#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 0.18 0.04 1.61 0.01 -1.26 -5.19 113.70 109.10 1x3c s SER 2 Ca 0.00 -1.09 -0.28 0.00 1.31 0.00 0.00 55.95 55.88 1x3c s SER 2 Cb 0.00 0.65 0.10 0.00 0.21 0.00 0.00 66.02 66.98 1x3c s SER 2 CO 0.00 -1.26 1.18 -0.94 0.41 0.00 0.00 173.24 172.63 1x3c s SER 3 N -3.08 -0.09 0.01 2.44 1.04 -1.26 -5.19 113.70 107.57 1x3c s SER 3 Ca 0.23 -0.24 -0.29 0.00 0.48 0.00 0.00 55.95 56.14 1x3c s SER 3 Cb -0.01 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.45 1x3c s SER 3 CO 0.12 -0.51 0.67 -0.83 0.98 0.00 0.00 173.24 173.67 1x3c s GLY 4 N -3.01 -0.58 0.21 7.32 0.00 -1.26 -5.18 107.32 104.83 1x3c s GLY 4 Ca 0.14 1.11 0.04 0.00 0.00 0.00 0.00 44.72 46.01 1x3c s GLY 4 CO -0.02 0.73 -0.04 -1.35 0.00 0.00 0.00 173.10 172.42 1x3c s SER 5 N -1.64 1.95 -0.04 1.64 1.04 -1.26 -5.16 113.70 110.24 1x3c s SER 5 Ca -0.07 -1.15 0.01 0.00 0.48 0.00 0.00 55.95 55.21 1x3c s SER 5 Cb -0.00 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.12 1x3c s SER 5 CO 0.03 -0.43 -0.02 -0.44 0.98 0.00 0.00 173.24 173.36 1x3c s SER 6 N -3.28 0.74 0.99 7.02 0.01 -1.26 -5.15 113.70 112.77 1x3c s SER 6 Ca 0.25 -0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.35 1x3c s SER 6 Cb 0.04 -0.34 0.11 0.00 0.21 0.00 0.00 66.02 66.05 1x3c s SER 6 CO 0.07 -0.09 0.66 0.61 0.41 0.00 0.00 173.24 174.90 1x3c n GLY 7 N 4.17 -1.29 2.76 3.44 0.00 -1.26 -5.08 105.19 107.93 1x3c n GLY 7 Ca -0.24 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 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 -4.43 0.81 0.26 1.61 6.06 -1.26 -5.13 118.95 116.87 1x3c s ARG 8 Ca 0.37 -0.81 0.08 0.00 -2.50 0.00 0.00 55.73 52.87 1x3c s ARG 8 Cb -0.01 -2.11 -0.05 0.00 0.06 0.00 0.00 34.95 32.84 1x3c s ARG 8 CO 0.26 -0.80 -0.11 0.15 -2.50 0.00 0.00 175.30 172.30 1x3c s LYS 9 N 1.68 1.51 -0.07 5.12 3.01 -1.26 -5.15 119.74 124.58 1x3c s LYS 9 Ca 0.03 -1.72 0.04 0.00 -1.01 0.00 0.00 55.97 53.31 1x3c s LYS 9 Cb -0.17 -1.26 -0.02 0.00 -1.01 0.00 0.00 37.83 35.37 1x3c s LYS 9 CO -0.16 0.14 -0.18 0.15 0.51 0.00 0.00 175.35 175.80 1x3c s LYS 10 N -3.66 2.71 -1.16 1.68 1.02 -1.26 -5.05 119.74 114.02 1x3c s LYS 10 Ca 0.27 -0.78 -0.23 0.00 0.02 0.00 0.00 55.97 55.26 1x3c s LYS 10 Cb 0.01 -2.35 -0.08 0.00 -0.52 0.00 0.00 37.83 34.89 1x3c s LYS 10 CO 0.11 0.44 1.94 -1.25 -0.92 0.00 0.00 175.35 175.66 1x3c s PRO 11 N -0.27 2.50 -0.28 -1.68 0.04 -1.26 -4.91 135.00 129.13 1x3c s PRO 11 Ca 0.01 -1.09 -0.32 0.00 0.04 0.00 0.00 61.00 59.64 1x3c s PRO 11 Cb -0.13 -5.23 -0.09 0.00 0.04 0.00 0.00 34.50 29.10 1x3c s PRO 11 CO 0.03 -3.93 2.20 1.55 0.04 0.00 0.00 