#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 1.20 -0.19 2.98 5.75 -1.26 -4.99 116.55 120.04 1h4i n ASP 2 Ca 0.00 -1.54 -0.02 0.00 -0.01 0.00 0.00 54.79 53.21 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 -0.27 0.53 0.01 6.12 0.00 -1.26 -4.90 105.19 105.42 1h4i n GLY 3 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.70 0.00 -3.24 2.61 -1.04 -1.26 -4.80 114.28 103.85 1h4i n THR 4 Ca -0.02 -0.37 -0.45 0.00 -2.04 0.00 0.00 64.05 61.16 1h4i n THR 4 Cb 0.19 0.25 -0.05 0.00 -1.82 0.00 0.00 70.33 68.89 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 -3.33 3.02 -0.23 -2.82 -0.14 -1.26 -5.04 119.74 109.94 1h4i s LYS 5 Ca -0.04 -1.42 -0.12 0.00 -1.36 0.00 0.00 55.97 53.03 1h4i s LYS 5 Cb 0.14 -4.24 -0.05 0.00 -1.68 0.00 0.00 37.83 32.01 1h4i s LYS 5 CO 0.86 -1.33 0.22 0.00 -0.76 0.00 0.00 175.35 174.34 1h4i h LYS 7 N 7.49 1.02 -3.96 0.00 1.57 -1.15 -3.46 116.57 118.07 1h4i h LYS 7 Ca -0.37 -0.27 -0.22 0.00 -1.87 0.00 0.00 60.65 57.91 1h4i h LYS 7 Cb 1.17 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.28 1h4i h LYS 7 CO 0.67 0.95 -0.15 0.00 -0.57 0.00 0.00 179.45 180.35 1h4i s ALA 8 N -5.21 0.49 0.15 3.86 0.00 -1.14 -5.05 121.76 114.86 1h4i s ALA 8 Ca -0.12 -1.36 -0.31 0.00 0.00 0.00 0.00 51.96 50.17 1h4i s ALA 8 Cb 0.13 1.10 -0.10 0.00 0.00 0.00 0.00 23.12 24.25 1h4i s ALA 8 CO 0.84 -0.81 1.67 0.00 0.00 0.00 0.00 175.76 177.45 1h4i s ALA 9 N -3.15 3.80 -1.33 0.00 0.00 -1.26 -1.98 121.76 117.83 1h4i s ALA 9 Ca 0.28 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.65 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 0.18 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1h4i n GLY 10 N 3.95 0.89 2.51 0.00 0.00 -1.26 -4.94 105.19 106.34 1h4i n GLY 10 Ca 0.15 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.71 2.28 0.00 1.61 3.84 -0.84 -4.99 114.94 114.14 1h4i s ASN 11 Ca 0.00 -2.21 0.00 0.00 0.21 0.00 0.00 52.86 50.86 1h4i s ASN 11 Cb 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 41.25 40.53 1h4i s ASN 11 CO 0.00 -0.27 0.85 0.00 -2.79 0.00 0.00 177.10 174.89 1h4i s TRP 13 N -0.71 3.08 0.02 0.00 -0.00 -1.26 -4.49 118.94 115.58 1h4i s TRP 13 Ca 0.00 1.39 0.02 0.00 -0.00 0.00 0.00 56.10 57.51 1h4i s TRP 13 Cb 0.00 -3.67 -0.01 0.00 -0.00 0.00 0.00 33.47 29.79 1h4i s TRP 13 CO 0.00 -1.86 -0.08 -1.21 -0.00 0.00 0.00 176.95 173.80 1h4i s GLU 14 N -1.58 0.57 0.57 5.86 2.02 -1.26 -4.92 118.70 119.96 1h4i s GLU 14 Ca 0.50 -0.49 -0.18 0.00 0.02 0.00 0.00 54.97 54.82 1h4i s GLU 14 Cb -0.39 -0.48 -0.04 0.00 0.10 0.00 0.00 34.13 33.31 1h4i s GLU 14 CO 0.51 0.12 1.09 -1.25 0.02 0.00 0.00 175.26 175.75 1h4i s PRO 15 N -0.80 3.29 0.61 0.39 0.04 -1.26 -4.87 135.00 132.40 1h4i s PRO 15 Ca -0.02 1.42 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 1h4i s PRO 15 Cb -0.06 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1h4i s PRO 15 CO 0.00 -0.86 1.04 0.15 0.04 0.00 0.00 177.00 177.36 1h4i s LYS 16 N -3.66 3.42 -0.10 4.56 1.02 -1.26 -4.62 119.74 119.10 