#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 -0.21 -0.13 1.61 0.15 -1.26 -5.06 113.70 108.80 1x3c s SER 2 Ca 0.00 0.44 -0.10 0.00 0.70 0.00 0.00 55.95 56.99 1x3c s SER 2 Cb 0.00 0.35 -0.06 0.00 -1.71 0.00 0.00 66.02 64.60 1x3c s SER 2 CO 0.00 -0.14 -0.23 -0.24 1.20 0.00 0.00 173.24 173.83 1x3c n SER 3 N 3.99 1.46 0.00 5.45 2.88 -1.26 -5.14 113.62 121.00 1x3c n SER 3 Ca -0.23 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1x3c n SER 3 Cb 0.54 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1x3c n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3c n GLY 4 N 2.04 -0.98 3.62 0.46 0.00 -1.26 -5.08 105.19 103.98 1x3c n GLY 4 Ca -0.22 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.44 -0.21 0.12 1.61 0.15 -1.26 -5.19 113.70 106.48 1x3c s SER 5 Ca 0.00 0.26 -0.25 0.00 0.70 0.00 0.00 55.95 56.66 1x3c s SER 5 Cb 0.00 0.22 0.08 0.00 -1.71 0.00 0.00 66.02 64.61 1x3c s SER 5 CO 0.00 -0.16 1.08 -0.94 1.20 0.00 0.00 173.24 174.42 1x3c s SER 6 N -0.83 -0.07 0.23 5.45 1.04 -1.26 -5.20 113.70 113.06 1x3c s SER 6 Ca 0.04 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 55.96 1x3c s SER 6 Cb -0.02 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.53 1x3c s SER 6 CO -0.05 -0.76 0.45 0.61 0.98 0.00 0.00 173.24 174.47 1x3c n GLY 7 N -0.59 1.46 3.54 7.32 0.00 -1.26 -5.17 105.19 110.49 1x3c n GLY 7 Ca -0.05 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 1x3c n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x3c s ARG 8 N -2.08 0.35 -0.30 1.61 6.06 -1.26 -5.14 118.95 118.20 1x3c s ARG 8 Ca 0.10 0.73 -0.14 0.00 -2.50 0.00 0.00 55.73 53.91 1x3c s ARG 8 Cb -0.03 0.27 -0.03 0.00 0.06 0.00 0.00 34.95 35.22 1x3c s ARG 8 CO 0.07 -0.09 0.35 0.21 -2.50 0.00 0.00 175.30 173.33 1x3c s LYS 9 N 1.89 3.86 -0.08 5.12 2.47 -1.26 -5.07 119.74 126.68 1x3c s LYS 9 Ca -0.06 -0.16 0.05 0.00 -1.56 0.00 0.00 55.97 54.24 1x3c s LYS 9 Cb -0.05 -3.71 -0.00 0.00 -1.46 0.00 0.00 37.83 32.61 1x3c s LYS 9 CO -0.16 -0.35 -0.23 0.21 0.16 0.00 0.00 175.35 174.98 1x3c s LYS 10 N 2.02 2.68 1.21 4.03 2.20 -1.26 -5.14 119.74 125.48 1x3c s LYS 10 Ca 0.13 -0.84 -0.20 0.00 -0.36 0.00 0.00 55.97 54.70 1x3c s LYS 10 Cb -0.16 -2.13 0.30 0.00 -1.51 0.00 0.00 37.83 34.33 1x3c s LYS 10 CO 0.11 0.25 1.08 -0.35 -0.36 0.00 0.00 175.35 176.07 1x3c n PRO 11 N 3.30 -3.12 -4.67 4.03 -0.04 -1.26 -5.06 135.00 128.19 1x3c n PRO 11 Ca -0.19 -1.73 -0.34 0.00 -0.04 0.00 0.00 63.50 61.21 1x3c n PRO 11 Cb 0.53 -1.62 -0.12 0.00 -0.04 0.00 0.00 33.50 32.25 1x3c n PRO 11 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x3c s VAL 12 N -2.96 3.54 0.22 0.52 1.01 -1.26 -5.08 120.40 116.39 1x3c s VAL 12 Ca 0.70 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1x3c s VAL 12 Cb -0.07 -2.45 -0.11 0.00 0.00 0.00 0.00 36.38 33.75 1x3c s VAL 12 CO 0.54 0.58 1.61 -0.94 0.00 0.00 0.00 175.10 176.89 1x3c s SER 13 N -0.59 6.48 -0.51 3.32 1.04 -1.26 -4.87 113.70 117.31 1x3c s SER 13 Ca 0.09 2.78 -0.06 0.00 0.48 0.00 0.00 55.95 59.24 1x3c s SER 13 Cb -0.12 -2.61 -0.15 0.00 0.10 0.00 0.00 66.02 63.24 1x3c s SER 13 CO 0.02 -0.88 3.27 0.00 0.98 0.00 0.00 173.24 176.63 1x3c n GLN 14 N 3.33 2.60 -3.62 4.02 10.64 -1.26 -4.85 117.38 128.24 1x3c n GLN 14 Ca 0.12 -1.63 -0.40 0.00 -1.83 0.00 0.00 57.00 53.26 1x3c n GLN 14 Cb 0.37 -2.24 -0.11 0.00 -0.86 0.00 0.00 30.24 27.41 1x3c n GLN 14 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1x3c s SER 15 N 1.67 5.65 0.18 2.61 1.04 -1.26 -5.04 113.70 118.55 1x3c s SER 15 Ca 0.66 -1.14 -0.23 0.00 0.48 0.00 0.00 55.95 55.71 1x3c s SER 15 Cb 0.29 -1.99 0.05 0.00 0.10 0.00 0.00 66.02 64.47 1x3c s SER 15 CO -0.05 -0.42 0.78 -1.48 0.98 0.00 0.00 173.24 173.05 1x3c s LEU 16 N 1.50 -0.31 -0.15 2.42 0.05 -1.26 -5.07 118.68 115.86 1x3c s LEU 16 Ca 0.01 -0.35 -0.01 0.00 0.05 0.00 0.00 54.13 53.83 1x3c s LEU 16 Cb -0.20 2.45 -0.24 0.00 -2.05 0.00 0.00 46.19 46.16 1x3c s LEU 16 CO 0.05 -1.06 0.25 -1.84 -0.55 0.00 0.00 176.35 173.20 1x3c n GLU 17 N -0.42 0.72 -3.64 1.48 0.28 -1.26 -4.98 120.64 112.82 1x3c n GLU 17 Ca -0.08 0.23 -0.06 0.00 -0.16 0.00 0.00 57.16 57.09 1x3c n GLU 17 Cb 0.61 -1.67 -0.07 0.00 1.43 0.00 0.00 31.44 31.75 1x3c n GLU 17 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1x3c s PHE 18 N -2.55 -0.96 -0.75 -1.84 0.08 -1.26 -5.10 117.98 105.59 1x3c s PHE 18 Ca -0.23 1.94 -0.26 0.00 0.12 0.00 0.00 56.93 58.51 1x3c s PHE 18 Cb 0.07 0.57 -0.03 0.00 -0.57 0.00 0.00 43.02 43.06 1x3c s PHE 18 CO 0.74 -0.48 1.91 -1.25 -0.10 0.00 0.00 175.22 176.04 1x3c s PRO 19 N 1.54 2.59 0.03 0.24 0.04 -1.26 -4.68 135.00 133.50 1x3c s PRO 19 Ca -0.09 0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.09 1x3c s PRO 19 Cb -0.05 -4.71 -0.01 0.00 0.04 0.00 0.00 34.50 29.76 1x3c s PRO 19 CO -0.18 -3.05 -0.07 0.25 0.04 0.00 0.00 177.00 173.99 1x3c n THR 20 N 7.54 1.18 -1.76 1.26 -2.24 -1.26 -4.97 114.28 114.03 1x3c n THR 20 Ca 0.30 0.31 -0.02 0.00 -2.27 0.00 0.00 64.05 62.37 1x3c n THR 20 Cb 0.50 -1.72 -0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 -3.64 -1.96 -3.86 -0.78 1.85 -1.26 -4.70 116.66 102.31 1x3c n ARG 21 Ca -0.04 0.09 0.03 0.00 -1.00 0.00 0.00 57.85 56.93 1x3c n ARG 21 Cb 0.16 -4.36 0.01 0.00 -1.05 0.00 0.00 32.46 27.21 