#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe4 s PRO 2 N 0.00 3.42 -0.28 3.17 0.02 -1.25 -4.78 135.00 135.30 1fe4 s PRO 2 Ca 0.00 2.21 -0.02 0.00 0.02 0.00 0.00 61.00 63.21 1fe4 s PRO 2 Cb 0.00 -2.41 0.04 0.00 0.02 0.00 0.00 34.50 32.15 1fe4 s PRO 2 CO 0.00 -0.96 -0.03 0.15 -0.33 0.00 0.00 177.00 175.84 1fe4 s LYS 3 N -2.71 2.57 0.15 5.54 1.02 -1.26 -2.42 119.74 122.63 1fe4 s LYS 3 Ca 0.67 -1.16 0.04 0.00 0.02 0.00 0.00 55.97 55.53 1fe4 s LYS 3 Cb -0.39 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1fe4 s LYS 3 CO 0.48 -0.54 0.19 -1.01 -0.92 0.00 0.00 175.35 173.55 1fe4 s HIS 4 N 1.27 3.29 -0.05 3.18 3.76 -0.05 -1.64 115.29 125.05 1fe4 s HIS 4 Ca -0.03 0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.94 1fe4 s HIS 4 Cb -0.19 -1.58 0.01 0.00 1.11 0.00 0.00 32.58 31.93 1fe4 s HIS 4 CO -0.02 0.52 -0.10 -1.21 -0.85 0.00 0.00 174.74 173.07 1fe4 s GLU 5 N -3.11 1.39 0.16 1.40 2.02 -0.47 -1.18 118.70 118.91 1fe4 s GLU 5 Ca 0.32 -0.34 0.08 0.00 0.02 0.00 0.00 54.97 55.05 1fe4 s GLU 5 Cb -0.11 -1.21 -0.04 0.00 0.10 0.00 0.00 34.13 32.88 1fe4 s GLU 5 CO 0.25 0.03 -0.18 -0.06 0.02 0.00 0.00 175.26 175.33 1fe4 s PHE 6 N 0.59 1.76 -0.20 1.61 0.40 0.13 -0.53 117.98 121.75 1fe4 s PHE 6 Ca -0.11 -0.48 -0.08 0.00 -0.60 0.00 0.00 56.93 55.66 1fe4 s PHE 6 Cb -0.14 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.46 1fe4 s PHE 6 CO 0.02 0.30 0.08 0.45 0.70 0.00 0.00 175.22 176.77 1fe4 s SER 7 N -2.63 5.64 -0.06 1.36 0.15 -0.19 -1.33 113.70 116.66 1fe4 s SER 7 Ca 0.15 0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.83 1fe4 s SER 7 Cb -0.06 -1.98 0.03 0.00 -1.71 0.00 0.00 66.02 62.30 1fe4 s SER 7 CO 0.06 0.13 0.02 -0.69 1.20 0.00 0.00 173.24 173.96 1fe4 s VAL 8 N 0.64 0.22 -1.38 4.45 1.01 -0.86 -1.94 120.40 122.53 1fe4 s VAL 8 Ca 0.04 0.19 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 1fe4 s VAL 8 Cb -0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1fe4 s VAL 8 CO 0.01 0.22 2.34 -0.90 0.00 0.00 0.00 175.10 176.77 1fe4 n ASP 9 N 4.99 4.77 -4.75 3.32 5.75 -1.12 -4.41 116.55 125.10 1fe4 n ASP 9 Ca -0.10 -2.74 -0.40 0.00 -0.01 0.00 0.00 54.79 51.54 1fe4 n ASP 9 Cb 0.50 -1.54 -0.05 0.00 -1.03 0.00 0.00 41.12 39.00 1fe4 n ASP 9 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1fe4 s MET 10 N 3.23 4.77 -0.00 0.11 -1.94 -1.26 -4.84 119.30 119.37 1fe4 s MET 10 Ca 0.53 1.55 0.04 0.00 -1.71 0.00 0.00 55.69 56.09 1fe4 s MET 10 Cb 0.15 -3.29 -0.05 0.00 2.01 0.00 0.00 34.83 33.65 1fe4 s MET 10 CO -0.05 0.38 0.12 0.25 -0.01 0.00 0.00 175.02 175.71 1fe4 n THR 11 N 1.78 0.00 -4.08 2.05 -2.24 -1.26 -4.83 114.28 105.69 1fe4 n THR 11 Ca -0.01 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 1fe4 n THR 11 Cb 0.47 0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 1fe4 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fe4 h GLY 13 N 2.27 0.57 1.63 0.00 0.00 -2.00 -1.10 103.07 104.44 1fe4 