1h4i s LYS 16 Ca 0.68 0.98 -0.38 0.00 0.02 0.00 0.00 55.97 57.28 1h4i s LYS 16 Cb -0.20 -2.05 -0.15 0.00 -0.52 0.00 0.00 37.83 34.91 1h4i s LYS 16 CO 0.32 -0.71 1.63 -2.30 -0.92 0.00 0.00 175.35 173.36 1h4i n PRO 17 N -2.38 1.41 -0.26 -1.68 -0.02 -1.26 -0.15 135.00 130.65 1h4i n PRO 17 Ca 0.07 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1h4i n PRO 17 Cb 0.54 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 3.65 0.95 3.71 -1.23 0.00 -1.26 -5.05 105.19 105.97 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 -2.69 3.14 0.68 1.61 0.08 0.78 -5.11 117.98 116.47 1h4i s PHE 19 Ca 0.00 0.12 -0.12 0.00 0.12 0.00 0.00 56.93 57.04 1h4i s PHE 19 Cb 0.00 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1h4i s PHE 19 CO 0.00 0.49 1.07 -1.25 -0.10 0.00 0.00 175.22 175.43 1h4i s PRO 20 N -1.62 2.86 0.33 0.24 0.04 -1.26 -4.57 135.00 131.03 1h4i s PRO 20 Ca 0.21 1.11 0.18 0.00 0.04 0.00 0.00 61.00 62.54 1h4i s PRO 20 Cb -0.12 -1.98 0.21 0.00 0.04 0.00 0.00 34.50 32.66 1h4i s PRO 20 CO 0.11 -1.17 1.52 1.49 0.04 0.00 0.00 177.00 179.00 1h4i h GLU 21 N -0.44 0.00 -4.69 4.56 4.81 -1.98 -3.44 114.58 113.41 1h4i h GLU 21 Ca -0.45 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.31 1h4i h GLU 21 Cb 1.22 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.28 1h4i h GLU 21 CO 0.55 0.36 -0.80 0.15 -0.73 0.00 0.00 179.01 178.54 1h4i s LYS 22 N -3.08 1.27 0.07 1.92 3.01 -1.26 -5.00 119.74 116.67 1h4i s LYS 22 Ca 0.04 -0.38 0.23 0.00 -1.01 0.00 0.00 55.97 54.86 1h4i s LYS 22 Cb 0.07 -1.13 0.02 0.00 -1.01 0.00 0.00 37.83 35.78 1h4i s LYS 22 CO 0.72 0.11 0.99 0.44 0.51 0.00 0.00 175.35 178.12 1h4i n ILE 23 N 3.42 0.23 -1.74 2.17 -5.35 -1.26 -4.74 119.36 112.08 1h4i n ILE 23 Ca -0.20 -0.31 -0.42 0.00 -0.27 0.00 0.00 62.75 61.55 1h4i n ILE 23 Cb 0.53 0.10 -0.02 0.00 -1.74 0.00 0.00 39.64 38.52 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 -1.91 2.48 0.00 -1.28 0.00 -1.26 -0.31 120.51 118.22 1h4i n ALA 24 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1h4i n ALA 24 Cb 0.46 -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 2.27 2.72 2.69 0.00 0.00 -1.26 -4.98 105.19 106.62 1h4i n GLY 25 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 0.58 0.22 1.61 3.41 0.58 -4.95 113.62 115.07 1h4i n SER 26 Ca 0.00 -1.60 0.07 0.00 -0.26 0.00 0.00 58.87 57.08 1h4i n SER 26 Cb 0.00 -0.56 0.51 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.60 4.33 3.64 -1.94 -2.65 116.57 119.34 1h4i h LYS 27 Ca -0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 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 0.23 0.25 0.00 0.66 -2.27 0.00 0.00 179.45 178.33 1h4i n TYR 28 N -3.84 0.95 -1.74 1.91 4.01 -1.26 -4.94 117.16 112.24 1h4i n TYR 28 Ca -0.02 -0.43 -0.42 0.00 -0.16 0.00 0.00 57.90 56.88 1h4i n TYR 28 Cb 0.34 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.92 6.48 0.40 7.72 -1.08 -1.00 -4.86 116.67 123.41 1h4i s ASP 29 Ca 0.40 2.63 0.12 0.00 -0.52 0.00 0.00 52.55 55.17 1h4i s ASP 29 