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 -1.61 0.00 -0.33 2.89 -0.85 -1.26 -5.13 117.35 111.06 1x3c s TYR 22 Ca 0.00 -0.08 -0.16 0.00 -0.52 0.00 0.00 57.07 56.30 1x3c s TYR 22 Cb 0.00 0.54 -0.01 0.00 0.38 0.00 0.00 41.96 42.87 1x3c s TYR 22 CO 0.00 -0.19 0.43 -1.54 -1.52 0.00 0.00 175.55 172.73 1x3c s SER 23 N -3.56 6.26 0.35 -0.18 1.04 -1.26 -5.07 113.70 111.28 1x3c s SER 23 Ca 0.25 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1x3c s SER 23 Cb 0.02 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1x3c s SER 23 CO -0.03 -0.37 0.00 -0.81 0.98 0.00 0.00 173.24 173.01 1x3c n PRO 24 N 5.53 0.30 -1.49 4.02 -0.04 -1.26 -4.89 135.00 137.17 1x3c n PRO 24 Ca -0.07 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.89 1x3c n PRO 24 Cb 0.49 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.91 1x3c n PRO 24 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1x3c n TYR 25 N -1.21 0.43 -3.56 0.54 9.36 -1.26 -4.89 117.16 116.57 1x3c n TYR 25 Ca 0.00 0.88 -0.41 0.00 3.32 0.00 0.00 57.90 61.69 1x3c n TYR 25 Cb 0.00 -2.11 -0.11 0.00 -0.63 0.00 0.00 39.34 36.49 1x3c n TYR 25 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1x3c s ARG 26 N -0.69 3.02 0.00 2.98 3.00 -1.26 -4.85 118.95 121.14 1x3c s ARG 26 Ca 0.71 -0.96 0.14 0.00 0.00 0.00 0.00 55.73 55.63 1x3c s ARG 26 Cb -0.95 -3.78 0.67 0.00 0.00 0.00 0.00 34.95 30.88 1x3c s ARG 26 CO 0.56 -0.64 1.43 -0.35 0.00 0.00 0.00 175.30 176.30 1x3c n PRO 27 N 5.05 0.10 -4.49 3.54 -0.04 -1.26 -4.58 135.00 133.32 1x3c n PRO 27 Ca -0.12 0.21 -0.33 0.00 -0.04 0.00 0.00 63.50 63.22 1x3c n PRO 27 Cb 0.47 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.80 2.74 -0.13 0.54 2.02 -1.25 -5.10 117.35 113.37 1x3c s TYR 28 Ca 0.10 -1.26 -0.02 0.00 -0.37 0.00 0.00 57.07 55.52 1x3c s TYR 28 Cb 0.10 -1.87 0.04 0.00 -0.40 0.00 0.00 41.96 39.82 1x3c s TYR 28 CO 0.24 -0.59 0.00 1.03 -1.57 0.00 0.00 175.55 174.66 1x3c s ARG 29 N 0.93 0.80 -0.32 -0.62 3.00 -1.26 -3.21 118.95 118.27 1x3c s ARG 29 Ca -0.04 -0.19 -0.42 0.00 0.00 0.00 0.00 55.73 55.08 1x3c s ARG 29 Cb -0.15 -1.57 -0.19 0.00 0.00 0.00 0.00 34.95 33.05 1x3c s ARG 29 CO -0.03 -0.44 1.35 0.00 0.00 0.00 0.00 175.30 176.18 1x3c h VAL 31 N 4.12 1.22 -1.28 0.00 -1.51 -1.93 -3.44 116.25 113.44 1x3c h VAL 31 Ca -0.44 -0.59 -0.78 0.00 -1.23 0.00 0.00 66.70 63.66 1x3c h VAL 31 Cb 1.32 0.36 0.03 0.00 -2.13 0.00 0.00 31.29 30.87 1x3c h VAL 31 CO 0.83 0.25 0.57 1.41 -1.23 0.00 0.00 177.57 179.40 1x3c n HIS 32 N -4.48 1.56 -0.17 5.19 8.25 -1.26 -4.83 115.22 119.48 1x3c n HIS 32 Ca 0.05 0.86 -0.04 0.00 -0.26 0.00 0.00 57.72 58.33 1x3c n HIS 32 Cb 0.11 -2.28 0.05 