#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 -0.31 0.06 1.61 0.01 -1.26 -5.19 113.70 108.62 1x3c s SER 2 Ca 0.00 0.46 -0.26 0.00 1.31 0.00 0.00 55.95 57.46 1x3c s SER 2 Cb 0.00 0.42 0.09 0.00 0.21 0.00 0.00 66.02 66.74 1x3c s SER 2 CO 0.00 -0.20 0.75 -0.55 0.41 0.00 0.00 173.24 173.65 1x3c s SER 3 N -0.52 -0.48 0.00 2.44 0.15 -1.26 -5.18 113.70 108.85 1x3c s SER 3 Ca 0.02 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1x3c s SER 3 Cb -0.03 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1x3c s SER 3 CO -0.04 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.24 1x3c n GLY 4 N -0.15 4.55 3.85 9.45 0.00 -1.26 -5.19 105.19 116.44 1x3c n GLY 4 Ca -0.13 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.22 0.24 1.61 1.04 -1.26 -5.19 113.70 109.92 1x3c s SER 5 Ca 0.00 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.78 1x3c s SER 5 Cb 0.00 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 1x3c s SER 5 CO 0.00 -1.36 0.20 -0.55 0.98 0.00 0.00 173.24 172.52 1x3c s SER 6 N -2.94 0.60 -0.34 7.02 0.15 -1.26 -5.09 113.70 111.84 1x3c s SER 6 Ca 0.12 -1.48 0.14 0.00 0.70 0.00 0.00 55.95 55.43 1x3c s SER 6 Cb -0.06 0.45 0.46 0.00 -1.71 0.00 0.00 66.02 65.16 1x3c s SER 6 CO 0.07 -0.94 1.06 0.61 1.20 0.00 0.00 173.24 175.24 1x3c n GLY 7 N -0.39 3.54 2.97 9.45 0.00 -1.26 -5.00 105.19 114.50 1x3c n GLY 7 Ca 0.03 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 1x3c n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3c s ARG 8 N -3.44 1.66 0.04 1.61 0.52 -1.26 -5.09 118.95 113.00 1x3c s ARG 8 Ca 0.36 -2.18 0.04 0.00 -0.52 0.00 0.00 55.73 53.43 1x3c s ARG 8 Cb 0.41 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 1x3c s ARG 8 CO -0.04 -1.03 -0.11 0.21 0.02 0.00 0.00 175.30 174.36 1x3c s LYS 9 N 0.38 0.69 -0.29 3.54 2.47 -1.26 -5.14 119.74 120.12 1x3c s LYS 9 Ca 0.14 -0.74 -0.15 0.00 -1.56 0.00 0.00 55.97 53.65 1x3c s LYS 9 Cb -0.22 -0.60 0.14 0.00 -1.46 0.00 0.00 37.83 35.69 1x3c s LYS 9 CO -0.05 0.13 0.90 0.21 0.16 0.00 0.00 175.35 176.70 1x3c s LYS 10 N -1.35 0.42 -0.45 4.03 2.36 -1.26 -5.12 119.74 118.37 1x3c s LYS 10 Ca -0.04 0.86 -0.28 0.00 -2.55 0.00 0.00 55.97 53.97 1x3c s LYS 10 Cb -0.09 0.30 -0.02 0.00 -1.05 0.00 0.00 37.83 36.98 1x3c s LYS 10 CO 0.01 -0.11 1.76 -1.25 1.55 0.00 0.00 175.35 177.31 1x3c s PRO 11 N 1.92 3.10 -0.45 4.03 0.04 -1.26 -4.95 135.00 137.44 1x3c s PRO 11 Ca -0.07 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 1x3c s PRO 11 Cb -0.06 -4.25 0.01 0.00 0.04 0.00 0.00 34.50 30.25 1x3c s PRO 11 CO -0.17 -2.15 1.43 0.08 0.04 0.00 0.00 177.00 176.23 1x3c s VAL 12 N 7.51 3.86 0.03 -0.36 1.01 -1.26 -4.99 120.40 