177.00 176.88 1x3c n VAL 12 N 7.81 0.27 -2.75 -0.36 3.14 -1.26 -4.95 118.33 120.23 1x3c n VAL 12 Ca 0.44 -0.35 -0.23 0.00 -2.96 0.00 0.00 64.34 61.25 1x3c n VAL 12 Cb 0.47 -2.06 0.11 0.00 -1.06 0.00 0.00 33.84 31.29 1x3c n VAL 12 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1x3c s SER 13 N 7.69 4.42 1.04 6.55 1.04 -1.26 -5.06 113.70 128.11 1x3c s SER 13 Ca 1.05 -0.64 -0.24 0.00 0.48 0.00 0.00 55.95 56.61 1x3c s SER 13 Cb -0.62 0.32 -0.09 0.00 0.10 0.00 0.00 66.02 65.72 1x3c s SER 13 CO 0.43 -1.84 -0.96 0.00 0.98 0.00 0.00 173.24 171.86 1x3c n GLN 14 N -2.72 -0.50 -0.09 4.02 0.00 -1.26 -4.95 117.38 111.88 1x3c n GLN 14 Ca 0.17 -0.14 -0.10 0.00 0.00 0.00 0.00 57.00 56.93 1x3c n GLN 14 Cb 0.61 -1.24 -0.12 0.00 0.00 0.00 0.00 30.24 29.49 1x3c n GLN 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1x3c n SER 15 N 1.75 1.25 -3.12 2.61 7.64 -1.26 -5.06 113.62 117.43 1x3c n SER 15 Ca -0.01 -0.03 -0.13 0.00 1.01 0.00 0.00 58.87 59.71 1x3c n SER 15 Cb 0.69 0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 64.50 1x3c n SER 15 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x3c s LEU 16 N -5.44 0.78 -0.08 -3.43 1.02 -1.26 -5.07 118.68 105.20 1x3c s LEU 16 Ca -0.13 -1.42 0.12 0.00 0.02 0.00 0.00 54.13 52.72 1x3c s LEU 16 Cb 0.05 1.83 -0.17 0.00 0.02 0.00 0.00 46.19 47.93 1x3c s LEU 16 CO 0.63 -1.42 0.14 -1.84 0.02 0.00 0.00 176.35 173.89 1x3c n GLU 17 N -0.57 1.37 -4.54 1.70 0.28 -1.26 -5.00 120.64 112.62 1x3c n GLU 17 Ca -0.01 -0.05 -0.26 0.00 -0.16 0.00 0.00 57.16 56.68 1x3c n GLU 17 Cb 0.61 -1.31 -0.14 0.00 1.43 0.00 0.00 31.44 32.03 1x3c n GLU 17 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1x3c s PHE 18 N -2.54 1.87 -0.02 -1.84 -0.71 -1.26 -5.07 117.98 108.41 1x3c s PHE 18 Ca -0.06 -0.39 -0.24 0.00 -1.04 0.00 0.00 56.93 55.21 1x3c s PHE 18 Cb 0.06 -1.08 -0.17 0.00 -1.21 0.00 0.00 43.02 40.61 1x3c s PHE 18 CO 0.52 0.14 1.12 -1.00 -1.34 0.00 0.00 175.22 174.66 1x3c h PRO 19 N 4.58 -0.21 0.00 1.99 0.13 -2.00 -3.45 132.00 133.04 1x3c h PRO 19 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1x3c h PRO 19 Cb 1.17 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1x3c h PRO 19 CO 0.42 0.20 -0.18 -2.37 -0.23 0.00 0.00 178.00 175.84 1x3c n THR 20 N -4.97 0.09 -3.86 1.56 5.66 -1.26 -5.17 114.28 106.33 1x3c n THR 20 Ca -0.09 0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1x3c n THR 20 Cb 0.26 -0.76 0.01 0.00 -1.55 0.00 0.00 70.33 68.29 1x3c n THR 20 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1x3c n ARG 21 N -2.88 0.28 -0.92 1.09 0.63 -1.26 -5.16 116.66 108.44 1x3c n ARG 21 Ca 0.00 -0.77 -0.37 