#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl5 n PRO 2 N 0.00 0.00 -4.03 2.12 -0.04 -1.25 -2.49 135.00 129.31 1tl5 n PRO 2 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1tl5 n PRO 2 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 1tl5 n PRO 2 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1tl5 s LYS 3 N 1.43 3.00 -0.01 0.54 2.20 0.98 -0.90 119.74 126.98 1tl5 s LYS 3 Ca 0.00 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1tl5 s LYS 3 Cb 0.00 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 1tl5 s LYS 3 CO 0.00 0.55 0.03 -1.01 -0.36 0.00 0.00 175.35 174.56 1tl5 s HIS 4 N -1.50 -0.03 -0.02 4.03 3.76 0.31 -2.75 115.29 119.09 1tl5 s HIS 4 Ca 0.31 0.08 0.05 0.00 -0.15 0.00 0.00 55.06 55.35 1tl5 s HIS 4 Cb -0.12 0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.56 1tl5 s HIS 4 CO 0.24 -0.02 -0.17 -1.21 -0.85 0.00 0.00 174.74 172.73 1tl5 s GLU 5 N 0.02 2.32 -0.12 1.40 2.02 0.19 -0.41 118.70 124.12 1tl5 s GLU 5 Ca -0.00 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 1tl5 s GLU 5 Cb -0.00 -2.27 0.05 0.00 0.10 0.00 0.00 34.13 32.00 1tl5 s GLU 5 CO 0.00 0.59 0.28 -0.06 0.02 0.00 0.00 175.26 176.09 1tl5 s PHE 6 N -0.78 -0.37 0.15 1.61 0.40 0.63 -0.30 117.98 119.32 1tl5 s PHE 6 Ca 0.12 0.87 -0.14 0.00 -0.60 0.00 0.00 56.93 57.18 1tl5 s PHE 6 Cb -0.10 0.09 -0.07 0.00 0.51 0.00 0.00 43.02 43.45 1tl5 s PHE 6 CO 0.02 -0.24 0.55 -1.12 0.70 0.00 0.00 175.22 175.12 1tl5 s SER 7 N 1.17 6.82 0.07 1.36 0.01 -1.11 -0.63 113.70 121.39 1tl5 s SER 7 Ca -0.08 1.07 -0.00 0.00 1.31 0.00 0.00 55.95 58.25 1tl5 s SER 7 Cb -0.09 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1tl5 s SER 7 CO -0.08 0.10 -0.03 -0.69 0.41 0.00 0.00 173.24 172.95 1tl5 s VAL 8 N -1.47 0.34 -0.55 3.43 1.01 0.41 -0.88 120.40 122.69 1tl5 s VAL 8 Ca 0.38 -1.86 0.04 0.00 0.00 0.00 0.00 61.98 60.54 1tl5 s VAL 8 Cb -0.15 -1.63 0.15 0.00 0.00 0.00 0.00 36.38 34.75 1tl5 s VAL 8 CO 0.19 -0.90 0.34 -0.62 0.00 0.00 0.00 175.10 174.11 1tl5 s ASP 9 N -2.97 4.05 -0.33 3.32 2.15 -1.22 -4.70 116.67 116.97 1tl5 s ASP 9 Ca 0.10 -3.19 0.03 0.00 0.43 0.00 0.00 52.55 49.92 1tl5 s ASP 9 Cb 0.07 -1.37 0.10 0.00 -0.30 0.00 0.00 42.92 41.42 1tl5 s ASP 9 CO -0.07 -0.19 0.06 -0.04 -0.17 0.00 0.00 175.17 174.76 1tl5 s MET 10 N -0.47 1.29 -0.33 4.34 -1.94 -1.26 -4.55 119.30 116.39 1tl5 s MET 10 Ca 0.21 -1.61 0.17 0.00 -1.71 0.00 0.00 55.69 52.74 1tl5 