#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl5 s PRO 2 N 0.00 3.75 0.57 0.03 0.04 -1.26 -4.89 135.00 133.24 1tl5 s PRO 2 Ca 0.00 2.37 -0.06 0.00 0.04 0.00 0.00 61.00 63.36 1tl5 s PRO 2 Cb 0.00 -2.68 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 1tl5 s PRO 2 CO 0.00 -0.75 0.89 -1.59 0.04 0.00 0.00 177.00 175.59 1tl5 s LYS 3 N -2.40 3.04 -0.01 4.56 -2.85 0.15 -4.65 119.74 117.58 1tl5 s LYS 3 Ca 0.60 0.05 0.08 0.00 -1.00 0.00 0.00 55.97 55.70 1tl5 s LYS 3 Cb -0.43 -2.28 -0.02 0.00 -2.06 0.00 0.00 37.83 33.04 1tl5 s LYS 3 CO 0.55 -0.62 -0.25 -1.01 0.10 0.00 0.00 175.35 174.12 1tl5 s HIS 4 N -2.96 2.23 0.03 1.78 3.76 0.50 -0.74 115.29 119.89 1tl5 s HIS 4 Ca 0.53 -0.42 0.05 0.00 -0.15 0.00 0.00 55.06 55.07 1tl5 s HIS 4 Cb -0.11 -1.42 -0.03 0.00 1.11 0.00 0.00 32.58 32.14 1tl5 s HIS 4 CO 0.45 -0.00 -0.12 -1.21 -0.85 0.00 0.00 174.74 173.01 1tl5 s GLU 5 N -0.73 2.30 -0.04 1.40 2.02 0.62 -0.44 118.70 123.83 1tl5 s GLU 5 Ca 0.10 -0.87 -0.03 0.00 0.02 0.00 0.00 54.97 54.19 1tl5 s GLU 5 Cb -0.10 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.81 1tl5 s GLU 5 CO -0.00 0.56 0.09 -0.06 0.02 0.00 0.00 175.26 175.87 1tl5 s PHE 6 N -0.99 -0.10 0.24 1.61 0.40 0.20 -0.37 117.98 118.96 1tl5 s PHE 6 Ca 0.16 0.26 -0.18 0.00 -0.60 0.00 0.00 56.93 56.58 1tl5 s PHE 6 Cb -0.11 -0.00 -0.08 0.00 0.51 0.00 0.00 43.02 43.34 1tl5 s PHE 6 CO 0.07 -0.07 0.70 0.45 0.70 0.00 0.00 175.22 177.08 1tl5 s SER 7 N 0.28 6.96 -0.38 1.36 0.15 -0.17 -0.45 113.70 121.45 1tl5 s SER 7 Ca -0.02 1.34 0.02 0.00 0.70 0.00 0.00 55.95 57.99 1tl5 s SER 7 Cb -0.03 -2.39 0.15 0.00 -1.71 0.00 0.00 66.02 62.04 1tl5 s SER 7 CO -0.01 -0.01 0.32 -0.69 1.20 0.00 0.00 173.24 174.05 1tl5 s VAL 8 N -1.62 -0.04 -0.88 4.45 1.01 0.10 -1.34 120.40 122.09 1tl5 s VAL 8 Ca 0.45 -1.64 -0.25 0.00 0.00 0.00 0.00 61.98 60.55 1tl5 s VAL 8 Cb -0.15 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1tl5 s VAL 8 CO 0.20 -0.86 1.64 -0.62 0.00 0.00 0.00 175.10 175.46 1tl5 s ASP 9 N 0.96 5.84 -1.23 3.32 2.15 0.43 -4.14 116.67 123.99 1tl5 s ASP 9 Ca 0.22 -0.78 -0.20 0.00 0.43 0.00 0.00 52.55 52.21 1tl5 s ASP 9 Cb -0.13 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 39.92 1tl5 s ASP 9 CO -0.05 -2.08 1.86 0.23 -0.17 0.00 0.00 175.17 174.96 1tl5 n MET 10 N 9.00 2.44 0.01 4.34 2.81 -1.26 -4.66 117.12 129.80 1tl5 n MET 10 Ca 0.28 -2.83 0.13 0.00 -1.81 0.00 0.00 57.70 53.47 1tl5 n MET 10 Cb 0.50 -3.54 0.56 0.00 -0.71 0.00 0.00 33.22 30.02 1tl5 n MET 