Cb 0.23 -2.54 0.83 0.00 -1.46 0.00 0.00 42.92 39.98 1h4i s ASP 29 CO 0.24 -1.01 1.91 -0.65 0.52 0.00 0.00 175.17 176.17 1h4i h PRO 30 N 9.80 0.09 -5.87 4.34 0.11 -1.91 -3.47 132.00 135.08 1h4i h PRO 30 Ca -0.47 -0.02 -0.38 0.00 0.11 0.00 0.00 66.00 65.24 1h4i h PRO 30 Cb 1.22 -0.01 0.11 0.00 0.11 0.00 0.00 31.00 32.43 1h4i h PRO 30 CO 0.94 0.31 -0.78 1.63 -0.21 0.00 0.00 178.00 179.90 1h4i n LYS 31 N -4.24 -6.14 -2.17 1.05 4.76 -1.26 -4.90 118.16 105.26 1h4i n LYS 31 Ca -0.02 0.75 -0.41 0.00 -2.87 0.00 0.00 58.31 55.76 1h4i n LYS 31 Cb 0.30 -5.61 -0.03 0.00 -1.84 0.00 0.00 35.03 27.86 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 -3.45 3.18 -0.31 2.13 3.76 -1.26 -4.98 115.29 114.36 1h4i s HIS 32 Ca 0.13 1.25 -0.26 0.00 -0.15 0.00 0.00 55.06 56.02 1h4i s HIS 32 Cb -0.06 -3.65 0.01 0.00 1.11 0.00 0.00 32.58 29.99 1h4i s HIS 32 CO 0.77 -1.96 0.94 0.34 -0.85 0.00 0.00 174.74 173.98 1h4i s ASP 33 N 0.10 6.82 0.57 1.40 2.15 -1.26 -4.93 116.67 121.53 1h4i s ASP 33 Ca 0.55 0.90 0.27 0.00 0.43 0.00 0.00 52.55 54.70 1h4i s ASP 33 Cb -0.38 -2.48 1.56 0.00 -0.30 0.00 0.00 42.92 41.32 1h4i s ASP 33 CO 0.42 -0.74 2.06 1.55 -0.17 0.00 0.00 175.17 178.29 1h4i h PRO 34 N 8.05 0.00 -0.20 4.34 0.13 -1.99 -0.10 132.00 142.22 1h4i h PRO 34 Ca -0.22 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.78 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 0.96 0.00 -0.42 0.87 -0.23 0.00 0.00 178.00 179.18 1h4i h LYS 35 N 0.00 0.48 -0.08 0.86 1.57 -2.00 -2.28 116.57 115.11 1h4i h LYS 35 Ca 0.13 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1h4i h LYS 35 Cb 0.64 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1h4i h LYS 35 CO -0.00 0.82 -0.14 0.93 -0.57 0.00 0.00 179.45 180.48 1h4i h GLU 36 N 0.39 0.25 -0.82 3.15 4.39 -1.45 -3.29 114.58 117.20 1h4i h GLU 36 Ca 0.03 -0.15 0.12 0.00 0.34 0.00 0.00 59.36 59.69 1h4i h GLU 36 Cb 0.91 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.52 1h4i h GLU 36 CO 0.08 0.73 0.53 -0.07 -1.16 0.00 0.00 179.01 179.12 1h4i h LEU 37 N -0.21 0.62 -0.02 1.33 3.38 -1.20 -2.40 115.31 116.81 1h4i h LEU 37 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1h4i h LEU 37 Cb 0.71 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1h4i h LEU 37 CO 0.03 0.35 -0.04 0.59 0.09 0.00 0.00 178.44 179.46 1h4i n ASN 38 N -4.52 0.08 -0.26 -0.43 3.02 -0.87 -4.20 115.26 108.07 1h4i n ASN 38 Ca 0.15 0.08 -0.03 0.00 -0.03 0.00 0.00 54.58 54.75 1h4i n ASN 38 Cb 0.39 -0.33 0.09 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.06 0.87 -0.24 3.52 1.57 -1.49 -2.81 116.57 118.04 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 0.40 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1h4i h LYS 39 CO 0.00 0.58 0.09 1.96 -0.57 0.00 0.00 179.45 181.51 1h4i h GLN 40 N 0.90 0.21 -0.78 3.15 4.20 -1.79 -2.06 115.11 118.93 1h4i h GLN 40 Ca 0.29 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.04 1h4i h GLN 40 Cb 0.02 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 1h4i