#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 0.72 0.42 2.12 0.04 -1.26 -4.36 135.00 132.68 1tl5 s PRO 2 Ca 0.00 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 61.84 1tl5 s PRO 2 Cb 0.00 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.70 1tl5 s PRO 2 CO 0.00 -2.66 0.91 -1.59 0.04 0.00 0.00 177.00 173.71 1tl5 s LYS 3 N -4.76 4.16 -0.23 4.56 -2.85 0.14 -4.09 119.74 116.67 1tl5 s LYS 3 Ca 0.65 1.01 -0.01 0.00 -1.00 0.00 0.00 55.97 56.63 1tl5 s LYS 3 Cb -0.21 -2.22 0.02 0.00 -2.06 0.00 0.00 37.83 33.36 1tl5 s LYS 3 CO 0.59 -0.02 -0.10 -1.01 0.10 0.00 0.00 175.35 174.92 1tl5 s HIS 4 N -2.18 2.99 0.23 1.78 3.76 -0.06 -0.95 115.29 120.85 1tl5 s HIS 4 Ca 0.60 -1.53 -0.15 0.00 -0.15 0.00 0.00 55.06 53.83 1tl5 s HIS 4 Cb -0.09 -2.02 -0.08 0.00 1.11 0.00 0.00 32.58 31.50 1tl5 s HIS 4 CO 0.16 -0.73 0.65 -1.21 -0.85 0.00 0.00 174.74 172.76 1tl5 s GLU 5 N 1.33 4.04 0.00 1.40 2.02 0.45 -0.55 118.70 127.39 1tl5 s GLU 5 Ca 0.02 0.62 0.01 0.00 0.02 0.00 0.00 54.97 55.64 1tl5 s GLU 5 Cb -0.16 -2.74 -0.00 0.00 0.10 0.00 0.00 34.13 31.33 1tl5 s GLU 5 CO -0.06 0.35 -0.03 -0.06 0.02 0.00 0.00 175.26 175.47 1tl5 s PHE 6 N -1.67 0.23 0.13 1.61 0.40 0.41 -0.42 117.98 118.66 1tl5 s PHE 6 Ca 0.45 -0.10 -0.14 0.00 -0.60 0.00 0.00 56.93 56.54 1tl5 s PHE 6 Cb -0.14 -0.15 -0.07 0.00 0.51 0.00 0.00 43.02 43.18 1tl5 s PHE 6 CO 0.20 -0.02 0.53 0.45 0.70 0.00 0.00 175.22 177.08 1tl5 s SER 7 N -0.25 6.82 0.26 1.36 0.15 0.08 -0.58 113.70 121.55 1tl5 s SER 7 Ca -0.01 1.06 0.03 0.00 0.70 0.00 0.00 55.95 57.73 1tl5 s SER 7 Cb -0.02 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 1tl5 s SER 7 CO -0.00 0.12 0.04 -0.69 1.20 0.00 0.00 173.24 173.92 1tl5 s VAL 8 N -1.43 0.93 -0.13 4.45 1.01 0.26 -0.51 120.40 124.98 1tl5 s VAL 8 Ca 0.37 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1tl5 s VAL 8 Cb -0.15 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1tl5 s VAL 8 CO 0.19 -0.14 -0.14 -0.62 0.00 0.00 0.00 175.10 174.39 1tl5 s ASP 9 N -3.36 3.97 -0.43 3.32 2.15 -1.26 -4.75 116.67 116.31 1tl5 s ASP 9 Ca 0.33 -0.33 -0.06 0.00 0.43 0.00 0.00 52.55 52.92 1tl5 s ASP 9 Cb 0.07 -1.58 0.11 0.00 -0.30 0.00 0.00 42.92 41.23 1tl5 s ASP 9 CO 0.12 0.17 0.26 -0.04 -0.17 0.00 0.00 175.17 175.52 1tl5 s MET 10 N 0.31 2.27 0.17 4.34 -1.94 -1.26 -4.86 119.30 118.33 1tl5 s MET 10 Ca -0.11 -1.75 0.09 0.00 -1.71 0.00 0.00 55.69 52.21 1tl5 s MET 10 Cb -0.16 -3.74 -0.03 0.00 2.01 0.00 0.00 34.83 32.91 1tl5 s MET 10 