0.00 -0.92 0.00 0.00 57.85 55.80 1x3c n ARG 21 Cb 0.09 1.12 0.07 0.00 0.45 0.00 0.00 32.46 34.19 1x3c n ARG 21 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 1x3c n TYR 22 N -0.57 -1.93 -3.45 -0.14 4.11 -1.26 -4.89 117.16 109.04 1x3c n TYR 22 Ca 0.01 0.42 -0.43 0.00 -0.00 0.00 0.00 57.90 57.90 1x3c n TYR 22 Cb 0.40 -1.45 -0.06 0.00 -0.00 0.00 0.00 39.34 38.24 1x3c n TYR 22 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1x3c s SER 23 N -1.24 6.12 0.06 9.48 1.04 -1.26 -4.92 113.70 122.98 1x3c s SER 23 Ca 0.42 -2.34 -0.19 0.00 0.48 0.00 0.00 55.95 54.33 1x3c s SER 23 Cb -0.00 -2.10 -0.13 0.00 0.10 0.00 0.00 66.02 63.89 1x3c s SER 23 CO 0.69 -0.63 1.37 1.55 0.98 0.00 0.00 173.24 177.20 1x3c h PRO 24 N 8.06 0.46 -5.63 4.02 0.13 -2.05 -3.46 132.00 133.52 1x3c h PRO 24 Ca -0.08 -0.24 -0.58 0.00 -0.87 0.00 0.00 66.00 64.23 1x3c h PRO 24 Cb 1.05 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.05 1x3c h PRO 24 CO 0.83 0.81 -0.63 -0.47 -0.23 0.00 0.00 178.00 178.31 1x3c s TYR 25 N -4.33 2.30 -0.50 1.56 5.04 -1.26 -5.11 117.35 115.05 1x3c s TYR 25 Ca -0.14 -0.68 -0.06 0.00 -2.44 0.00 0.00 57.07 53.76 1x3c s TYR 25 Cb 0.06 -1.48 0.13 0.00 0.35 0.00 0.00 41.96 41.02 1x3c s TYR 25 CO 0.77 0.38 0.34 1.03 -1.34 0.00 0.00 175.55 176.74 1x3c s ARG 26 N -3.72 2.38 0.00 4.97 1.81 -1.26 -4.81 118.95 118.32 1x3c s ARG 26 Ca 0.34 -2.00 0.16 0.00 -1.72 0.00 0.00 55.73 52.50 1x3c s ARG 26 Cb 0.07 -3.78 0.92 0.00 -0.45 0.00 0.00 34.95 31.70 1x3c s ARG 26 CO 0.16 -1.15 1.35 -0.35 -0.68 0.00 0.00 175.30 174.63 1x3c n PRO 27 N 4.41 0.47 -4.02 3.54 -0.04 -1.26 -4.53 135.00 133.57 1x3c n PRO 27 Ca -0.01 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1x3c n PRO 27 Cb 0.41 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.04 2.03 -0.02 0.54 1.51 -1.19 -5.09 117.35 113.07 1x3c s TYR 28 Ca 0.23 -1.11 0.02 0.00 -1.01 0.00 0.00 57.07 55.19 1x3c s TYR 28 Cb 0.11 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1x3c s TYR 28 CO 0.18 -0.63 -0.06 1.03 -1.11 0.00 0.00 175.55 174.96 1x3c s ARG 29 N 1.51 0.76 -0.35 -0.62 0.52 -1.26 -2.33 118.95 117.18 1x3c s ARG 29 Ca 0.04 -0.21 -0.36 0.00 -0.52 0.00 0.00 55.73 54.69 1x3c s ARG 29 Cb -0.13 -0.74 -0.12 0.00 0.52 0.00 0.00 34.95 34.49 1x3c s ARG 29 CO -0.10 0.05 2.18 0.00 0.02 0.00 0.00 175.30 177.45 1x3c n VAL 31 N 7.12 -0.30 -2.12 0.00 0.24 -1.26 -3.51 118.33 118.50 1x3c n VAL 31 Ca 0.42 1.53 -0.34 0.00 -2.04 0.00 0.00 64.34 63.91 1x3c n VAL 31 Cb 0.22 -2.32 -0.04 0.00 -1.47 0.00 0.00 33.84 30.23 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 -5.43 1.84 0.15 6.34 3.76 -1.26 -4.85 115.29 