h GLN 40 CO -0.11 0.14 0.48 0.00 -0.67 0.00 0.00 178.83 178.66 1h4i h ALA 41 N 1.14 1.06 -0.75 3.87 0.00 -1.79 -2.11 119.26 120.68 1h4i h ALA 41 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1h4i h ALA 41 Cb 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1h4i h ALA 41 CO -0.09 0.22 0.32 -0.44 0.00 0.00 0.00 179.25 179.26 1h4i h ASP 42 N 0.89 1.02 0.15 0.00 5.19 -1.24 -1.96 116.42 120.48 1h4i h ASP 42 Ca 0.33 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1h4i h ASP 42 Cb 0.13 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.37 1h4i h ASP 42 CO -0.16 0.90 -0.07 0.28 -3.12 0.00 0.00 179.24 177.07 1h4i h SER 43 N 1.07 -0.17 -0.90 6.45 0.02 -0.89 -1.02 113.55 118.12 1h4i h SER 43 Ca 0.25 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1h4i h SER 43 Cb 0.19 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1h4i h SER 43 CO -0.02 -0.08 0.59 0.40 -1.14 0.00 0.00 176.83 176.57 1h4i h ILE 44 N -0.24 1.15 -0.15 3.27 2.04 -1.31 0.04 117.51 122.30 1h4i h ILE 44 Ca -0.02 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1h4i h ILE 44 Cb 0.19 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1h4i h ILE 44 CO 0.03 0.20 0.10 0.50 0.00 0.00 0.00 178.15 178.99 1h4i h LYS 45 N 1.12 0.19 -0.54 2.37 3.64 -1.10 -0.20 116.57 122.05 1h4i h LYS 45 Ca 0.36 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 1h4i h LYS 45 Cb 0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1h4i h LYS 45 CO -0.11 0.13 -0.09 1.96 -2.27 0.00 0.00 179.45 179.07 1h4i h GLN 46 N 0.20 1.01 -0.28 1.90 4.20 -0.52 -2.25 115.11 119.37 1h4i h GLN 46 Ca 0.05 -0.36 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 1h4i h GLN 46 Cb -0.02 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1h4i h GLN 46 CO -0.01 1.05 0.03 0.52 -0.67 0.00 0.00 178.83 179.74 1h4i h MET 47 N 0.91 0.47 -0.82 1.46 2.86 -0.78 -1.30 114.93 117.74 1h4i h MET 47 Ca 0.14 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1h4i h MET 47 Cb 0.65 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1h4i h MET 47 CO 0.05 0.60 0.53 0.93 1.06 0.00 0.00 176.91 180.08 1h4i h GLU 48 N 0.28 0.86 -0.22 1.72 5.08 -0.93 0.13 114.58 121.49 1h4i h GLU 48 Ca 0.08 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 1h4i h GLU 48 Cb 0.37 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1h4i h GLU 48 CO 0.01 0.57 -0.65 1.49 -1.00 0.00 0.00 179.01 179.43 1h4i h GLU 49 N 0.88 0.83 -0.69 2.33 4.81 -1.17 -1.89 114.58 119.67 1h4i h GLU 49 Ca 0.35 -0.59 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1h4i h GLU 49 Cb 0.24 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1h4i h GLU 49 CO -0.13 1.22 0.32 0.00 -0.73 0.00 0.00 179.01 179.69 1h4i h ARG 50 N 0.58 0.99 -0.15 1.92 3.08 -0.47 -2.32 114.38 118.01 1h4i h ARG 50 Ca -0.02 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.76 1h4i h ARG 50 Cb 1.27 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1h4i h ARG 50 CO 0.14 0.77 -0.49 -0.91 -1.07 0.00 0.00 179.97 178.42 1h4i h ASN 