126.21 1x3c s VAL 12 Ca 0.72 0.85 0.02 0.00 0.00 0.00 0.00 61.98 63.57 1x3c s VAL 12 Cb -0.17 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1x3c s VAL 12 CO 0.28 -0.84 -0.08 -0.44 0.00 0.00 0.00 175.10 174.03 1x3c s SER 13 N 4.16 0.88 -0.17 3.32 0.01 -1.26 -5.05 113.70 115.58 1x3c s SER 13 Ca 0.60 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1x3c s SER 13 Cb -0.13 -0.01 -0.11 0.00 0.21 0.00 0.00 66.02 65.98 1x3c s SER 13 CO 0.31 -0.10 -0.16 0.00 0.41 0.00 0.00 173.24 173.71 1x3c n GLN 14 N 1.95 0.42 -2.16 12.44 10.64 -1.26 -4.96 117.38 134.44 1x3c n GLN 14 Ca -0.19 0.10 -0.42 0.00 -1.83 0.00 0.00 57.00 54.66 1x3c n GLN 14 Cb 0.56 -1.32 -0.03 0.00 -0.86 0.00 0.00 30.24 28.59 1x3c n GLN 14 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1x3c s SER 15 N -5.71 6.79 0.00 2.61 0.01 -1.26 -5.01 113.70 111.14 1x3c s SER 15 Ca -0.23 2.17 0.05 0.00 1.31 0.00 0.00 55.95 59.25 1x3c s SER 15 Cb 0.06 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 1x3c s SER 15 CO 0.38 -0.77 -0.15 -1.48 0.41 0.00 0.00 173.24 171.64 1x3c s LEU 16 N 2.63 2.06 0.16 2.44 2.34 -1.26 -5.04 118.68 122.01 1x3c s LEU 16 Ca 0.66 -0.31 -0.14 0.00 0.06 0.00 0.00 54.13 54.40 1x3c s LEU 16 Cb -0.33 -0.72 0.14 0.00 -0.56 0.00 0.00 46.19 44.72 1x3c s LEU 16 CO 0.27 0.15 1.10 -0.62 -1.06 0.00 0.00 176.35 176.19 1x3c n GLU 17 N 2.53 -0.19 -1.89 1.48 1.02 -1.26 -4.34 120.64 117.98 1x3c n GLU 17 Ca -0.15 1.09 -0.35 0.00 -0.02 0.00 0.00 57.16 57.73 1x3c n GLU 17 Cb 0.55 -1.62 0.04 0.00 -0.02 0.00 0.00 31.44 30.39 1x3c n GLU 17 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1x3c s PHE 18 N -5.62 2.39 -0.02 -0.32 0.08 -1.26 -4.97 117.98 108.25 1x3c s PHE 18 Ca -0.10 1.54 -0.25 0.00 0.12 0.00 0.00 56.93 58.24 1x3c s PHE 18 Cb 0.13 -3.41 -0.20 0.00 -0.57 0.00 0.00 43.02 38.98 1x3c s PHE 18 CO 0.50 -2.13 1.23 -1.00 -0.10 0.00 0.00 175.22 173.71 1x3c h PRO 19 N 0.55 -0.05 -3.20 0.24 0.13 -2.04 -3.48 132.00 124.15 1x3c h PRO 19 Ca -0.49 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1x3c h PRO 19 Cb 1.28 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1x3c h PRO 19 CO 0.54 0.42 0.12 0.95 -0.23 0.00 0.00 178.00 179.81 1x3c s THR 20 N -4.20 0.00 -0.07 1.56 -4.23 -1.26 -5.00 115.64 102.44 1x3c s THR 20 Ca -0.16 -1.13 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1x3c s THR 20 Cb 0.02 -2.07 -0.07 0.00 1.34 0.00 0.00 72.50 71.71 1x3c s THR 20 CO 0.65 0.00 -0.02 0.54 -0.54 0.00 0.00 174.62 175.25 1x3c n ARG 21 N -0.44 1.79 -3.58 3.99 1.74 -1.26 -4.88 116.66 114.02 1x3c n ARG 21 Ca -0.03 0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 1x3c n ARG 21 Cb 0.60 -1.16 -0.11 0.00 -1.02 