s MET 10 Cb -0.16 -2.84 0.46 0.00 2.01 0.00 0.00 34.83 34.30 1tl5 s MET 10 CO -0.07 -0.93 1.01 2.41 -0.01 0.00 0.00 175.02 177.42 1tl5 n THR 11 N 4.43 1.28 -2.85 2.05 -1.04 -1.26 -4.89 114.28 112.01 1tl5 n THR 11 Ca 0.01 -3.34 -0.12 0.00 -2.04 0.00 0.00 64.05 58.57 1tl5 n THR 11 Cb 0.42 0.44 0.03 0.00 -1.82 0.00 0.00 70.33 69.40 1tl5 n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tl5 n GLY 13 N 1.30 0.36 0.07 0.00 0.00 -1.26 -0.63 105.19 105.03 1tl5 n GLY 13 Ca 0.12 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.35 1tl5 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tl5 n GLY 14 N 0.00 -0.65 0.32 -0.02 0.00 -1.26 -0.73 105.19 102.85 1tl5 n GLY 14 Ca 0.00 0.09 0.28 0.00 0.00 0.00 0.00 46.02 46.39 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 1.96 0.75 -0.41 0.00 0.00 -1.21 -0.81 119.26 119.54 1tl5 h ALA 16 Ca 0.80 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.60 1tl5 h ALA 16 Cb 2.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 1tl5 h ALA 16 CO -0.75 0.34 0.17 0.93 0.00 0.00 0.00 179.25 179.94 1tl5 h GLU 17 N 0.79 0.33 -0.21 0.00 5.08 -0.94 0.19 114.58 119.83 1tl5 h GLU 17 Ca 0.19 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1tl5 h GLU 17 Cb 0.17 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1tl5 h GLU 17 CO -0.02 0.22 -0.11 0.00 -1.00 0.00 0.00 179.01 178.10 1tl5 h ALA 18 N 1.25 0.06 0.96 3.43 0.00 -0.13 0.17 119.26 124.99 1tl5 h ALA 18 Ca 0.19 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1tl5 h ALA 18 Cb 0.15 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1tl5 h ALA 18 CO -0.17 -0.53 -0.46 0.28 0.00 0.00 0.00 179.25 178.36 1tl5 h VAL 19 N -0.09 0.06 -0.36 0.00 2.07 -0.95 -1.03 116.25 115.95 1tl5 h VAL 19 Ca 0.11 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.70 1tl5 h VAL 19 Cb 0.26 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 1tl5 h VAL 19 CO -0.27 0.00 -0.02 0.77 0.02 0.00 0.00 177.57 178.07 1tl5 h SER 20 N -1.29 -0.19 0.21 0.57 4.64 -0.72 0.18 113.55 116.95 1tl5 h SER 20 Ca -0.13 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1tl5 h SER 20 Cb 0.99 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 1tl5 h SER 20 CO 0.22 -0.06 -0.29 0.03 -0.87 0.00 0.00 176.83 175.86 1tl5 h ARG 21 N 0.07 -0.55 -0.46 4.77 3.08 -0.68 0.25 114.38 120.87 1tl5 h ARG 21 Ca 0.17 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1tl5 h ARG 21 