#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4i n ASP 2 N 0.00 1.18 -0.15 2.98 5.75 -1.26 -4.99 116.55 120.06 1h4i n ASP 2 Ca 0.00 -1.47 -0.02 0.00 -0.01 0.00 0.00 54.79 53.29 1h4i n ASP 2 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 1h4i n ASP 2 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h4i n GLY 3 N -0.24 0.52 0.01 6.12 0.00 -1.26 -4.90 105.19 105.44 1h4i n GLY 3 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.85 1h4i n GLY 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1h4i n THR 4 N -2.76 0.00 -3.27 2.61 -1.04 -1.26 -4.81 114.28 103.75 1h4i n THR 4 Ca -0.02 -0.36 -0.45 0.00 -2.04 0.00 0.00 64.05 61.18 1h4i n THR 4 Cb 0.15 0.29 -0.05 0.00 -1.82 0.00 0.00 70.33 68.90 1h4i n THR 4 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1h4i s LYS 5 N -3.32 3.01 -0.20 -2.82 -0.14 -1.26 -5.05 119.74 109.95 1h4i s LYS 5 Ca -0.03 -1.53 -0.13 0.00 -1.36 0.00 0.00 55.97 52.92 1h4i s LYS 5 Cb 0.14 -4.26 -0.05 0.00 -1.68 0.00 0.00 37.83 31.99 1h4i s LYS 5 CO 0.87 -1.33 0.25 0.00 -0.76 0.00 0.00 175.35 174.38 1h4i h LYS 7 N 7.12 0.98 -3.89 0.00 1.57 -1.14 -3.47 116.57 117.74 1h4i h LYS 7 Ca -0.39 -0.40 -0.20 0.00 -1.87 0.00 0.00 60.65 57.79 1h4i h LYS 7 Cb 1.16 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.36 1h4i h LYS 7 CO 0.72 1.08 -0.12 0.00 -0.57 0.00 0.00 179.45 180.55 1h4i s ALA 8 N -4.70 0.37 0.14 3.86 0.00 -1.13 -5.05 121.76 115.26 1h4i s ALA 8 Ca -0.11 -1.29 -0.31 0.00 0.00 0.00 0.00 51.96 50.25 1h4i s ALA 8 Cb 0.13 1.08 -0.10 0.00 0.00 0.00 0.00 23.12 24.22 1h4i s ALA 8 CO 0.87 -0.83 1.67 0.00 0.00 0.00 0.00 175.76 177.47 1h4i s ALA 9 N -3.18 3.79 -1.21 0.00 0.00 -1.26 -1.94 121.76 117.95 1h4i s ALA 9 Ca 0.27 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1h4i s ALA 9 Cb -0.01 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1h4i s ALA 9 CO 0.17 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1h4i n GLY 10 N 3.96 1.00 2.49 0.00 0.00 -1.26 -4.94 105.19 106.43 1h4i n GLY 10 Ca 0.16 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 1h4i n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h4i s ASN 11 N -2.79 2.42 0.00 1.61 3.84 -0.82 -4.98 114.94 114.22 1h4i s ASN 11 Ca 0.00 -2.24 0.00 0.00 0.21 0.00 0.00 52.86 50.84 1h4i s ASN 11 Cb 0.00 -0.24 0.01 0.00 -0.55 0.00 0.00 41.25 40.46 1h4i s ASN 11 CO 0.00 -0.28 0.82 0.00 -2.79 0.00 0.00 177.10 174.85 1h4i s TRP 13 N -0.63 3.02 0.02 0.00 -0.00 -1.26 -4.49 118.94 115.60 1h4i s TRP 13 Ca 0.00 1.29 0.03 0.00 -0.00 0.00 0.00 56.10 57.42 1h4i s TRP 13 Cb 0.00 -3.74 -0.02 0.00 -0.00 0.00 0.00 33.47 29.72 1h4i s TRP 13 CO 0.00 -2.15 -0.09 -1.21 -0.00 0.00 0.00 176.95 173.51 1h4i s GLU 14 N -1.36 0.63 0.58 5.86 2.02 -1.26 -4.92 118.70 120.24 1h4i s GLU 14 Ca 0.52 -0.53 -0.17 0.00 0.02 0.00 0.00 54.97 54.81 1h4i s GLU 14 Cb -0.41 -0.55 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 1h4i s GLU 14 CO 0.50 0.13 1.09 -1.25 0.02 0.00 0.00 175.26 175.76 1h4i s PRO 15 N -0.85 3.28 0.60 0.39 0.04 -1.26 -4.86 135.00 132.34 1h4i s PRO 15 Ca -0.02 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.28 1h4i s PRO 15 Cb -0.06 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1h4i s PRO 15 CO 0.00 -0.86 1.03 0.15 0.04 0.00 0.00 177.00 177.36 1h4i s LYS 16 N -3.70 3.46 -0.12 4.56 1.02 -1.26 -4.62 119.74 119.08 1h4i s LYS 16 Ca 0.68 0.96 -0.38 0.00 0.02 0.00 0.00 55.97 57.26 1h4i s LYS 16 Cb -0.19 -2.06 -0.15 0.00 -0.52 0.00 0.00 37.83 34.91 1h4i s LYS 16 CO 0.32 -0.68 1.67 -2.30 -0.92 0.00 0.00 175.35 173.44 1h4i n PRO 17 N -2.35 1.44 -0.23 -1.68 -0.02 -1.26 -0.07 135.00 130.84 1h4i n PRO 17 Ca 0.07 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1h4i n PRO 17 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1h4i n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h4i n GLY 18 N 3.80 0.91 3.74 -1.23 0.00 -1.26 -5.05 105.19 106.11 1h4i n GLY 18 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1h4i n GLY 18 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h4i s PHE 19 N -2.62 3.21 0.70 1.61 0.08 0.90 -5.11 117.98 116.75 1h4i s PHE 19 Ca 0.00 0.17 -0.12 0.00 0.12 0.00 0.00 56.93 57.10 1h4i s PHE 19 Cb 0.00 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.74 1h4i s PHE 19 CO 0.00 0.52 1.08 -1.25 -0.10 0.00 0.00 175.22 175.47 1h4i s PRO 20 N -1.59 2.74 0.30 0.24 0.04 -1.26 -4.55 135.00 130.92 1h4i s PRO 20 Ca 0.21 1.14 0.16 0.00 0.04 0.00 0.00 61.00 62.55 1h4i s PRO 20 Cb -0.12 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.61 1h4i s PRO 20 CO 0.11 -1.26 1.48 1.49 0.04 0.00 0.00 177.00 178.86 1h4i h GLU 21 N -0.54 0.00 -4.79 4.56 4.81 -1.98 -3.43 114.58 113.20 1h4i h GLU 21 Ca -0.45 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.29 1h4i h GLU 21 Cb 1.22 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.29 1h4i h GLU 21 CO 0.55 0.44 -0.81 0.15 -0.73 0.00 0.00 179.01 178.60 1h4i s LYS 22 N -3.03 1.42 0.08 1.92 3.01 -1.26 -4.99 119.74 116.89 1h4i s LYS 22 Ca 0.04 -0.43 0.23 0.00 -1.01 0.00 0.00 55.97 54.80 1h4i s LYS 22 Cb 0.07 -1.25 0.04 0.00 -1.01 0.00 0.00 37.83 35.69 1h4i s LYS 22 CO 0.73 0.13 1.02 0.44 0.51 0.00 0.00 175.35 178.18 1h4i n ILE 23 N 3.41 0.27 -1.73 2.17 -5.35 -1.26 -4.76 119.36 112.11 1h4i n ILE 23 Ca -0.20 -0.33 -0.42 0.00 -0.27 0.00 0.00 62.75 61.53 1h4i n ILE 23 Cb 0.53 0.03 -0.02 0.00 -1.74 0.00 0.00 39.64 38.44 1h4i n ILE 23 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h4i n ALA 24 N -1.94 2.49 0.00 -1.28 0.00 -1.26 -0.51 120.51 118.01 1h4i n ALA 24 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1h4i n ALA 24 Cb 0.47 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1h4i n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4i n GLY 25 N 2.69 2.98 2.68 0.00 0.00 -1.26 -4.98 105.19 107.30 1h4i n GLY 25 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1h4i n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h4i n SER 26 N 0.00 0.73 0.23 1.61 3.41 0.34 -4.95 113.62 114.98 1h4i n SER 26 Ca 0.00 -1.68 0.09 0.00 -0.26 0.00 0.00 58.87 57.02 1h4i n SER 26 Cb 0.00 -0.51 0.54 0.00 -0.26 0.00 0.00 64.21 63.99 1h4i n SER 26 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1h4i h LYS 27 N 0.00 0.00 -0.62 4.33 3.64 -1.95 -2.68 116.57 119.30 1h4i h LYS 27 Ca -0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1h4i h LYS 27 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1h4i h LYS 27 CO 0.24 0.23 0.00 0.66 -2.27 0.00 