#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4j n ASP 2 N 0.00 0.94 0.00 2.98 5.75 -1.26 -5.01 116.55 119.95 1h4j n ASP 2 Ca 0.00 -1.44 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 1h4j n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1h4j n ASP 2 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h4j n GLY 3 N -0.22 0.53 0.14 6.12 0.00 -1.26 -4.90 105.19 105.60 1h4j n GLY 3 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1h4j n GLY 3 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1h4j h THR 4 N 0.00 0.68 -3.33 2.61 1.35 -1.95 -3.45 112.91 108.83 1h4j h THR 4 Ca 0.00 -2.01 -0.65 0.00 -0.55 0.00 0.00 66.41 63.20 1h4j h THR 4 Cb 0.10 2.28 -0.27 0.00 -1.73 0.00 0.00 68.15 68.54 1h4j h THR 4 CO 0.00 0.39 -0.74 -1.59 -0.25 0.00 0.00 175.52 173.33 1h4j s LYS 5 N -3.00 3.41 -0.22 4.72 -2.85 -1.26 -5.08 119.74 115.46 1h4j s LYS 5 Ca 0.03 -0.65 -0.05 0.00 -1.00 0.00 0.00 55.97 54.30 1h4j s LYS 5 Cb 0.08 -2.79 -0.02 0.00 -2.06 0.00 0.00 37.83 33.04 1h4j s LYS 5 CO 0.75 0.07 -0.01 0.00 0.10 0.00 0.00 175.35 176.27 1h4j h LYS 7 N 7.95 0.40 -2.41 0.00 1.57 -1.61 -3.45 116.57 119.02 1h4j h LYS 7 Ca -0.39 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.52 1h4j h LYS 7 Cb 1.17 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.30 1h4j h LYS 7 CO 0.60 0.27 0.46 0.00 -0.57 0.00 0.00 179.45 180.20 1h4j s ALA 8 N -5.45 -1.63 -0.02 3.86 0.00 -1.12 -5.05 121.76 112.35 1h4j s ALA 8 Ca -0.08 0.20 -0.35 0.00 0.00 0.00 0.00 51.96 51.72 1h4j s ALA 8 Cb 0.23 0.64 -0.14 0.00 0.00 0.00 0.00 23.12 23.85 1h4j s ALA 8 CO 0.79 -1.00 1.68 0.00 0.00 0.00 0.00 175.76 177.24 1h4j n ALA 9 N -0.44 0.58 -0.98 0.00 0.00 -1.26 -0.48 120.51 117.93 1h4j n ALA 9 Ca -0.06 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1h4j n ALA 9 Cb 0.61 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1h4j n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4j n GLY 10 N 3.78 0.53 2.66 0.00 0.00 -1.26 -4.98 105.19 105.93 1h4j n GLY 10 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1h4j n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h4j s ASN 11 N -2.19 3.79 -0.04 1.61 3.84 0.37 -4.98 114.94 117.34 1h4j s ASN 11 Ca 0.00 -1.71 0.06 0.00 0.21 0.00 0.00 52.86 51.42 1h4j s ASN 11 Cb 0.00 -0.73 0.08 0.00 -0.55 0.00 0.00 41.25 40.06 1h4j s ASN 11 CO 0.00 -0.40 0.96 0.00 -2.79 0.00 0.00 177.10 174.88 1h4j s TRP 13 N -1.29 3.39 0.04 0.00 -0.00 -1.26 -4.64 118.94 115.19 1h4j s TRP 13 Ca 0.09 1.38 0.04 0.00 -0.00 0.00 0.00 56.10 57.62 1h4j s TRP 13 Cb 0.08 -3.47 -0.02 0.00 -0.00 0.00 0.00 33.47 30.06 1h4j s TRP 13 CO 0.01 -1.34 -0.12 -1.21 -0.00 0.00 0.00 176.95 174.29 1h4j s GLU 14 N -0.22 0.77 0.44 5.86 2.02 -1.26 -4.93 118.70 121.39 1h4j s GLU 14 Ca 0.54 -0.75 -0.22 0.00 0.02 0.00 0.00 54.97 54.55 1h4j s GLU 14 Cb -0.33 -0.72 -0.09 0.00 0.10 0.00 0.00 34.13 33.09 1h4j s GLU 14 CO 0.37 0.17 1.05 -1.25 0.02 0.00 0.00 175.26 175.62 1h4j s PRO 15 N -1.28 3.97 0.50 0.39 0.04 -1.26 -4.86 135.00 132.50 1h4j s PRO 15 Ca -0.02 1.44 -0.19 0.00 0.04 0.00 0.00 61.00 62.28 1h4j s PRO 15 Cb -0.08 -2.32 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 1h4j