#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 -4.64 0.03 -0.04 -1.26 -3.20 135.00 125.89 1tl5 n PRO 2 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1tl5 n PRO 2 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 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 0.78 2.11 -0.03 0.54 2.20 0.14 -2.15 119.74 123.35 1tl5 s LYS 3 Ca 0.00 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.65 1tl5 s LYS 3 Cb 0.00 -2.21 0.03 0.00 -1.51 0.00 0.00 37.83 34.13 1tl5 s LYS 3 CO 0.00 0.54 0.02 -1.01 -0.36 0.00 0.00 175.35 174.54 1tl5 s HIS 4 N -0.93 0.17 -0.01 4.03 3.76 0.50 -0.81 115.29 122.00 1tl5 s HIS 4 Ca 0.15 0.07 -0.00 0.00 -0.15 0.00 0.00 55.06 55.12 1tl5 s HIS 4 Cb -0.11 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 1tl5 s HIS 4 CO 0.05 -0.11 0.07 -1.21 -0.85 0.00 0.00 174.74 172.70 1tl5 s GLU 5 N 1.07 3.05 -0.05 1.40 0.41 0.25 -0.67 118.70 124.16 1tl5 s GLU 5 Ca -0.09 -0.48 -0.06 0.00 -0.41 0.00 0.00 54.97 53.93 1tl5 s GLU 5 Cb -0.13 -2.85 0.01 0.00 -1.78 0.00 0.00 34.13 29.38 1tl5 s GLU 5 CO -0.02 0.65 0.16 -0.06 -0.49 0.00 0.00 175.26 175.49 1tl5 s PHE 6 N -1.17 -0.15 0.09 1.61 0.40 0.66 -0.20 117.98 119.22 1tl5 s PHE 6 Ca 0.22 0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 56.88 1tl5 s PHE 6 Cb -0.12 0.05 -0.05 0.00 0.51 0.00 0.00 43.02 43.41 1tl5 s PHE 6 CO 0.13 -0.10 0.31 0.45 0.70 0.00 0.00 175.22 176.71 1tl5 s SER 7 N -0.06 6.46 0.09 1.36 0.15 -0.11 -0.69 113.70 120.91 1tl5 s SER 7 Ca -0.01 0.51 0.10 0.00 0.70 0.00 0.00 55.95 57.24 1tl5 s SER 7 Cb -0.02 -2.06 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 1tl5 s SER 7 CO 0.00 0.13 -0.25 -0.69 1.20 0.00 0.00 173.24 173.63 1tl5 s VAL 8 N -1.54 2.04 -0.58 4.45 1.01 0.00 -1.36 120.40 124.42 1tl5 s VAL 8 Ca 0.36 -1.55 0.04 0.00 0.00 0.00 0.00 61.98 60.84 1tl5 s VAL 8 Cb -0.13 -1.79 0.37 0.00 0.00 0.00 0.00 36.38 34.83 1tl5 s VAL 8 CO 0.23 0.14 1.14 -0.67 0.00 0.00 0.00 175.10 175.95 1tl5 n ASP 9 N 1.29 4.97 -3.57 3.32 2.03 0.94 -4.63 116.55 120.90 1tl5 n ASP 9 Ca -0.18 -3.71 -0.13 0.00 0.52 0.00 0.00 54.79 51.29 1tl5 n ASP 9 Cb 0.53 -0.60 -0.05 0.00 -0.72 0.00 0.00 41.12 40.28 1tl5 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tl5 s MET 10 N -3.60 1.06 0.00 -0.67 0.23 -1.26 -4.78 119.30 110.28 1tl5 s MET 10 Ca 0.48 -0.31 0.09 0.00 -1.03 0.00 0.00 55.69 54.91 1tl5 s MET 10 Cb 0.33 0.48 0.14 0.00 -1.53 0.00 0.00 34.83 34.25 1tl5 s MET 10 CO -0.17 -0.40 0.97 -2.37 -2.03 0.00 0.00 175.02 171.02 1tl5 n THR 11 N 0.26 0.00 -1.81 3.16 5.66 -1.26 -4.83 114.28 115.45 1tl5 n THR 11 Ca -0.18 -0.33 -0.41 0.00 -3.05 0.00 0.00 64.05 60.08 1tl5 n THR 11 Cb 0.61 0.58 -0.01 0.00 -1.55 0.00 0.00 70.33 69.96 1tl5 n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tl5 n GLY 13 N 3.31 0.18 0.07 0.00 0.00 -1.26 -0.97 