.00 -0.94 0.43 -0.55 0.41 0.00 0.00 173.24 172.59 1x3c s SER 3 N -2.98 -0.14 0.00 2.44 0.15 -1.26 -5.18 113.70 106.73 1x3c s SER 3 Ca 0.19 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1x3c s SER 3 Cb 0.03 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1x3c s SER 3 CO 0.02 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.08 1x3c n GLY 4 N -0.29 1.20 3.32 9.45 0.00 -1.26 -5.19 105.19 112.41 1x3c n GLY 4 Ca -0.09 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 1x3c n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3c s SER 5 N 0.00 1.18 -0.10 1.61 0.01 -1.26 -5.18 113.70 109.96 1x3c s SER 5 Ca 0.00 -1.61 -0.33 0.00 1.31 0.00 0.00 55.95 55.32 1x3c s SER 5 Cb 0.00 0.54 0.13 0.00 0.21 0.00 0.00 66.02 66.90 1x3c s SER 5 CO 0.00 -1.07 1.23 -0.44 0.41 0.00 0.00 173.24 173.37 1x3c s SER 6 N -3.29 -0.11 -0.29 2.44 0.01 -1.26 -5.19 113.70 106.02 1x3c s SER 6 Ca 0.38 -0.07 -0.26 0.00 1.31 0.00 0.00 55.95 57.31 1x3c s SER 6 Cb 0.03 0.17 0.17 0.00 0.21 0.00 0.00 66.02 66.60 1x3c s SER 6 CO 0.23 -0.29 1.32 -0.83 0.41 0.00 0.00 173.24 174.08 1x3c s GLY 7 N -2.55 0.19 0.32 3.44 0.00 -1.26 -5.19 107.32 102.27 1x3c s GLY 7 Ca 0.11 3.20 0.03 0.00 0.00 0.00 0.00 44.72 48.06 1x3c s GLY 7 CO -0.04 1.79 0.09 0.50 0.00 0.00 0.00 173.10 175.43 1x3c s ARG 8 N -0.09 1.63 0.31 2.90 3.00 -1.26 -5.17 118.95 120.26 1x3c s ARG 8 Ca 0.06 -1.92 0.09 0.00 0.00 0.00 0.00 55.73 53.97 1x3c s ARG 8 Cb -0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 34.95 34.26 1x3c s ARG 8 CO -0.12 -0.29 0.01 0.15 0.00 0.00 0.00 175.30 175.06 1x3c s LYS 9 N -3.90 2.17 0.11 3.54 1.02 -1.26 -5.15 119.74 116.27 1x3c s LYS 9 Ca 0.35 -1.61 0.10 0.00 0.02 0.00 0.00 55.97 54.82 1x3c s LYS 9 Cb 0.07 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1x3c s LYS 9 CO 0.15 0.22 -0.24 0.15 -0.92 0.00 0.00 175.35 174.70 1x3c s LYS 10 N -3.71 1.32 1.06 1.68 3.01 -1.26 -5.14 119.74 116.70 1x3c s LYS 10 Ca 0.34 -1.23 -0.14 0.00 -1.01 0.00 0.00 55.97 53.92 1x3c s LYS 10 Cb -0.03 -1.68 0.22 0.00 -1.01 0.00 0.00 37.83 35.33 1x3c s LYS 10 CO 0.20 0.40 1.10 -1.25 0.51 0.00 0.00 175.35 176.30 1x3c s PRO 11 N -1.88 -0.11 -0.29 -1.68 0.04 -1.26 -5.09 135.00 124.73 1x3c s PRO 11 Ca 0.10 0.34 -0.18 0.00 0.04 0.00 0.00 61.00 61.30 1x3c s PRO 11 Cb -0.10 -1.69 0.18 0.00 0.04 0.00 0.00 34.50 32.93 1x3c s PRO 11 CO 0.05 -3.05 1.19 0.54 0.04 0.00 0.00 177.00 175.77 1x3c s VAL 12 N -2.97 0.00 -0.14 -0.36 0.11 -1.26 -5.18 120.40 110.60 1x3c s VAL 12 Ca 0.67 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.54 1x3c s VAL 12 Cb -0.16 