0.00 1.12 0.00 0.00 29.99 28.99 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 5.12 0.50 -2.91 -0.41 -0.00 -2.01 -3.06 115.11 112.34 1x3c h GLN 33 Ca -0.47 -0.03 -0.71 0.00 -0.00 0.00 0.00 58.65 57.44 1x3c h GLN 33 Cb 1.36 -0.11 -0.06 0.00 0.00 0.00 0.00 27.48 28.66 1x3c h GLN 33 CO 0.87 0.33 2.97 0.41 0.00 0.00 0.00 178.83 183.41 1x3c n GLY 34 N -1.25 4.78 3.34 2.39 0.00 -1.26 -4.76 105.19 108.43 1x3c n GLY 34 Ca 0.04 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.26 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 5.26 3.09 -4.44 0.00 3.72 -1.26 -4.76 117.46 119.07 1x3c n PHE 36 Ca -0.07 -2.56 -0.34 0.00 -0.05 0.00 0.00 57.45 54.42 1x3c n PHE 36 Cb 0.52 -0.99 -0.10 0.00 -0.94 0.00 0.00 39.48 37.97 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 -3.93 3.20 -0.19 4.37 0.00 -1.26 -5.07 121.76 118.88 1x3c s ALA 37 Ca 0.53 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 1x3c s ALA 37 Cb 0.44 -1.40 0.06 0.00 0.00 0.00 0.00 23.12 22.22 1x3c s ALA 37 CO -0.31 0.59 0.47 0.00 0.00 0.00 0.00 175.76 176.51 1x3c s ALA 38 N -0.88 -1.21 0.14 0.00 0.00 -1.26 -2.46 121.76 116.09 1x3c s ALA 38 Ca 0.13 1.59 0.10 0.00 0.00 0.00 0.00 51.96 53.79 1x3c s ALA 38 Cb -0.11 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1x3c s ALA 38 CO 0.03 -0.27 -0.23 -0.06 0.00 0.00 0.00 175.76 175.22 1x3c s PHE 39 N 1.04 2.10 -0.07 0.00 0.40 -1.20 -5.01 117.98 115.25 1x3c s PHE 39 Ca -0.06 -0.40 -0.25 0.00 -0.60 0.00 0.00 56.93 55.62 1x3c s PHE 39 Cb -0.06 -1.10 -0.25 0.00 0.51 0.00 0.00 43.02 42.11 1x3c s PHE 39 CO -0.09 0.34 0.96 1.15 0.70 0.00 0.00 175.22 178.28 1x3c h THR 40 N 3.68 1.59 -3.62 0.64 2.02 -1.89 -3.31 112.91 112.03 1x3c h THR 40 Ca -0.47 -2.12 -0.51 0.00 0.77 0.00 0.00 66.41 64.08 1x3c h THR 40 Cb 1.19 2.96 -0.03 0.00 -1.74 0.00 0.00 68.15 70.53 1x3c h THR 40 CO 0.43 0.58 0.12 -0.63 0.37 0.00 0.00 175.52 176.39 1x3c s ILE 41 N -2.84 4.56 0.20 3.11 1.01 -1.26 -4.64 121.20 121.35 1x3c s ILE 41 Ca -0.16 1.26 -0.08 0.00 0.00 0.00 0.00 60.65 61.67 1x3c s ILE 41 Cb 0.00 -3.82 0.11 0.00 0.01 0.00 0.00 42.46 38.76 1x3c s ILE 41 CO 0.75 0.13 1.71 -0.61 0.00 0.00 0.00 174.94 176.92 1x3c h GLN 42 N 3.20 1.12 0.54 2.79 4.15 -1.99 -2.82 115.11 122.09 1x3c h GLN 42 Ca -0.48 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 58.63 1x3c h GLN 42 Cb 1.19 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 28.75 1x3c h GLN 42 CO 0.65 1.00 -0.26 0.37 -1.93 0.00 0.00 178.83 178.66 1x3c h GLN 43 N 1.05 -0.70 0.00 1.69 5.75 -1.99 -2.31 115.11 118.60 1x3c h GLN 43 Ca 0.21 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1x3c