10 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1tl5 n THR 11 N 6.85 0.19 -4.09 2.03 -2.24 -1.26 -4.34 114.28 111.42 1tl5 n THR 11 Ca 0.48 0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 62.13 1tl5 n THR 11 Cb 0.45 -0.58 -0.13 0.00 -2.10 0.00 0.00 70.33 67.97 1tl5 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tl5 h GLY 13 N 5.38 1.57 1.96 0.00 0.00 -2.00 0.14 103.07 110.11 1tl5 h GLY 13 Ca -0.31 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1tl5 h GLY 13 CO 0.46 -0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.30 1tl5 n GLY 14 N -1.34 -0.66 0.28 4.60 0.00 -1.26 -0.61 105.19 106.21 1tl5 n GLY 14 Ca 0.23 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.31 1tl5 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tl5 h ALA 16 N 1.63 0.27 -0.27 0.00 0.00 -1.05 -0.43 119.26 119.41 1tl5 h ALA 16 Ca 0.45 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1tl5 h ALA 16 Cb 0.78 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1tl5 h ALA 16 CO -0.50 -0.24 -0.19 0.93 0.00 0.00 0.00 179.25 179.24 1tl5 h GLU 17 N 0.28 -0.17 -0.19 0.00 5.08 -1.51 0.98 114.58 119.05 1tl5 h GLU 17 Ca 0.08 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1tl5 h GLU 17 Cb -0.02 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1tl5 h GLU 17 CO -0.02 -0.11 -0.01 0.00 -1.00 0.00 0.00 179.01 177.87 1tl5 h ALA 18 N 0.97 0.16 0.15 3.43 0.00 -0.15 0.13 119.26 123.95 1tl5 h ALA 18 Ca 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1tl5 h ALA 18 Cb 0.40 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1tl5 h ALA 18 CO -0.38 -0.45 -0.07 0.28 0.00 0.00 0.00 179.25 178.63 1tl5 h VAL 19 N 0.04 0.90 -0.31 0.00 2.07 -0.94 -0.46 116.25 117.55 1tl5 h VAL 19 Ca 0.09 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1tl5 h VAL 19 Cb 0.12 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1tl5 h VAL 19 CO -0.17 0.04 -0.17 0.28 0.02 0.00 0.00 177.57 177.58 1tl5 h SER 20 N -0.29 -0.56 0.07 0.57 0.02 -0.30 0.55 113.55 113.61 1tl5 h SER 20 Ca -0.02 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1tl5 h SER 20 Cb 0.23 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1tl5 h SER 20 CO 0.03 -0.20 -0.07 0.03 -1.14 0.00 0.00 176.83 175.48 1tl5 h ARG 21 N -0.13 -0.16 -0.52 3.45 3.08 -0.61 0.41 114.38 119.91 1tl5 h ARG 21 Ca 0.16 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.23 1tl5 h ARG 21 Cb 0.37 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1tl5 h ARG 21 CO -0.39 -0.10 0.34 -0.24 -1.07 0.00 0.00 179.97 178.51 1tl5 h VAL 22 N -0.16 1.13 0.10 2.04 3.04 -0.67 0.18 116.25 121.91 1tl5 h VAL 22 Ca 0.01 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.45 1tl5 h VAL 22 Cb 0.16 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 29.81 1tl5 h VAL 22 CO -0.02 0.13 -0.05 -0.07 -1.01 0.00 0.00 177.57 176.54 1tl5 h LEU 23 N 0.70 -0.12 -0.60 3.16 -0.00 -0.63 -1.09 115.31 116.74 1tl5 h LEU 23 Ca 0.19 -0.07 0.09 0.00 -0.00 0.00 0.00 57.88 58.09 1tl5 h LEU 23 Cb -0.08 0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 40.54 1tl5 h LEU 23 CO -0.04 -0.01 0.24 0.78 -0.00 0.00 0.00 178.44 179.41 1tl5 h ASN 24 N -0.22 0.26 -0.94 -0.43 2.35 -0.76 -0.97 115.58 114.88 1tl5 h ASN 24 Ca -0.01 0.07 0.12 0.00 -0.55 0.00 0.00 56.30 55.93 1tl5 h ASN 24 Cb 0.18 0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.51 1tl5 h ASN 24 CO 0.02 0.16 0.60 0.11 -1.65 0.00 0.00 177.43 176.67 1tl5 h LYS 25 N 0.43 0.84 -0.59 0.81 1.79 -0.60 -1.19 116.57 118.05 1tl5 h LYS 25 Ca 0.30 -0.05 0.11 0.00 -2.18 0.00 0.00 60.65 58.83 1tl5 h LYS 25 Cb 0.34 -0.19 -0.09 0.00 -1.58 0.00 0.00 32.23 30.71 1tl5 h LYS 25 CO -0.28 0.55 0.11 1.25 -1.08 0.00 0.00 179.45 180.00 1tl5 h LEU 26 N 0.86 -0.04 0.00 2.94 7.12 0.14 -3.48 115.31 122.85 1tl5 h LEU 26 Ca 0.46 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.59 1tl5 h LEU 26 Cb 0.55 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1tl5 h LEU 26 CO -0.23 -0.01 0.00 0.61 -0.13 0.00 0.00 178.44 178.69 1tl5 n GLY 27 N -1.32 -0.65 2.56 3.75 0.00 -0.45 -5.03 105.19 104.05 1tl5 n GLY 27 Ca 0.09 0.25 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 1tl5 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tl5 n GLY 28 N 0.00 4.63 3.13 -0.02 0.00 -1.26 -4.85 105.19 106.82 1tl5 n GLY 28 Ca 0.00 -2.36 -0.33 0.00 0.00 0.00 0.00 46.02 43.33 1tl5 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tl5 s VAL 29 N -3.20 2.20 -0.73 1.61 0.11 -1.26 -4.58 120.40 114.54 1tl5 s VAL 29 Ca 0.43 -0.96 -0.25 0.00 -2.93 0.00 0.00 61.98 58.28 1tl5 s VAL 29 Cb 0.26 -1.97 0.05 0.00 -1.53 0.00 0.00 36.38 33.20 1tl5 s VAL 29 CO -0.10 0.47 1.15 -0.75 -3.33 0.00 0.00 175.10 172.55 1tl5 s LYS 30 N 1.29 3.20 0.37 1.54 2.36 -1.26 -4.88 119.74 122.36 1tl5 s LYS 30 Ca 0.04 -0.61 -0.05 0.00 -2.55 0.00 0.00 55.97 52.81 1tl5 s LYS 30 Cb -0.14 -4.30 -0.05 0.00 -1.05 0.00 0.00 37.83 32.29 1tl5 s LYS 30 CO -0.11 -2.00 0.65 1.52 1.55 0.00 0.00 175.35 176.96 1tl5 s TYR 31 N 4.87 