CO 0.06 -1.10 1.38 1.15 -0.01 0.00 0.00 175.02 176.50 1tl5 h THR 11 N 6.24 1.58 -3.89 2.05 2.02 -1.98 -3.44 112.91 115.50 1tl5 h THR 11 Ca -0.18 -2.99 -0.15 0.00 0.77 0.00 0.00 66.41 63.86 1tl5 h THR 11 Cb 1.06 2.63 -0.20 0.00 -1.74 0.00 0.00 68.15 69.90 1tl5 h THR 11 CO 0.77 0.84 -0.63 0.00 0.37 0.00 0.00 175.52 176.88 1tl5 h GLY 13 N 4.25 1.71 0.67 0.00 0.00 -2.02 0.88 103.07 108.55 1tl5 h GLY 13 Ca -0.32 -0.28 0.10 0.00 0.00 0.00 0.00 47.33 46.83 1tl5 h GLY 13 CO 0.45 -0.22 0.57 -1.33 0.00 0.00 0.00 176.54 176.01 1tl5 h GLY 14 N 0.52 0.00 -0.06 4.60 0.00 -1.98 0.35 103.07 106.50 1tl5 h GLY 14 Ca 0.64 0.00 0.27 0.00 0.00 0.00 0.00 47.33 48.23 1tl5 h GLY 14 CO -0.43 0.00 0.69 0.00 0.00 0.00 0.00 176.54 176.80 1tl5 h ALA 16 N 1.57 1.73 -0.84 0.00 0.00 -1.13 0.10 119.26 120.70 1tl5 h ALA 16 Ca 0.55 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.61 1tl5 h ALA 16 Cb 1.60 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1tl5 h ALA 16 CO -0.19 -0.44 0.45 0.93 0.00 0.00 0.00 179.25 179.99 1tl5 h GLU 17 N 0.38 1.18 0.03 0.00 4.39 -0.96 0.15 114.58 119.75 1tl5 h GLU 17 Ca 0.66 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 60.22 1tl5 h GLU 17 Cb 1.38 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1tl5 h GLU 17 CO -0.57 0.88 -0.08 0.00 -1.16 0.00 0.00 179.01 178.08 1tl5 h ALA 18 N 1.24 -0.11 -0.18 3.43 0.00 -0.89 0.17 119.26 122.93 1tl5 h ALA 18 Ca 0.29 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1tl5 h ALA 18 Cb 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1tl5 h ALA 18 CO -0.04 -0.58 0.04 0.28 0.00 0.00 0.00 179.25 178.94 1tl5 h VAL 19 N -0.15 1.21 0.03 0.00 2.07 -1.27 -1.56 116.25 116.58 1tl5 h VAL 19 Ca 0.02 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1tl5 h VAL 19 Cb 0.17 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1tl5 h VAL 19 CO -0.06 0.20 -0.02 -1.28 0.02 0.00 0.00 177.57 176.44 1tl5 h SER 20 N 0.09 -0.04 -0.44 0.57 0.87 -0.56 -0.67 113.55 113.37 1tl5 h SER 20 Ca 0.05 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1tl5 h SER 20 Cb 0.27 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1tl5 h SER 20 CO 0.00 0.11 0.26 0.03 -0.53 0.00 0.00 176.83 176.70 1tl5 h ARG 21 N -0.18 0.60 -0.22 2.24 3.08 -0.65 0.23 114.38 119.48 1tl5 h ARG 21 Ca -0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1tl5 h ARG 21 Cb 0.17 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1tl5 h ARG 21 CO 0.01 0.45 0.09 -0.24 -1.07 0.00 0.00 