105.19 106.53 1tl5 n GLY 13 Ca 0.57 0.27 0.06 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.76 0.32 -0.02 0.00 -1.26 -0.47 105.19 103.00 1tl5 n GLY 14 Ca 0.00 0.08 0.18 0.00 0.00 0.00 0.00 46.02 46.28 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 1.81 0.43 -0.57 0.00 0.00 -1.04 -2.14 119.26 117.75 1tl5 h ALA 16 Ca 0.64 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.37 1tl5 h ALA 16 Cb 1.38 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1tl5 h ALA 16 CO -0.63 0.24 0.19 0.93 0.00 0.00 0.00 179.25 179.98 1tl5 h GLU 17 N 0.37 0.36 0.20 0.00 4.39 -1.37 0.21 114.58 118.73 1tl5 h GLU 17 Ca 0.08 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1tl5 h GLU 17 Cb 0.53 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1tl5 h GLU 17 CO 0.03 0.24 -0.29 0.00 -1.16 0.00 0.00 179.01 177.82 1tl5 h ALA 18 N 1.40 -0.55 0.23 3.43 0.00 -0.52 0.14 119.26 123.39 1tl5 h ALA 18 Ca 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1tl5 h ALA 18 Cb 0.35 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1tl5 h ALA 18 CO -0.30 -0.85 -0.15 0.28 0.00 0.00 0.00 179.25 178.22 1tl5 h VAL 19 N -0.56 0.67 -0.06 0.00 2.07 -1.17 -1.79 116.25 115.41 1tl5 h VAL 19 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1tl5 h VAL 19 Cb 0.55 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1tl5 h VAL 19 CO -0.12 0.00 -0.23 -1.28 0.02 0.00 0.00 177.57 175.96 1tl5 h SER 20 N -0.38 -0.71 -0.24 0.57 0.87 -0.41 0.10 113.55 113.34 1tl5 h SER 20 Ca -0.02 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1tl5 h SER 20 Cb 0.32 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1tl5 h SER 20 CO 0.01 -0.29 0.13 0.03 -0.53 0.00 0.00 176.83 176.18 1tl5 h ARG 21 N -0.34 0.34 -0.42 2.24 3.08 -0.65 0.14 114.38 118.78 1tl5 h ARG 21 Ca 0.08 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1tl5 h ARG 21 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1tl5 h ARG 21 CO -0.25 0.32 0.17 -0.24 -1.07 0.00 0.00 179.97 178.90 1tl5 h VAL 22 N 0.28 1.20 -0.57 2.04 3.04 -1.11 0.16 116.25 121.29 1tl5 h VAL 22 Ca 0.09 -0.61 -0.03 0.00 -1.01 0.00 0.00 66.70 65.14 1tl5 h VAL 22 Cb 0.08 0.82 -0.03 0.00 -2.01 0.00 0.00 31.29 30.15 1tl5 h VAL 22 CO -0.01 0.22 0.25 -0.07 -1.01 0.00 0.00 177.57 176.95 1tl5 h LEU 23 N 0.53 0.75 -0.04 3.16 -0.00 -0.74 -0.40 115.31 118.59 1tl5 h LEU 23 Ca 0.14 -0.15 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1tl5 h LEU 23 Cb 0.19 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.61 1tl5 h LEU 23 CO -0.01 0.69 -0.19 -1.13 -0.00 0.00 0.00 178.44 177.80 1tl5 h ASN 24 N 0.77 -0.57 -0.96 -0.43 -1.24 -0.57 -2.61 115.58 109.96 1tl5 h ASN 24 Ca 0.19 0.09 0.17 0.00 0.71 0.00 0.00 56.30 57.46 1tl5 h ASN 24 Cb 0.15 0.24 -0.09 0.00 0.73 0.00 0.00 38.32 39.36 1tl5 h ASN 24 CO -0.02 -0.25 0.61 