#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl5 h PRO 2 N 0.00 -0.72 -6.06 0.03 0.13 -1.73 -3.35 132.00 120.30 1tl5 h PRO 2 Ca 0.00 0.05 -0.68 0.00 -0.87 0.00 0.00 66.00 64.50 1tl5 h PRO 2 Cb 0.00 0.16 -0.19 0.00 0.13 0.00 0.00 31.00 31.11 1tl5 h PRO 2 CO 0.00 -0.42 -0.68 0.21 -0.23 0.00 0.00 178.00 176.88 1tl5 s LYS 3 N -5.28 2.84 -0.01 0.86 2.20 0.91 -0.81 119.74 120.44 1tl5 s LYS 3 Ca -0.16 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 1tl5 s LYS 3 Cb 0.03 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 1tl5 s LYS 3 CO 0.55 0.64 -0.06 -1.01 -0.36 0.00 0.00 175.35 175.11 1tl5 s HIS 4 N -0.73 0.58 0.05 4.03 3.76 0.45 -0.49 115.29 122.93 1tl5 s HIS 4 Ca 0.11 -0.12 0.09 0.00 -0.15 0.00 0.00 55.06 54.99 1tl5 s HIS 4 Cb -0.11 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.14 1tl5 s HIS 4 CO 0.02 -0.04 -0.25 -1.21 -0.85 0.00 0.00 174.74 172.41 1tl5 s GLU 5 N 0.05 1.85 -0.06 1.40 2.02 0.47 -0.47 118.70 123.94 1tl5 s GLU 5 Ca -0.00 -1.09 -0.05 0.00 0.02 0.00 0.00 54.97 53.85 1tl5 s GLU 5 Cb -0.05 -2.02 0.02 0.00 0.10 0.00 0.00 34.13 32.19 1tl5 s GLU 5 CO -0.00 0.52 0.16 -0.06 0.02 0.00 0.00 175.26 175.90 1tl5 s PHE 6 N -0.83 -0.18 0.25 1.61 0.40 0.19 -0.26 117.98 119.16 1tl5 s PHE 6 Ca 0.12 0.47 -0.22 0.00 -0.60 0.00 0.00 56.93 56.70 1tl5 s PHE 6 Cb -0.10 0.02 -0.09 0.00 0.51 0.00 0.00 43.02 43.36 1tl5 s PHE 6 CO 0.03 -0.12 0.79 0.45 0.70 0.00 0.00 175.22 177.07 1tl5 s SER 7 N 0.49 7.16 -0.15 1.36 0.15 0.20 -0.45 113.70 122.46 1tl5 s SER 7 Ca -0.03 1.56 -0.04 0.00 0.70 0.00 0.00 55.95 58.13 1tl5 s SER 7 Cb -0.05 -2.47 0.06 0.00 -1.71 0.00 0.00 66.02 61.85 1tl5 s SER 7 CO -0.02 0.01 0.12 -0.69 1.20 0.00 0.00 173.24 173.86 1tl5 s VAL 8 N -1.54 -0.16 -0.90 4.45 1.01 -0.02 -0.91 120.40 122.33 1tl5 s VAL 8 Ca 0.45 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.16 1tl5 s VAL 8 Cb -0.18 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1tl5 s VAL 8 CO 0.22 -0.17 1.93 -0.62 0.00 0.00 0.00 175.10 176.47 1tl5 s ASP 9 N 2.20 5.18 -0.92 3.32 -1.08 0.00 -4.21 116.67 121.17 1tl5 s ASP 9 Ca 0.04 -0.68 -0.24 0.00 -0.52 0.00 0.00 52.55 51.14 1tl5 s ASP 9 Cb -0.15 -2.56 0.01 0.00 -1.46 0.00 0.00 42.92 38.76 1tl5 s ASP 9 CO -0.09 -2.71 1.66 -0.04 0.52 0.00 0.00 175.17 174.51 1tl5 s MET 10 N 6.95 3.08 0.22 4.34 -1.94 -1.26 -4.74 119.30 125.95 1tl5 s MET 10 Ca 0.69 -0.59 0.11 0.00 -1.71 0.00 0.00 55.69 54.20 1tl5 s MET 10 Cb -0.07 -5.06 0.04 0.00 2.01 0.00 0.00 34.83 31.75 1tl5 s MET 10 CO -0.01 -2.69 1.42 1.15 -0.01 