Cb 0.25 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1tl5 h ARG 21 CO -0.31 -0.36 0.17 -0.24 -1.07 0.00 0.00 179.97 178.16 1tl5 h VAL 22 N -0.57 1.21 -0.44 2.04 3.04 -0.72 0.16 116.25 120.98 1tl5 h VAL 22 Ca 0.01 -0.67 0.02 0.00 -1.01 0.00 0.00 66.70 65.04 1tl5 h VAL 22 Cb 0.55 0.79 -0.03 0.00 -2.01 0.00 0.00 31.29 30.60 1tl5 h VAL 22 CO -0.11 0.25 0.27 -0.07 -1.01 0.00 0.00 177.57 176.89 1tl5 h LEU 23 N 0.60 0.45 -0.19 3.16 -0.00 -0.91 -1.58 115.31 116.85 1tl5 h LEU 23 Ca 0.15 -0.00 0.05 0.00 -0.00 0.00 0.00 57.88 58.08 1tl5 h LEU 23 Cb 0.22 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 40.73 1tl5 h LEU 23 CO -0.01 0.32 -0.12 -1.13 -0.00 0.00 0.00 178.44 177.50 1tl5 h ASN 24 N 0.55 -0.39 -0.81 -0.43 -1.24 -0.17 -2.55 115.58 110.54 1tl5 h ASN 24 Ca 0.17 0.09 0.16 0.00 0.71 0.00 0.00 56.30 57.43 1tl5 h ASN 24 Cb -0.01 0.20 -0.06 0.00 0.73 0.00 0.00 38.32 39.19 1tl5 h ASN 24 CO -0.07 -0.15 0.54 0.11 -1.29 0.00 0.00 177.43 176.56 1tl5 h LYS 25 N -0.11 0.46 -0.79 6.67 1.79 -0.04 0.11 116.57 124.65 1tl5 h LYS 25 Ca 0.11 -0.03 0.18 0.00 -2.18 0.00 0.00 60.65 58.73 1tl5 h LYS 25 Cb 0.28 -0.10 -0.11 0.00 -1.58 0.00 0.00 32.23 30.71 1tl5 h LYS 25 CO -0.26 0.30 0.26 1.25 -1.08 0.00 0.00 179.45 179.93 1tl5 h LEU 26 N 0.47 0.15 0.00 2.94 7.12 -0.86 -3.47 115.31 121.66 1tl5 h LEU 26 Ca 0.40 0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.56 1tl5 h LEU 26 Cb 0.88 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.17 1tl5 h LEU 26 CO -0.15 -0.00 0.00 0.61 -0.13 0.00 0.00 178.44 178.77 1tl5 n GLY 27 N -1.35 -2.04 2.73 3.75 0.00 0.38 -4.99 105.19 103.67 1tl5 n GLY 27 Ca 0.17 0.78 -0.03 0.00 0.00 0.00 0.00 46.02 46.93 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 1.76 3.80 -0.02 0.00 -1.26 -4.92 105.19 104.55 1tl5 n GLY 28 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.62 3.75 -0.32 1.61 0.11 -1.26 -5.03 120.40 117.64 1tl5 s VAL 29 Ca 0.20 1.10 -0.21 0.00 -2.93 0.00 0.00 61.98 60.13 1tl5 s VAL 29 Cb 0.40 -3.45 -0.00 0.00 -1.53 0.00 0.00 36.38 31.80 1tl5 s VAL 29 CO -0.07 -0.23 0.67 -0.75 -3.33 0.00 0.00 175.10 171.40 1tl5 s LYS 30 N -3.21 3.85 -0.06 1.54 2.36 -1.26 -4.81 119.74 118.14 1tl5 s LYS 30 Ca 0.67 0.29 -0.02 0.00 -2.55 0.00 0.00 55.97 54.37 1tl5 s LYS 30 Cb -0.17 -3.75 -0.04 0.00 -1.05 0.00 0.00 37.83 32.82 1tl5 s LYS 30 CO 0.20 -0.65 0.05 1.52 1.55 0.00 0.00 175.35 178.02 1tl5 s TYR 31 N 