0.11 -1.29 0.00 0.00 177.43 176.58 1tl5 h LYS 25 N -0.29 0.68 -0.84 6.67 1.79 -0.16 -0.11 116.57 124.31 1tl5 h LYS 25 Ca 0.07 -0.04 0.17 0.00 -2.18 0.00 0.00 60.65 58.66 1tl5 h LYS 25 Cb 0.38 -0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 30.78 1tl5 h LYS 25 CO -0.21 0.45 0.39 1.25 -1.08 0.00 0.00 179.45 180.25 1tl5 h LEU 26 N 0.70 0.41 0.00 2.94 7.12 -0.68 -3.47 115.31 122.33 1tl5 h LEU 26 Ca 0.51 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.64 1tl5 h LEU 26 Cb 0.87 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 1tl5 h LEU 26 CO -0.27 0.13 0.00 0.61 -0.13 0.00 0.00 178.44 178.78 1tl5 n GLY 27 N -1.33 -1.89 2.66 3.75 0.00 -0.05 -4.98 105.19 103.35 1tl5 n GLY 27 Ca 0.18 0.71 -0.01 0.00 0.00 0.00 0.00 46.02 46.90 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 1.84 3.77 -0.02 0.00 -1.26 -4.90 105.19 104.62 1tl5 n GLY 28 Ca 0.00 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.75 3.44 -0.45 1.61 0.11 -1.26 -5.01 120.40 117.10 1tl5 s VAL 29 Ca 0.18 1.27 -0.26 0.00 -2.93 0.00 0.00 61.98 60.24 1tl5 s VAL 29 Cb 0.37 -3.73 0.03 0.00 -1.53 0.00 0.00 36.38 31.51 1tl5 s VAL 29 CO -0.08 0.16 0.93 -0.75 -3.33 0.00 0.00 175.10 172.03 1tl5 s LYS 30 N -2.04 3.58 0.12 1.54 2.47 -1.26 -4.80 119.74 119.35 1tl5 s LYS 30 Ca 0.53 0.22 0.06 0.00 -1.56 0.00 0.00 55.97 55.22 1tl5 s LYS 30 Cb -0.29 -3.91 -0.04 0.00 -1.46 0.00 0.00 37.83 32.13 1tl5 s LYS 30 CO 0.36 -1.19 -0.03 1.52 0.16 0.00 0.00 175.35 176.17 1tl5 s TYR 31 N 3.73 2.87 0.08 4.03 -0.85 -1.26 -0.96 117.35 124.99 1tl5 s TYR 31 Ca 0.37 -0.10 0.07 0.00 -0.52 0.00 0.00 57.07 56.89 1tl5 s TYR 31 Cb -0.10 -1.46 -0.03 0.00 0.38 0.00 0.00 41.96 40.74 1tl5 s TYR 31 CO 0.25 0.47 -0.18 -0.51 -1.52 0.00 0.00 175.55 174.07 1tl5 s ASP 32 N -2.43 2.11 -0.12 -0.18 1.11 0.73 -4.99 116.67 112.90 1tl5 s ASP 32 Ca 0.25 -0.61 -0.01 0.00 0.18 0.00 0.00 52.55 52.35 1tl5 s ASP 32 Cb -0.11 -0.11 0.04 0.00 1.07 0.00 0.00 42.92 43.81 1tl5 s ASP 32 CO 0.17 0.02 -0.02 -0.63 1.18 0.00 0.00 175.17 175.88 1tl5 s ILE 33 N -1.12 0.73 -0.31 0.77 1.09 -1.26 -2.36 121.20 118.73 1tl5 s ILE 33 Ca 0.03 -0.26 -0.11 0.00 -1.10 0.00 0.00 60.65 59.21 1tl5 s ILE 33 Cb -0.10 -0.91 -0.02 0.00 -1.06 0.00 0.00 42.46 40.37 1tl5 s ILE 33 CO 0.03 0.18 0.18 -0.62 -0.10 0.00 0.00 174.94 174.61 1tl5 s ASP 34 N 1.81 5.81 -0.07 3.58 -1.08 0.60 -5.00 116.67 122.33 1tl5 s ASP 34 Ca 0.03 -0.31 -0.09 0.00 -0.52 0.00 0.00 52.55 51.66 1tl5 s ASP 34 Cb -0.14 -2.07 -0.06 0.00 -1.46 0.00 0.00 42.92 39.19 1tl5 s ASP 34 CO -0.07 -0.15 0.35 -0.07 0.52 0.00 0.00 175.17 175.75 1tl5 h LEU 35 N 8.39 -0.20 -0.82 -1.34 -0.00 -1.96 -0.56 115.31 118.82 1tl5 h LEU 35 Ca -0.33 -0.06 0.01 0.00 -0.00 0.00 0.00 57.88 57.50 1tl5 h LEU 35 Cb 1.17 0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.84 1tl5 