179.97 179.20 1tl5 h VAL 22 N 0.58 1.16 -0.51 2.04 3.04 -1.17 0.17 116.25 121.57 1tl5 h VAL 22 Ca 0.16 -0.50 -0.05 0.00 -1.01 0.00 0.00 66.70 65.31 1tl5 h VAL 22 Cb 0.01 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.36 1tl5 h VAL 22 CO -0.03 0.16 0.13 -0.07 -1.01 0.00 0.00 177.57 176.76 1tl5 h LEU 23 N 0.20 0.76 -0.86 3.16 -0.00 -0.92 -1.30 115.31 116.35 1tl5 h LEU 23 Ca 0.07 -0.22 0.12 0.00 -0.00 0.00 0.00 57.88 57.85 1tl5 h LEU 23 Cb 0.17 -0.20 -0.09 0.00 -0.00 0.00 0.00 40.66 40.55 1tl5 h LEU 23 CO -0.01 0.78 0.47 -1.13 -0.00 0.00 0.00 178.44 178.56 1tl5 h ASN 24 N 0.69 0.63 -0.90 -0.43 -1.24 -0.40 0.13 115.58 114.06 1tl5 h ASN 24 Ca 0.16 0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.26 1tl5 h ASN 24 Cb 0.32 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.27 1tl5 h ASN 24 CO -0.00 0.31 0.59 0.11 -1.29 0.00 0.00 177.43 177.15 1tl5 h LYS 25 N 0.72 1.15 -0.16 6.67 1.79 -0.07 -2.45 116.57 124.23 1tl5 h LYS 25 Ca 0.44 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1tl5 h LYS 25 Cb 0.53 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1tl5 h LYS 25 CO -0.31 0.76 0.10 1.25 -1.08 0.00 0.00 179.45 180.18 1tl5 h LEU 26 N 1.18 0.18 0.00 2.94 7.12 0.15 -3.49 115.31 123.41 1tl5 h LEU 26 Ca 0.35 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.34 1tl5 h LEU 26 Cb -0.07 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 1tl5 h LEU 26 CO -0.09 0.15 0.00 0.61 -0.13 0.00 0.00 178.44 178.97 1tl5 n GLY 27 N -1.10 1.23 0.19 3.75 0.00 0.25 -4.92 105.19 104.60 1tl5 n GLY 27 Ca -0.04 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1tl5 n GLY 27 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1tl5 h GLY 28 N 0.00 -0.43 0.00 -0.02 0.00 -1.86 -3.42 103.07 97.34 1tl5 h GLY 28 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1tl5 h GLY 28 CO 0.00 -0.16 0.00 1.55 0.00 0.00 0.00 176.54 177.93 1tl5 n VAL 29 N -5.22 0.00 -4.29 4.60 3.14 -1.26 -5.01 118.33 110.29 1tl5 n VAL 29 Ca -0.10 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.00 1tl5 n VAL 29 Cb 0.22 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.89 1tl5 n VAL 29 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1tl5 s LYS 30 N 0.00 1.91 -0.08 1.45 -0.14 -1.26 -4.76 119.74 116.85 1tl5 s LYS 30 Ca 0.00 -1.20 -0.25 0.00 -1.36 0.00 0.00 55.97 53.16 1tl5 s LYS 30 Cb 0.00 -2.14 0.06 0.00 -1.68 0.00 0.00 37.83 34.06 1tl5 s LYS 30 CO 0.00 0.47 0.58 1.52 -0.76 0.00 0.00 175.35 177.16 1tl5 s