0.00 0.00 32.46 30.77 1x3c n ARG 21 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1x3c s TYR 22 N -2.15 1.80 -0.57 -1.55 1.13 -1.26 -5.06 117.35 109.69 1x3c s TYR 22 Ca -0.06 -2.52 -0.11 0.00 -1.41 0.00 0.00 57.07 52.97 1x3c s TYR 22 Cb 0.02 -1.52 -0.16 0.00 -1.10 0.00 0.00 41.96 39.21 1x3c s TYR 22 CO 0.22 -0.75 1.38 0.43 -2.51 0.00 0.00 175.55 174.32 1x3c n SER 23 N 2.88 -0.35 0.09 -0.18 7.64 -1.26 -4.67 113.62 117.77 1x3c n SER 23 Ca 0.22 -0.11 0.10 0.00 1.01 0.00 0.00 58.87 60.09 1x3c n SER 23 Cb 0.41 -0.41 0.43 0.00 -1.01 0.00 0.00 64.21 63.63 1x3c n SER 23 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1x3c n PRO 24 N 3.98 0.13 -1.77 1.43 -0.04 -1.26 -4.64 135.00 132.82 1x3c n PRO 24 Ca 0.38 0.37 -0.30 0.00 -0.04 0.00 0.00 63.50 63.91 1x3c n PRO 24 Cb 0.05 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 1x3c n PRO 24 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1x3c s TYR 25 N -3.21 1.36 -0.57 0.54 6.14 -1.26 -4.90 117.35 115.45 1x3c s TYR 25 Ca 0.05 1.29 -0.04 0.00 0.64 0.00 0.00 57.07 59.01 1x3c s TYR 25 Cb 0.09 -3.76 0.15 0.00 0.42 0.00 0.00 41.96 38.85 1x3c s TYR 25 CO 0.34 -2.14 0.39 1.03 0.64 0.00 0.00 175.55 175.81 1x3c s ARG 26 N 7.86 2.48 0.32 4.97 1.81 -1.26 -4.82 118.95 130.31 1x3c s ARG 26 Ca 0.84 -2.27 0.26 0.00 -1.72 0.00 0.00 55.73 52.84 1x3c s ARG 26 Cb -0.13 -3.76 1.08 0.00 -0.45 0.00 0.00 34.95 31.69 1x3c s ARG 26 CO 0.16 -1.16 1.77 -1.00 -0.68 0.00 0.00 175.30 174.40 1x3c h PRO 27 N 7.48 0.00 -4.91 3.54 0.13 -1.83 -3.41 132.00 133.00 1x3c h PRO 27 Ca -0.06 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.40 1x3c h PRO 27 Cb 0.99 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.80 1x3c h PRO 27 CO 0.73 0.00 -0.75 0.71 -0.23 0.00 0.00 178.00 178.46 1x3c s TYR 28 N -3.40 3.06 -0.03 1.56 2.02 -1.23 -5.09 117.35 114.25 1x3c s TYR 28 Ca 0.03 -1.56 0.01 0.00 -0.37 0.00 0.00 57.07 55.19 1x3c s TYR 28 Cb 0.09 -2.05 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 1x3c s TYR 28 CO 0.42 -0.73 -0.05 -0.98 -1.57 0.00 0.00 175.55 172.64 1x3c s ARG 29 N 1.32 0.66 0.67 -0.62 1.70 -1.26 -1.07 118.95 120.35 1x3c s ARG 29 Ca 0.00 -0.13 -0.17 0.00 -0.47 0.00 0.00 55.73 54.96 1x3c s ARG 29 Cb -0.17 -0.67 -0.05 0.00 -0.57 0.00 0.00 34.95 33.49 1x3c s ARG 29 CO -0.05 -0.01 0.53 0.00 -1.08 0.00 0.00 175.30 174.70 1x3c n VAL 31 N -2.15 0.00 -1.33 0.00 0.24 -1.26 -4.86 118.33 108.98 1x3c n VAL 31 Ca 0.11 -0.36 -0.33 0.00 -2.04 0.00 0.00 64.34 61.71 1x3c n VAL 31 Cb 0.49 1.06 0.10 0.00 -1.47 0.00 0.00 33.84 34.02 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 -1.49 2.12 -1.09 6.34 3.76 -1.26 -4.94 115.29 118.73 1x3c s HIS 