2.74 3.27 -0.41 4.03 -0.85 -1.26 -1.27 117.35 123.59 1tl5 s TYR 31 Ca 0.27 0.25 0.03 0.00 -0.52 0.00 0.00 57.07 57.10 1tl5 s TYR 31 Cb -0.14 -1.79 0.11 0.00 0.38 0.00 0.00 41.96 40.51 1tl5 s TYR 31 CO 0.13 0.54 0.14 -0.51 -1.52 0.00 0.00 175.55 174.33 1tl5 s ASP 32 N -1.18 4.67 -0.45 -0.18 1.11 0.48 -4.98 116.67 116.14 1tl5 s ASP 32 Ca 0.17 -2.46 -0.11 0.00 0.18 0.00 0.00 52.55 50.32 1tl5 s ASP 32 Cb -0.12 -1.65 0.09 0.00 1.07 0.00 0.00 42.92 42.31 1tl5 s ASP 32 CO 0.06 -0.34 0.33 -0.63 1.18 0.00 0.00 175.17 175.77 1tl5 s ILE 33 N 0.49 4.58 -0.22 0.77 1.01 -1.26 -0.54 121.20 126.03 1tl5 s ILE 33 Ca 0.13 -1.38 -0.26 0.00 0.00 0.00 0.00 60.65 59.14 1tl5 s ILE 33 Cb -0.22 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 1tl5 s ILE 33 CO -0.05 -0.60 0.90 -0.62 0.00 0.00 0.00 174.94 174.57 1tl5 s ASP 34 N 2.46 6.95 -0.07 3.58 -1.08 0.44 -4.98 116.67 123.97 1tl5 s ASP 34 Ca 0.04 1.18 -0.11 0.00 -0.52 0.00 0.00 52.55 53.13 1tl5 s ASP 34 Cb -0.24 -2.48 -0.08 0.00 -1.46 0.00 0.00 42.92 38.66 1tl5 s ASP 34 CO 0.03 -0.55 0.44 -0.07 0.52 0.00 0.00 175.17 175.55 1tl5 h LEU 35 N 9.10 -0.21 0.23 -1.34 -0.00 -1.96 -3.18 115.31 117.95 1tl5 h LEU 35 Ca -0.23 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.51 1tl5 h LEU 35 Cb 1.09 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1tl5 h LEU 35 CO 0.90 0.31 -0.11 1.55 -0.00 0.00 0.00 178.44 181.09 1tl5 h PRO 36 N -1.03 -0.30 -0.00 1.13 0.13 -1.96 -3.32 132.00 126.66 1tl5 h PRO 36 Ca -0.02 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1tl5 h PRO 36 Cb 0.32 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1tl5 h PRO 36 CO 0.04 -0.03 -0.02 0.09 -0.23 0.00 0.00 178.00 177.85 1tl5 n ASN 37 N -5.12 0.02 -2.76 1.44 3.02 -1.26 -4.91 115.26 105.68 1tl5 n ASN 37 Ca -0.09 0.41 -0.14 0.00 -0.03 0.00 0.00 54.58 54.73 1tl5 n ASN 37 Cb 0.22 -0.45 0.06 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.48 -5.24 -4.33 3.52 4.76 -1.20 -4.90 118.16 109.29 1tl5 n LYS 38 Ca 0.08 0.61 -0.28 0.00 -2.87 0.00 0.00 58.31 55.84 1tl5 n LYS 38 Cb 0.33 -4.96 -0.11 0.00 -1.84 0.00 0.00 35.03 28.45 1tl5 n LYS 38 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1tl5 s LYS 39 N -5.39 1.77 -0.04 1.97 3.01 -1.22 -0.44 119.74 119.39 1tl5 s LYS 39 Ca 0.18 -1.27 0.07 0.00 -1.01 0.00 0.00 55.97 53.93 1tl5 s LYS 39 Cb -0.08 -2.06 -0.02 0.00 -1.01 0.00 0.00 37.83 34.67 1tl5 s LYS 39 CO 0.53 0.45 -0.25 