#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe4 n PRO 2 N 0.00 2.31 -3.77 2.12 -0.02 -1.26 -4.73 135.00 129.65 1fe4 n PRO 2 Ca 0.00 0.81 -0.37 0.00 -2.02 0.00 0.00 63.50 61.92 1fe4 n PRO 2 Cb 0.00 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 30.90 1fe4 n PRO 2 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1fe4 s LYS 3 N -1.99 2.71 0.03 -0.52 2.20 -1.23 -2.48 119.74 118.46 1fe4 s LYS 3 Ca 0.55 -1.11 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 1fe4 s LYS 3 Cb -0.53 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 1fe4 s LYS 3 CO 0.62 -0.61 0.32 -1.01 -0.36 0.00 0.00 175.35 174.32 1fe4 s HIS 4 N 1.41 3.59 -0.12 4.03 3.76 0.38 -1.48 115.29 126.85 1fe4 s HIS 4 Ca -0.01 0.67 0.03 0.00 -0.15 0.00 0.00 55.06 55.60 1fe4 s HIS 4 Cb -0.19 -2.07 0.01 0.00 1.11 0.00 0.00 32.58 31.44 1fe4 s HIS 4 CO 0.02 0.58 -0.21 -1.21 -0.85 0.00 0.00 174.74 173.07 1fe4 s GLU 5 N -1.78 2.84 0.19 1.40 2.02 -0.48 -0.62 118.70 122.27 1fe4 s GLU 5 Ca 0.29 -0.79 0.08 0.00 0.02 0.00 0.00 54.97 54.57 1fe4 s GLU 5 Cb -0.14 -2.26 -0.05 0.00 0.10 0.00 0.00 34.13 31.79 1fe4 s GLU 5 CO 0.17 0.04 -0.15 -0.06 0.02 0.00 0.00 175.26 175.27 1fe4 s PHE 6 N 0.69 1.71 -0.17 1.61 0.40 -0.15 -0.82 117.98 121.25 1fe4 s PHE 6 Ca -0.11 -0.55 -0.04 0.00 -0.60 0.00 0.00 56.93 55.63 1fe4 s PHE 6 Cb -0.16 -0.81 -0.02 0.00 0.51 0.00 0.00 43.02 42.53 1fe4 s PHE 6 CO 0.02 0.34 -0.04 0.45 0.70 0.00 0.00 175.22 176.69 1fe4 s SER 7 N -3.14 4.67 -0.05 1.36 0.15 -0.23 -1.69 113.70 114.78 1fe4 s SER 7 Ca 0.20 -0.20 -0.00 0.00 0.70 0.00 0.00 55.95 56.65 1fe4 s SER 7 Cb -0.02 -1.77 0.03 0.00 -1.71 0.00 0.00 66.02 62.54 1fe4 s SER 7 CO 0.07 0.12 -0.01 -0.69 1.20 0.00 0.00 173.24 173.92 1fe4 s VAL 8 N 0.68 0.35 -1.24 4.45 1.01 -0.89 -1.90 120.40 122.85 1fe4 s VAL 8 Ca -0.02 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 1fe4 s VAL 8 Cb -0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1fe4 s VAL 8 CO 0.02 0.22 1.86 -0.67 0.00 0.00 0.00 175.10 176.53 1fe4 n ASP 9 N 4.69 3.85 -4.77 3.32 -0.08 -0.74 -4.41 116.55 118.43 1fe4 n ASP 9 Ca -0.15 -2.79 -0.36 0.00 -1.51 0.00 0.00 54.79 49.98 1fe4 n ASP 9 Cb 0.50 -1.74 -0.07 0.00 2.34 0.00 0.00 41.12 42.15 1fe4 n ASP 9 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1fe4 s MET 10 N 5.51 4.04 0.00 -0.67 -1.94 -1.26 -4.71 119.30 120.27 1fe4 s MET 10 Ca 0.62 -0.08 0.00 0.00 -1.71 0.00 0.00 55.69 54.53 1fe4 s MET 10 Cb 0.01 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.49 1fe4 s MET 10 CO 0.11 0.40 0.89 0.25 -0.01 0.00 0.00 175.02 176.67 1fe4 n THR 11 N 3.13 0.79 -3.79 2.05 -2.24 -1.26 -4.85 114.28 108.12 1fe4 n THR 11 Ca -0.16 -0.88 -0.05 0.00 -2.27 0.00 0.00 64.05 60.69 1fe4 n THR 11 Cb 0.53 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.35 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 2.00 0.68 1.71 0.00 0.00 -2.00 -1.67 103.07 103.78 1fe4 h GLY 13 Ca -0.22 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1fe4 h GLY 13 CO 0.25 0.22 0.00 -1.33 0.00 0.00 0.00 176.54 175.68 1fe4 h GLY 14 N 0.61 0.40 1.06 4.60 0.00 -1.99 -1.59 103.07 106.15 1fe4 h GLY 14 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1fe4 h GLY 14 CO -0.05 0.20 0.01 0.00 0.00 0.00 0.00 176.54 176.70 1fe4 h ALA 16 N 0.98 0.67 -0.58 0.00 0.00 -1.32 -2.69 119.26 116.31 1fe4 h ALA 16 Ca 0.16 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1fe4 h ALA 16 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1fe4 h ALA 16 CO 0.03 0.62 0.14 1.49 0.00 0.00 0.00 179.25 181.53 1fe4 h GLU 17 N 0.81 0.89 -0.73 0.00 4.81 -1.20 -2.38 114.58 116.79 1fe4 h GLU 17 Ca 0.12 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1fe4 h GLU 17 Cb 0.73 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1fe4 h GLU 17 CO 0.06 0.80 0.21 0.00 -0.73 0.00 0.00 179.01 179.34 1fe4 h ALA 18 N 1.30 0.95 -0.58 2.92 0.00 -1.24 -2.15 119.26 120.46 1fe4 h ALA 18 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1fe4 h ALA 18 Cb 0.30 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1fe4 h ALA 18 CO -0.00 0.65 0.28 0.28 0.00 0.00 0.00 179.25 180.46 1fe4 h VAL 19 N 1.09 1.21 -0.27 0.00 2.07 -1.19 -2.67 116.25 116.48 1fe4 h VAL 19 Ca 0.23 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1fe4 h VAL 19 Cb 0.33 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1fe4 h VAL 19 CO -0.00 0.24 0.03 0.77 0.02 0.00 0.00 177.57 178.62 1fe4 h SER 20 N 0.78 0.36 -0.24 0.57 4.64 -1.07 -2.73 113.55 115.87 1fe4 h SER 20 Ca 0.20 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 1fe4 h SER 20 Cb 0.12 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1fe4 h SER 20 CO -0.02 0.41 -0.23 0.03 -0.87 0.00 0.00 176.83 176.14 1fe4 h ARG 21 N 0.39 0.57 -0.03 4.77 3.08 -1.07 -1.34 114.38 120.76 1fe4 h ARG 21 Ca 0.09 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 1fe4 h ARG 21 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1fe4 h ARG 21 CO 0.00 0.89 -0.36 -0.39 -1.07 0.00 0.00 179.97 179.05 1fe4 h VAL 22 N 0.28 1.27 -0.06 2.04 -1.51 -1.38 -1.97 116.25 114.90 1fe4 h VAL 22 Ca 0.04 -1.27 -0.22 0.00 -1.23 0.00 0.00 66.70 64.02 1fe4 h VAL 22 Cb 0.78 1.64 0.01 0.00 -2.13 0.00 0.00 31.29 31.59 1fe4 h VAL 22 CO 0.06 0.37 -0.85 -0.07 -1.23 0.00 0.00 177.57 175.85 1fe4 h LEU 23 N 0.05 0.68 -1.06 4.19 3.38 -1.44 -2.72 115.31 118.40 1fe4 h LEU 23 Ca 0.00 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1fe4 h LEU 23 Cb 0.66 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1fe4 h LEU 23 CO 0.05 1.27 0.37 0.78 0.09 0.00 0.00 178.44 181.00 1fe4 h ASN 24 N 0.35 0.93 -0.49 -0.43 -0.26 -0.91 -1.82 115.58 112.95 1fe4 h ASN 24 Ca -0.07 -0.09 -0.09 0.00 -0.56 0.00 0.00 56.30 55.50 1fe4 h ASN 24 Cb 1.47 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 38.47 1fe4 h ASN 24 CO 0.16 0.77 -0.03 0.50 -1.06 0.00 0.00 177.43 177.77 1fe4 h LYS 25 N 1.03 0.89 -0.29 0.81 3.64 -1.30 -2.99 116.57 118.35 1fe4 h LYS 25 Ca 0.26 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1fe4 h LYS 25 Cb 0.