h GLY 13 Ca -0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1fe4 h GLY 13 CO 0.40 0.18 0.02 -1.33 0.00 0.00 0.00 176.54 175.82 1fe4 h GLY 14 N 0.52 0.50 0.98 4.60 0.00 -1.99 -1.50 103.07 106.18 1fe4 h GLY 14 Ca 0.18 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1fe4 h GLY 14 CO -0.04 0.26 0.15 0.00 0.00 0.00 0.00 176.54 176.90 1fe4 h ALA 16 N 1.02 0.88 -0.83 0.00 0.00 -1.24 -2.57 119.26 116.52 1fe4 h ALA 16 Ca 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1fe4 h ALA 16 Cb 0.30 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1fe4 h ALA 16 CO -0.00 0.64 0.43 0.93 0.00 0.00 0.00 179.25 181.25 1fe4 h GLU 17 N 1.02 1.16 -0.40 0.00 5.08 -1.14 -1.88 114.58 118.42 1fe4 h GLU 17 Ca 0.20 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1fe4 h GLU 17 Cb 0.44 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1fe4 h GLU 17 CO 0.01 0.87 -0.08 0.00 -1.00 0.00 0.00 179.01 178.81 1fe4 h ALA 18 N 1.23 1.10 -0.62 3.43 0.00 -1.26 -1.46 119.26 121.69 1fe4 h ALA 18 Ca 0.29 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1fe4 h ALA 18 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1fe4 h ALA 18 CO -0.04 0.56 0.11 0.28 0.00 0.00 0.00 179.25 180.16 1fe4 h VAL 19 N 0.64 1.26 -0.57 0.00 2.07 -1.12 -2.62 116.25 115.92 1fe4 h VAL 19 Ca 0.12 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1fe4 h VAL 19 Cb 0.52 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1fe4 h VAL 19 CO 0.03 0.37 0.33 -1.28 0.02 0.00 0.00 177.57 177.03 1fe4 h SER 20 N 0.92 0.69 -0.57 0.57 0.87 -0.93 -2.59 113.55 112.52 1fe4 h SER 20 Ca 0.19 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1fe4 h SER 20 Cb 0.41 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1fe4 h SER 20 CO 0.01 0.57 0.28 0.03 -0.53 0.00 0.00 176.83 177.19 1fe4 h ARG 21 N 0.76 0.81 -0.10 2.24 3.08 -1.07 -0.54 114.38 119.57 1fe4 h ARG 21 Ca 0.20 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1fe4 h ARG 21 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1fe4 h ARG 21 CO -0.04 0.66 -0.40 -0.39 -1.07 0.00 0.00 179.97 178.73 1fe4 h VAL 22 N 0.77 1.31 -0.07 2.04 -1.51 -1.39 -1.79 116.25 115.61 1fe4 h VAL 22 Ca 0.20 -1.49 -0.22 0.00 -1.23 0.00 0.00 66.70 63.95 1fe4 h VAL 22 Cb 0.11 1.68 0.01 0.00 -2.13 0.00 0.00 31.29 30.96 1fe4 h VAL 22 CO -0.03 0.44 -0.86 -0.07 -1.23 0.00 0.00 177.57 175.83 1fe4 h LEU 23 N 0.17 0.72 -1.16 4.19 3.38 -1.24 -2.69 115.31 118.69 1fe4 h LEU 23 Ca 0.02 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 1fe4 h LEU 23 Cb 0.79 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1fe4 h LEU 23 CO 0.06 1.31 0.09 0.78 0.09 0.00 0.00 178.44 180.77 1fe4 h ASN 24 N 0.37 0.63 -0.21 -0.43 -0.26 -0.91 -2.19 115.58 112.58 1fe4 h ASN 24 Ca -0.07 -0.11 -0.11 0.00 -0.56 0.00 0.00 56.30 55.46 1fe4 h ASN 24 Cb 1.48 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 38.56 1fe4 h ASN 24 CO 0.16 0.64 -0.22 0.50 -1.06 