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1x3c s VAL 12 CO 0.57 0.00 0.47 -0.55 -3.33 0.00 0.00 175.10 172.26 1x3c s SER 13 N 0.87 -0.47 -0.18 3.54 0.15 -1.26 -5.15 113.70 111.21 1x3c s SER 13 Ca -0.05 0.81 -0.04 0.00 0.70 0.00 0.00 55.95 57.38 1x3c s SER 13 Cb -0.03 0.84 0.08 0.00 -1.71 0.00 0.00 66.02 65.20 1x3c s SER 13 CO -0.12 -0.25 0.19 -1.58 1.20 0.00 0.00 173.24 172.68 1x3c s GLN 14 N -0.11 0.14 1.07 5.44 0.74 -1.26 -5.15 119.66 120.54 1x3c s GLN 14 Ca -0.03 0.21 -0.20 0.00 0.05 0.00 0.00 55.36 55.39 1x3c s GLN 14 Cb -0.03 -1.16 0.04 0.00 1.10 0.00 0.00 33.01 32.95 1x3c s GLN 14 CO 0.02 -0.60 -0.35 -1.13 -0.55 0.00 0.00 175.29 172.69 1x3c n SER 15 N 5.31 -2.60 -4.21 6.67 3.41 -1.26 -5.01 113.62 115.94 1x3c n SER 15 Ca -0.06 -0.13 -0.26 0.00 -0.26 0.00 0.00 58.87 58.16 1x3c n SER 15 Cb 0.49 -0.81 -0.15 0.00 -0.26 0.00 0.00 64.21 63.48 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 1.23 2.05 0.32 1.04 1.02 -1.26 -5.02 118.68 118.06 1x3c s LEU 16 Ca 0.48 -0.37 0.09 0.00 0.02 0.00 0.00 54.13 54.35 1x3c s LEU 16 Cb -0.05 -1.01 0.95 0.00 0.02 0.00 0.00 46.19 46.10 1x3c s LEU 16 CO 0.61 0.24 1.61 -0.08 0.02 0.00 0.00 176.35 178.75 1x3c h GLU 17 N 5.60 0.11 -5.66 1.70 4.57 -1.98 -3.35 114.58 115.57 1x3c h GLU 17 Ca -0.39 -0.01 -0.60 0.00 -1.18 0.00 0.00 59.36 57.19 1x3c h GLU 17 Cb 1.14 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.61 1x3c h GLU 17 CO 0.48 0.07 0.32 -0.06 -1.18 0.00 0.00 179.01 178.64 1x3c s PHE 18 N -5.81 3.30 -2.00 0.92 0.08 -1.26 -4.92 117.98 108.30 1x3c s PHE 18 Ca -0.11 0.98 0.10 0.00 0.12 0.00 0.00 56.93 58.02 1x3c s PHE 18 Cb 0.30 -2.94 0.60 0.00 -0.57 0.00 0.00 43.02 40.40 1x3c s PHE 18 CO 0.78 -0.36 1.04 -0.35 -0.10 0.00 0.00 175.22 176.23 1x3c n PRO 19 N 5.83 0.49 -4.17 0.24 -0.04 -1.26 -4.73 135.00 131.36 1x3c n PRO 19 Ca 0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 1x3c n PRO 19 Cb 0.48 -1.32 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.30 -0.25 0.52 -1.32 -1.26 -5.07 115.64 106.56 1x3c s THR 20 Ca 0.15 -1.92 0.12 0.00 -1.21 0.00 0.00 61.69 58.84 1x3c s THR 20 Cb 0.07 -1.99 0.46 0.00 -1.51 0.00 0.00 72.50 69.53 1x3c s THR 20 CO 0.12 -0.55 1.18 -2.11 -2.21 0.00 0.00 174.62 171.05 1x3c n ARG 21 N -0.11 2.57 -3.56 7.08 -4.01 -1.26 -5.05 116.66 112.32 1x3c n ARG 21 Ca -0.07 -3.70 -0.08 0.00 -1.04 0.00 0.00 57.85 52.96 1x3c n ARG 21 Cb 0.63 -1.84 -0.03 0.00 -3.04 0.00 0.00 32.46 28.17 1x3c n ARG 21 CO 0.00 0.00 0.00 1.52 -3.04 0.00 0.00 177.63 176.11 1x3c s TYR 22 N -3.30 -0.27 -0.45 2.89 1.13 -1.26 -5.12 117.35 110.97 1x3c s TYR 22 Ca 0.42 0.31 0.03 