h GLN 43 Cb 0.41 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1x3c h GLN 43 CO 0.01 -0.41 0.24 -0.91 -2.65 0.00 0.00 178.83 175.12 1x3c h ASN 44 N -0.89 0.00 1.12 -0.69 2.35 -1.97 0.63 115.58 116.13 1x3c h ASN 44 Ca -0.07 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 1x3c h ASN 44 Cb 0.62 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1x3c h ASN 44 CO 0.12 0.00 -0.93 0.25 -1.65 0.00 0.00 177.43 175.22 1x3c h LEU 45 N 0.00 0.00 0.54 1.61 5.85 -1.16 -3.34 115.31 118.81 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 0.49 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.52 1x3c h LEU 45 CO 0.00 0.41 -0.26 0.40 -0.34 0.00 0.00 178.44 178.65 1x3c h ILE 46 N 0.00 0.00 -1.08 4.05 2.04 0.57 -3.15 117.51 119.94 1x3c h ILE 46 Ca -0.07 -0.25 0.32 0.00 1.00 0.00 0.00 64.86 65.86 1x3c h ILE 46 Cb 1.37 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.33 1x3c h ILE 46 CO 0.04 0.00 0.66 -0.07 0.00 0.00 0.00 178.15 178.78 1x3c h LEU 47 N -0.97 0.46 -0.64 1.44 -0.00 -1.73 0.15 115.31 114.02 1x3c h LEU 47 Ca -0.07 0.14 0.13 0.00 -0.00 0.00 0.00 57.88 58.08 1x3c h LEU 47 Cb 0.56 0.08 -0.11 0.00 -0.00 0.00 0.00 40.66 41.19 1x3c h LEU 47 CO 0.12 -0.05 -0.01 -0.74 -0.00 0.00 0.00 178.44 177.77 1x3c h HIS 48 N 0.33 -0.06 0.00 1.13 -0.00 -1.66 2.08 115.15 116.96 1x3c h HIS 48 Ca 0.70 0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 61.06 1x3c h HIS 48 Cb 1.76 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 29.29 1x3c h HIS 48 CO -0.01 -0.18 -0.24 1.88 -0.00 0.00 0.00 177.93 179.38 1x3c h TYR 49 N 0.11 0.00 0.00 5.26 0.05 -0.74 0.48 116.97 122.13 1x3c h TYR 49 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.11 1x3c h TYR 49 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1x3c h TYR 49 CO -0.38 0.24 -0.90 1.04 -1.05 0.00 0.00 178.16 177.10 1x3c n GLN 50 N -3.63 0.25 -0.08 4.88 6.02 0.14 -0.15 117.38 124.81 1x3c n GLN 50 Ca -0.01 0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 1x3c n GLN 50 Cb 0.37 -1.60 -0.15 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.78 1.72 -0.11 -1.58 0.00 0.66 -3.37 120.51 116.05 1x3c n ALA 51 Ca 0.03 -1.14 -0.17 0.00 0.00 0.00 0.00 53.44 52.15 1x3c n ALA 51 Cb 0.42 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.63 1.50 -0.41 0.00 0.31 0.16 -4.58 118.33 112.69 1x3c n VAL 52 Ca -0.27 -0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.10 1x3c n VAL 52 Cb 1.03 -2.16 0.25 0.00 -0.91 0.00 0.00 33.84 32.05 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 -4.41 0.87 -3.70 3.52 8.25 -0.99 -4.97 115.22 113.78 1x3c n HIS 53 Ca -0.29 -0.56 -0.22 0.00 -0.26 0.00 0.00 57.72 56.39 1x3c n HIS 53 Cb 0.63 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.60 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 0.85 -0.86 -3.02 -0.41 5.02 0.32 -4.84 118.16 115.22 1x3c n LYS 54 Ca 0.19 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.40 1x3c n LYS 54 Cb 0.62 -1.95 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 1x3c n LYS 54 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x3c n SER 55 N -1.50 -1.09 -4.92 4.39 3.41 0.79 -4.88 113.62 109.83 1x3c n SER 55 Ca -0.17 -2.17 -0.22 0.00 -0.26 0.00 0.00 58.87 56.05 1x3c n SER 55 Cb 0.41 1.93 0.05 0.00 -0.26 0.00 0.00 64.21 66.35 1x3c n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x3c s ASP 56 N -2.39 5.04 0.22 4.04 2.15 -1.26 -3.19 116.67 121.28 1x3c s ASP 56 Ca 0.16 0.01 0.11 0.00 0.43 0.00 0.00 52.55 53.26 1x3c s ASP 56 Cb -0.01 -0.77 -0.05 0.00 -0.30 0.00 0.00 42.92 41.79 1x3c s ASP 56 CO 0.12 -1.34 -0.23 -1.48 -0.17 0.00 0.00 175.17 172.07 1x3c s LEU 57 N -4.91 2.48 0.91 -1.34 0.05 -1.26 -4.99 118.68 109.61 1x3c s LEU 57 Ca 0.59 -0.91 -0.12 0.00 0.05 0.00 0.00 54.13 53.75 1x3c s LEU 57 Cb -0.10 -1.14 0.14 0.00 -2.05 0.00 0.00 46.19 43.04 1x3c s LEU 57 CO 0.40 0.09 1.09 -2.16 -0.55 0.00 0.00 176.35 175.23 1x3c s PRO 58 N -2.90 1.15 -0.07 1.48 0.04 -1.26 -5.07 135.00 128.37 1x3c s PRO 58 Ca 0.23 0.79 -0.32 0.00 0.04 0.00 0.00 61.00 61.74 1x3c s PRO 58 Cb -0.07 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.80 1x3c s PRO 58 CO 0.11 -2.30 1.25 0.00 0.04 0.00 0.00 177.00 176.10 1x3c s ALA 59 N -2.94 -2.17 0.05 8.56 0.00 -1.26 -5.17 121.76 118.83 1x3c s ALA 59 Ca 0.64 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.63 1x3c s ALA 59 Cb -0.18 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1x3c s ALA 59 CO 0.57 -0.89 -0.11 -0.59 0.00 0.00 0.00 175.76 174.74 1x3c s PHE 60 N -2.44 0.92 -1.23 0.00 -0.12 -1.26 -4.84 117.98 109.00 1x3c s PHE 60 Ca 0.12 -0.43 -0.01 0.00 -0.05 0.00 0.00 56.93 56.57 1x3c s PHE 60 Cb 0.03 -0.54 0.00 0.00 -0.63 0.00 0.00 43.02 41.88 1x3c s PHE 60 CO -0.04 -0.01 0.01 0.45 -0.05 0.00 0.00 175.22 175.58 1x3c n SER 61 N 1.61 0.69 -0.38 1.98 2.88 -1.26 -4.78 113.62 114.36 1x3c n SER 61 Ca -0.21 -1.02 0.04 0.00 -1.33 0.00 0.00 58.87 56.35 1x3c n SER 61 Cb 0.55 -1.27 0.06 0.00 -0.75 0.00 0.00 64.21 62.79 1x3c n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x3c n ALA 62 N -3.88 2.39 -0.65 -1.46 0.00 -1.26 -4.66 120.51 111.00 1x3c n ALA 62 Ca -0.26 -0.71 -0.06 0.00 0.00 0.00 0.00 53.44 52.41 1x3c n ALA 62 Cb 0.56 -0.30 0.01 0.00 0.00 0.00 0.00 19.45 19.71 1x3c n ALA 62 