32 Ca 0.06 1.63 -0.14 0.00 -0.15 0.00 0.00 55.06 56.45 1x3c s HIS 32 Cb 0.07 -3.35 0.18 0.00 1.11 0.00 0.00 32.58 30.59 1x3c s HIS 32 CO 0.28 -2.40 1.25 -1.14 -0.85 0.00 0.00 174.74 171.88 1x3c s GLN 33 N -4.20 3.95 0.00 1.40 0.74 -1.26 -4.09 119.66 116.20 1x3c s GLN 33 Ca 0.70 -2.48 0.00 0.00 0.05 0.00 0.00 55.36 53.63 1x3c s GLN 33 Cb -0.25 -4.89 0.00 0.00 1.10 0.00 0.00 33.01 28.97 1x3c s GLN 33 CO 0.48 -1.64 0.00 0.41 -0.55 0.00 0.00 175.29 173.99 1x3c n GLY 34 N 4.19 0.44 1.41 2.59 0.00 -1.26 -5.08 105.19 107.49 1x3c n GLY 34 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.27 -1.65 -3.76 0.00 3.72 -1.26 -4.94 117.46 106.31 1x3c n PHE 36 Ca 0.00 0.30 -0.38 0.00 -0.05 0.00 0.00 57.45 57.33 1x3c n PHE 36 Cb 0.10 -3.56 -0.12 0.00 -0.94 0.00 0.00 39.48 34.96 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 -2.95 3.04 -0.18 4.37 0.00 -1.26 -5.01 121.76 119.77 1x3c s ALA 37 Ca 0.21 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1x3c s ALA 37 Cb -0.10 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.78 1x3c s ALA 37 CO 0.26 -1.29 -0.17 0.00 0.00 0.00 0.00 175.76 174.57 1x3c s ALA 38 N 1.41 2.43 0.48 0.00 0.00 -1.26 -1.86 121.76 122.95 1x3c s ALA 38 Ca -0.01 -1.17 0.09 0.00 0.00 0.00 0.00 51.96 50.86 1x3c s ALA 38 Cb -0.19 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.71 1x3c s ALA 38 CO 0.03 -0.28 0.65 -0.06 0.00 0.00 0.00 175.76 176.09 1x3c s PHE 39 N 1.20 2.29 -0.24 0.00 0.40 -0.23 -4.96 117.98 116.44 1x3c s PHE 39 Ca 0.02 -0.52 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 1x3c s PHE 39 Cb -0.14 -2.31 -0.16 0.00 0.51 0.00 0.00 43.02 40.92 1x3c s PHE 39 CO -0.08 -0.69 -0.12 2.41 0.70 0.00 0.00 175.22 177.44 1x3c n THR 40 N -1.99 1.55 -3.22 0.64 -1.04 -1.26 -3.51 114.28 105.45 1x3c n THR 40 Ca 0.11 -0.38 -0.38 0.00 -2.04 0.00 0.00 64.05 61.36 1x3c n THR 40 Cb 0.60 -1.79 -0.06 0.00 -1.82 0.00 0.00 70.33 67.26 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 -2.49 4.68 0.34 12.58 1.01 -1.26 -4.66 121.20 131.41 1x3c s ILE 41 Ca -0.34 1.23 0.03 0.00 0.00 0.00 0.00 60.65 61.57 1x3c s ILE 41 Cb 0.11 -3.90 0.20 0.00 0.01 0.00 0.00 42.46 38.88 1x3c s ILE 41 CO 0.57 0.45 1.93 -0.61 0.00 0.00 0.00 174.94 177.27 1x3c h GLN 42 N 4.17 0.67 0.33 2.79 4.15 -1.99 -2.81 115.11 122.43 1x3c h GLN 42 Ca -0.49 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 58.82 1x3c h GLN 42 Cb 1.21 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1x3c h GLN 42 CO 0.64 0.56 -0.16 0.37 -1.93 0.00 0.00 178.83 178.31 1x3c h GLN 43 N 0.66 -0.43 0.00 1.69 5.75 -2.01 -2.82 115.11 117.95 1x3c h GLN 43 Ca 0.16 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1x3c