0.00 0.00 177.43 177.45 1fe4 h LYS 25 N 0.66 0.66 -0.07 0.81 3.64 -1.23 -3.15 116.57 117.89 1fe4 h LYS 25 Ca 0.15 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1fe4 h LYS 25 Cb 0.27 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1fe4 h LYS 25 CO -0.00 0.83 -0.07 1.25 -2.27 0.00 0.00 179.45 179.19 1fe4 h LEU 26 N 0.59 0.19 0.00 5.20 5.85 -1.13 -3.50 115.31 122.50 1fe4 h LEU 26 Ca 0.09 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1fe4 h LEU 26 Cb 0.69 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1fe4 h LEU 26 CO 0.05 0.63 0.00 0.61 -0.34 0.00 0.00 178.44 179.40 1fe4 n GLY 27 N 0.21 -1.52 3.06 3.75 0.00 -0.86 -4.97 105.19 104.86 1fe4 n GLY 27 Ca -0.07 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 1fe4 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fe4 n GLY 28 N -1.89 -0.42 3.04 -0.02 0.00 -1.26 -5.01 105.19 99.63 1fe4 n GLY 28 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1fe4 n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fe4 s VAL 29 N -3.18 0.28 -0.24 1.61 -7.23 -1.26 -4.39 120.40 106.00 1fe4 s VAL 29 Ca 0.36 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 1fe4 s VAL 29 Cb -0.16 -0.71 0.06 0.00 0.56 0.00 0.00 36.38 36.13 1fe4 s VAL 29 CO 0.44 -0.60 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.07 1fe4 s LYS 30 N -2.18 1.34 0.27 4.82 1.02 -0.87 -5.00 119.74 119.14 1fe4 s LYS 30 Ca -0.08 -0.91 0.08 0.00 0.02 0.00 0.00 55.97 55.08 1fe4 s LYS 30 Cb -0.05 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.73 1fe4 s LYS 30 CO -0.03 -0.65 -0.12 1.52 -0.92 0.00 0.00 175.35 175.16 1fe4 s TYR 31 N 1.49 2.04 -0.03 3.18 1.13 -1.26 -0.99 117.35 122.91 1fe4 s TYR 31 Ca -0.03 -0.56 -0.00 0.00 -1.41 0.00 0.00 57.07 55.07 1fe4 s TYR 31 Cb -0.18 -1.05 0.03 0.00 -1.10 0.00 0.00 41.96 39.65 1fe4 s TYR 31 CO -0.08 0.44 0.03 0.34 -2.51 0.00 0.00 175.55 173.77 1fe4 s ASP 32 N -3.45 0.32 -0.18 -0.18 -1.08 -0.39 -5.00 116.67 106.70 1fe4 s ASP 32 Ca 0.28 0.03 -0.02 0.00 -0.52 0.00 0.00 52.55 52.32 1fe4 s ASP 32 Cb 0.01 -0.11 -0.01 0.00 -1.46 0.00 0.00 42.92 41.34 1fe4 s ASP 32 CO 0.12 -0.14 -0.08 -0.63 0.52 0.00 0.00 175.17 174.96 1fe4 s ILE 33 N 1.25 3.27 -0.59 4.11 1.01 -1.26 -1.30 121.20 127.69 1fe4 s ILE 33 Ca -0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 1fe4 s ILE 33 Cb -0.13 -2.44 0.15 0.00 0.01 0.00 0.00 42.46 40.05 1fe4 s ILE 33 CO -0.03 0.47 0.40 -0.62 0.00 0.00 0.00 174.94 175.16 1fe4 s ASP 34 N 0.95 5.23 0.11 3.58 -1.08 -0.23 -5.00 116.67 120.23 1fe4 s ASP 34 Ca -0.01 -2.73 -0.28 0.00 -0.52 0.00 0.00 52.55 49.01 1fe4 s ASP 34 Cb -0.15 -1.85 -0.09 0.00 -1.46 0.00 0.00 42.92 39.37 1fe4 s ASP 34 CO 0.00 -0.39 1.63 0.25 0.52 0.00 0.00 175.17 177.18 1fe4 h LEU 35 N 7.18 -0.79 -1.27 -1.34 5.85 -1.97 -1.75 115.31 121.22 1fe4 h LEU 35 Ca -0.03 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.91 1fe4 h LEU 35 Cb 0.97 