3.50 0.09 4.03 -0.85 -1.26 -1.61 117.35 126.12 1tl5 s TYR 31 Ca 0.30 0.69 0.05 0.00 -0.52 0.00 0.00 57.07 57.59 1tl5 s TYR 31 Cb -0.11 -2.17 -0.03 0.00 0.38 0.00 0.00 41.96 40.03 1tl5 s TYR 31 CO 0.10 -0.01 -0.14 0.34 -1.52 0.00 0.00 175.55 174.33 1tl5 s ASP 32 N -3.61 1.79 -0.22 -0.18 -1.08 0.10 -4.97 116.67 108.51 1tl5 s ASP 32 Ca 0.45 -0.71 -0.04 0.00 -0.52 0.00 0.00 52.55 51.73 1tl5 s ASP 32 Cb -0.10 -0.05 0.07 0.00 -1.46 0.00 0.00 42.92 41.38 1tl5 s ASP 32 CO 0.36 -0.12 0.08 -0.63 0.52 0.00 0.00 175.17 175.38 1tl5 s ILE 33 N -1.73 0.20 -0.32 4.11 1.01 -1.26 -0.88 121.20 122.33 1tl5 s ILE 33 Ca 0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 1tl5 s ILE 33 Cb -0.07 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 1tl5 s ILE 33 CO 0.02 -0.40 0.19 -0.62 0.00 0.00 0.00 174.94 174.14 1tl5 s ASP 34 N 1.99 5.82 -0.10 3.58 -1.08 0.70 -5.00 116.67 122.60 1tl5 s ASP 34 Ca 0.03 -0.42 -0.27 0.00 -0.52 0.00 0.00 52.55 51.38 1tl5 s ASP 34 Cb -0.16 -2.08 -0.23 0.00 -1.46 0.00 0.00 42.92 38.99 1tl5 s ASP 34 CO -0.17 -0.19 0.91 -0.07 0.52 0.00 0.00 175.17 176.17 1tl5 h LEU 35 N 8.41 -0.01 -0.92 -1.34 -0.00 -1.96 0.14 115.31 119.64 1tl5 h LEU 35 Ca -0.32 -0.77 -0.03 0.00 -0.00 0.00 0.00 57.88 56.75 1tl5 h LEU 35 Cb 1.16 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.78 1tl5 h LEU 35 CO 0.62 0.79 0.35 1.55 -0.00 0.00 0.00 178.44 181.74 1tl5 h PRO 36 N -0.83 1.13 0.02 1.13 0.13 -1.96 -2.48 132.00 129.13 1tl5 h PRO 36 Ca -0.00 -0.18 -0.21 0.00 -0.87 0.00 0.00 66.00 64.74 1tl5 h PRO 36 Cb 0.78 -0.20 0.02 0.00 0.13 0.00 0.00 31.00 31.73 1tl5 h PRO 36 CO 0.00 0.89 -0.85 -0.91 -0.23 0.00 0.00 178.00 176.90 1tl5 h ASN 37 N 1.12 0.71 -2.57 1.44 2.35 -2.00 -3.49 115.58 113.14 1tl5 h ASN 37 Ca 0.27 -0.77 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1tl5 h ASN 37 Cb 0.15 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1tl5 h ASN 37 CO -0.03 1.39 0.00 0.29 -1.65 0.00 0.00 177.43 177.44 1tl5 n LYS 38 N -4.03 0.00 -4.12 0.81 4.01 -0.71 -4.95 118.16 109.17 1tl5 n LYS 38 Ca -0.11 0.22 -0.08 0.00 -0.51 0.00 0.00 58.31 57.83 1tl5 n LYS 38 Cb 0.80 -1.28 -0.10 0.00 -0.51 0.00 0.00 35.03 33.93 1tl5 n LYS 38 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1tl5 s LYS 39 N -2.86 0.75 0.10 1.97 1.02 -0.04 -0.72 119.74 119.96 1tl5 s LYS 39 Ca 0.00 -1.32 0.08 0.00 0.02 0.00 0.00 55.97 54.75 1tl5 s LYS 39 Cb 0.00 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.50 1tl5 s LYS 39 CO 0.00 -0.17 -0.20 0.08 -0.92 0.00 0.00 175.35 174.14 1tl5 s VAL 40 N -3.97 1.62 0.04 3.17 1.01 0.40 -0.21 120.40 122.47 1tl5 s VAL 40 Ca 0.14 -1.51 0.07 0.00 0.00 0.00 0.00 61.98 60.69 1tl5 s VAL 40 Cb 0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1tl5 s VAL 40 CO -0.05 -0.08 -0.19 0.00 0.00 0.00 0.00 175.10 174.78 1tl5 s ILE 42 N -0.82 0.17 -0.50 0.00 1.01 0.41 0.03 121.20 121.50 1tl5 s ILE 42 Ca 0.06 0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.98 1tl5 s ILE 42 Cb -0.09 -0.36 0.13 0.00 0.01 0.00 0.00 42.46 42.15 1tl5 s ILE 42 CO 0.02 0.22 0.24 -0.70 0.00 0.00 0.00 174.94 174.72 1tl5 s GLU 43 N 1.96 1.93 0.29 2.79 -6.30 -0.64 -0.37 118.70 118.36 1tl5 s GLU 43 Ca 0.04 -2.54 -0.18 0.00 -2.50 0.00 0.00 54.97 49.79 1tl5 s GLU 43 Cb -0.12 -3.32 0.02 0.00 0.00 0.00 0.00 34.13 30.71 1tl5 s GLU 43 CO -0.04 -1.09 0.66 0.45 0.02 0.00 0.00 175.26 175.26 1tl5 s SER 44 N -0.13 -0.15 -0.05 -1.70 0.15 -1.26 -4.15 113.70 106.41 1tl5 s SER 44 Ca 0.16 -0.78 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 1tl5 s SER 44 Cb -0.25 0.71 -0.12 0.00 -1.71 0.00 0.00 66.02 64.65 1tl5 s SER 44 CO -0.01 -1.34 2.88 -0.62 1.20 0.00 0.00 173.24 175.35 1tl5 n GLU 45 N -0.45 1.65 -4.24 5.44 4.71 -1.26 -4.79 120.64 121.71 1tl5 n GLU 45 Ca -0.04 -0.77 -0.19 0.00 -0.01 0.00 0.00 57.16 56.16 1tl5 n GLU 45 Cb 0.60 -1.63 -0.15 0.00 -1.01 0.00 0.00 31.44 29.25 1tl5 n GLU 45 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1tl5 s HIS 46 N 0.27 0.72 0.24 -0.32 3.76 -1.26 -5.09 115.29 113.62 1tl5 s HIS 46 Ca 0.40 -0.17 -0.31 0.00 -0.15 0.00 0.00 55.06 54.83 1tl5 s HIS 46 Cb 0.20 -0.56 -0.12 0.00 1.11 0.00 0.00 32.58 33.22 1tl5 s HIS 46 CO -0.02 -0.10 1.65 0.45 -0.85 0.00 0.00 174.74 175.87 1tl5 s SER 47 N 0.37 6.39 0.17 1.40 0.15 -1.26 -4.84 113.70 116.08 1tl5 s SER 47 Ca -0.05 2.89 -0.18 0.00 0.70 0.00 0.00 55.95 59.31 1tl5 s SER 47 Cb -0.09 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.73 1tl5 s SER 47 CO 0.00 -0.93 1.29 0.80 1.20 0.00 0.00 173.24 175.60 1tl5 n MET 48 N 3.16 -0.25 0.19 5.44 1.56 -1.26 -0.44 117.12 125.52 1tl5 n MET 48 Ca 0.12 1.27 0.13 0.00 -0.27 0.00 0.00 57.70 58.96 1tl5 n MET 48 Cb 0.36 -1.89 0.35 0.00 2.15 0.00 0.00 33.22 34.20 1tl5 n MET 48 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 1tl5 h ASP 49 N 0.00 0.00 -0.13 6.12 3.58 -1.98 0.20 116.42 124.21 1tl5 h ASP 49 Ca 0.24 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 1tl5 h ASP 49 Cb 0.45 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 