h GLN 43 Cb 0.15 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.80 1x3c h GLN 43 CO -0.01 -0.11 0.31 -0.91 -2.65 0.00 0.00 178.83 175.45 1x3c h ASN 44 N -0.85 0.00 0.98 -0.69 2.35 -1.95 0.69 115.58 116.12 1x3c h ASN 44 Ca -0.05 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.53 1x3c h ASN 44 Cb 0.53 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 1x3c h ASN 44 CO 0.08 0.00 -1.09 0.25 -1.65 0.00 0.00 177.43 175.02 1x3c h LEU 45 N 0.00 0.00 0.71 1.61 5.85 -1.25 -3.33 115.31 118.89 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 0.61 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.65 1x3c h LEU 45 CO 0.00 0.71 -0.34 0.40 -0.34 0.00 0.00 178.44 178.87 1x3c h ILE 46 N 0.00 0.00 -0.79 4.05 2.04 0.55 -3.12 117.51 120.24 1x3c h ILE 46 Ca -0.10 -0.08 0.18 0.00 1.00 0.00 0.00 64.86 65.87 1x3c h ILE 46 Cb 1.63 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.57 1x3c h ILE 46 CO 0.08 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 178.17 1x3c h LEU 47 N -1.03 -0.35 -0.86 1.44 -0.00 -1.73 0.90 115.31 113.68 1x3c h LEU 47 Ca -0.10 0.21 0.19 0.00 -0.00 0.00 0.00 57.88 58.18 1x3c h LEU 47 Cb 0.73 0.36 -0.16 0.00 -0.00 0.00 0.00 40.66 41.59 1x3c h LEU 47 CO 0.16 -0.20 -0.12 -0.74 -0.00 0.00 0.00 178.44 177.54 1x3c h HIS 48 N 0.10 -0.29 -0.28 1.13 -0.00 -1.65 1.90 115.15 116.06 1x3c h HIS 48 Ca 0.44 0.07 -0.08 0.00 -0.00 0.00 0.00 60.37 60.80 1x3c h HIS 48 Cb 0.79 0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 28.45 1x3c h HIS 48 CO -0.43 -0.35 -0.18 1.88 -0.00 0.00 0.00 177.93 178.85 1x3c h TYR 49 N 0.03 0.55 0.00 5.26 0.05 -0.79 0.34 116.97 122.40 1x3c h TYR 49 Ca 0.44 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 59.13 1x3c h TYR 49 Cb 0.75 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1x3c h TYR 49 CO -0.59 0.66 -0.26 1.04 -1.05 0.00 0.00 178.16 177.96 1x3c n GLN 50 N -4.16 0.14 -0.07 4.88 6.02 0.25 -0.10 117.38 124.33 1x3c n GLN 50 Ca 0.00 0.08 -0.03 0.00 -0.01 0.00 0.00 57.00 57.04 1x3c n GLN 50 Cb 0.36 -1.62 -0.16 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.65 1.92 -0.09 -1.58 0.00 0.58 -3.45 120.51 116.24 1x3c n ALA 51 Ca 0.05 -1.05 -0.15 0.00 0.00 0.00 0.00 53.44 52.29 1x3c n ALA 51 Cb 0.39 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.61 1.41 -0.61 0.00 0.31 0.11 -4.63 118.33 112.32 1x3c n VAL 52 Ca -0.23 -0.04 0.09 0.00 -0.01 0.00 0.00 64.34 64.15 1x3c n VAL 52 Cb 0.96 -2.07 0.32 0.00 -0.91 0.00 0.00 33.84 32.14 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 -4.23 1.29 -3.70 3.52 8.25 -0.20 -4.96 115.22 115.19 1x3c n HIS 53 Ca -0.27 -0.63 -0.22 0.00 -0.26 0.00 0.00 57.72 56.35 1x3c