0.00 179.45 178.30 1h4i n TYR 28 N -3.67 0.96 -1.72 1.91 4.01 -1.26 -4.94 117.16 112.44 1h4i n TYR 28 Ca -0.01 -0.44 -0.42 0.00 -0.16 0.00 0.00 57.90 56.87 1h4i n TYR 28 Cb 0.35 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 1h4i n TYR 28 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1h4i s ASP 29 N -0.94 6.48 0.46 7.72 -1.08 -1.01 -4.86 116.67 123.45 1h4i s ASP 29 Ca 0.41 2.61 0.18 0.00 -0.52 0.00 0.00 52.55 55.23 1h4i s ASP 29 Cb 0.23 -2.53 1.11 0.00 -1.46 0.00 0.00 42.92 40.27 1h4i s ASP 29 CO 0.25 -1.04 2.01 -0.65 0.52 0.00 0.00 175.17 176.26 1h4i h PRO 30 N 10.39 0.00 -6.04 4.34 0.11 -1.91 -3.47 132.00 135.42 1h4i h PRO 30 Ca -0.48 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.22 1h4i h PRO 30 Cb 1.23 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.40 1h4i h PRO 30 CO 0.94 0.18 -0.80 1.63 -0.21 0.00 0.00 178.00 179.74 1h4i n LYS 31 N -4.12 -5.49 -2.10 1.05 4.76 -1.26 -4.90 118.16 106.09 1h4i n LYS 31 Ca -0.02 0.67 -0.41 0.00 -2.87 0.00 0.00 58.31 55.67 1h4i n LYS 31 Cb 0.25 -5.39 -0.02 0.00 -1.84 0.00 0.00 35.03 28.03 1h4i n LYS 31 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1h4i s HIS 32 N -3.54 3.10 -0.29 2.13 3.76 -1.26 -4.98 115.29 114.21 1h4i s HIS 32 Ca 0.16 1.19 -0.26 0.00 -0.15 0.00 0.00 55.06 56.00 1h4i s HIS 32 Cb -0.08 -3.72 0.00 0.00 1.11 0.00 0.00 32.58 29.90 1h4i s HIS 32 CO 0.80 -2.21 0.90 0.34 -0.85 0.00 0.00 174.74 173.71 1h4i s ASP 33 N 0.11 6.82 0.57 1.40 2.15 -1.26 -4.93 116.67 121.52 1h4i s ASP 33 Ca 0.56 0.92 0.27 0.00 0.43 0.00 0.00 52.55 54.73 1h4i s ASP 33 Cb -0.40 -2.46 1.58 0.00 -0.30 0.00 0.00 42.92 41.34 1h4i s ASP 33 CO 0.45 -0.66 2.08 1.55 -0.17 0.00 0.00 175.17 178.42 1h4i h PRO 34 N 7.93 0.00 -0.14 4.34 0.13 -1.99 0.19 132.00 142.46 1h4i h PRO 34 Ca -0.22 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.77 1h4i h PRO 34 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1h4i h PRO 34 CO 0.93 0.00 -0.49 0.87 -0.23 0.00 0.00 178.00 179.08 1h4i h LYS 35 N 0.00 0.37 -0.08 0.86 1.57 -2.00 -2.35 116.57 114.95 1h4i h LYS 35 Ca 0.11 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1h4i h LYS 35 Cb 0.54 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1h4i h LYS 35 CO -0.00 0.78 -0.17 0.93 -0.57 0.00 0.00 179.45 180.41 1h4i h GLU 36 N 0.29 0.25 -0.83 3.15 4.39 -1.40 -3.29 114.58 117.15 1h4i h GLU 36 Ca 0.01 -0.17 0.14 0.00 0.34 0.00 0.00 59.36 59.68 1h4i h GLU 36 Cb 0.97 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.58 1h4i h GLU 36 CO 0.08 0.77 0.54 -0.07 -1.16 0.00 0.00 179.01 179.17 1h4i h LEU 37 N -0.23 0.58 -0.06 1.33 3.38 -1.18 -2.14 115.31 116.99 1h4i h LEU 37 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1h4i h LEU 37 Cb 0.77 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1h4i h LEU 37 CO 0.04 0.30 -0.06 0.59 0.09 0.00 0.00 178.44 179.40 1h4i n ASN 38 N -4.53 0.15 -0.25 -0.43 3.02 -0.90 -4.19 115.26 108.13 1h4i n ASN 38 Ca 0.16 -0.12 -0.04 0.00 -0.03 0.00 0.00 54.58 54.54 1h4i n ASN 38 Cb 0.46 -0.24 0.07 0.00 -0.61 0.00 0.00 39.78 39.45 1h4i n ASN 38 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1h4i h LYS 39 N 0.14 0.89 -0.35 3.52 1.57 -1.46 -2.78 116.57 118.10 1h4i h LYS 39 Ca 0.00 