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 1fe4 h LEU 35 CO 0.71 -0.38 0.57 -0.65 -0.34 0.00 0.00 178.44 178.36 1fe4 h PRO 36 N -0.52 0.70 -0.51 5.25 0.11 -1.94 -2.08 132.00 133.02 1fe4 h PRO 36 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1fe4 h PRO 36 Cb 0.53 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1fe4 h PRO 36 CO -0.14 0.46 0.00 0.09 -0.21 0.00 0.00 178.00 178.20 1fe4 n ASN 37 N -4.56 3.32 -3.85 -2.05 3.02 -1.14 -4.98 115.26 105.01 1fe4 n ASN 37 Ca 0.17 -1.97 -0.24 0.00 -0.03 0.00 0.00 54.58 52.51 1fe4 n ASN 37 Cb 0.45 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1fe4 n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1fe4 n LYS 38 N 1.35 -3.95 -4.28 3.52 5.02 -0.70 -4.96 118.16 114.16 1fe4 n LYS 38 Ca 0.20 0.49 -0.18 0.00 -2.02 0.00 0.00 58.31 56.80 1fe4 n LYS 38 Cb 0.55 -4.80 -0.13 0.00 -0.02 0.00 0.00 35.03 30.63 1fe4 n LYS 38 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1fe4 s LYS 39 N -6.33 0.80 -0.06 1.97 2.20 -0.96 -2.04 119.74 115.32 1fe4 s LYS 39 Ca 0.01 -0.69 -0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1fe4 s LYS 39 Cb -0.01 -0.76 0.03 0.00 -1.51 0.00 0.00 37.83 35.58 1fe4 s LYS 39 CO 0.86 0.18 -0.02 0.08 -0.36 0.00 0.00 175.35 176.09 1fe4 s VAL 40 N -0.86 0.49 -0.15 4.02 1.01 -0.44 -1.06 120.40 123.41 1fe4 s VAL 40 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 1fe4 s VAL 40 Cb -0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1fe4 s VAL 40 CO 0.01 0.26 0.01 0.00 0.00 0.00 0.00 175.10 175.37 1fe4 s ILE 42 N 0.09 0.74 -0.30 0.00 1.01 -0.32 -1.27 121.20 121.16 1fe4 s ILE 42 Ca 0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1fe4 s ILE 42 Cb -0.13 -0.76 -0.00 0.00 0.01 0.00 0.00 42.46 41.58 1fe4 s ILE 42 CO 0.02 0.29 0.11 -0.70 0.00 0.00 0.00 174.94 174.65 1fe4 s GLU 43 N 1.19 3.24 0.10 2.79 2.12 -0.16 -0.87 118.70 127.11 1fe4 s GLU 43 Ca -0.06 -0.76 -0.25 0.00 0.36 0.00 0.00 54.97 54.25 1fe4 s GLU 43 Cb -0.14 -3.44 0.08 0.00 0.26 0.00 0.00 34.13 30.88 1fe4 s GLU 43 CO -0.02 -0.41 0.79 0.45 -0.54 0.00 0.00 175.26 175.54 1fe4 s SER 44 N 1.56 -0.39 0.05 -1.70 0.15 -1.01 -2.06 113.70 110.29 1fe4 s SER 44 Ca 0.04 -0.13 0.23 0.00 0.70 0.00 0.00 55.95 56.79 1fe4 s SER 44 Cb -0.17 0.51 0.19 0.00 -1.71 0.00 0.00 66.02 64.84 1fe4 s SER 44 CO 0.04 -0.86 1.17 -0.62 1.20 0.00 0.00 173.24 174.17 1fe4 n GLU 45 N -0.35 0.19 -1.91 5.44 -0.58 -1.26 -3.87 120.64 118.31 1fe4 n GLU 45 Ca -0.10 0.01 -0.38 0.00 -0.42 0.00 0.00 57.16 56.27 1fe4 n GLU 45 Cb 0.62 -1.58 0.02 0.00 -0.57 0.00 0.00 31.44 29.94 1fe4 n GLU 45 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1fe4 s HIS 46 N -3.13 2.48 0.80 -0.32 3.76 -1.26 -4.96 115.29 112.66 1fe4 s HIS 46 Ca 0.06 1.40 -0.12 0.00 -0.15 0.00 0.00 55.06 56.25 1fe4 s HIS 46 Cb 0.15 -3.71 0.08 0.00 1.11 0.00 0.00 32.58 30.21 1fe4 s HIS 46 CO 0.77 -2.54 1.16 -1.54 -0.85 0.00 0.00 174.74 171.74 1fe4 s SER 47 N -0.97 3.78 