n HIS 53 Cb 0.61 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 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 0.87 -0.83 -2.61 -0.41 4.01 0.85 -4.82 118.16 115.23 1x3c n LYS 54 Ca 0.24 -0.02 -0.04 0.00 -0.51 0.00 0.00 58.31 57.98 1x3c n LYS 54 Cb 0.83 -1.81 0.01 0.00 -0.51 0.00 0.00 35.03 33.55 1x3c n LYS 54 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1x3c n SER 55 N -1.39 -1.14 -3.27 4.39 7.64 -0.46 -4.87 113.62 114.52 1x3c n SER 55 Ca -0.16 -1.73 -0.13 0.00 1.01 0.00 0.00 58.87 57.86 1x3c n SER 55 Cb 0.39 1.89 0.08 0.00 -1.01 0.00 0.00 64.21 65.56 1x3c n SER 55 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x3c n ASP 56 N -1.17 0.53 -4.05 6.43 9.92 -1.26 -2.60 116.55 124.35 1x3c n ASP 56 Ca -0.03 -1.51 -0.09 0.00 -0.53 0.00 0.00 54.79 52.63 1x3c n ASP 56 Cb 0.32 -0.40 -0.11 0.00 -0.64 0.00 0.00 41.12 40.29 1x3c n ASP 56 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1x3c s LEU 57 N 0.00 2.37 1.01 0.64 -0.00 -1.26 -4.94 118.68 116.50 1x3c s LEU 57 Ca 0.37 -0.75 -0.13 0.00 -0.00 0.00 0.00 54.13 53.62 1x3c s LEU 57 Cb -0.02 0.09 0.20 0.00 -0.00 0.00 0.00 46.19 46.46 1x3c s LEU 57 CO 0.25 -0.42 1.09 -2.16 -0.00 0.00 0.00 176.35 175.11 1x3c s PRO 58 N -2.66 0.30 -0.28 1.48 0.04 -1.26 -5.09 135.00 127.53 1x3c s PRO 58 Ca -0.04 0.49 -0.24 0.00 0.04 0.00 0.00 61.00 61.25 1x3c s PRO 58 Cb -0.02 -1.72 0.11 0.00 0.04 0.00 0.00 34.50 32.91 1x3c s PRO 58 CO -0.05 -2.81 0.96 0.00 0.04 0.00 0.00 177.00 175.14 1x3c s ALA 59 N -2.96 -1.94 -0.78 8.56 0.00 -1.26 -5.05 121.76 118.32 1x3c s ALA 59 Ca 0.66 1.94 -0.02 0.00 0.00 0.00 0.00 51.96 54.53 1x3c s ALA 59 Cb -0.19 -1.40 0.39 0.00 0.00 0.00 0.00 23.12 21.92 1x3c s ALA 59 CO 0.58 -0.27 2.03 1.19 0.00 0.00 0.00 175.76 179.29 1x3c n PHE 60 N 2.42 3.07 -3.34 0.00 3.01 -1.26 -4.84 117.46 116.52 1x3c n PHE 60 Ca -0.13 -2.57 0.02 0.00 1.01 0.00 0.00 57.45 55.78 1x3c n PHE 60 Cb 0.56 -1.27 -0.04 0.00 -0.01 0.00 0.00 39.48 38.72 1x3c n PHE 60 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1x3c s SER 61 N -1.36 -0.55 1.33 4.37 0.15 -1.26 -5.17 113.70 111.21 1x3c s SER 61 Ca 0.56 0.68 -0.19 0.00 0.70 0.00 0.00 55.95 57.70 1x3c s SER 61 Cb 0.46 1.60 0.30 0.00 -1.71 0.00 0.00 66.02 66.67 1x3c s SER 61 CO -0.28 -0.11 0.81 0.00 1.20 0.00 0.00 173.24 174.86 1x3c n ALA 62 N 5.03 -3.83 -2.81 5.45 0.00 -1.26 -4.99 120.51 118.10 1x3c n ALA 62 Ca -0.08 -1.33 -0.39 0.00 0.00 0.00 0.00 53.44 51.64 1x3c n ALA 62 Cb 0.53 -0.11 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 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 -4.88 3.42 -0.22 0.00 -1.05 -1.26 -5.05 118.70 109.65 1x3c s GLU 63 Ca 0.58 -0.67 -0.04 0.00 -0.15 0.00 0.00 54.97 54.69 1x3c s GLU 63 Cb -0.08 -3.60 0.12 0.00 -0.44 0.00 0.00 34.13 30.13 1x3c s GLU 63 CO 0.47 -0.39 0.35 0.14 0.95 0.00 0.00 175.26 176.77 1x3c s VAL 64 N 1.64 -0.55 -0.69 1.83 -7.23 -1.26 -5.09 120.40 109.04 1x3c s VAL 64 Ca 0.05 -0.02 0.04 0.00 -1.81 0.00 0.00 61.98 60.23 1x3c s VAL 64 Cb -0.17 -0.75 0.17 0.00 0.56 0.00 0.00 36.38 36.19 1x3c s VAL 64 CO 0.07 -0.10 0.49 -1.83 -0.31 0.00 0.00 175.10 173.42 1x3c s GLU 65 N 2.51 2.48 -0.06 4.82 -1.05 -1.26 -4.95 118.70 121.20 1x3c s GLU 65 Ca 0.09 -3.20 -0.02 0.00 -0.15 0.00 0.00 54.97 51.70 1x3c s GLU 65 Cb -0.15 -3.48 -0.03 0.00 -0.44 0.00 0.00 34.13 30.03 1x3c s GLU 65 CO -0.14 -1.25 2.41 0.39 0.95 0.00 0.00 175.26 177.62 1x3c n GLU 66 N 2.25 1.39 -4.03 -4.83 1.02 -1.26 -4.81 120.64 110.36 1x3c n GLU 66 Ca 0.17 -0.52 -0.11 0.00 -0.02 0.00 0.00 57.16 56.67 1x3c n GLU 66 Cb 0.35 -1.36 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 1x3c n GLU 66 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1x3c s GLU 67 N -0.06 1.72 0.13 3.49 0.41 -1.26 -5.19 118.70 117.95 1x3c s GLU 67 Ca 0.22 -1.50 -0.20 0.00 -0.41 0.00 0.00 54.97 53.08 1x3c s GLU 67 Cb 0.12 0.46 0.05 0.00 -1.78 0.00 0.00 34.13 32.98 1x3c s GLU 67 CO -0.01 -0.72 0.50 0.45 -0.49 0.00 0.00 175.26 175.00 1x3c s SER 68 N -3.12 -0.41 0.03 -0.19 0.15 -1.26 -5.17 113.70 103.73 1x3c s SER 68 Ca 0.26 -0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.87 1x3c s SER 68 Cb -0.00 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.81 1x3c s SER 68 CO 0.14 -0.89 -0.19 -0.83 1.20 0.00 0.00 173.24 172.68 1x3c s GLY 69 N -2.67 1.54 1.11 9.45 0.00 -1.26 -5.14 107.32 110.36 1x3c s GLY 69 Ca 0.01 -1.17 -0.19 0.00 0.00 0.00 0.00 44.72 43.37 1x3c s GLY 69 CO -0.11 -1.05 0.98 -1.55 0.00 0.00 0.00 173.10 171.37 1x3c n PRO 70 N 1.68 -2.94 -4.25 2.90 -0.04 -1.26 -5.10 135.00 125.99 1x3c n PRO 70 Ca -0.16 -1.57 -0.15 0.00 -0.04 0.00 0.00 63.50 61.58 1x3c n PRO 70 Cb 0.52 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1x3c n PRO 70 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x3c s SER 71 N -4.15 0.75 0.30 3.54 0.01 -1.26 -5.18 113.70 107.72 1x3c s SER 71 Ca 0.64 -1.48 0.10 0.00 1.31 0.00 0.00 55.95 56.52 1x3c s SER 71 Cb -0.06 0.38 -0.05 0.00 0.21 0.00 0.00 66.02 66.50 1x3c s SER 71 CO 0.49 -0.87 -0.05 -0.55 0.41 0.00 0.00 173.24 172.67 1x3c s SER 72 N -3.25 4.16 0.00 2.44 0.15 -1.26 -5.38 113.70 110.56 1x3c s SER 72 Ca 0.39 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1x3c s SER 72 Cb 0.06 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1x3c s SER 72 CO 0.16 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.13