0.08 0.51 0.00 0.00 175.35 176.67 1tl5 s VAL 40 N -1.35 2.09 0.25 3.17 1.01 0.20 -0.42 120.40 125.35 1tl5 s VAL 40 Ca 0.20 -1.07 0.10 0.00 0.00 0.00 0.00 61.98 61.20 1tl5 s VAL 40 Cb -0.10 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1tl5 s VAL 40 CO 0.11 0.58 -0.07 0.00 0.00 0.00 0.00 175.10 175.71 1tl5 s ILE 42 N -2.25 0.74 -0.41 0.00 1.01 0.45 -0.39 121.20 120.35 1tl5 s ILE 42 Ca 0.30 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1tl5 s ILE 42 Cb -0.06 -0.68 0.16 0.00 0.01 0.00 0.00 42.46 41.89 1tl5 s ILE 42 CO 0.18 -0.01 0.31 -0.70 0.00 0.00 0.00 174.94 174.71 1tl5 s GLU 43 N -0.80 0.90 -0.04 2.79 2.12 -0.39 -0.53 118.70 122.75 1tl5 s GLU 43 Ca -0.01 -1.94 -0.30 0.00 0.36 0.00 0.00 54.97 53.08 1tl5 s GLU 43 Cb -0.06 -1.52 0.08 0.00 0.26 0.00 0.00 34.13 32.88 1tl5 s GLU 43 CO 0.00 -1.32 0.70 -1.12 -0.54 0.00 0.00 175.26 172.99 1tl5 s SER 44 N 0.29 -0.62 -0.94 -1.70 0.01 -0.08 -4.12 113.70 106.55 1tl5 s SER 44 Ca 0.28 0.61 -0.08 0.00 1.31 0.00 0.00 55.95 58.06 1tl5 s SER 44 Cb -0.05 0.52 -0.06 0.00 0.21 0.00 0.00 66.02 66.63 1tl5 s SER 44 CO -0.13 -0.62 2.13 1.21 0.41 0.00 0.00 173.24 176.23 1tl5 n GLU 45 N 0.74 2.10 -4.18 12.44 2.13 -1.04 -2.28 120.64 130.56 1tl5 n GLU 45 Ca -0.18 -1.54 -0.16 0.00 0.66 0.00 0.00 57.16 55.94 1tl5 n GLU 45 Cb 0.58 -2.52 -0.15 0.00 0.27 0.00 0.00 31.44 29.62 1tl5 n GLU 45 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1tl5 s HIS 46 N 3.52 0.52 0.50 4.31 3.76 -1.26 -4.91 115.29 121.72 1tl5 s HIS 46 Ca 0.43 -0.10 -0.21 0.00 -0.15 0.00 0.00 55.06 55.03 1tl5 s HIS 46 Cb 0.11 -0.35 -0.07 0.00 1.11 0.00 0.00 32.58 33.38 1tl5 s HIS 46 CO -0.02 -0.02 1.13 0.45 -0.85 0.00 0.00 174.74 175.42 1tl5 s SER 47 N -0.04 6.02 0.21 1.40 0.15 -1.26 0.81 113.70 120.98 1tl5 s SER 47 Ca 0.01 2.18 -0.16 0.00 0.70 0.00 0.00 55.95 58.69 1tl5 s SER 47 Cb -0.03 -2.59 0.22 0.00 -1.71 0.00 0.00 66.02 61.91 1tl5 s SER 47 CO -0.00 -1.01 1.42 0.80 1.20 0.00 0.00 173.24 175.64 1tl5 n MET 48 N -0.90 -0.21 0.22 5.44 1.56 -1.26 -1.28 117.12 120.69 1tl5 n MET 48 Ca 0.09 1.40 -0.15 0.00 -0.27 0.00 0.00 57.70 58.78 1tl5 n MET 48 Cb 0.50 -2.08 -0.07 0.00 2.15 0.00 0.00 33.22 33.71 1tl5 n MET 48 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 1tl5 h ASP 49 N 0.00 -0.84 -0.17 6.12 5.19 -1.98 0.13 116.42 124.87 1tl5 h ASP 49 Ca 0.32 0.07 0.04 0.00 -0.62 0.00 0.00 57.03 56.84 1tl5 h ASP 49 Cb 0.55 0.28 -0.04 0.00 0.18 0.00 0.00 39.33 40.29 1tl5 h ASP 49 CO -0.91 -0.46 -0.10 0.74 -3.12 0.00 0.00 179.24 175.39 1tl5 h THR 50 N -0.68 0.68 0.59 0.35 2.02 -1.83 1.00 112.91 115.04 1tl5 h THR 50 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1tl5 h THR 50 Cb 0.61 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1tl5 h THR 50 CO -0.04 0.00 -0.42 -0.07 0.37 0.00 0.00 175.52 175.36 1tl5 h LEU 51 N -0.10 -1.09 -0.31 2.58 3.38 -0.89 -1.54 115.31 117.34 1tl5 h LEU 51 Ca 0.10 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1tl5 h LEU 51 Cb 0.25 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1tl5 h LEU 51 CO -0.23 -0.63 -0.32 0.25 0.09 0.00 0.00 178.44 177.61 1tl5 h LEU 52 N -0.98 -1.09 -1.27 1.67 7.12 -0.41 0.12 115.31 120.47 1tl5 h LEU 52 Ca -0.07 0.15 0.11 0.00 0.13 0.00 0.00 57.88 58.19 1tl5 h LEU 52 Cb 0.81 0.45 -0.06 0.00 -0.53 0.00 0.00 40.66 41.34 1tl5 h LEU 52 CO 0.04 -0.20 0.55 0.00 -0.13 0.00 0.00 178.44 178.70 1tl5 h ALA 53 N -0.49 1.72 0.36 1.25 0.00 -0.77 0.84 119.26 122.17 1tl5 h ALA 53 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1tl5 h ALA 53 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1tl5 h ALA 53 CO -0.38 0.09 -0.17 1.15 0.00 0.00 0.00 179.25 179.94 1tl5 h THR 54 N 0.79 0.00 -0.22 0.00 2.02 -0.50 -3.34 112.91 111.66 1tl5 h THR 54 Ca 0.40 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.46 1tl5 h THR 54 Cb 0.48 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1tl5 h THR 54 CO -0.17 0.00 0.14 0.17 0.37 0.00 0.00 175.52 176.03 1tl5 h LEU 55 N -0.61 0.25 -1.06 2.58 8.10 -0.20 -1.38 115.31 122.99 1tl5 h LEU 55 Ca -0.05 -0.01 0.40 0.00 0.11 0.00 0.00 57.88 58.33 1tl5 h LEU 55 Cb 0.37 -0.06 -0.14 0.00 -0.44 0.00 0.00 40.66 40.39 1tl5 h LEU 55 CO 0.08 0.19 0.64 1.17 -4.11 0.00 0.00 178.44 176.41 1tl5 n LYS 56 N -4.50 -0.04 0.29 0.17 4.81 0.23 -1.11 118.16 118.01 1tl5 n LYS 56 Ca 0.00 1.17 0.16 0.00 -0.87 0.00 0.00 58.31 58.77 1tl5 n LYS 56 Cb 0.08 -2.20 0.86 0.00 0.02 0.00 0.00 35.03 33.79 1tl5 n LYS 56 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1tl5 h LYS 57 N 0.00 0.00 -0.02 1.64 1.57 -1.42 1.00 116.57 119.35 1tl5 h LYS 57 Ca 0.77 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.54 1tl5 h LYS 57 Cb 2.