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1h4i h LYS 39 Cb 0.36 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1h4i h LYS 39 CO 0.00 0.59 0.18 1.96 -0.57 0.00 0.00 179.45 181.61 1h4i h GLN 40 N 0.91 0.36 -0.65 3.15 4.20 -1.79 -1.98 115.11 119.32 1h4i h GLN 40 Ca 0.27 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.98 1h4i h GLN 40 Cb -0.05 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1h4i h GLN 40 CO -0.08 0.24 0.42 0.00 -0.67 0.00 0.00 178.83 178.74 1h4i h ALA 41 N 1.18 0.84 -0.74 3.87 0.00 -1.78 -2.20 119.26 120.42 1h4i h ALA 41 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1h4i h ALA 41 Cb 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1h4i h ALA 41 CO -0.10 0.20 0.43 -0.44 0.00 0.00 0.00 179.25 179.34 1h4i h ASP 42 N 0.83 0.91 0.21 0.00 5.19 -1.22 -2.02 116.42 120.32 1h4i h ASP 42 Ca 0.25 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1h4i h ASP 42 Cb -0.03 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.25 1h4i h ASP 42 CO -0.08 0.72 -0.12 0.28 -3.12 0.00 0.00 179.24 176.92 1h4i h SER 43 N 1.02 -0.29 -0.99 6.45 0.02 -0.97 -1.15 113.55 117.63 1h4i h SER 43 Ca 0.26 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.28 1h4i h SER 43 Cb -0.00 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1h4i h SER 43 CO -0.05 -0.20 0.64 0.40 -1.14 0.00 0.00 176.83 176.49 1h4i h ILE 44 N -0.31 1.12 -0.19 3.27 2.04 -1.32 -0.65 117.51 121.47 1h4i h ILE 44 Ca -0.02 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1h4i h ILE 44 Cb 0.25 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 1h4i h ILE 44 CO 0.03 0.22 0.06 0.50 0.00 0.00 0.00 178.15 178.96 1h4i h LYS 45 N 1.20 0.14 -0.56 2.37 3.64 -1.10 -0.02 116.57 122.24 1h4i h LYS 45 Ca 0.41 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.69 1h4i h LYS 45 Cb 0.09 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1h4i h LYS 45 CO -0.15 0.09 -0.02 1.96 -2.27 0.00 0.00 179.45 179.06 1h4i h GLN 46 N 0.15 1.00 -0.34 1.90 4.20 -0.60 -2.31 115.11 119.11 1h4i h GLN 46 Ca 0.08 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 1h4i h GLN 46 Cb 0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1h4i h GLN 46 CO -0.09 1.01 0.09 0.52 -0.67 0.00 0.00 178.83 179.70 1h4i h MET 47 N 0.89 0.53 -0.98 1.46 2.86 -0.85 -1.01 114.93 117.84 1h4i h MET 47 Ca 0.16 -0.12 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1h4i h MET 47 Cb 0.57 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.09 1h4i h MET 47 CO 0.03 0.58 0.63 0.93 1.06 0.00 0.00 176.91 180.14 1h4i h GLU 48 N 0.39 1.12 -0.32 1.72 5.08 -0.92 0.12 114.58 121.77 1h4i h GLU 48 Ca 0.11 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 1h4i h GLU 48 Cb 0.28 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1h4i h GLU 48 CO -0.00 0.74 -0.45 1.49 -1.00 0.00 0.00 179.01 179.79 1h4i h GLU 49 N 1.16 0.87 -0.79 2.33 4.81 -1.18 -1.54 114.58 120.23 1h4i h GLU 49 Ca 0.41 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1h4i h GLU 49 Cb 0.14 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1h4i h GLU 49 CO -0.15 1.15 0.41 0.00 -0.73 0.00 0.00 179.01 179.68 1h4i h ARG 50 N 0.66 1.12 -0.19 1.92 3.08 -0.40 -2.60 114.38 117.96 1h4i h ARG 50 Ca 0.03 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 1h4i h ARG 50 Cb 1.