0.00 -1.41 0.00 0.00 57.07 56.42 1x3c s TYR 22 Cb 0.38 0.50 0.12 0.00 -1.10 0.00 0.00 41.96 41.86 1x3c s TYR 22 CO -0.01 -0.34 0.20 -1.54 -2.51 0.00 0.00 175.55 171.35 1x3c s SER 23 N -1.80 4.18 0.01 -0.18 1.04 -1.26 -4.97 113.70 110.72 1x3c s SER 23 Ca 0.04 -2.65 -0.23 0.00 0.48 0.00 0.00 55.95 53.59 1x3c s SER 23 Cb -0.01 -1.40 -0.17 0.00 0.10 0.00 0.00 66.02 64.54 1x3c s SER 23 CO -0.04 -0.28 1.30 1.55 0.98 0.00 0.00 173.24 176.75 1x3c h PRO 24 N 6.88 0.18 -6.50 4.02 0.13 -2.03 -3.44 132.00 131.24 1x3c h PRO 24 Ca -0.06 -0.10 -0.53 0.00 -0.87 0.00 0.00 66.00 64.44 1x3c h PRO 24 Cb 0.93 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.08 1x3c h PRO 24 CO 0.58 0.62 0.78 -0.47 -0.23 0.00 0.00 178.00 179.28 1x3c s TYR 25 N -4.27 3.08 -0.56 1.56 6.14 -1.26 -4.98 117.35 117.06 1x3c s TYR 25 Ca -0.15 0.86 0.04 0.00 0.64 0.00 0.00 57.07 58.46 1x3c s TYR 25 Cb 0.03 -3.71 0.14 0.00 0.42 0.00 0.00 41.96 38.85 1x3c s TYR 25 CO 0.71 -2.55 0.31 1.03 0.64 0.00 0.00 175.55 175.70 1x3c s ARG 26 N 1.52 2.03 0.01 4.97 1.81 -1.26 -4.84 118.95 123.20 1x3c s ARG 26 Ca 0.65 -2.74 0.15 0.00 -1.72 0.00 0.00 55.73 52.07 1x3c s ARG 26 Cb -0.36 -3.25 0.63 0.00 -0.45 0.00 0.00 34.95 31.51 1x3c s ARG 26 CO 0.30 -1.16 1.47 -0.35 -0.68 0.00 0.00 175.30 174.88 1x3c n PRO 27 N 2.87 0.01 -4.03 3.54 -0.04 -1.26 -4.50 135.00 131.60 1x3c n PRO 27 Ca 0.09 0.26 -0.31 0.00 -0.04 0.00 0.00 63.50 63.50 1x3c n PRO 27 Cb 0.33 -1.52 -0.16 0.00 -0.04 0.00 0.00 33.50 32.11 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 -3.02 2.58 0.02 0.54 2.02 -1.24 -5.11 117.35 113.14 1x3c s TYR 28 Ca 0.07 -1.69 0.02 0.00 -0.37 0.00 0.00 57.07 55.10 1x3c s TYR 28 Cb 0.09 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.92 1x3c s TYR 28 CO 0.27 -0.77 -0.08 -0.98 -1.57 0.00 0.00 175.55 172.42 1x3c s ARG 29 N 1.34 0.57 0.78 -0.62 3.03 -1.26 -1.55 118.95 121.24 1x3c s ARG 29 Ca -0.01 -0.48 -0.14 0.00 2.03 0.00 0.00 55.73 57.14 1x3c s ARG 29 Cb -0.16 -0.48 0.07 0.00 -1.03 0.00 0.00 34.95 33.35 1x3c s ARG 29 CO -0.09 0.12 1.20 0.00 -1.13 0.00 0.00 175.30 175.40 1x3c n VAL 31 N -3.15 0.49 -1.05 0.00 0.24 -1.26 -4.96 118.33 108.64 1x3c n VAL 31 Ca 0.13 -0.58 -0.36 0.00 -2.04 0.00 0.00 64.34 61.49 1x3c n VAL 31 Cb 0.50 -0.17 0.03 0.00 -1.47 0.00 0.00 33.84 32.74 1x3c n VAL 31 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1x3c n HIS 32 N -2.38 -4.51 -2.89 6.34 -0.00 -1.26 -4.81 115.22 105.71 1x3c n HIS 32 Ca -0.14 0.10 -0.43 0.00 0.46 0.00 0.00 57.72 57.71 1x3c n HIS 32 Cb 0.74 -1.48 -0.03 0.00 -0.12 0.00 0.00 29.99 29.10 1x3c n HIS 32 