1tl5 h ASP 49 CO -0.81 0.00 -0.01 0.74 -2.88 0.00 0.00 179.24 176.28 1tl5 h THR 50 N 0.00 1.26 0.34 2.25 2.02 -1.12 0.30 112.91 117.96 1tl5 h THR 50 Ca 0.00 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1tl5 h THR 50 Cb 0.78 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 1tl5 h THR 50 CO 0.00 0.25 -0.31 -0.07 0.37 0.00 0.00 175.52 175.76 1tl5 h LEU 51 N -0.04 -0.84 0.32 2.58 3.38 -0.87 -1.02 115.31 118.82 1tl5 h LEU 51 Ca 0.04 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1tl5 h LEU 51 Cb 0.39 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1tl5 h LEU 51 CO 0.01 -0.45 -0.46 -0.07 0.09 0.00 0.00 178.44 177.56 1tl5 h LEU 52 N -0.67 -1.30 -1.19 1.67 3.38 -0.95 0.81 115.31 117.06 1tl5 h LEU 52 Ca -0.02 0.12 0.30 0.00 0.09 0.00 0.00 57.88 58.36 1tl5 h LEU 52 Cb 0.60 0.45 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 1tl5 h LEU 52 CO -0.05 -0.56 0.65 0.00 0.09 0.00 0.00 178.44 178.58 1tl5 h ALA 53 N -0.88 2.12 -0.29 1.53 0.00 -0.32 0.40 119.26 121.83 1tl5 h ALA 53 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1tl5 h ALA 53 Cb 0.74 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1tl5 h ALA 53 CO -0.13 -0.63 0.00 2.41 0.00 0.00 0.00 179.25 180.90 1tl5 n THR 54 N -4.80 0.00 0.10 0.00 -1.04 -0.40 -4.17 114.28 103.97 1tl5 n THR 54 Ca 0.29 1.21 0.02 0.00 -2.04 0.00 0.00 64.05 63.54 1tl5 n THR 54 Cb 0.95 -2.19 0.38 0.00 -1.82 0.00 0.00 70.33 67.65 1tl5 n THR 54 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1tl5 h LEU 55 N 0.00 0.26 -0.80 -4.42 8.10 0.60 -0.91 115.31 118.15 1tl5 h LEU 55 Ca 0.00 -0.05 0.21 0.00 0.11 0.00 0.00 57.88 58.15 1tl5 h LEU 55 Cb 0.00 -0.07 -0.15 0.00 -0.44 0.00 0.00 40.66 40.00 1tl5 h LEU 55 CO 0.00 0.40 -0.01 0.29 -4.11 0.00 0.00 178.44 175.01 1tl5 n LYS 56 N -4.29 -0.06 0.13 0.17 5.02 0.13 -0.74 118.16 118.52 1tl5 n LYS 56 Ca -0.00 1.20 0.10 0.00 -2.02 0.00 0.00 58.31 57.59 1tl5 n LYS 56 Cb 0.25 -1.90 0.49 0.00 -0.02 0.00 0.00 35.03 33.86 1tl5 n LYS 56 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1tl5 n LYS 57 N -5.15 0.14 -0.14 1.97 5.02 -0.34 -0.81 118.16 118.84 1tl5 n LYS 57 Ca 0.18 0.54 0.02 0.00 -2.02 0.00 0.00 58.31 57.03 1tl5 n LYS 57 Cb 0.59 -1.87 0.30 0.00 -0.02 0.00 0.00 35.03 34.03 1tl5 n LYS 57 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1tl5 h THR 58 N 0.00 1.17 -1.95 -0.18 1.35 -1.12 -3.47 112.91 108.70 1tl5 h THR 58 Ca 0.00 -0.33 -0.18 0.00 -0.55 0.00 0.00 66.41 65.35 1tl5 h