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1h4i h ARG 50 CO 0.10 0.84 -0.48 -0.91 -1.07 0.00 0.00 179.97 178.45 1h4i h ASN 51 N 1.12 0.55 -0.65 7.04 2.35 -0.67 -2.79 115.58 122.53 1h4i h ASN 51 Ca 0.28 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1h4i h ASN 51 Cb 0.06 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1h4i h ASN 51 CO -0.04 0.94 0.41 0.11 -1.65 0.00 0.00 177.43 177.20 1h4i h LYS 52 N 0.40 0.79 -0.69 0.81 1.79 -0.90 0.59 116.57 119.36 1h4i h LYS 52 Ca 0.02 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1h4i h LYS 52 Cb 0.99 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.43 1h4i h LYS 52 CO 0.09 0.52 0.26 0.87 -1.08 0.00 0.00 179.45 180.11 1h4i h LYS 53 N 0.81 1.04 -0.01 3.15 1.57 -1.42 -0.61 116.57 121.11 1h4i h LYS 53 Ca 0.26 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1h4i h LYS 53 Cb -0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1h4i h LYS 53 CO -0.10 0.87 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 1h4i h ARG 54 N 0.99 0.01 -0.44 3.15 3.08 -1.13 -2.07 114.38 117.96 1h4i h ARG 54 Ca 0.23 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.14 1h4i h ARG 54 Cb 0.23 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1h4i h ARG 54 CO -0.02 0.08 -0.26 0.28 -1.07 0.00 0.00 179.97 178.98 1h4i h VAL 55 N -0.06 1.27 -0.52 2.04 2.07 -0.73 -1.10 116.25 119.22 1h4i h VAL 55 Ca 0.00 -1.43 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 1h4i h VAL 55 Cb 0.07 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1h4i h VAL 55 CO -0.00 0.49 0.01 -0.33 0.02 0.00 0.00 177.57 177.75 1h4i h GLU 56 N 0.80 0.90 -0.66 1.57 4.39 -1.13 -0.70 114.58 119.75 1h4i h GLU 56 Ca 0.09 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 1h4i h GLU 56 Cb 0.84 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1h4i h GLU 56 CO 0.07 0.93 0.24 -0.97 -1.16 0.00 0.00 179.01 178.12 1h4i h ASN 57 N 0.77 0.93 0.23 1.42 -1.24 -1.32 -0.96 115.58 115.41 1h4i h ASN 57 Ca 0.15 -0.19 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 1h4i h ASN 57 Cb 0.51 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1h4i h ASN 57 CO 0.02 0.86 -0.11 0.15 -1.29 0.00 0.00 177.43 177.07 1h4i h PHE 58 N 0.94 -0.28 -0.60 0.67 -0.00 -1.01 0.14 116.94 116.80 1h4i h PHE 58 Ca 0.22 -0.01 0.07 0.00 -0.00 0.00 0.00 57.97 58.26 1h4i h PHE 58 Cb 0.24 0.09 -0.06 0.00 -0.00 0.00 0.00 35.95 36.22 1h4i h PHE 58 CO 0.02 -0.17 0.27 0.87 -0.00 0.00 0.00 178.31 179.30 1h4i h LYS 59 N -0.31 0.48 0.07 1.11 1.57 -0.88 0.31 116.57 118.92 1h4i h LYS 59 Ca -0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1h4i h LYS 59 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1h4i h LYS 59 CO 0.05 0.32 -0.03 0.87 -0.57 0.00 0.00 179.45 180.09 1h4i h LYS 60 N 0.50 -0.09 0.00 3.15 1.57 -1.03 -3.38 116.57 117.30 1h4i h LYS 60 Ca 0.29 0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.87 1h4i h LYS 60 Cb 0.28 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1h4i h LYS 60 CO -0.24 0.40 -1.20 1.79 -0.57 0.00 0.00 179.45 179.63 1h4i h THR 61 N -0.63 1.05 0.00 -0.16 1.35 -0.62 -3.48 112.91 110.41 1h4i h THR 61 Ca -0.01 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1h4i h THR 61 Cb 0.53 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1h4i h THR 61 CO 0.02 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1h4i n GLY 62 N 1.40 0.78 2.97 5.82 0.00 0.11 -5.02 105.19 111.24 1h4i n GLY 62 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1h4i n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h4i s LYS 63 N -0.40 1.83 0.14 1.61 -0.14 -1.26 -5.05 119.74 116.47 1h4i s LYS 63 Ca 0.00 -0.39 -0.30 0.00 -1.36 0.00 0.00 55.97 53.92 1h4i s LYS 63 Cb 0.00 -1.71 -0.07 0.00 -1.68 0.00 0.00 37.83 34.37 1h4i s LYS 63 CO 0.00 -0.18 1.07 0.12 -0.76 0.00 0.00 175.35 175.60 1h4i s PHE 64 N 1.37 3.64 -0.20 3.18 5.36 -1.26 -4.38 117.98 125.70 1h4i s PHE 64 Ca -0.00 1.63 -0.00 0.00 -0.96 0.00 0.00 56.93 57.60 1h4i s PHE 64 Cb -0.13 -3.22 0.05 0.00 -0.34 0.00 0.00 43.02 39.37 1h4i s PHE 64 CO -0.06 -0.42 -0.04 -2.00 -1.46 0.00 0.00 175.22 171.24 1h4i s GLU 65 N -0.10 1.43 0.21 10.12 2.56 -1.26 -5.00 118.70 126.65 1h4i s GLU 65 Ca 0.50 -0.69 0.11 0.00 0.00 0.00 0.00 54.97 54.89 1h4i s GLU 65 Cb -0.27 -2.25 -0.01 0.00 2.00 0.00 0.00 34.13 33.59 1h4i s GLU 65 CO 0.33 -0.52 1.39 -0.92 -0.56 0.00 0.00 175.26 174.98 1h4i h TYR 66 N 8.07 0.00 -2.97 5.30 3.20 -1.95 -3.43 116.97 125.20 1h4i h TYR 66 Ca -0.21 0.00 -0.57 0.00 3.14 0.00 0.00 58.73 61.08 1h4i h TYR 66 Cb 1.10 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.27 1h4i h TYR 66 CO 0.45 0.75 0.83 0.34 -1.64 0.00 0.00 178.16 178.88 1h4i s ASP 67 N -6.61 6.33 0.39 -2.11 -1.08 -1.26 -4.88 116.67 107.44 1h4i s ASP 67 Ca 0.02 -0.26 0.09 0.00 -0.52 0.00 0.00 52.55 51.88 1h4i s ASP 67 Cb 0.09 -2.51 0.85 0.00 -1.46 0.00 0.00 42.92 39.89 1h4i s ASP 67 CO 0.78 -1.48 1.96 0.58 0.52 0.00 0.00 175.17 177.53 1h4i h VAL 68 N 6.07 0.96 0.00 1.11 2.07 -1.93 -0.01 116.25 124.52 1h4i h VAL 68 Ca -0.26 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1h4i h VAL 68 Cb 1.06 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1h4i h VAL 68 CO 1.18 0.12 0.00 0.00 0.02 0.00 0.00 177.57 178.88 1h4i h ALA 69 N 1.64 1.00 -0.46 1.67 0.00 -1.98 -1.73 119.26 119.40 1h4i h ALA 69 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1h4i h ALA 69 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1h4i h ALA 69 CO -0.10 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.78 1h4i n LYS 70 N -2.54 2.39 -3.77 0.00 5.02 -0.02 -4.92 118.16 114.32 1h4i n LYS 70 Ca 0.02 -2.12 -0.36 0.00 -2.02 0.00 0.00 58.31 53.82 1h4i n LYS 70 Cb 0.25 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1h4i n LYS 70 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1h4i s ILE 71 N -1.40 5.35 0.00 -0.18 1.01 -0.65 -4.56 121.20 120.77 1h4i s ILE 71 Ca 0.39 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1h4i s ILE 71 Cb 0.22 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1h4i s ILE 71 CO 0.30 0.54 0.00 -1.20 0.00 0.00 0.00 174.94 174.58 1h4i n SER 72 N 1.70 0.00 0.00 3.58 7.64 -1.26 -5.04 113.62 120.23 1h4i n SER 72 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1h4i n SER 72 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1h4i n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03