s PRO 15 CO 0.01 -0.30 1.03 0.15 0.04 0.00 0.00 177.00 177.93 1h4j s LYS 16 N -2.87 3.77 -0.48 4.56 1.02 -1.26 -4.67 119.74 119.81 1h4j s LYS 16 Ca 0.63 1.25 -0.45 0.00 0.02 0.00 0.00 55.97 57.42 1h4j s LYS 16 Cb -0.19 -2.10 -0.19 0.00 -0.52 0.00 0.00 37.83 34.83 1h4j s LYS 16 CO 0.24 -0.44 1.84 -2.30 -0.92 0.00 0.00 175.35 173.77 1h4j n PRO 17 N -1.21 0.13 -0.16 -1.68 -0.02 -1.26 -0.76 135.00 130.04 1h4j n PRO 17 Ca 0.09 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1h4j n PRO 17 Cb 0.53 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1h4j n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h4j n GLY 18 N 5.47 0.74 3.40 -1.23 0.00 -1.26 -5.08 105.19 107.23 1h4j n GLY 18 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 1h4j n GLY 18 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h4j s PHE 19 N -2.17 2.45 0.80 1.61 0.40 0.06 -5.12 117.98 116.00 1h4j s PHE 19 Ca 0.00 -0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 55.87 1h4j s PHE 19 Cb 0.00 -1.44 0.08 0.00 0.51 0.00 0.00 43.02 42.17 1h4j s PHE 19 CO 0.00 0.19 1.17 -1.25 0.70 0.00 0.00 175.22 176.03 1h4j s PRO 20 N -1.30 1.77 0.40 0.24 0.04 -1.26 -4.63 135.00 130.26 1h4j s PRO 20 Ca 0.13 1.62 0.23 0.00 0.04 0.00 0.00 61.00 63.01 1h4j s PRO 20 Cb -0.10 -1.80 0.28 0.00 0.04 0.00 0.00 34.50 32.92 1h4j s PRO 20 CO 0.03 -2.09 1.53 1.49 0.04 0.00 0.00 177.00 178.00 1h4j h GLU 21 N -0.94 0.00 -3.42 4.56 4.81 -1.98 -3.43 114.58 114.19 1h4j h GLU 21 Ca -0.46 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.35 1h4j h GLU 21 Cb 1.28 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 30.27 1h4j h GLU 21 CO 0.47 0.01 -0.75 0.15 -0.73 0.00 0.00 179.01 178.16 1h4j s LYS 22 N -3.22 0.24 0.00 1.92 1.02 -1.26 -5.00 119.74 113.44 1h4j s LYS 22 Ca 0.06 0.14 0.25 0.00 0.02 0.00 0.00 55.97 56.44 1h4j s LYS 22 Cb 0.06 -1.04 1.31 0.00 -0.52 0.00 0.00 37.83 37.64 1h4j s LYS 22 CO 0.69 -0.41 1.86 0.44 -0.92 0.00 0.00 175.35 177.01 1h4j n ILE 23 N 5.22 0.17 -1.73 2.17 -5.35 -1.26 -4.68 119.36 113.90 1h4j n ILE 23 Ca -0.06 0.04 -0.42 0.00 -0.27 0.00 0.00 62.75 62.04 1h4j n ILE 23 Cb 0.50 -0.63 -0.02 0.00 -1.74 0.00 0.00 39.64 37.75 1h4j n ILE 23 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h4j n ALA 24 N -1.25 2.32 -0.90 -1.28 0.00 -1.26 -1.14 120.51 117.01 1h4j n ALA 24 Ca 0.13 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1h4j n ALA 24 Cb 0.19 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.20 1h4j n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4j n GLY 25 N 2.14 0.12 4.01 0.00 0.00 -1.26 -4.96 105.19 105.24 1h4j n GLY 25 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1h4j n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h4j s SER 26 N -2.05 5.11 0.60 1.61 1.04 -0.29 -4.95 113.70 114.77 1h4j s SER 26 Ca 0.00 -0.55 0.29 0.00 0.48 0.00 0.00 55.95 56.17 1h4j s SER 26 Cb 0.00 -0.14 1.53 0.00 0.10 0.00 0.00 66.02 67.51 1h4j s SER 26 CO 0.00 -1.28 1.94 0.50 0.98 0.00 0.00 173.24 175.38 1h4j h LYS 27 N 0.14 0.00 -0.45 4.02 3.64 -1.93 -1.37 116.57 120.62 1h4j h LYS 27 Ca -0.35 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1h4j h LYS 27 