h LEU 35 CO 0.60 0.29 0.53 1.55 -0.00 0.00 0.00 178.44 181.41 1tl5 h PRO 36 N -1.05 1.08 0.00 1.13 0.13 -1.95 -1.34 132.00 130.00 1tl5 h PRO 36 Ca -0.02 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1tl5 h PRO 36 Cb 0.25 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1tl5 h PRO 36 CO 0.04 0.73 0.00 0.09 -0.23 0.00 0.00 178.00 178.63 1tl5 n ASN 37 N -4.50 0.00 -3.56 1.44 3.02 -1.26 -4.93 115.26 105.47 1tl5 n ASN 37 Ca 0.08 0.05 -0.21 0.00 -0.03 0.00 0.00 54.58 54.47 1tl5 n ASN 37 Cb 0.02 -0.35 0.05 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.35 -4.12 -4.25 3.52 5.02 -0.51 -4.90 118.16 111.57 1tl5 n LYS 38 Ca 0.12 0.68 -0.14 0.00 -2.02 0.00 0.00 58.31 56.95 1tl5 n LYS 38 Cb 0.26 -5.27 -0.10 0.00 -0.02 0.00 0.00 35.03 29.91 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 -5.56 1.07 0.03 1.97 1.02 -0.26 -0.82 119.74 117.20 1tl5 s LYS 39 Ca 0.16 -1.46 0.06 0.00 0.02 0.00 0.00 55.97 54.75 1tl5 s LYS 39 Cb -0.04 -0.59 -0.02 0.00 -0.52 0.00 0.00 37.83 36.66 1tl5 s LYS 39 CO 0.79 0.05 -0.17 0.08 -0.92 0.00 0.00 175.35 175.18 1tl5 s VAL 40 N -3.36 1.35 0.06 3.17 1.01 0.13 -0.29 120.40 122.47 1tl5 s VAL 40 Ca 0.17 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1tl5 s VAL 40 Cb 0.03 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1tl5 s VAL 40 CO 0.01 0.16 -0.17 0.00 0.00 0.00 0.00 175.10 175.11 1tl5 s ILE 42 N -1.00 0.57 -0.41 0.00 1.01 0.16 -0.19 121.20 121.34 1tl5 s ILE 42 Ca 0.03 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1tl5 s ILE 42 Cb -0.09 -0.52 0.17 0.00 0.01 0.00 0.00 42.46 42.03 1tl5 s ILE 42 CO 0.02 0.19 0.42 -0.70 0.00 0.00 0.00 174.94 174.87 1tl5 s GLU 43 N 0.24 0.82 0.16 2.79 2.12 -0.14 -0.37 118.70 124.31 1tl5 s GLU 43 Ca -0.03 -1.42 -0.24 0.00 0.36 0.00 0.00 54.97 53.64 1tl5 s GLU 43 Cb -0.07 -0.91 0.06 0.00 0.26 0.00 0.00 34.13 33.47 1tl5 s GLU 43 CO -0.00 -1.30 0.69 0.45 -0.54 0.00 0.00 175.26 174.56 1tl5 s SER 44 N 0.76 -0.46 0.49 -1.70 0.15 -0.91 -4.08 113.70 107.95 1tl5 s SER 44 Ca 0.26 -0.14 0.26 0.00 0.70 0.00 0.00 55.95 57.02 1tl5 s SER 44 Cb -0.06 0.59 1.32 0.00 -1.71 0.00 0.00 66.02 66.16 1tl5 s SER 44 CO -0.09 -0.99 1.87 -0.33 1.20 0.00 0.00 173.24 174.90 1tl5 h GLU 45 N 2.00 0.16 -6.94 5.44 5.08 -1.82 0.68 114.58 119.19 1tl5 h GLU 45 Ca -0.29 -0.01 -0.55 0.00 -1.00 0.00 0.00 59.36 57.52 1tl5 h GLU 45 Cb 1.28 -0.04 0.19 0.00 0.50 0.00 0.00 28.75 30.68 1tl5 h GLU 45 CO 0.33 0.11 -0.04 0.72 -1.00 0.00 0.00 179.01 179.13 1tl5 n HIS 46 N -4.38 0.21 -2.27 4.33 8.25 -1.26 -2.87 115.22 117.23 1tl5 n HIS 46 Ca 0.19 0.36 -0.41 0.00 -0.26 0.00 0.00 57.72 57.61 1tl5 n HIS 46 Cb 0.86 -2.01 -0.03 0.00 1.12 0.00 0.00 29.99 29.93 1tl5 n HIS 46 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1tl5 s SER 47 N -1.82 6.98 0.23 0.41 0.15 -1.26 0.58 