115.84 1x3c s HIS 32 Ca -0.08 0.53 -0.13 0.00 -0.15 0.00 0.00 55.06 55.23 1x3c s HIS 32 Cb 0.22 -4.16 0.15 0.00 1.11 0.00 0.00 32.58 29.91 1x3c s HIS 32 CO 0.56 -2.01 1.06 0.94 -0.85 0.00 0.00 174.74 174.43 1x3c n GLN 33 N 9.03 -0.17 -0.22 1.40 -0.06 -1.23 -0.55 117.38 125.58 1x3c n GLN 33 Ca 0.29 1.05 -0.06 0.00 -2.00 0.00 0.00 57.00 56.28 1x3c n GLN 33 Cb 0.49 -1.55 -0.05 0.00 -4.06 0.00 0.00 30.24 25.07 1x3c n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1x3c n GLY 34 N -1.31 -1.74 3.46 1.69 0.00 -1.26 -4.10 105.19 101.93 1x3c n GLY 34 Ca 0.07 0.69 -0.48 0.00 0.00 0.00 0.00 46.02 46.30 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 10.62 0.22 -4.04 0.00 3.72 -1.26 -4.71 117.46 122.01 1x3c n PHE 36 Ca 0.43 -1.28 -0.22 0.00 -0.05 0.00 0.00 57.45 56.32 1x3c n PHE 36 Cb 0.25 -0.91 -0.05 0.00 -0.94 0.00 0.00 39.48 37.83 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 0.05 3.57 -0.30 4.37 0.00 -1.26 -5.13 121.76 123.06 1x3c s ALA 37 Ca 0.26 -1.67 -0.17 0.00 0.00 0.00 0.00 51.96 50.38 1x3c s ALA 37 Cb 0.14 -0.98 0.18 0.00 0.00 0.00 0.00 23.12 22.46 1x3c s ALA 37 CO -0.01 0.10 1.13 0.00 0.00 0.00 0.00 175.76 176.98 1x3c s ALA 38 N -2.32 -2.73 0.46 0.00 0.00 -1.26 -3.99 121.76 111.92 1x3c s ALA 38 Ca 0.37 2.01 0.03 0.00 0.00 0.00 0.00 51.96 54.36 1x3c s ALA 38 Cb -0.05 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1x3c s ALA 38 CO 0.24 -0.64 0.03 -0.06 0.00 0.00 0.00 175.76 175.33 1x3c s PHE 39 N 1.71 1.96 -0.25 0.00 0.08 -0.98 -5.00 117.98 115.49 1x3c s PHE 39 Ca -0.05 -0.98 -0.11 0.00 0.12 0.00 0.00 56.93 55.91 1x3c s PHE 39 Cb -0.03 -1.52 -0.11 0.00 -0.57 0.00 0.00 43.02 40.78 1x3c s PHE 39 CO -0.14 0.14 -0.32 2.41 -0.10 0.00 0.00 175.22 177.21 1x3c n THR 40 N -1.11 1.38 -2.91 0.64 -1.04 -1.26 -3.18 114.28 106.79 1x3c n THR 40 Ca -0.13 -0.36 -0.39 0.00 -2.04 0.00 0.00 64.05 61.12 1x3c n THR 40 Cb 0.67 -1.80 -0.06 0.00 -1.82 0.00 0.00 70.33 67.31 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 -2.46 4.28 0.36 12.58 1.01 -1.26 -4.65 121.20 131.06 1x3c s ILE 41 Ca -0.35 1.81 0.09 0.00 0.00 0.00 0.00 60.65 62.20 1x3c s ILE 41 Cb 0.13 -4.18 0.11 0.00 0.01 0.00 0.00 42.46 38.53 1x3c s ILE 41 CO 0.45 0.49 1.84 -0.61 0.00 0.00 0.00 174.94 177.11 1x3c h GLN 42 N 4.19 0.18 0.41 2.79 4.15 -1.99 -2.93 115.11 121.91 1x3c h GLN 42 Ca -0.46 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 58.88 1x3c h GLN 42 Cb 1.20 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1x3c h GLN 42 CO 0.66 0.43 -0.20 0.37 -1.93 0.00 0.00 178.83 178.17 1x3c h GLN 43 N 0.17 -0.53 0.00 1.69 5.75 -2.01 -2.48 115.11 117.69 1x3c