TYR 31 N -1.36 -0.55 0.48 3.18 1.13 -1.26 -3.51 117.35 115.46 1tl5 s TYR 31 Ca 0.21 1.03 -0.19 0.00 -1.41 0.00 0.00 57.07 56.71 1tl5 s TYR 31 Cb -0.10 0.30 -0.09 0.00 -1.10 0.00 0.00 41.96 40.97 1tl5 s TYR 31 CO 0.12 -0.50 0.98 0.34 -2.51 0.00 0.00 175.55 173.98 1tl5 s ASP 32 N -0.92 6.69 -0.32 -0.18 2.15 0.12 -4.91 116.67 119.30 1tl5 s ASP 32 Ca -0.09 1.68 -0.02 0.00 0.43 0.00 0.00 52.55 54.55 1tl5 s ASP 32 Cb -0.02 -2.53 0.11 0.00 -0.30 0.00 0.00 42.92 40.18 1tl5 s ASP 32 CO 0.07 -0.54 0.15 -0.63 -0.17 0.00 0.00 175.17 174.05 1tl5 s ILE 33 N -2.33 0.26 -0.47 4.11 1.09 -1.26 -2.06 121.20 120.54 1tl5 s ILE 33 Ca 0.62 -1.24 -0.25 0.00 -1.10 0.00 0.00 60.65 58.67 1tl5 s ILE 33 Cb -0.11 -1.21 0.03 0.00 -1.06 0.00 0.00 42.46 40.11 1tl5 s ILE 33 CO 0.22 -0.80 0.90 -0.62 -0.10 0.00 0.00 174.94 174.54 1tl5 s ASP 34 N 1.63 6.47 -0.09 3.58 -1.08 0.72 -4.95 116.67 122.95 1tl5 s ASP 34 Ca 0.12 0.05 -0.18 0.00 -0.52 0.00 0.00 52.55 52.01 1tl5 s ASP 34 Cb -0.19 -2.44 -0.15 0.00 -1.46 0.00 0.00 42.92 38.69 1tl5 s ASP 34 CO -0.22 -1.04 0.65 -0.07 0.52 0.00 0.00 175.17 175.01 1tl5 h LEU 35 N 10.52 -0.10 -0.55 -1.34 4.07 -1.96 0.74 115.31 126.70 1tl5 h LEU 35 Ca -0.24 -0.45 0.09 0.00 0.08 0.00 0.00 57.88 57.36 1tl5 h LEU 35 Cb 1.08 0.02 -0.07 0.00 1.08 0.00 0.00 40.66 42.77 1tl5 h LEU 35 CO 1.02 0.57 0.15 1.55 -1.08 0.00 0.00 178.44 180.64 1tl5 h PRO 36 N -0.93 0.29 -0.01 1.13 0.13 -1.96 -0.33 132.00 130.32 1tl5 h PRO 36 Ca -0.01 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1tl5 h PRO 36 Cb 0.54 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1tl5 h PRO 36 CO 0.02 0.19 -0.14 0.09 -0.23 0.00 0.00 178.00 177.93 1tl5 n ASN 37 N -5.07 0.70 -3.58 1.44 3.02 -1.26 -4.97 115.26 105.54 1tl5 n ASN 37 Ca 0.07 -0.75 -0.23 0.00 -0.03 0.00 0.00 54.58 53.64 1tl5 n ASN 37 Cb 0.26 -0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.47 1tl5 n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1tl5 n LYS 38 N -0.78 -2.97 -4.28 3.52 5.02 -0.14 -4.88 118.16 113.65 1tl5 n LYS 38 Ca 0.14 0.63 -0.19 0.00 -2.02 0.00 0.00 58.31 56.87 1tl5 n LYS 38 Cb 0.30 -4.98 -0.11 0.00 -0.02 0.00 0.00 35.03 30.21 1tl5 n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1tl5 s LYS 39 N -5.57 1.12 0.06 1.97 1.02 0.17 -0.58 119.74 117.94 1tl5 s LYS 39 Ca 0.28 -1.31 0.07 0.00 0.02 0.00 0.00 55.97 55.04 1tl5 s LYS 39 Cb -0.07 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.13 1tl5 s LYS 39 CO 0.81 0.21 -0.21 0.08 -0.92 