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1x3c s GLN 33 N -1.69 3.41 0.00 1.57 2.00 -1.26 -3.90 119.66 119.79 1x3c s GLN 33 Ca 0.44 -1.39 0.00 0.00 -2.00 0.00 0.00 55.36 52.41 1x3c s GLN 33 Cb -0.26 -4.68 0.00 0.00 0.80 0.00 0.00 33.01 28.87 1x3c s GLN 33 CO 0.77 -1.80 0.00 0.41 -0.50 0.00 0.00 175.29 174.17 1x3c n GLY 34 N 5.50 1.23 2.78 2.59 0.00 -1.26 -5.08 105.19 110.94 1x3c n GLY 34 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 3.70 2.82 -0.68 0.00 3.72 -1.26 -4.49 117.46 121.27 1x3c n PHE 36 Ca 0.06 -2.85 0.07 0.00 -0.05 0.00 0.00 57.45 54.68 1x3c n PHE 36 Cb 0.36 -2.03 0.19 0.00 -0.94 0.00 0.00 39.48 37.06 1x3c n PHE 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x3c n ALA 37 N 3.35 2.59 -1.57 4.37 0.00 -1.26 -5.04 120.51 122.94 1x3c n ALA 37 Ca 0.53 -1.90 -0.59 0.00 0.00 0.00 0.00 53.44 51.48 1x3c n ALA 37 Cb 0.31 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.15 1x3c n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x3c n ALA 38 N -0.32 -2.48 -2.56 0.00 0.00 -1.26 -4.77 120.51 109.12 1x3c n ALA 38 Ca 0.16 0.55 -0.29 0.00 0.00 0.00 0.00 53.44 53.87 1x3c n ALA 38 Cb 0.67 -1.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 1x3c n ALA 38 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1x3c s PHE 39 N 0.79 2.00 -0.18 0.00 0.08 -0.59 -4.97 117.98 115.10 1x3c s PHE 39 Ca 0.92 -0.82 -0.15 0.00 0.12 0.00 0.00 56.93 57.00 1x3c s PHE 39 Cb -1.22 -1.80 -0.11 0.00 -0.57 0.00 0.00 43.02 39.32 1x3c s PHE 39 CO 0.59 0.00 0.01 2.41 -0.10 0.00 0.00 175.22 178.13 1x3c n THR 40 N -1.41 1.48 -2.91 0.64 -1.04 -1.26 -3.73 114.28 106.05 1x3c n THR 40 Ca -0.08 0.08 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 1x3c n THR 40 Cb 0.66 -2.21 -0.07 0.00 -1.82 0.00 0.00 70.33 66.89 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 -2.31 4.45 0.18 12.58 1.01 -1.26 -4.54 121.20 131.31 1x3c s ILE 41 Ca -0.22 1.38 -0.05 0.00 0.00 0.00 0.00 60.65 61.75 1x3c s ILE 41 Cb 0.04 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 1x3c s ILE 41 CO 0.41 -0.21 1.51 -0.61 0.00 0.00 0.00 174.94 176.04 1x3c h GLN 42 N 2.21 0.66 0.69 2.79 4.15 -1.98 -3.08 115.11 120.56 1x3c h GLN 42 Ca -0.48 -0.39 -0.03 0.00 0.77 0.00 0.00 58.65 58.51 1x3c h GLN 42 Cb 1.18 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.91 1x3c h GLN 42 CO 0.63 1.00 -0.33 0.37 -1.93 0.00 0.00 178.83 178.57 1x3c h GLN 43 N 0.52 -0.90 0.00 1.69 5.75 -2.01 -2.50 115.11 117.67 1x3c h GLN 43 Ca 0.02 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1x3c h GLN 43 Cb 1.04 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.80 