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1h4j h LYS 27 CO 0.43 0.00 0.02 0.66 -2.27 0.00 0.00 179.45 178.29 1h4j n TYR 28 N -3.59 1.63 -2.35 1.91 4.01 -1.26 -4.99 117.16 112.52 1h4j n TYR 28 Ca 0.05 -0.85 -0.43 0.00 -0.16 0.00 0.00 57.90 56.51 1h4j n TYR 28 Cb 0.55 -0.45 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 1h4j n TYR 28 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1h4j s ASP 29 N -1.33 6.88 0.29 7.72 -1.08 -0.52 -4.92 116.67 123.71 1h4j s ASP 29 Ca 0.49 1.75 -0.01 0.00 -0.52 0.00 0.00 52.55 54.26 1h4j s ASP 29 Cb 0.39 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.76 1h4j s ASP 29 CO 0.12 -0.81 1.92 -0.65 0.52 0.00 0.00 175.17 176.27 1h4j h PRO 30 N 8.52 1.09 -5.43 4.34 0.11 -1.91 -3.47 132.00 135.25 1h4j h PRO 30 Ca -0.28 -0.07 -0.33 0.00 0.11 0.00 0.00 66.00 65.43 1h4j h PRO 30 Cb 1.11 -0.25 0.15 0.00 0.11 0.00 0.00 31.00 32.13 1h4j h PRO 30 CO 0.97 0.72 -0.69 1.63 -0.21 0.00 0.00 178.00 180.43 1h4j n LYS 31 N -4.46 -6.56 -2.13 1.05 4.76 -1.26 -4.93 118.16 104.63 1h4j n LYS 31 Ca 0.13 0.78 -0.41 0.00 -2.87 0.00 0.00 58.31 55.94 1h4j n LYS 31 Cb 0.13 -5.64 -0.02 0.00 -1.84 0.00 0.00 35.03 27.66 1h4j n LYS 31 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1h4j s HIS 32 N -3.32 3.12 -0.44 2.13 3.76 -1.26 -4.98 115.29 114.29 1h4j s HIS 32 Ca 0.17 1.26 -0.25 0.00 -0.15 0.00 0.00 55.06 56.09 1h4j s HIS 32 Cb -0.07 -3.68 0.02 0.00 1.11 0.00 0.00 32.58 29.96 1h4j s HIS 32 CO 0.68 -2.04 0.89 0.34 -0.85 0.00 0.00 174.74 173.77 1h4j s ASP 33 N -0.03 6.50 0.60 1.40 2.15 -1.26 -4.91 116.67 121.13 1h4j s ASP 33 Ca 0.54 0.14 0.28 0.00 0.43 0.00 0.00 52.55 53.94 1h4j s ASP 33 Cb -0.39 -2.44 1.44 0.00 -0.30 0.00 0.00 42.92 41.23 1h4j s ASP 33 CO 0.45 -0.99 1.85 1.55 -0.17 0.00 0.00 175.17 177.86 1h4j h PRO 34 N 8.97 0.00 -0.97 4.34 0.13 -1.98 0.70 132.00 143.19 1h4j h PRO 34 Ca -0.24 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.93 1h4j h PRO 34 Cb 1.08 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 1h4j h PRO 34 CO 1.01 0.00 0.63 -0.22 -0.23 0.00 0.00 178.00 179.19 1h4j h LYS 35 N 0.00 1.17 0.02 0.86 3.64 -2.00 -2.50 116.57 117.77 1h4j h LYS 35 Ca 0.20 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1h4j h LYS 35 Cb 1.24 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1h4j h LYS 35 CO -0.00 0.77 -0.32 0.93 -2.27 0.00 0.00 179.45 178.56 1h4j h GLU 36 N 1.20 0.18 -0.00 1.90 4.39 -0.03 -3.30 114.58 118.93 1h4j h GLU 36 Ca 0.39 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1h4j h GLU 36 Cb 0.04 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1h4j h GLU 36 CO -0.13 1.00 0.21 -0.07 -1.16 0.00 0.00 179.01 178.85 1h4j h LEU 37 N -0.53 0.00 -1.68 1.33 3.38 -1.17 -1.70 115.31 114.94 1h4j h LEU 37 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1h4j h LEU 37 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1h4j h LEU 37 CO 0.06 0.00 -0.11 0.59 0.09 0.00 0.00 178.44 179.07 1h4j n ASN 38 N -2.96 2.72 -0.16 -0.43 3.02 -0.95 -4.48 115.26 112.01 1h4j n ASN 38 Ca -0.02 -1.86 -0.07 0.00 -0.03 0.00 0.00 54.58 52.60 1h4j n ASN 38 Cb 0.27 0.12 0.02 0.00 -0.61 0.00 0.00 39.78 39.58 1h4j n ASN 