51 N 0.99 0.44 -0.70 7.04 2.35 -0.69 -2.81 115.58 122.20 1h4i h ASN 51 Ca 0.24 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1h4i h ASN 51 Cb 0.12 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1h4i h ASN 51 CO -0.03 0.86 0.44 0.11 -1.65 0.00 0.00 177.43 177.16 1h4i h LYS 52 N 0.32 0.93 -0.71 0.81 1.79 -0.79 0.80 116.57 119.72 1h4i h LYS 52 Ca 0.02 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 1h4i h LYS 52 Cb 0.97 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 1h4i h LYS 52 CO 0.08 0.64 0.23 0.87 -1.08 0.00 0.00 179.45 180.19 1h4i h LYS 53 N 0.95 1.09 -0.09 3.15 1.57 -1.42 -0.51 116.57 121.32 1h4i h LYS 53 Ca 0.25 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1h4i h LYS 53 Cb -0.07 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1h4i h LYS 53 CO -0.05 0.93 0.03 0.00 -0.57 0.00 0.00 179.45 179.78 1h4i h ARG 54 N 1.05 0.14 -0.46 3.15 3.08 -1.12 -2.24 114.38 117.98 1h4i h ARG 54 Ca 0.23 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 1h4i h ARG 54 Cb 0.29 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1h4i h ARG 54 CO -0.01 0.29 -0.25 0.28 -1.07 0.00 0.00 179.97 179.22 1h4i h VAL 55 N -0.05 1.27 -0.50 2.04 2.07 -0.67 -0.91 116.25 119.50 1h4i h VAL 55 Ca 0.03 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 1h4i h VAL 55 Cb 0.21 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1h4i h VAL 55 CO -0.00 0.48 0.04 -0.33 0.02 0.00 0.00 177.57 177.78 1h4i h GLU 56 N 0.82 0.86 -0.70 1.57 4.39 -1.13 -0.39 114.58 120.00 1h4i h GLU 56 Ca 0.10 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1h4i h GLU 56 Cb 0.83 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1h4i h GLU 56 CO 0.07 0.87 0.31 -0.97 -1.16 0.00 0.00 179.01 178.13 1h4i h ASN 57 N 0.73 0.95 0.25 1.42 -1.24 -1.36 -0.80 115.58 115.53 1h4i h ASN 57 Ca 0.15 -0.15 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1h4i h ASN 57 Cb 0.46 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1h4i h ASN 57 CO 0.02 0.84 -0.12 0.15 -1.29 0.00 0.00 177.43 177.03 1h4i h PHE 58 N 1.00 -0.31 -0.47 0.67 -0.00 -0.93 0.11 116.94 117.01 1h4i h PHE 58 Ca 0.24 -0.01 0.07 0.00 -0.00 0.00 0.00 57.97 58.27 1h4i h PHE 58 Cb 0.17 0.10 -0.06 0.00 -0.00 0.00 0.00 35.95 36.16 1h4i h PHE 58 CO 0.01 -0.19 0.14 0.87 -0.00 0.00 0.00 178.31 179.15 1h4i h LYS 59 N -0.34 0.29 0.12 1.11 1.57 -0.75 0.33 116.57 118.89 1h4i h LYS 59 Ca -0.03 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1h4i h LYS 59 Cb 0.26 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1h4i h LYS 59 CO 0.06 0.19 -0.06 0.87 -0.57 0.00 0.00 179.45 179.94 1h4i h LYS 60 N 0.30 -0.15 0.00 3.15 1.57 -1.03 -3.37 116.57 117.03 1h4i h LYS 60 Ca 0.23 0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.83 1h4i h LYS 60 Cb 0.26 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1h4i h LYS 60 CO -0.26 0.24 -1.16 1.79 -0.57 0.00 0.00 179.45 179.50 1h4i h THR 61 N -0.59 0.96 0.00 -0.16 1.35 -0.69 -3.48 112.91 110.30 1h4i h THR 61 Ca -0.02 