1x3c h GLN 43 CO 0.10 -0.57 0.28 -0.91 -2.65 0.00 0.00 178.83 175.08 1x3c h ASN 44 N -1.15 0.00 0.89 -0.69 2.35 -1.98 0.70 115.58 115.71 1x3c h ASN 44 Ca -0.09 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.47 1x3c h ASN 44 Cb 0.74 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 1x3c h ASN 44 CO 0.16 0.00 -1.19 0.25 -1.65 0.00 0.00 177.43 174.99 1x3c h LEU 45 N 0.00 0.00 0.80 1.61 5.85 -1.36 -3.31 115.31 118.91 1x3c h LEU 45 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1x3c h LEU 45 Cb 0.56 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1x3c h LEU 45 CO 0.00 0.70 -0.39 0.40 -0.34 0.00 0.00 178.44 178.82 1x3c h ILE 46 N 0.00 0.06 -0.76 4.05 2.04 0.75 -3.14 117.51 120.51 1x3c h ILE 46 Ca -0.13 -0.18 0.15 0.00 1.00 0.00 0.00 64.86 65.71 1x3c h ILE 46 Cb 1.65 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 37.70 1x3c h ILE 46 CO 0.07 0.01 0.28 -0.07 0.00 0.00 0.00 178.15 178.43 1x3c h LEU 47 N -1.25 0.22 -0.92 1.44 -0.00 -1.73 -1.41 115.31 111.67 1x3c h LEU 47 Ca -0.11 0.12 0.21 0.00 -0.00 0.00 0.00 57.88 58.10 1x3c h LEU 47 Cb 0.84 0.11 -0.17 0.00 -0.00 0.00 0.00 40.66 41.44 1x3c h LEU 47 CO 0.18 0.06 -0.12 1.57 -0.00 0.00 0.00 178.44 180.13 1x3c n HIS 48 N -5.04 0.44 -0.18 1.13 -0.00 -1.19 0.15 115.22 110.53 1x3c n HIS 48 Ca 0.15 1.11 -0.11 0.00 -0.00 0.00 0.00 57.72 58.87 1x3c n HIS 48 Cb 0.44 -1.10 0.01 0.00 -0.00 0.00 0.00 29.99 29.34 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 1.16 0.00 1.57 -1.99 -1.31 0.41 116.97 116.81 1x3c h TYR 49 Ca 0.49 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.96 1x3c h TYR 49 Cb 0.87 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 39.32 1x3c h TYR 49 CO -0.60 1.09 0.00 1.96 -0.00 0.00 0.00 178.16 180.61 1x3c h GLN 50 N 0.91 0.00 0.00 4.88 4.20 0.90 0.66 115.11 126.65 1x3c h GLN 50 Ca 0.13 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.52 1x3c h GLN 50 Cb 0.72 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 1x3c h GLN 50 CO 0.06 0.00 -2.29 0.00 -0.67 0.00 0.00 178.83 175.93 1x3c n ALA 51 N -1.83 1.65 -0.11 3.87 0.00 0.35 -3.50 120.51 120.94 1x3c n ALA 51 Ca 0.03 -1.20 -0.19 0.00 0.00 0.00 0.00 53.44 52.08 1x3c n ALA 51 Cb 0.33 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 1.50 -1.08 0.00 0.31 0.14 -4.59 118.33 111.90 1x3c n VAL 52 Ca -0.28 -0.11 -0.02 0.00 -0.01 0.00 0.00 64.34 63.92 1x3c n VAL 52 Cb 1.08 -2.12 0.29 0.00 -0.91 0.00 0.00 33.84 32.19 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 -4.34 1.94 -3.18 3.52 8.25 0.19 -4.93 115.22 116.66 1x3c n HIS 53 Ca -0.33 -1.16 -0.22 0.00 -0.26 