113.70 118.98 1tl5 s SER 47 Ca 0.69 2.49 -0.08 0.00 0.70 0.00 0.00 55.95 59.75 1tl5 s SER 47 Cb -0.31 -2.64 0.38 0.00 -1.71 0.00 0.00 66.02 61.75 1tl5 s SER 47 CO 0.55 -0.38 1.66 0.24 1.20 0.00 0.00 173.24 176.50 1tl5 h MET 48 N 3.82 0.13 0.28 5.44 2.86 -1.95 -1.16 114.93 124.35 1tl5 h MET 48 Ca -0.48 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.14 1tl5 h MET 48 Cb 1.22 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1tl5 h MET 48 CO 0.68 0.09 -0.13 -0.44 1.06 0.00 0.00 176.91 178.16 1tl5 h ASP 49 N 0.14 -0.32 -0.17 1.22 5.19 -1.98 0.15 116.42 120.65 1tl5 h ASP 49 Ca 0.38 -0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.69 1tl5 h ASP 49 Cb 0.64 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.17 1tl5 h ASP 49 CO -0.58 -0.03 -0.20 0.74 -3.12 0.00 0.00 179.24 176.05 1tl5 h THR 50 N -0.62 0.48 0.39 0.35 2.02 -1.93 -0.37 112.91 113.24 1tl5 h THR 50 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1tl5 h THR 50 Cb 0.44 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1tl5 h THR 50 CO 0.06 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.69 1tl5 h LEU 51 N -0.24 -0.45 -0.47 2.58 3.38 -1.00 -0.24 115.31 118.88 1tl5 h LEU 51 Ca 0.11 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1tl5 h LEU 51 Cb 0.40 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1tl5 h LEU 51 CO -0.31 -0.30 -0.45 -0.07 0.09 0.00 0.00 178.44 177.41 1tl5 h LEU 52 N -0.55 -1.54 -0.10 1.67 3.38 -0.48 0.14 115.31 117.83 1tl5 h LEU 52 Ca -0.05 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1tl5 h LEU 52 Cb 0.42 0.65 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1tl5 h LEU 52 CO 0.09 -0.27 -0.06 0.00 0.09 0.00 0.00 178.44 178.29 1tl5 h ALA 53 N -0.16 0.03 -0.03 1.53 0.00 -0.98 0.53 119.26 120.18 1tl5 h ALA 53 Ca 0.08 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1tl5 h ALA 53 Cb 0.42 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1tl5 h ALA 53 CO -0.56 -0.52 -0.31 1.15 0.00 0.00 0.00 179.25 179.02 1tl5 h THR 54 N -0.06 0.32 -0.22 0.00 2.02 -0.37 -0.28 112.91 114.33 1tl5 h THR 54 Ca 0.06 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.14 1tl5 h THR 54 Cb 0.14 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1tl5 h THR 54 CO -0.13 0.00 -0.25 0.17 0.37 0.00 0.00 175.52 175.68 1tl5 h LEU 55 N -0.45 0.59 -1.20 2.58 8.10 -0.60 -3.02 115.31 121.32 1tl5 h LEU 55 Ca 0.07 -0.49 0.13 0.00 0.11 0.00 0.00 57.88 57.70 1tl5 h LEU 55 Cb 0.55 -0.17 -0.07 0.00 -0.44 0.00 0.00 40.66 40.52 1tl5 h LEU 55 CO -0.28 0.96 0.59 0.11 -4.11 0.00 0.00 178.44 175.71 1tl5 h LYS 56 N 0.23 0.77 0.00 0.17 1.57 -0.74 -0.77 116.57 117.81 1tl5 h LYS 56 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1tl5 h LYS 56 Cb 0.81 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1tl5 h LYS 56 CO 