0.00 0.00 175.35 175.33 1tl5 s VAL 40 N -2.11 1.66 -0.10 3.17 1.01 0.26 -0.20 120.40 124.09 1tl5 s VAL 40 Ca 0.12 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.83 1tl5 s VAL 40 Cb -0.05 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1tl5 s VAL 40 CO 0.04 0.13 -0.15 0.00 0.00 0.00 0.00 175.10 175.12 1tl5 s ILE 42 N 0.90 3.38 -0.64 0.00 1.01 0.29 0.11 121.20 126.24 1tl5 s ILE 42 Ca -0.08 -2.12 -0.09 0.00 0.00 0.00 0.00 60.65 58.35 1tl5 s ILE 42 Cb -0.15 -3.30 0.17 0.00 0.01 0.00 0.00 42.46 39.18 1tl5 s ILE 42 CO -0.00 -0.72 0.53 -0.70 0.00 0.00 0.00 174.94 174.05 1tl5 s GLU 43 N 1.04 2.93 0.37 2.79 2.12 -1.23 -0.88 118.70 125.84 1tl5 s GLU 43 Ca 0.09 -2.23 -0.12 0.00 0.36 0.00 0.00 54.97 53.07 1tl5 s GLU 43 Cb -0.23 -4.07 0.04 0.00 0.26 0.00 0.00 34.13 30.13 1tl5 s GLU 43 CO -0.04 -1.23 0.71 0.45 -0.54 0.00 0.00 175.26 174.61 1tl5 s SER 44 N 1.98 0.23 -1.07 -1.70 0.15 -1.26 -4.46 113.70 107.58 1tl5 s SER 44 Ca 0.13 -1.22 -0.03 0.00 0.70 0.00 0.00 55.95 55.53 1tl5 s SER 44 Cb -0.19 0.80 0.31 0.00 -1.71 0.00 0.00 66.02 65.23 1tl5 s SER 44 CO -0.04 -1.58 1.58 1.21 1.20 0.00 0.00 173.24 175.61 1tl5 n GLU 45 N -0.54 4.73 -4.01 5.44 4.07 -1.26 0.11 120.64 129.17 1tl5 n GLU 45 Ca -0.06 -4.57 -0.10 0.00 -0.06 0.00 0.00 57.16 52.37 1tl5 n GLU 45 Cb 0.60 -2.51 -0.11 0.00 -0.06 0.00 0.00 31.44 29.37 1tl5 n GLU 45 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1tl5 s HIS 46 N -3.15 0.40 0.47 4.31 3.76 -1.26 -4.92 115.29 114.91 1tl5 s HIS 46 Ca 0.33 -0.56 -0.23 0.00 -0.15 0.00 0.00 55.06 54.46 1tl5 s HIS 46 Cb 0.09 -0.27 -0.07 0.00 1.11 0.00 0.00 32.58 33.44 1tl5 s HIS 46 CO 0.05 -0.17 1.19 0.45 -0.85 0.00 0.00 174.74 175.41 1tl5 s SER 47 N -1.61 6.06 0.23 1.40 0.15 -1.26 -4.65 113.70 114.02 1tl5 s SER 47 Ca -0.12 2.36 -0.17 0.00 0.70 0.00 0.00 55.95 58.71 1tl5 s SER 47 Cb -0.09 -2.61 0.25 0.00 -1.71 0.00 0.00 66.02 61.87 1tl5 s SER 47 CO -0.01 -1.00 1.56 -0.03 1.20 0.00 0.00 173.24 174.95 1tl5 h MET 48 N 1.96 -0.01 -0.15 5.44 4.05 -1.97 -0.61 114.93 123.64 1tl5 h MET 48 Ca -0.50 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 58.95 1tl5 h MET 48 Cb 1.25 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.00 1tl5 h MET 48 CO 0.60 -0.01 -0.47 0.22 0.23 0.00 0.00 176.91 177.48 1tl5 h ASP 49 N -0.01 -1.50 -0.70 1.39 3.58 -1.98 0.81 116.42 118.00 1tl5 h ASP 49 Ca 0.35 0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.93 1tl5 h ASP 49 Cb 0.61 0.59 -0.03 0.00 1.72 