0.00 0.00 57.72 55.75 1x3c n HIS 53 Cb 0.69 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.32 -1.20 -3.78 -0.41 4.76 0.10 -4.78 118.16 112.54 1x3c n LYS 54 Ca 0.35 0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.72 1x3c n LYS 54 Cb 1.23 -3.24 -0.05 0.00 -1.84 0.00 0.00 35.03 31.13 1x3c n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x3c n SER 55 N -1.36 -0.90 -4.79 4.39 2.88 -0.03 -4.81 113.62 109.01 1x3c n SER 55 Ca 0.06 -2.76 -0.29 0.00 -1.33 0.00 0.00 58.87 54.56 1x3c n SER 55 Cb 0.32 1.83 -0.06 0.00 -0.75 0.00 0.00 64.21 65.55 1x3c n SER 55 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1x3c s ASP 56 N -2.94 4.33 0.69 -3.46 1.47 -1.26 0.11 116.67 115.62 1x3c s ASP 56 Ca 0.30 -1.37 -0.16 0.00 1.18 0.00 0.00 52.55 52.50 1x3c s ASP 56 Cb 0.00 0.17 0.02 0.00 -0.34 0.00 0.00 42.92 42.77 1x3c s ASP 56 CO 0.21 -0.82 1.18 -0.76 0.68 0.00 0.00 175.17 175.67 1x3c s LEU 57 N -3.99 3.39 1.21 2.11 1.43 -1.26 -4.97 118.68 116.59 1x3c s LEU 57 Ca 0.25 2.28 -0.19 0.00 -1.03 0.00 0.00 54.13 55.44 1x3c s LEU 57 Cb 0.02 -4.58 0.29 0.00 0.03 0.00 0.00 46.19 41.94 1x3c s LEU 57 CO 0.14 -2.00 1.11 -2.16 0.23 0.00 0.00 176.35 173.67 1x3c s PRO 58 N -3.86 -1.26 -0.15 1.29 0.04 -1.26 -5.10 135.00 124.71 1x3c s PRO 58 Ca 0.73 -0.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 1x3c s PRO 58 Cb -0.27 -1.59 0.13 0.00 0.04 0.00 0.00 34.50 32.80 1x3c s PRO 58 CO 0.42 -3.73 1.00 0.00 0.04 0.00 0.00 177.00 174.73 1x3c s ALA 59 N -3.00 -1.93 0.20 8.56 0.00 -1.26 -5.05 121.76 119.27 1x3c s ALA 59 Ca 0.71 1.52 -0.19 0.00 0.00 0.00 0.00 51.96 54.00 1x3c s ALA 59 Cb -0.10 -0.57 0.16 0.00 0.00 0.00 0.00 23.12 22.62 1x3c s ALA 59 CO 0.56 -0.37 1.58 0.35 0.00 0.00 0.00 175.76 177.88 1x3c h PHE 60 N 2.44 -0.90 -0.81 0.00 3.57 -2.07 -3.42 116.94 115.76 1x3c h PHE 60 Ca -0.18 0.08 -0.63 0.00 3.53 0.00 0.00 57.97 60.77 1x3c h PHE 60 Cb 1.17 0.49 -0.10 0.00 2.79 0.00 0.00 35.95 40.30 1x3c h PHE 60 CO 0.28 -0.38 -0.47 -1.54 -2.23 0.00 0.00 178.31 173.97 1x3c s SER 61 N -5.20 4.27 -0.00 0.41 1.04 -1.26 -5.06 113.70 107.89 1x3c s SER 61 Ca -0.14 -1.42 0.05 0.00 0.48 0.00 0.00 55.95 54.92 1x3c s SER 61 Cb 0.17 0.19 -0.07 0.00 0.10 0.00 0.00 66.02 66.42 1x3c s SER 61 CO 0.70 -0.80 0.13 0.00 0.98 0.00 0.00 173.24 174.25 1x3c n ALA 62 N -1.34 2.31 -0.97 5.32 0.00 -1.26 -4.67 120.51 119.90 1x3c n ALA 62 Ca -0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1x3c n ALA 62 Cb 0.66 -0.16 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.48 1.80 -0.17 0.00 0.00 -1.26 -4.04 120.64 115.50 1x3c n GLU 63 Ca -0.00 -1.27 