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x3c n GLU 63 N 0.43 1.29 -1.47 0.00 0.28 -1.26 -4.32 120.64 115.60 1x3c n GLU 63 Ca 0.06 -0.54 -0.29 0.00 -0.16 0.00 0.00 57.16 56.23 1x3c n GLU 63 Cb 0.26 -1.23 0.08 0.00 1.43 0.00 0.00 31.44 31.98 1x3c n GLU 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1x3c n VAL 64 N 1.15 3.23 -1.23 3.84 0.31 -1.26 -5.01 118.33 119.36 1x3c n VAL 64 Ca 0.11 -3.18 -0.34 0.00 -0.01 0.00 0.00 64.34 60.91 1x3c n VAL 64 Cb 0.53 -1.04 -0.12 0.00 -0.91 0.00 0.00 33.84 32.30 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 -0.90 0.00 -4.19 5.55 2.13 -1.26 -4.85 120.64 117.12 1x3c n GLU 65 Ca 0.55 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.26 1x3c n GLU 65 Cb 0.85 -1.24 -0.10 0.00 0.27 0.00 0.00 31.44 31.22 1x3c n GLU 65 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1x3c s GLU 66 N 7.36 0.96 -0.14 5.31 0.41 -1.26 -5.15 118.70 126.20 1x3c s GLU 66 Ca 1.12 -1.44 -0.11 0.00 -0.41 0.00 0.00 54.97 54.12 1x3c s GLU 66 Cb -1.04 -0.05 -0.05 0.00 -1.78 0.00 0.00 34.13 31.21 1x3c s GLU 66 CO 0.41 -0.15 0.23 -2.00 -0.49 0.00 0.00 175.26 173.25 1x3c s GLU 67 N -3.95 3.97 -0.94 1.61 -6.30 -1.26 -4.33 118.70 107.50 1x3c s GLU 67 Ca 0.21 0.01 -0.03 0.00 -2.50 0.00 0.00 54.97 52.65 1x3c s GLU 67 Cb 0.07 -3.33 0.00 0.00 0.00 0.00 0.00 34.13 30.87 1x3c s GLU 67 CO 0.01 0.46 0.80 0.45 0.02 0.00 0.00 175.26 177.00 1x3c n SER 68 N 2.88 -3.50 0.00 -1.70 2.88 -1.26 -5.03 113.62 107.90 1x3c n SER 68 Ca -0.15 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.96 1x3c n SER 68 Cb 0.53 -3.88 0.00 0.00 -0.75 0.00 0.00 64.21 60.11 1x3c n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3c n GLY 69 N -1.33 -0.76 0.00 0.46 0.00 -1.26 -5.03 105.19 97.26 1x3c n GLY 69 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -0.03 -3.56 1.61 -0.04 -1.26 -4.55 135.00 127.17 1x3c n PRO 70 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1x3c n PRO 70 Cb 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.53 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 -1.53 -3.02 0.04 3.54 2.88 -1.26 -4.93 113.62 109.34 1x3c n SER 71 Ca 0.00 -0.65 -0.19 0.00 -1.33 0.00 0.00 58.87 56.69 1x3c n SER 71 Cb 0.00 -4.81 -0.13 0.00 -0.75 0.00 0.00 64.21 58.52 1x3c n SER 71 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x3c h SER 72 N -2.09 0.53 0.00 -3.46 0.87 -1.96 -3.53 113.55 103.91 1x3c h SER 72 Ca -0.59 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.10 1x3c h SER 72 Cb 1.35 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x3c h SER 72 CO 0.54 1.35 0.00 0.61 -0.53 0.00 0.00 176.83 178.79