0.06 0.51 0.09 1.63 -0.57 0.00 0.00 179.45 181.17 1tl5 n LYS 57 N -4.58 0.04 0.27 3.15 5.02 -0.13 -0.20 118.16 121.74 1tl5 n LYS 57 Ca 0.18 0.49 0.11 0.00 -2.02 0.00 0.00 58.31 57.07 1tl5 n LYS 57 Cb 0.42 -1.72 0.74 0.00 -0.02 0.00 0.00 35.03 34.45 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 0.73 0.00 -0.18 1.35 -1.27 -3.47 112.91 110.08 1tl5 h THR 58 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1tl5 h THR 58 Cb 0.17 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1tl5 h THR 58 CO 0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1tl5 n GLY 59 N -1.12 0.90 3.78 5.82 0.00 0.72 -5.09 105.19 110.21 1tl5 n GLY 59 Ca -0.03 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.28 2.83 -0.99 1.61 3.01 -1.25 -5.02 119.74 118.64 1tl5 s LYS 60 Ca 0.00 -0.94 -0.15 0.00 -1.01 0.00 0.00 55.97 53.87 1tl5 s LYS 60 Cb 0.00 -2.58 -0.09 0.00 -1.01 0.00 0.00 37.83 34.15 1tl5 s LYS 60 CO 0.00 0.46 2.11 2.41 0.51 0.00 0.00 175.35 180.84 1tl5 n THR 61 N -0.46 2.45 -4.72 2.17 -1.04 -1.26 -4.87 114.28 106.55 1tl5 n THR 61 Ca -0.08 -1.85 -0.29 0.00 -2.04 0.00 0.00 64.05 59.78 1tl5 n THR 61 Cb 0.55 -2.33 -0.14 0.00 -1.82 0.00 0.00 70.33 66.59 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 4.03 2.14 0.21 12.58 0.11 -1.26 -0.04 120.40 138.17 1tl5 s VAL 62 Ca 0.51 -1.50 -0.20 0.00 -2.93 0.00 0.00 61.98 57.87 1tl5 s VAL 62 Cb 0.13 -1.86 0.04 0.00 -1.53 0.00 0.00 36.38 33.16 1tl5 s VAL 62 CO 0.03 0.26 0.59 -0.44 -3.33 0.00 0.00 175.10 172.20 1tl5 s SER 63 N -1.51 -0.34 0.08 3.54 0.01 -0.47 -4.89 113.70 110.13 1tl5 s SER 63 Ca 0.12 -0.39 -0.24 0.00 1.31 0.00 0.00 55.95 56.75 1tl5 s SER 63 Cb -0.10 0.62 -0.06 0.00 0.21 0.00 0.00 66.02 66.68 1tl5 s SER 63 CO 0.03 -1.10 0.73 -0.47 0.41 0.00 0.00 173.24 172.84 1tl5 s TYR 64 N -3.85 3.80 -0.44 2.43 6.14 -1.26 -0.94 117.35 123.23 1tl5 s TYR 64 Ca 0.08 1.48 0.05 0.00 0.64 0.00 0.00 57.07 59.32 1tl5 s TYR 64 Cb -0.02 -2.75 0.17 0.00 0.42 0.00 0.00 41.96 39.79 1tl5 s TYR 64 CO -0.03 0.40 0.53 -0.48 0.64 0.00 0.00 175.55 176.61 1tl5 s LEU 65 N -0.55 -0.45 0.00 6.97 -0.00 0.72 -4.87 118.68 120.50 1tl5 s LEU 65 Ca 0.36 -1.84 0.00 0.00 -0.00 0.00 0.00 54.13 52.65 1tl5 s LEU 65 Cb -0.21 1.02 0.00 0.00 -0.00 0.00 0.00 46.19 47.00 1tl5 s LEU 65 CO 0.23 -0.15 0.00 0.61 -0.00 0.00 0.00 176.35 177.04 1tl5 n GLY 66 N 3.51 4.45 2.89 -3.48 0.00 -1.23 -4.53 105.19 106.80 1tl5 n GLY 66 Ca 0.18 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 1tl5 n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tl5 s LEU 67 N 0.00 1.73 0.00 0.99 2.96 -1.26 -0.58 118.68 122.52 1tl5 s LEU 67 Ca 0.00 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1tl5 s LEU 67 Cb 0.00 -0.18 0.00 0.00 0.50 0.00 0.00 46.19 46.51 1tl5 s LEU 67 CO 0.00 -0.01 0.00 1.21 -1.32 0.00 0.00 176.35 176.23