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1fe4 h LYS 25 CO -0.04 0.94 0.16 1.25 -2.27 0.00 0.00 179.45 179.49 1fe4 h LEU 26 N 0.74 0.37 0.00 5.20 5.85 -1.16 -3.49 115.31 122.82 1fe4 h LEU 26 Ca 0.14 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1fe4 h LEU 26 Cb 0.55 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1fe4 h LEU 26 CO 0.03 0.36 0.00 0.61 -0.34 0.00 0.00 178.44 179.10 1fe4 n GLY 27 N -0.94 -1.66 2.82 3.75 0.00 -0.71 -4.98 105.19 103.47 1fe4 n GLY 27 Ca -0.02 -1.55 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.81 -0.19 3.05 -0.02 0.00 -1.26 -5.02 105.19 99.95 1fe4 n GLY 28 Ca 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.09 0.30 -0.10 1.61 -7.23 -1.26 -4.36 120.40 106.27 1fe4 s VAL 29 Ca 0.30 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1fe4 s VAL 29 Cb -0.13 -0.88 0.02 0.00 0.56 0.00 0.00 36.38 35.95 1fe4 s VAL 29 CO 0.37 -0.67 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.88 1fe4 s LYS 30 N -2.52 1.35 0.23 4.82 1.02 -0.94 -5.01 119.74 118.69 1fe4 s LYS 30 Ca -0.04 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 55.76 1fe4 s LYS 30 Cb -0.03 -1.41 -0.05 0.00 -0.52 0.00 0.00 37.83 35.82 1fe4 s LYS 30 CO -0.04 -0.22 0.06 1.52 -0.92 0.00 0.00 175.35 175.75 1fe4 s TYR 31 N 1.57 1.43 -0.04 3.18 -0.85 -1.26 -0.83 117.35 120.54 1fe4 s TYR 31 Ca 0.01 -1.12 -0.02 0.00 -0.52 0.00 0.00 57.07 55.43 1fe4 s TYR 31 Cb -0.13 -0.83 0.03 0.00 0.38 0.00 0.00 41.96 41.41 1fe4 s TYR 31 CO -0.06 -0.28 0.06 0.34 -1.52 0.00 0.00 175.55 174.09 1fe4 s ASP 32 N -3.26 1.09 -0.21 -0.18 3.68 -0.83 -5.01 116.67 111.95 1fe4 s ASP 32 Ca 0.33 0.09 -0.05 0.00 2.13 0.00 0.00 52.55 55.05 1fe4 s ASP 32 Cb 0.07 -0.12 -0.02 0.00 -1.45 0.00 0.00 42.92 41.40 1fe4 s ASP 32 CO 0.10 -0.25 -0.01 -0.63 0.13 0.00 0.00 175.17 174.52 1fe4 s ILE 33 N 2.13 3.80 -0.37 4.11 1.01 -1.26 -1.94 121.20 128.69 1fe4 s ILE 33 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1fe4 s ILE 33 Cb -0.12 -2.72 0.07 0.00 0.01 0.00 0.00 42.46 39.70 1fe4 s ILE 33 CO -0.03 0.42 0.14 -0.62 0.00 0.00 0.00 174.94 174.85 1fe4 s ASP 34 N 1.15 5.26 -0.01 3.58 -1.08 -0.39 -5.02 116.67 120.15 1fe4 s ASP 34 Ca 0.03 -1.51 -0.23 0.00 -0.52 0.00 0.00 52.55 50.32 1fe4 s ASP 34 Cb -0.14 -1.84 -0.15 0.00 -1.46 0.00 0.00 42.92 39.32 1fe4 s ASP 34 CO 0.01 -0.42 1.06 0.25 0.52 0.00 0.00 175.17 176.59 1fe4 h LEU 35 N 8.15 -0.38 -1.58 -1.34 5.85 -1.96 -1.96 115.31 122.10 1fe4 h LEU 35 Ca -0.20 -0.17 0.16 0.00 0.84 0.00 0.00 57.88 58.51 1fe4 h LEU 35 Cb 1.07 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1fe4 h LEU 35 CO 0.64 0.04 0.52 