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.58 1tl5 h LYS 57 CO -0.54 0.00 -0.05 1.79 -0.57 0.00 0.00 179.45 180.08 1tl5 h THR 58 N 0.00 1.05 -5.15 -0.16 1.35 -1.36 -3.47 112.91 105.17 1tl5 h THR 58 Ca 0.00 -0.21 -0.23 0.00 -0.55 0.00 0.00 66.41 65.42 1tl5 h THR 58 Cb 0.33 1.09 0.17 0.00 -1.73 0.00 0.00 68.15 68.01 1tl5 h THR 58 CO 0.00 0.06 -0.74 0.61 -0.25 0.00 0.00 175.52 175.20 1tl5 n GLY 59 N -1.36 -0.84 3.17 5.82 0.00 0.35 -5.05 105.19 107.27 1tl5 n GLY 59 Ca -0.03 0.43 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.32 0.99 0.00 1.61 -0.14 -1.26 -5.06 119.74 111.57 1tl5 s LYS 60 Ca 0.36 -1.48 -0.03 0.00 -1.36 0.00 0.00 55.97 53.46 1tl5 s LYS 60 Cb -0.05 0.17 -0.12 0.00 -1.68 0.00 0.00 37.83 36.15 1tl5 s LYS 60 CO 0.65 -0.26 2.38 2.41 -0.76 0.00 0.00 175.35 179.76 1tl5 n THR 61 N -0.14 2.02 -2.73 2.17 -1.04 -1.26 -4.84 114.28 108.46 1tl5 n THR 61 Ca -0.05 -0.85 -0.43 0.00 -2.04 0.00 0.00 64.05 60.69 1tl5 n THR 61 Cb 0.64 -1.68 -0.03 0.00 -1.82 0.00 0.00 70.33 67.44 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 1.02 4.52 0.35 12.58 0.11 -1.26 -3.40 120.40 134.32 1tl5 s VAL 62 Ca 0.31 1.35 0.08 0.00 -2.93 0.00 0.00 61.98 60.80 1tl5 s VAL 62 Cb 0.15 -4.39 -0.05 0.00 -1.53 0.00 0.00 36.38 30.56 1tl5 s VAL 62 CO 0.00 -0.58 0.09 -0.55 -3.33 0.00 0.00 175.10 170.74 1tl5 s SER 63 N 1.88 4.43 -0.18 3.54 0.15 -0.06 -5.00 113.70 118.46 1tl5 s SER 63 Ca 0.41 -0.91 -0.03 0.00 0.70 0.00 0.00 55.95 56.12 1tl5 s SER 63 Cb -0.11 -0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 63.57 1tl5 s SER 63 CO 0.19 -0.31 -0.05 -0.47 1.20 0.00 0.00 173.24 173.80 1tl5 s TYR 64 N -2.49 2.95 -0.43 3.44 5.04 -1.26 -2.75 117.35 121.84 1tl5 s TYR 64 Ca 0.37 -0.63 0.06 0.00 -2.44 0.00 0.00 57.07 54.43 1tl5 s TYR 64 Cb -0.00 -2.01 0.17 0.00 0.35 0.00 0.00 41.96 40.47 1tl5 s TYR 64 CO 0.21 -0.29 0.55 -0.48 -1.34 0.00 0.00 175.55 174.20 1tl5 s LEU 65 N 0.86 -0.66 0.00 6.97 -0.00 0.59 -4.97 118.68 121.47 1tl5 s LEU 65 Ca -0.01 -1.65 0.00 0.00 -0.00 0.00 0.00 54.13 52.46 1tl5 s LEU 65 Cb -0.15 1.20 0.00 0.00 -0.00 0.00 0.00 46.19 47.24 1tl5 s LEU 65 CO 0.01 -0.16 0.00 0.61 -0.00 0.00 0.00 176.35 176.82 1tl5 n GLY 66 N 3.66 3.34 3.39 -3.48 0.00 -1.24 -4.49 105.19 106.37 1tl5 n GLY 66 Ca 0.16 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.08 0.00 0.99 2.34 -1.26 -0.63 118.68 120.03 1tl5 s LEU 67 Ca 0.00 -0.20 0.00 0.00 0.06 0.00 0.00 54.13 53.99 1tl5 s LEU 67 Cb 0.00 2.23 0.00 0.00 -0.56 0.00 0.00 46.19 47.86 1tl5 s LEU 67 CO 0.00 -0.94 0.00 1.21 -1.06 0.00 0.00 176.35 175.56