38 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1h4j h LYS 39 N 4.05 0.62 -0.51 3.52 1.57 -1.41 -3.03 116.57 121.38 1h4j h LYS 39 Ca 0.00 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1h4j h LYS 39 Cb 0.92 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 1h4j h LYS 39 CO 0.00 0.41 0.19 1.96 -0.57 0.00 0.00 179.45 181.44 1h4j h GLN 40 N 0.64 0.36 -0.55 3.15 4.20 -1.78 -1.58 115.11 119.54 1h4j h GLN 40 Ca 0.18 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1h4j h GLN 40 Cb -0.06 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1h4j h GLN 40 CO -0.05 0.24 0.36 0.00 -0.67 0.00 0.00 178.83 178.71 1h4j h ALA 41 N 1.34 0.71 -0.48 3.87 0.00 -1.82 -1.96 119.26 120.91 1h4j h ALA 41 Ca 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1h4j h ALA 41 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1h4j h ALA 41 CO -0.24 0.11 0.17 -0.44 0.00 0.00 0.00 179.25 178.85 1h4j h ASP 42 N 0.72 0.68 -0.80 0.00 3.32 -1.39 -0.89 116.42 118.06 1h4j h ASP 42 Ca 0.21 -0.19 0.17 0.00 0.02 0.00 0.00 57.03 57.25 1h4j h ASP 42 Cb -0.05 -0.18 -0.11 0.00 0.22 0.00 0.00 39.33 39.21 1h4j h ASP 42 CO -0.06 0.69 0.28 -1.28 -1.72 0.00 0.00 179.24 177.14 1h4j h SER 43 N 0.64 0.18 -0.10 6.45 0.87 -0.81 -0.18 113.55 120.61 1h4j h SER 43 Ca 0.16 0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.78 1h4j h SER 43 Cb 0.23 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1h4j h SER 43 CO -0.01 0.01 -0.24 0.40 -0.53 0.00 0.00 176.83 176.47 1h4j h ILE 44 N 0.36 1.40 0.00 2.23 2.04 -0.87 -2.14 117.51 120.53 1h4j h ILE 44 Ca 0.46 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1h4j h ILE 44 Cb 0.80 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1h4j h ILE 44 CO -0.49 0.45 0.00 0.07 0.00 0.00 0.00 178.15 178.18 1h4j h LYS 45 N -0.13 0.00 -0.30 2.37 2.10 -0.10 0.34 116.57 120.85 1h4j h LYS 45 Ca -0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1h4j h LYS 45 Cb 0.84 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.16 1h4j h LYS 45 CO 0.05 0.00 -0.03 1.96 -2.00 0.00 0.00 179.45 179.43 1h4j h GLN 46 N 0.00 0.56 -0.69 0.07 4.20 -1.06 -1.27 115.11 116.92 1h4j h GLN 46 Ca 0.00 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1h4j h GLN 46 Cb 0.57 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1h4j h GLN 46 CO 0.00 0.72 0.42 0.52 -0.67 0.00 0.00 178.83 179.81 1h4j h MET 47 N 0.34 0.94 -0.53 1.46 2.86 -0.59 -0.60 114.93 118.80 1h4j h MET 47 Ca 0.08 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1h4j h MET 47 Cb 0.48 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1h4j h MET 47 CO 0.02 0.67 0.11 0.93 1.06 0.00 0.00 176.91 179.69 1h4j h GLU 48 N 0.94 0.82 -0.07 1.72 5.08 -0.91 -0.38 114.58 121.78 1h4j h GLU 48 Ca 0.25 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1h4j h GLU 48 Cb -0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1h4j h GLU 48 CO -0.05 0.75 0.03 1.49 -1.00 0.00 0.00 179.01 180.24 1h4j h GLU 49 N 0.78 0.10 -0.12 2.33 4.22 -0.47 -0.26 114.58 121.16 1h4j h GLU 49 Ca 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.59 1h4j h GLU 49 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1h4j h