0.00 0.00 39.33 42.21 1tl5 h ASP 49 CO -0.97 -0.41 0.24 0.74 -2.88 0.00 0.00 179.24 175.96 1tl5 h THR 50 N -0.48 1.25 0.25 2.25 2.02 -1.67 0.15 112.91 116.69 1tl5 h THR 50 Ca 0.03 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 1tl5 h THR 50 Cb 0.57 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1tl5 h THR 50 CO -0.39 0.34 -0.15 -0.07 0.37 0.00 0.00 175.52 175.62 1tl5 h LEU 51 N 1.06 -0.36 -0.77 2.58 3.38 -1.01 -2.71 115.31 117.48 1tl5 h LEU 51 Ca 0.23 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.29 1tl5 h LEU 51 Cb 0.28 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 1tl5 h LEU 51 CO -0.01 -0.23 -0.51 0.25 0.09 0.00 0.00 178.44 178.03 1tl5 h LEU 52 N -0.37 -1.85 -1.14 1.67 6.46 0.08 0.14 115.31 120.29 1tl5 h LEU 52 Ca -0.03 0.27 0.10 0.00 -0.12 0.00 0.00 57.88 58.10 1tl5 h LEU 52 Cb 0.29 0.81 -0.07 0.00 -0.73 0.00 0.00 40.66 40.96 1tl5 h LEU 52 CO 0.04 -0.23 0.60 0.00 -0.62 0.00 0.00 178.44 178.22 1tl5 h ALA 53 N 0.21 1.59 0.68 1.25 0.00 -0.85 0.80 119.26 122.94 1tl5 h ALA 53 Ca 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1tl5 h ALA 53 Cb 0.39 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1tl5 h ALA 53 CO -0.76 0.22 -0.33 1.15 0.00 0.00 0.00 179.25 179.53 1tl5 h THR 54 N 0.94 0.00 0.00 0.00 2.02 -0.53 -3.31 112.91 112.03 1tl5 h THR 54 Ca 0.43 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1tl5 h THR 54 Cb 0.40 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1tl5 h THR 54 CO -0.19 0.00 -0.05 0.17 0.37 0.00 0.00 175.52 175.82 1tl5 h LEU 55 N -1.17 0.00 -1.16 2.58 8.10 -0.28 -0.66 115.31 122.73 1tl5 h LEU 55 Ca -0.09 0.00 0.35 0.00 0.11 0.00 0.00 57.88 58.25 1tl5 h LEU 55 Cb 0.70 0.00 -0.14 0.00 -0.44 0.00 0.00 40.66 40.78 1tl5 h LEU 55 CO 0.15 0.05 0.66 0.50 -4.11 0.00 0.00 178.44 175.69 1tl5 h LYS 56 N 0.00 0.23 0.00 0.17 3.64 -0.94 -1.01 116.57 118.66 1tl5 h LYS 56 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1tl5 h LYS 56 Cb 0.09 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1tl5 h LYS 56 CO 0.01 0.15 0.00 1.63 -2.27 0.00 0.00 179.45 178.97 1tl5 n LYS 57 N -4.91 0.05 0.28 1.90 5.02 -0.25 -0.67 118.16 119.57 1tl5 n LYS 57 Ca 0.33 0.43 0.13 0.00 -2.02 0.00 0.00 58.31 57.18 1tl5 n LYS 57 Cb 1.12 -1.62 0.82 0.00 -0.02 0.00 0.00 35.03 35.33 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 0.65 -4.28 -0.18 1.35 -1.38 -3.47 112.91 105.60 1tl5 h THR 58 Ca 0.00 -0.11 -0.21 0.00 -0.55 0.00 0.00 66.41 65.54 1tl5 h THR 