1.55 -0.34 0.00 0.00 178.44 180.85 1fe4 h PRO 36 N -0.89 0.40 -0.07 5.25 0.13 -1.95 -1.39 132.00 133.49 1fe4 h PRO 36 Ca -0.05 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1fe4 h PRO 36 Cb 0.53 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1fe4 h PRO 36 CO 0.08 0.26 0.00 0.09 -0.23 0.00 0.00 178.00 178.20 1fe4 n ASN 37 N -4.48 2.64 -3.67 1.44 3.02 -1.24 -4.99 115.26 107.98 1fe4 n ASN 37 Ca 0.15 -1.87 -0.22 0.00 -0.03 0.00 0.00 54.58 52.61 1fe4 n ASN 37 Cb 0.55 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.73 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 1.05 -4.24 -4.10 3.52 5.02 -0.52 -4.96 118.16 113.91 1fe4 n LYS 38 Ca 0.16 0.61 -0.14 0.00 -2.02 0.00 0.00 58.31 56.92 1fe4 n LYS 38 Cb 0.53 -5.08 -0.11 0.00 -0.02 0.00 0.00 35.03 30.35 1fe4 n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1fe4 s LYS 39 N -5.88 0.64 -0.04 1.97 1.02 -0.88 -2.10 119.74 114.46 1fe4 s LYS 39 Ca 0.09 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1fe4 s LYS 39 Cb -0.02 -0.41 0.03 0.00 -0.52 0.00 0.00 37.83 36.91 1fe4 s LYS 39 CO 0.81 0.07 0.01 0.08 -0.92 0.00 0.00 175.35 175.41 1fe4 s VAL 40 N -1.64 0.17 -0.09 3.17 1.01 -0.68 -1.27 120.40 121.07 1fe4 s VAL 40 Ca -0.05 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1fe4 s VAL 40 Cb -0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1fe4 s VAL 40 CO 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 175.10 175.22 1fe4 s ILE 42 N -0.43 0.59 -0.29 0.00 1.01 0.21 -1.96 121.20 120.33 1fe4 s ILE 42 Ca 0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.50 1fe4 s ILE 42 Cb -0.12 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1fe4 s ILE 42 CO 0.02 0.26 0.17 -1.61 0.00 0.00 0.00 174.94 173.77 1fe4 s GLU 43 N 1.20 3.69 0.06 2.79 2.02 -0.01 -0.47 118.70 127.99 1fe4 s GLU 43 Ca -0.06 -0.49 -0.27 0.00 0.02 0.00 0.00 54.97 54.17 1fe4 s GLU 43 Cb -0.14 -3.60 0.09 0.00 0.10 0.00 0.00 34.13 30.58 1fe4 s GLU 43 CO -0.02 -0.27 0.89 0.45 0.02 0.00 0.00 175.26 176.33 1fe4 s SER 44 N 1.69 -0.32 0.07 -0.19 0.15 -1.03 -2.21 113.70 111.86 1fe4 s SER 44 Ca 0.06 -0.14 0.23 0.00 0.70 0.00 0.00 55.95 56.81 1fe4 s SER 44 Cb -0.16 0.43 0.08 0.00 -1.71 0.00 0.00 66.02 64.66 1fe4 s SER 44 CO 0.08 -0.74 1.05 -0.62 1.20 0.00 0.00 173.24 174.22 1fe4 n GLU 45 N -0.33 0.32 -1.63 5.44 -0.58 -1.26 -4.02 120.64 118.58 1fe4 n GLU 45 Ca -0.08 0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.31 1fe4 n GLU 45 Cb 0.62 -1.62 0.08 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 -3.21 2.06 0.86 -0.32 3.76 -1.26 -4.96 115.29 112.21 1fe4 s HIS 46 Ca 0.03 1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 56.37 1fe4 s HIS 46 Cb 0.14 -3.62 0.11 0.00 1.11 0.00 0.00 32.58 30.32 1fe4 s HIS 46 CO 0.79 -2.83 1.11 -1.54 -0.85 0.00 0.00 174.74 171.42 1fe4 s SER 47 N -1.60 3.61 0.23 1.40 1.04 -1.26 -4.85 113.70 112.27 