0.37 1.40 1.04 -1.26 -4.82 113.70 113.25 1fe4 s SER 47 Ca 0.67 2.21 0.04 0.00 0.48 0.00 0.00 55.95 59.35 1fe4 s SER 47 Cb -0.38 -2.57 0.72 0.00 0.10 0.00 0.00 66.02 63.89 1fe4 s SER 47 CO 0.46 -2.53 2.02 -0.03 0.98 0.00 0.00 173.24 174.14 1fe4 h MET 48 N -1.00 0.69 -0.49 4.02 4.05 -1.97 -1.79 114.93 118.44 1fe4 h MET 48 Ca -0.45 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 58.93 1fe4 h MET 48 Cb 1.27 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.89 1fe4 h MET 48 CO 0.47 0.47 0.30 -0.44 0.23 0.00 0.00 176.91 177.95 1fe4 h ASP 49 N 0.70 0.50 -0.40 1.39 3.32 -1.99 -0.27 116.42 119.67 1fe4 h ASP 49 Ca 0.19 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 1fe4 h ASP 49 Cb -0.04 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1fe4 h ASP 49 CO -0.04 0.36 -0.21 0.74 -1.72 0.00 0.00 179.24 178.37 1fe4 h THR 50 N 0.61 1.28 -0.69 0.35 2.02 -1.75 -2.10 112.91 112.63 1fe4 h THR 50 Ca 0.19 -1.35 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 1fe4 h THR 50 Cb -0.01 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1fe4 h THR 50 CO -0.07 0.45 0.16 -0.07 0.37 0.00 0.00 175.52 176.37 1fe4 h LEU 51 N 0.66 1.05 -0.24 2.58 3.38 -1.08 -1.46 115.31 120.20 1fe4 h LEU 51 Ca 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1fe4 h LEU 51 Cb 0.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1fe4 h LEU 51 CO 0.06 1.01 0.07 0.25 0.09 0.00 0.00 178.44 179.92 1fe4 h LEU 52 N 1.04 0.35 -0.78 1.67 5.85 -1.00 -2.23 115.31 120.21 1fe4 h LEU 52 Ca 0.22 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1fe4 h LEU 52 Cb 0.37 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1fe4 h LEU 52 CO 0.00 0.48 0.43 0.00 -0.34 0.00 0.00 178.44 179.01 1fe4 h ALA 53 N 0.89 1.00 -0.40 1.25 0.00 -1.26 -1.88 119.26 118.87 1fe4 h ALA 53 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1fe4 h ALA 53 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1fe4 h ALA 53 CO -0.00 0.51 0.18 1.15 0.00 0.00 0.00 179.25 181.10 1fe4 h THR 54 N 1.09 1.18 -0.52 0.00 2.02 -1.16 -2.80 112.91 112.72 1fe4 h THR 54 Ca 0.28 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 1fe4 h THR 54 Cb 0.03 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1fe4 h THR 54 CO -0.04 0.20 0.11 -0.07 0.37 0.00 0.00 175.52 176.09 1fe4 h LEU 55 N 0.50 0.75 -1.47 2.58 3.38 -1.19 -2.39 115.31 117.48 1fe4 h LEU 55 Ca 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fe4 h LEU 55 Cb 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1fe4 h LEU 55 CO -0.02 0.75 0.00 0.11 0.09 0.00 0.00 178.44 179.38 1fe4 h LYS 56 N 0.78 0.00 0.00 1.13 1.57 -1.08 -2.68 116.57 116.29 1fe4 h LYS 56 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1fe4 h LYS 56 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1fe4 h LYS 56 CO 0.00 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.75 1fe4 h LYS 57 N 0.00 0.00 0.00 3.15 1.57 -1.29 -2.30 116.57 117.70 