THR 58 Cb 0.12 0.26 0.02 0.00 -1.73 0.00 0.00 68.15 66.82 1tl5 h THR 58 CO 0.00 0.16 -0.26 0.61 -0.25 0.00 0.00 175.52 175.78 1tl5 n GLY 59 N -1.41 0.09 3.96 5.82 0.00 0.01 -5.06 105.19 108.61 1tl5 n GLY 59 Ca 0.06 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 1tl5 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tl5 n LYS 60 N -2.10 0.37 -0.85 1.61 4.01 -1.26 -4.98 118.16 114.95 1tl5 n LYS 60 Ca -0.07 -3.04 -0.20 0.00 -0.51 0.00 0.00 58.31 54.49 1tl5 n LYS 60 Cb 0.56 -0.38 -0.06 0.00 -0.51 0.00 0.00 35.03 34.64 1tl5 n LYS 60 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1tl5 n THR 61 N -2.48 2.71 -4.88 -0.18 -2.24 -1.26 -4.87 114.28 101.08 1tl5 n THR 61 Ca 0.17 -1.53 -0.33 0.00 -2.27 0.00 0.00 64.05 60.09 1tl5 n THR 61 Cb 0.61 -2.12 -0.14 0.00 -2.10 0.00 0.00 70.33 66.58 1tl5 n THR 61 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1tl5 s VAL 62 N 2.41 2.97 0.30 2.28 0.11 -1.26 -0.43 120.40 126.78 1tl5 s VAL 62 Ca 0.49 -0.73 -0.18 0.00 -2.93 0.00 0.00 61.98 58.63 1tl5 s VAL 62 Cb 0.17 -2.19 0.02 0.00 -1.53 0.00 0.00 36.38 32.85 1tl5 s VAL 62 CO -0.03 0.57 0.69 -0.55 -3.33 0.00 0.00 175.10 172.45 1tl5 s SER 63 N -0.29 -0.12 -0.14 3.54 0.15 -0.45 -5.00 113.70 111.38 1tl5 s SER 63 Ca 0.02 -0.82 -0.12 0.00 0.70 0.00 0.00 55.95 55.73 1tl5 s SER 63 Cb -0.13 0.74 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1tl5 s SER 63 CO 0.03 -1.40 0.25 -0.47 1.20 0.00 0.00 173.24 172.85 1tl5 s TYR 64 N -3.52 3.51 -0.43 3.44 5.04 -1.26 -1.00 117.35 123.13 1tl5 s TYR 64 Ca 0.15 0.59 0.05 0.00 -2.44 0.00 0.00 57.07 55.42 1tl5 s TYR 64 Cb -0.05 -2.23 0.17 0.00 0.35 0.00 0.00 41.96 40.20 1tl5 s TYR 64 CO 0.09 0.39 0.52 -0.48 -1.34 0.00 0.00 175.55 174.73 1tl5 s LEU 65 N -0.02 -0.44 0.00 6.97 -0.00 0.50 -4.89 118.68 120.79 1tl5 s LEU 65 Ca 0.16 -1.80 0.00 0.00 -0.00 0.00 0.00 54.13 52.49 1tl5 s LEU 65 Cb -0.13 1.01 0.00 0.00 -0.00 0.00 0.00 46.19 47.07 1tl5 s LEU 65 CO 0.04 -0.16 0.00 0.61 -0.00 0.00 0.00 176.35 176.84 1tl5 n GLY 66 N 3.59 2.70 3.25 -3.48 0.00 -1.23 -4.52 105.19 105.49 1tl5 n GLY 66 Ca 0.17 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 1tl5 n GLY 66 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1tl5 s LEU 67 N 0.00 0.91 0.00 0.99 2.34 -1.26 -0.27 118.68 121.39 1tl5 s LEU 67 Ca 0.00 -0.18 0.00 0.00 0.06 0.00 0.00 54.13 54.01 1tl5 s LEU 67 Cb 0.00 1.32 0.00 0.00 -0.56 0.00 0.00 46.19 46.95 1tl5 s LEU 67 CO 0.00 -0.59 0.00 1.21 -1.06 0.00 0.00 176.35 175.91