58 Cb 0.13 1.07 0.11 0.00 -1.73 0.00 0.00 68.15 67.72 1tl5 h THR 58 CO 0.00 0.03 -0.48 0.61 -0.25 0.00 0.00 175.52 175.43 1tl5 n GLY 59 N -1.26 -0.06 3.26 5.82 0.00 0.15 -5.05 105.19 108.06 1tl5 n GLY 59 Ca -0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1tl5 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tl5 s LYS 60 N -4.89 1.25 0.00 1.61 1.02 -1.26 -5.04 119.74 112.42 1tl5 s LYS 60 Ca 0.01 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.36 1tl5 s LYS 60 Cb -0.01 -0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.19 1tl5 s LYS 60 CO 0.46 -0.27 0.57 2.41 -0.92 0.00 0.00 175.35 177.60 1tl5 n THR 61 N -0.33 0.57 -2.49 2.17 -1.04 -1.26 -4.76 114.28 107.13 1tl5 n THR 61 Ca -0.02 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.58 1tl5 n THR 61 Cb 0.65 -0.80 -0.03 0.00 -1.82 0.00 0.00 70.33 68.34 1tl5 n THR 61 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1tl5 s VAL 62 N 0.49 3.88 -0.02 12.58 0.11 -1.26 -4.15 120.40 132.04 1tl5 s VAL 62 Ca 0.00 -0.87 -0.02 0.00 -2.93 0.00 0.00 61.98 58.16 1tl5 s VAL 62 Cb 0.00 -4.94 -0.04 0.00 -1.53 0.00 0.00 36.38 29.87 1tl5 s VAL 62 CO 0.00 -1.82 0.14 -0.44 -3.33 0.00 0.00 175.10 169.65 1tl5 s SER 63 N 5.27 6.10 -0.09 3.54 0.01 0.34 -4.86 113.70 124.00 1tl5 s SER 63 Ca 0.50 0.28 -0.18 0.00 1.31 0.00 0.00 55.95 57.86 1tl5 s SER 63 Cb -0.00 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 1tl5 s SER 63 CO -0.06 0.28 0.49 -0.47 0.41 0.00 0.00 173.24 173.89 1tl5 s TYR 64 N -1.25 3.56 -0.44 2.43 5.04 -1.26 -0.74 117.35 124.69 1tl5 s TYR 64 Ca 0.24 0.94 0.06 0.00 -2.44 0.00 0.00 57.07 55.88 1tl5 s TYR 64 Cb -0.12 -2.53 0.18 0.00 0.35 0.00 0.00 41.96 39.83 1tl5 s TYR 64 CO 0.16 0.24 0.57 -0.48 -1.34 0.00 0.00 175.55 174.70 1tl5 s LEU 65 N 0.35 -0.86 0.00 6.97 -0.00 0.44 -4.90 118.68 120.68 1tl5 s LEU 65 Ca 0.26 -1.53 0.00 0.00 -0.00 0.00 0.00 54.13 52.87 1tl5 s LEU 65 Cb -0.16 1.37 0.00 0.00 -0.00 0.00 0.00 46.19 47.41 1tl5 s LEU 65 CO 0.11 -0.15 0.00 0.61 -0.00 0.00 0.00 176.35 176.92 1tl5 n GLY 66 N 3.72 2.65 3.35 -3.48 0.00 -1.24 -4.52 105.19 105.67 1tl5 n GLY 66 Ca 0.15 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 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 0.23 0.00 0.99 2.34 -1.26 -0.42 118.68 120.56 1tl5 s LEU 67 Ca 0.00 0.30 0.00 0.00 0.06 0.00 0.00 54.13 54.49 1tl5 s LEU 67 Cb 0.00 1.81 0.00 0.00 -0.56 0.00 0.00 46.19 47.44 1tl5 s LEU 67 CO 0.00 -0.55 0.00 1.21 -1.06 0.00 0.00 176.35 175.95