h GLN 43 Ca 0.03 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1x3c h GLN 43 Cb 0.55 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.22 1x3c h GLN 43 CO 0.04 -0.35 0.44 -2.95 -2.65 0.00 0.00 178.83 173.36 1x3c h ASN 44 N -0.78 0.00 0.72 -0.69 7.08 -1.98 0.91 115.58 120.83 1x3c h ASN 44 Ca -0.06 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.91 1x3c h ASN 44 Cb 0.42 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.63 1x3c h ASN 44 CO 0.09 0.00 -1.37 0.25 -2.08 0.00 0.00 177.43 174.33 1x3c h LEU 45 N 0.00 0.05 0.62 6.14 5.85 -1.34 -3.32 115.31 123.32 1x3c h LEU 45 Ca 0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1x3c h LEU 45 Cb 0.88 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1x3c h LEU 45 CO 0.00 1.06 -0.42 0.40 -0.34 0.00 0.00 178.44 179.14 1x3c h ILE 46 N 0.01 0.14 -0.59 4.05 2.04 0.13 -2.88 117.51 120.42 1x3c h ILE 46 Ca -0.16 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.82 1x3c h ILE 46 Cb 1.90 0.14 -0.09 0.00 -0.74 0.00 0.00 36.82 38.04 1x3c h ILE 46 CO 0.11 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.24 1x3c h LEU 47 N -1.00 -0.15 -1.04 1.44 -0.00 -1.72 -0.19 115.31 112.65 1x3c h LEU 47 Ca -0.08 0.13 0.40 0.00 -0.00 0.00 0.00 57.88 58.33 1x3c h LEU 47 Cb 0.83 0.21 -0.17 0.00 -0.00 0.00 0.00 40.66 41.53 1x3c h LEU 47 CO 0.05 -0.06 0.58 -0.74 -0.00 0.00 0.00 178.44 178.27 1x3c h HIS 48 N 0.17 0.82 -0.00 1.13 -0.00 -1.60 2.20 115.15 117.87 1x3c h HIS 48 Ca 0.31 0.04 -0.17 0.00 -0.00 0.00 0.00 60.37 60.55 1x3c h HIS 48 Cb 0.48 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1x3c h HIS 48 CO -0.31 -0.38 -0.77 1.88 -0.00 0.00 0.00 177.93 178.34 1x3c h TYR 49 N 0.08 0.07 0.00 5.26 0.05 -0.99 0.36 116.97 121.80 1x3c h TYR 49 Ca 0.82 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.57 1x3c h TYR 49 Cb 2.16 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.89 1x3c h TYR 49 CO -0.01 0.80 -0.46 1.04 -1.05 0.00 0.00 178.16 178.48 1x3c n GLN 50 N -3.65 0.06 -0.11 4.88 6.02 0.65 -0.29 117.38 124.95 1x3c n GLN 50 Ca -0.01 0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1x3c n GLN 50 Cb 0.74 -1.54 -0.14 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.56 1.50 -0.09 -1.58 0.00 0.38 -3.45 120.51 115.70 1x3c n ALA 51 Ca 0.05 -1.19 -0.14 0.00 0.00 0.00 0.00 53.44 52.16 1x3c n ALA 51 Cb 0.36 -0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.91 1.48 -0.49 0.00 0.31 0.10 -4.51 118.33 112.32 1x3c n VAL 52 Ca -0.36 0.04 0.09 0.00 -0.01 0.00 0.00 64.34 64.10 1x3c n VAL 52 Cb 1.06 -2.21 0.29 0.00 -0.91 0.00 0.00 33.84 32.07 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 -4.48 1.06 -3.28 3.52 8.25 -0.83 -4.95 115.22 114.52 1x3c n HIS 53 Ca -0.23 -0.58 -0.24 0.00 -0.26 0.00 0.00 57.72 56.41 1x3c n HIS 53 Cb 0.53 -0.13 -0.05 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 0.98 -0.84 -4.35 -0.41 5.02 0.61 -4.83 118.16 114.34 1x3c n LYS 54 Ca 0.22 0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.41 1x3c n LYS 54 Cb 0.71 -2.68 -0.10 0.00 -0.02 0.00 0.00 35.03 32.93 1x3c n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x3c s SER 55 N -2.40 1.59 0.78 4.39 0.15 0.21 -4.85 113.70 113.57 1x3c s SER 55 Ca 0.45 -1.36 -0.02 0.00 0.70 0.00 0.00 55.95 55.72 1x3c s SER 55 Cb -0.26 0.08 0.16 0.00 -1.71 0.00 0.00 66.02 64.28 1x3c s SER 55 CO 0.59 -0.67 1.07 -1.81 1.20 0.00 0.00 173.24 173.62 1x3c s ASP 56 N -3.36 4.02 0.31 5.45 1.11 -1.26 -3.14 116.67 119.79 1x3c s ASP 56 Ca 0.36 -0.41 -0.06 0.00 0.18 0.00 0.00 52.55 52.62 1x3c s ASP 56 Cb 0.08 0.17 -0.06 0.00 1.07 0.00 0.00 42.92 44.18 1x3c s ASP 56 CO 0.14 -2.10 0.60 -0.76 1.18 0.00 0.00 175.17 174.22 1x3c s LEU 57 N -5.29 4.01 0.38 1.23 1.02 -1.26 -5.00 118.68 113.78 1x3c s LEU 57 Ca 0.69 0.82 0.17 0.00 0.02 0.00 0.00 54.13 55.83 1x3c s LEU 57 Cb -0.04 -3.65 0.76 0.00 0.02 0.00 0.00 46.19 43.28 1x3c s LEU 57 CO 0.46 -0.23 1.79 1.55 0.02 0.00 0.00 176.35 179.94 1x3c h PRO 58 N 1.64 0.00 -6.43 1.29 0.13 -2.05 -3.43 132.00 123.15 1x3c h PRO 58 Ca -0.47 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 1x3c h PRO 58 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 1x3c h PRO 58 CO 0.66 0.37 -0.77 0.00 -0.23 0.00 0.00 178.00 178.03 1x3c s ALA 59 N -3.86 2.72 -0.79 -0.56 0.00 -1.26 -5.08 121.76 112.94 1x3c s ALA 59 Ca -0.01 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 1x3c s ALA 59 Cb 0.12 -0.91 0.19 0.00 0.00 0.00 0.00 23.12 22.53 1x3c s ALA 59 CO 0.69 0.58 0.63 -0.06 0.00 0.00 0.00 175.76 177.60 1x3c s PHE 60 N -0.88 3.70 -0.55 0.00 0.40 -1.26 -4.90 117.98 114.49 1x3c s PHE 60 Ca 0.14 -3.03 0.01 0.00 -0.60 0.00 0.00 56.93 53.45 1x3c s PHE 60 Cb -0.11 -3.11 0.48 0.00 0.51 0.00 0.00 43.02 40.79 1x3c s PHE 60 CO 0.04 -0.72 1.83 0.45 0.70 0.00 0.00 175.22 177.53 1x3c n SER 61 N 2.53 6.41 -3.92 1.36 2.88 -1.26 -5.03 113.62 116.60 1x3c n SER 61 Ca 0.18 -3.76 -0.26 0.00 -1.33 0.00 0.00 58.87 53.70 1x3c n SER 61 Cb 0.37 -0.83 0.14 0.00 -0.75 0.00 0.00 64.21 63.14 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 -0.92 -2.60 -1.06 -1.46 0.00 -1.26 -4.65 120.51 108.56 1x3c n ALA 62 Ca 0.57 -1.16 -0.37 0.00 0.00 0.00 0.00 53.44 52.48 1x3c n ALA 62 Cb 0.86 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.25 1.77 -0.58 0.00 -0.00 -1.26 -4.69 120.64 114.62 1x3c n GLU 63 Ca 0.03 -1.77 -0.03 0.00 -0.00 0.00 0.00 57.16 55.39 1x3c n GLU 63 Cb 0.50 -2.79 -0.00 0.00 -0.00 0.00 0.00 31.44 29.15 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 5.38 2.16 -3.38 3.84 0.31 -1.26 -4.68 118.33 120.70 1x3c n VAL 64 Ca 0.48 -0.71 -0.43 0.00 -0.01 0.00 0.00 64.34 63.67 1x3c n VAL 64 Cb 0.32 -1.50 -0.01 0.00 -0.91 0.00 0.00 33.84 31.73 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 1.39 3.43 -1.03 5.55 2.13 -1.26 -5.05 120.64 125.79 1x3c n GLU 65 Ca 0.06 -4.48 -0.35 0.00 0.66 0.00 0.00 57.16 53.06 1x3c n GLU 65 Cb 0.53 -2.51 0.08 0.00 0.27 0.00 0.00 31.44 29.81 1x3c n GLU 65 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1x3c n GLU 66 N 2.46 -0.00 -3.68 5.31 4.71 -1.26 -5.02 120.64 123.16 1x3c n GLU 66 Ca 0.24 0.04 -0.09 0.00 -0.01 0.00 0.00 57.16 57.33 1x3c n GLU 66 Cb 0.38 -1.67 -0.10 0.00 -1.01 0.00 0.00 31.44 29.04 1x3c n GLU 66 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1x3c s GLU 67 N -2.91 0.37 0.29 3.49 2.56 -1.26 -5.16 118.70 116.08 1x3c s GLU 67 Ca 0.58 0.92 -0.13 0.00 0.00 0.00 0.00 54.97 56.34 1x3c s GLU 67 Cb -0.27 0.15 -0.08 0.00 2.00 0.00 0.00 34.13 35.92 1x3c s GLU 67 CO 0.66 -0.20 0.67 -1.54 -0.56 0.00 0.00 175.26 174.29 1x3c s SER 68 N 1.97 6.71 0.00 -1.70 1.04 -1.26 -5.05 113.70 115.40 1x3c s SER 68 Ca -0.06 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.51 1x3c s SER 68 Cb -0.10 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1x3c s SER 68 CO -0.13 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1x3c n GLY 69 N -0.32 1.51 3.60 7.32 0.00 -1.26 -5.17 105.19 110.87 1x3c n GLY 69 Ca 0.02 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 1x3c n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3c s PRO 70 N -2.00 -1.04 -0.06 1.61 0.04 -1.26 -5.09 135.00 127.19 1x3c s PRO 70 Ca 0.00 -0.00 -0.13 0.00 0.04 0.00 0.00 61.00 60.91 1x3c s PRO 70 Cb 0.00 -1.61 0.03 0.00 0.04 0.00 0.00 34.50 32.95 1x3c s PRO 70 CO 0.00 -3.61 0.31 0.45 0.04 0.00 0.00 177.00 174.19 1x3c s SER 71 N -3.84 -0.24 -0.37 6.66 0.15 -1.26 -5.10 113.70 109.70 1x3c s SER 71 Ca 0.70 0.31 -0.34 0.00 0.70 0.00 0.00 55.95 57.33 1x3c s SER 71 Cb -0.11 0.46 -0.15 0.00 -1.71 0.00 0.00 66.02 64.51 1x3c s SER 71 CO 0.56 -0.30 1.38 -1.54 1.20 0.00 0.00 173.24 174.54 1x3c n SER 72 N 1.98 0.75 -0.65 5.45 3.41 -1.26 -5.28 113.62 118.01 1x3c n SER 72 Ca -0.18 0.72 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 1x3c n SER 72 Cb 0.57 -0.66 0.37 0.00 -0.26 0.00 0.00 64.21 64.23 1x3c n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49