GLU 49 CO 0.00 0.20 0.05 0.00 -2.18 0.00 0.00 179.01 177.08 1h4j h ARG 50 N -0.02 0.17 -0.95 1.92 3.08 -0.86 -2.56 114.38 115.16 1h4j h ARG 50 Ca 0.02 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1h4j h ARG 50 Cb 0.13 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 1h4j h ARG 50 CO -0.00 0.25 0.61 -0.91 -1.07 0.00 0.00 179.97 178.85 1h4j h ASN 51 N 0.05 0.99 -0.36 7.04 2.35 -1.02 -0.22 115.58 124.41 1h4j h ASN 51 Ca 0.04 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.87 1h4j h ASN 51 Cb 0.14 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.24 1h4j h ASN 51 CO -0.00 0.65 -0.06 0.50 -1.65 0.00 0.00 177.43 176.86 1h4j h LYS 52 N 1.13 0.03 -0.21 0.81 1.63 -0.75 0.11 116.57 119.33 1h4j h LYS 52 Ca 0.40 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1h4j h LYS 52 Cb 0.11 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1h4j h LYS 52 CO -0.15 0.02 0.12 0.87 -3.45 0.00 0.00 179.45 176.85 1h4j h LYS 53 N 0.03 0.29 -0.22 1.90 1.57 -0.86 -0.93 116.57 118.35 1h4j h LYS 53 Ca 0.18 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1h4j h LYS 53 Cb 0.26 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1h4j h LYS 53 CO -0.35 0.27 0.08 0.00 -0.57 0.00 0.00 179.45 178.88 1h4j h ARG 54 N 0.23 0.18 -0.03 3.15 3.08 -0.33 -1.17 114.38 119.49 1h4j h ARG 54 Ca 0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1h4j h ARG 54 Cb 0.06 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1h4j h ARG 54 CO -0.01 0.12 0.01 0.28 -1.07 0.00 0.00 179.97 179.30 1h4j h VAL 55 N 0.19 1.16 -0.20 2.04 2.07 -0.73 -1.75 116.25 119.03 1h4j h VAL 55 Ca 0.09 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1h4j h VAL 55 Cb 0.05 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1h4j h VAL 55 CO -0.09 0.13 -0.02 -0.08 0.02 0.00 0.00 177.57 177.53 1h4j h GLU 56 N -0.15 0.03 -0.77 1.57 4.81 -1.10 -0.53 114.58 118.45 1h4j h GLU 56 Ca 0.01 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1h4j h GLU 56 Cb 0.20 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 1h4j h GLU 56 CO -0.00 0.02 0.41 -0.97 -0.73 0.00 0.00 179.01 177.74 1h4j h ASN 57 N 0.03 0.56 -0.38 1.04 -1.24 -1.15 -0.82 115.58 113.63 1h4j h ASN 57 Ca 0.09 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 1h4j h ASN 57 Cb 0.13 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1h4j h ASN 57 CO -0.18 0.32 0.23 0.15 -1.29 0.00 0.00 177.43 176.65 1h4j h PHE 58 N 0.69 0.50 0.06 0.67 3.57 -0.57 0.98 116.94 122.85 1h4j h PHE 58 Ca 0.37 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1h4j h PHE 58 Cb 0.37 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1h4j h PHE 58 CO -0.08 0.36 -0.12 0.87 -2.23 0.00 0.00 178.31 177.11 1h4j h LYS 59 N 0.49 -0.23 0.06 1.11 1.57 -0.15 0.53 116.57 119.96 1h4j h LYS 59 Ca 0.14 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1h4j h LYS 59 Cb 0.01 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1h4j h LYS 59 CO -0.02 -0.15 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.37 1h4j h LYS 60 N -0.24 -0.17 0.00 3.15 3.64 -0.95 -3.32 116.57 118.68 1h4j h LYS 60 Ca 0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1h4j h LYS 