1fe4 s SER 47 Ca 0.80 1.89 -0.08 0.00 0.48 0.00 0.00 55.95 59.04 1fe4 s SER 47 Cb -0.35 -2.48 0.20 0.00 0.10 0.00 0.00 66.02 63.50 1fe4 s SER 47 CO 0.41 -2.62 1.87 -0.03 0.98 0.00 0.00 173.24 173.86 1fe4 h MET 48 N -1.53 1.20 -0.53 4.02 4.05 -1.98 -2.01 114.93 118.14 1fe4 h MET 48 Ca -0.45 -0.12 -0.10 0.00 -0.28 0.00 0.00 59.70 58.75 1fe4 h MET 48 Cb 1.26 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 31.79 1fe4 h MET 48 CO 0.48 0.85 -0.06 -0.44 0.23 0.00 0.00 176.91 177.97 1fe4 h ASP 49 N 1.21 0.95 -0.44 1.39 3.32 -1.99 -0.99 116.42 119.88 1fe4 h ASP 49 Ca 0.31 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1fe4 h ASP 49 Cb -0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1fe4 h ASP 49 CO -0.06 1.04 0.09 0.74 -1.72 0.00 0.00 179.24 179.34 1fe4 h THR 50 N 0.87 1.24 -0.27 0.35 2.02 -1.83 -0.99 112.91 114.30 1fe4 h THR 50 Ca 0.15 -0.84 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 1fe4 h THR 50 Cb 0.60 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1fe4 h THR 50 CO 0.04 0.30 -0.00 -0.07 0.37 0.00 0.00 175.52 176.15 1fe4 h LEU 51 N 0.58 0.47 -0.46 2.58 3.38 -1.26 -1.97 115.31 118.62 1fe4 h LEU 51 Ca 0.14 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1fe4 h LEU 51 Cb 0.34 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1fe4 h LEU 51 CO 0.00 0.67 0.27 0.25 0.09 0.00 0.00 178.44 179.72 1fe4 h LEU 52 N 0.26 0.56 -1.10 1.67 5.85 -1.11 -2.22 115.31 119.23 1fe4 h LEU 52 Ca 0.08 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1fe4 h LEU 52 Cb 0.42 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1fe4 h LEU 52 CO 0.01 0.46 0.18 0.00 -0.34 0.00 0.00 178.44 178.76 1fe4 h ALA 53 N 1.12 1.28 -0.71 1.25 0.00 -1.15 -0.25 119.26 120.81 1fe4 h ALA 53 Ca 0.16 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1fe4 h ALA 53 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1fe4 h ALA 53 CO -0.03 0.52 0.19 1.15 0.00 0.00 0.00 179.25 181.08 1fe4 h THR 54 N 0.80 1.26 -0.08 0.00 2.02 -0.96 -2.31 112.91 113.65 1fe4 h THR 54 Ca 0.19 -0.95 -0.22 0.00 0.77 0.00 0.00 66.41 66.19 1fe4 h THR 54 Cb 0.22 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1fe4 h THR 54 CO -0.01 0.37 -0.84 -0.07 0.37 0.00 0.00 175.52 175.33 1fe4 h LEU 55 N 1.07 0.76 -1.07 2.58 3.38 -1.04 -3.30 115.31 117.69 1fe4 h LEU 55 Ca 0.22 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1fe4 h LEU 55 Cb 0.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1fe4 h LEU 55 CO -0.00 1.32 0.28 0.11 0.09 0.00 0.00 178.44 180.24 1fe4 h LYS 56 N 0.40 0.94 0.00 1.13 1.79 -0.90 -2.89 116.57 117.04 1fe4 h LYS 56 Ca -0.07 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1fe4 h LYS 56 Cb 1.46 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1fe4 h LYS 56 CO 0.16 0.75 0.00 1.57 -1.08 0.00 0.00 179.45 180.85 1fe4 h LYS 57 N 0.93 0.00 0.00 3.15 2.10 -1.49 -2.25 116.57 