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 1h4i h THR 61 Cb 0.47 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1h4i h THR 61 CO 0.03 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1h4i n GLY 62 N 1.38 0.78 2.96 5.82 0.00 0.11 -5.02 105.19 111.23 1h4i n GLY 62 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.36 1.72 0.11 1.61 -0.14 -1.26 -5.06 119.74 116.36 1h4i s LYS 63 Ca 0.00 -0.35 -0.30 0.00 -1.36 0.00 0.00 55.97 53.96 1h4i s LYS 63 Cb 0.00 -1.63 -0.06 0.00 -1.68 0.00 0.00 37.83 34.46 1h4i s LYS 63 CO 0.00 -0.18 1.05 0.12 -0.76 0.00 0.00 175.35 175.58 1h4i s PHE 64 N 1.38 3.66 -0.19 3.18 5.36 -1.26 -4.38 117.98 125.73 1h4i s PHE 64 Ca -0.01 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.61 1h4i s PHE 64 Cb -0.14 -3.20 0.05 0.00 -0.34 0.00 0.00 43.02 39.39 1h4i s PHE 64 CO -0.05 -0.33 -0.07 -2.00 -1.46 0.00 0.00 175.22 171.31 1h4i s GLU 65 N 0.17 1.66 0.22 10.12 2.56 -1.26 -5.00 118.70 127.16 1h4i s GLU 65 Ca 0.50 -0.71 0.13 0.00 0.00 0.00 0.00 54.97 54.90 1h4i s GLU 65 Cb -0.26 -2.26 -0.02 0.00 2.00 0.00 0.00 34.13 33.59 1h4i s GLU 65 CO 0.31 -0.47 1.34 -0.92 -0.56 0.00 0.00 175.26 174.96 1h4i h TYR 66 N 8.04 0.00 -3.02 5.30 3.20 -1.95 -3.43 116.97 125.11 1h4i h TYR 66 Ca -0.24 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 61.04 1h4i h TYR 66 Cb 1.10 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 39.26 1h4i h TYR 66 CO 0.47 0.63 0.74 0.34 -1.64 0.00 0.00 178.16 178.70 1h4i s ASP 67 N -6.45 6.33 0.36 -2.11 -1.08 -1.26 -4.88 116.67 107.58 1h4i s ASP 67 Ca 0.03 -0.31 0.07 0.00 -0.52 0.00 0.00 52.55 51.81 1h4i s ASP 67 Cb 0.08 -2.48 0.78 0.00 -1.46 0.00 0.00 42.92 39.84 1h4i s ASP 67 CO 0.77 -1.41 1.93 0.58 0.52 0.00 0.00 175.17 177.57 1h4i h VAL 68 N 6.05 0.96 0.00 1.11 2.07 -1.93 -0.66 116.25 123.85 1h4i h VAL 68 Ca -0.26 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1h4i h VAL 68 Cb 1.07 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1h4i h VAL 68 CO 1.15 0.13 0.00 0.00 0.02 0.00 0.00 177.57 178.87 1h4i h ALA 69 N 1.60 1.00 -0.47 1.67 0.00 -1.98 -1.43 119.26 119.66 1h4i h ALA 69 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1h4i h ALA 69 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1h4i h ALA 69 CO -0.13 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.75 1h4i n LYS 70 N -2.55 2.40 -3.78 0.00 5.02 -0.26 -4.94 118.16 114.05 1h4i n LYS 70 Ca 0.01 -2.15 -0.36 0.00 -2.02 0.00 0.00 58.31 53.80 1h4i n LYS 70 Cb 0.23 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.38 5.35 0.00 -0.18 1.01 -0.54 -4.57 121.20 120.89 1h4i s ILE 71 Ca 0.40 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1h4i s ILE 71 Cb 0.22 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1h4i s ILE 71 CO 0.30 0.49 0.00 -1.20 0.00 0.00 0.00 174.94 174.53 1h4i n SER 72 N 1.54 0.00 0.00 3.58 7.64 -1.26 -5.05 113.62 120.08 1h4i n SER 72 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 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