1fe4 h LYS 57 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1fe4 h LYS 57 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1fe4 h LYS 57 CO 0.00 0.00 -0.13 1.79 -0.57 0.00 0.00 179.45 180.54 1fe4 h THR 58 N 0.00 0.34 0.00 -0.16 1.35 -1.65 -3.46 112.91 109.32 1fe4 h THR 58 Ca 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1fe4 h THR 58 Cb 0.29 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1fe4 h THR 58 CO 0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1fe4 n GLY 59 N 0.04 0.70 3.91 5.82 0.00 -0.87 -5.06 105.19 109.73 1fe4 n GLY 59 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1fe4 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fe4 s LYS 60 N -0.61 3.41 -0.10 1.61 -0.14 -1.26 -5.05 119.74 117.60 1fe4 s LYS 60 Ca 0.00 0.13 -0.28 0.00 -1.36 0.00 0.00 55.97 54.46 1fe4 s LYS 60 Cb 0.00 -2.37 -0.02 0.00 -1.68 0.00 0.00 37.83 33.77 1fe4 s LYS 60 CO 0.00 -0.29 0.95 0.99 -0.76 0.00 0.00 175.35 176.24 1fe4 s THR 61 N -2.78 4.83 -0.00 2.17 2.01 -1.26 -4.79 115.64 115.82 1fe4 s THR 61 Ca 0.48 1.93 0.05 0.00 0.31 0.00 0.00 61.69 64.47 1fe4 s THR 61 Cb -0.10 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 1fe4 s THR 61 CO 0.45 0.05 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.57 1fe4 s VAL 62 N 1.80 1.28 0.16 3.82 1.01 -1.26 -2.80 120.40 124.41 1fe4 s VAL 62 Ca 0.46 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1fe4 s VAL 62 Cb -0.18 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1fe4 s VAL 62 CO 0.18 0.31 0.12 -0.94 0.00 0.00 0.00 175.10 174.77 1fe4 s SER 63 N -0.53 0.22 -0.20 3.32 1.04 -0.82 -4.99 113.70 111.73 1fe4 s SER 63 Ca 0.06 -1.23 -0.08 0.00 0.48 0.00 0.00 55.95 55.18 1fe4 s SER 63 Cb -0.07 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1fe4 s SER 63 CO -0.00 -0.80 0.08 -0.47 0.98 0.00 0.00 173.24 173.03 1fe4 s TYR 64 N -4.08 3.23 -2.94 5.02 5.04 -1.26 -1.02 117.35 121.34 1fe4 s TYR 64 Ca 0.28 0.01 0.24 0.00 -2.44 0.00 0.00 57.07 55.17 1fe4 s TYR 64 Cb 0.07 -2.14 0.28 0.00 0.35 0.00 0.00 41.96 40.52 1fe4 s TYR 64 CO 0.05 0.05 1.31 1.28 -1.34 0.00 0.00 175.55 176.91 1fe4 n LEU 65 N 3.89 2.85 0.00 6.97 4.77 0.31 -4.91 117.00 130.88 1fe4 n LEU 65 Ca -0.16 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 1fe4 n LEU 65 Cb 0.52 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1fe4 n LEU 65 CO 0.34 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1fe4 n GLY 66 N 1.33 -3.33 3.88 -0.72 0.00 -1.18 -4.86 105.19 100.31 1fe4 n GLY 66 Ca 0.15 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1fe4 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fe4 s LEU 67 N 0.00 3.64 0.00 0.99 1.43 -1.26 -1.37 118.68 122.11 1fe4 s LEU 67 Ca 0.00 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 1fe4 s LEU 67 Cb 0.00 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 42.09 1fe4 s LEU 67 CO 0.00 -0.56 0.00 -0.62 0.23 0.00 0.00 176.35 175.40