60 Cb 0.26 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1h4j h LYS 60 CO -0.07 -0.12 -0.22 1.79 -2.27 0.00 0.00 179.45 178.56 1h4j h THR 61 N -0.18 0.00 0.00 1.00 1.35 -0.83 -3.48 112.91 110.77 1h4j h THR 61 Ca -0.01 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1h4j h THR 61 Cb 0.17 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1h4j h THR 61 CO -0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 1h4j n GLY 62 N 1.15 1.89 3.37 5.82 0.00 0.19 -4.98 105.19 112.63 1h4j n GLY 62 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1h4j n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h4j s LYS 63 N -0.03 3.42 -0.05 1.61 2.20 -1.26 -5.02 119.74 120.61 1h4j s LYS 63 Ca 0.00 -0.64 -0.21 0.00 -0.36 0.00 0.00 55.97 54.75 1h4j s LYS 63 Cb 0.00 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 1h4j s LYS 63 CO 0.00 0.08 0.62 0.12 -0.36 0.00 0.00 175.35 175.81 1h4j s PHE 64 N 0.71 3.61 -0.14 4.03 5.36 -1.26 -4.25 117.98 126.04 1h4j s PHE 64 Ca -0.04 1.17 0.00 0.00 -0.96 0.00 0.00 56.93 57.10 1h4j s PHE 64 Cb -0.15 -2.68 0.02 0.00 -0.34 0.00 0.00 43.02 39.87 1h4j s PHE 64 CO 0.02 0.21 -0.12 -2.00 -1.46 0.00 0.00 175.22 171.86 1h4j s GLU 65 N 0.37 2.07 0.02 10.12 2.56 -1.26 -5.03 118.70 127.55 1h4j s GLU 65 Ca 0.33 -0.47 -0.11 0.00 0.00 0.00 0.00 54.97 54.72 1h4j s GLU 65 Cb -0.17 -1.94 -0.32 0.00 2.00 0.00 0.00 34.13 33.69 1h4j s GLU 65 CO 0.16 -0.24 0.94 -0.92 -0.56 0.00 0.00 175.26 174.65 1h4j h TYR 66 N 8.05 0.78 -2.43 5.30 3.20 -1.96 -3.44 116.97 126.46 1h4j h TYR 66 Ca -0.36 -0.57 -0.54 0.00 3.14 0.00 0.00 58.73 60.41 1h4j h TYR 66 Cb 1.14 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.34 1h4j h TYR 66 CO 0.47 1.51 1.27 0.34 -1.64 0.00 0.00 178.16 180.12 1h4j s ASP 67 N -7.38 5.68 0.47 -2.11 -1.08 -1.26 -4.84 116.67 106.15 1h4j s ASP 67 Ca -0.09 0.72 0.14 0.00 -0.52 0.00 0.00 52.55 52.80 1h4j s ASP 67 Cb 0.05 -2.53 1.12 0.00 -1.46 0.00 0.00 42.92 40.10 1h4j s ASP 67 CO 0.91 -1.98 2.07 0.58 0.52 0.00 0.00 175.17 177.26 1h4j h VAL 68 N 6.77 0.97 -0.71 1.11 2.07 -1.95 -1.83 116.25 122.69 1h4j h VAL 68 Ca -0.29 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.20 1h4j h VAL 68 Cb 1.15 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1h4j h VAL 68 CO 1.14 0.04 0.47 0.00 0.02 0.00 0.00 177.57 179.24 1h4j h ALA 69 N 1.83 1.68 -0.00 1.67 0.00 -1.98 -1.14 119.26 121.31 1h4j h ALA 69 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1h4j h ALA 69 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1h4j h ALA 69 CO -0.03 0.22 -0.10 1.63 0.00 0.00 0.00 179.25 180.97 1h4j n LYS 70 N -4.47 0.66 -3.04 0.00 5.02 -0.69 -4.83 118.16 110.80 1h4j n LYS 70 Ca 0.10 -0.21 -0.38 0.00 -2.02 0.00 0.00 58.31 55.79 1h4j n LYS 70 Cb 0.20 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 1h4j n LYS 70 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1h4j s ILE 71 N -2.49 4.46 -1.03 -0.18 1.01 -0.43 -5.10 121.20 117.44 1h4j s ILE 71 Ca 0.29 1.54 0.08 0.00 0.00 0.00 0.00 60.65 62.56 1h4j s ILE 71 Cb 0.20 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.70 1h4j s ILE 71 CO 0.48 0.44 0.76 -1.20 0.00 0.00 0.00 174.94 175.42