0.06 0.00 0.00 0.00 0.00 57.16 55.95 1x3c n GLU 63 Cb 0.11 -1.68 0.15 0.00 0.00 0.00 0.00 31.44 30.02 1x3c n GLU 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1x3c n VAL 64 N 1.19 0.83 -1.54 6.31 0.31 -1.26 -4.97 118.33 119.19 1x3c n VAL 64 Ca 0.30 -0.92 -0.40 0.00 -0.01 0.00 0.00 64.34 63.31 1x3c n VAL 64 Cb 0.63 0.63 -0.05 0.00 -0.91 0.00 0.00 33.84 34.14 1x3c n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1x3c n GLU 65 N 0.66 1.20 -4.02 5.55 4.07 -1.26 -4.92 120.64 121.92 1x3c n GLU 65 Ca 0.12 0.18 -0.34 0.00 -0.06 0.00 0.00 57.16 57.06 1x3c n GLU 65 Cb 0.43 -3.08 -0.15 0.00 -0.06 0.00 0.00 31.44 28.57 1x3c n GLU 65 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1x3c s GLU 66 N 7.55 2.87 -0.29 5.31 -1.05 -1.26 -5.07 118.70 126.75 1x3c s GLU 66 Ca 1.04 -0.94 -0.17 0.00 -0.15 0.00 0.00 54.97 54.75 1x3c s GLU 66 Cb -0.41 -2.84 0.18 0.00 -0.44 0.00 0.00 34.13 30.62 1x3c s GLU 66 CO 0.34 -0.34 1.16 -1.83 0.95 0.00 0.00 175.26 175.54 1x3c s GLU 67 N 1.30 0.18 -0.14 -4.83 -1.05 -1.26 -5.09 118.70 107.81 1x3c s GLU 67 Ca 0.01 0.30 -0.10 0.00 -0.15 0.00 0.00 54.97 55.03 1x3c s GLU 67 Cb -0.16 0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.53 1x3c s GLU 67 CO -0.07 -0.04 -0.14 1.03 0.95 0.00 0.00 175.26 176.99 1x3c h SER 68 N 5.37 0.00 -0.96 0.83 0.87 -2.06 -3.51 113.55 114.09 1x3c h SER 68 Ca -0.27 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1x3c h SER 68 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1x3c h SER 68 CO 0.22 0.80 0.00 0.61 -0.53 0.00 0.00 176.83 177.93 1x3c n GLY 69 N 1.61 2.87 1.88 5.77 0.00 -1.26 -5.10 105.19 110.95 1x3c n GLY 69 Ca -0.09 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 1x3c n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x3c n PRO 70 N 0.84 -2.17 -3.21 1.61 -0.04 -1.26 -4.48 135.00 126.28 1x3c n PRO 70 Ca 0.00 -0.94 -0.16 0.00 -0.04 0.00 0.00 63.50 62.36 1x3c n PRO 70 Cb 0.00 -0.88 0.06 0.00 -0.04 0.00 0.00 33.50 32.64 1x3c n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x3c n SER 71 N -4.01 -4.16 -4.56 3.54 2.88 -1.26 -4.89 113.62 101.17 1x3c n SER 71 Ca 0.08 -0.41 -0.30 0.00 -1.33 0.00 0.00 58.87 56.91 1x3c n SER 71 Cb 0.32 -3.83 -0.04 0.00 -0.75 0.00 0.00 64.21 59.90 1x3c n SER 71 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x3c s SER 72 N -3.48 5.14 0.00 -3.46 0.01 -1.26 -5.30 113.70 105.35 1x3c s SER 72 Ca 0.29 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1x3c s SER 72 Cb -0.13 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1x3c s SER 72 CO 0.53 -2.66 0.00 0.61 0.41 0.00 0.00 173.24 172.13