119.00 1fe4 h LYS 57 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1fe4 h LYS 57 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1fe4 h LYS 57 CO -0.02 0.00 0.00 1.79 -2.00 0.00 0.00 179.45 179.22 1fe4 h THR 58 N 0.00 0.00 0.00 0.07 1.35 -1.67 -3.46 112.91 109.19 1fe4 h THR 58 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1fe4 h THR 58 Cb 0.15 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1fe4 h THR 58 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1fe4 n GLY 59 N 0.22 0.75 3.94 5.82 0.00 -0.85 -5.06 105.19 110.02 1fe4 n GLY 59 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.47 3.37 -0.24 1.61 1.02 -1.26 -5.05 119.74 118.72 1fe4 s LYS 60 Ca 0.00 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.37 1fe4 s LYS 60 Cb 0.00 -2.61 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1fe4 s LYS 60 CO 0.00 0.00 1.02 0.99 -0.92 0.00 0.00 175.35 176.45 1fe4 s THR 61 N -2.42 4.68 0.05 2.17 2.01 -1.26 -4.81 115.64 116.06 1fe4 s THR 61 Ca 0.43 1.95 0.06 0.00 0.31 0.00 0.00 61.69 64.44 1fe4 s THR 61 Cb -0.10 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 1fe4 s THR 61 CO 0.37 -0.20 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.24 1fe4 s VAL 62 N 3.21 1.36 -0.04 3.82 1.01 -1.26 -1.79 120.40 126.72 1fe4 s VAL 62 Ca 0.43 -1.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.12 1fe4 s VAL 62 Cb -0.15 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1fe4 s VAL 62 CO 0.07 0.04 0.30 -0.94 0.00 0.00 0.00 175.10 174.57 1fe4 s SER 63 N -1.31 -0.21 0.00 3.32 1.04 -0.80 -5.00 113.70 110.75 1fe4 s SER 63 Ca 0.04 0.19 -0.24 0.00 0.48 0.00 0.00 55.95 56.42 1fe4 s SER 63 Cb -0.09 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1fe4 s SER 63 CO 0.02 -0.37 0.71 -0.47 0.98 0.00 0.00 173.24 174.10 1fe4 s TYR 64 N -1.02 3.68 -0.18 5.02 5.04 -1.26 -1.06 117.35 127.56 1fe4 s TYR 64 Ca -0.11 1.35 0.03 0.00 -2.44 0.00 0.00 57.07 55.90 1fe4 s TYR 64 Cb -0.05 -2.77 -0.13 0.00 0.35 0.00 0.00 41.96 39.37 1fe4 s TYR 64 CO 0.03 0.24 -0.14 1.28 -1.34 0.00 0.00 175.55 175.62 1fe4 n LEU 65 N 3.07 2.63 0.00 6.97 4.77 -0.00 -4.93 117.00 129.51 1fe4 n LEU 65 Ca -0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1fe4 n LEU 65 Cb 0.51 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1fe4 n LEU 65 CO 0.46 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 1fe4 n GLY 66 N 2.56 -0.50 2.95 -0.72 0.00 -1.15 -5.00 105.19 103.34 1fe4 n GLY 66 Ca -0.31 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 1fe4 n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fe4 s LEU 67 N 0.00 1.84 0.00 0.99 2.96 -1.26 -1.38 118.68 121.82 1fe4 s LEU 67 Ca 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1fe4 s LEU 67 Cb 0.00 0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.90 1fe4 s LEU 67 CO 0.00 -0.08 0.00 -1.84 -1.32 0.00 0.00 176.35 173.11