0.00 0.00 175.02 174.88 1tl5 h THR 11 N 6.91 1.31 -3.95 2.05 2.02 -1.99 -3.44 112.91 115.82 1tl5 h THR 11 Ca 0.08 -2.68 -0.43 0.00 0.77 0.00 0.00 66.41 64.14 1tl5 h THR 11 Cb 1.02 2.54 -0.22 0.00 -1.74 0.00 0.00 68.15 69.75 1tl5 h THR 11 CO 1.32 0.71 -0.79 0.00 0.37 0.00 0.00 175.52 177.13 1tl5 h GLY 13 N 4.28 1.64 1.98 0.00 0.00 -2.01 0.84 103.07 109.80 1tl5 h GLY 13 Ca -0.41 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1tl5 h GLY 13 CO 0.40 -0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.25 1tl5 n GLY 14 N -1.33 -0.73 0.35 4.60 0.00 -1.26 -0.52 105.19 106.30 1tl5 n GLY 14 Ca 0.24 -0.02 0.08 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 1.62 0.29 -0.57 0.00 0.00 -0.98 -0.60 119.26 119.01 1tl5 h ALA 16 Ca 0.32 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.32 1tl5 h ALA 16 Cb 0.33 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1tl5 h ALA 16 CO -0.11 -0.26 0.16 0.93 0.00 0.00 0.00 179.25 179.97 1tl5 h GLU 17 N 0.28 0.30 -0.16 0.00 4.39 -1.50 0.14 114.58 118.04 1tl5 h GLU 17 Ca 0.09 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.81 1tl5 h GLU 17 Cb -0.01 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 1tl5 h GLU 17 CO -0.04 0.20 -0.14 0.00 -1.16 0.00 0.00 179.01 177.87 1tl5 h ALA 18 N 1.43 -0.03 0.51 3.43 0.00 0.06 0.15 119.26 124.81 1tl5 h ALA 18 Ca 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1tl5 h ALA 18 Cb 0.40 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1tl5 h ALA 18 CO -0.34 -0.58 -0.28 0.28 0.00 0.00 0.00 179.25 178.32 1tl5 h VAL 19 N -0.16 0.42 -0.55 0.00 2.07 -0.84 -1.12 116.25 116.07 1tl5 h VAL 19 Ca 0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.71 1tl5 h VAL 19 Cb 0.30 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 1tl5 h VAL 19 CO -0.25 0.00 0.14 -1.28 0.02 0.00 0.00 177.57 176.20 1tl5 h SER 20 N -0.74 0.05 0.07 0.57 0.87 -0.26 0.13 113.55 114.24 1tl5 h SER 20 Ca -0.06 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1tl5 h SER 20 Cb 0.59 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1tl5 h SER 20 CO 0.08 0.05 -0.03 0.03 -0.53 0.00 0.00 176.83 176.43 1tl5 h ARG 21 N 0.28 -0.09 -0.68 2.24 3.08 -0.68 0.18 114.38 118.72 1tl5 h ARG 21 Ca 0.28 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 1tl5 h ARG 21 Cb 0.38 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1tl5 h ARG 21 CO -0.34 0.20 0.32 -0.24 -1.07 0.00 0.00 179.97 178.83 1tl5 h VAL 22 N -0.38 1.23 -0.16 2.04 3.04 -0.73 0.12 116.25 121.41 1tl5 h VAL 22 Ca -0.01 -0.65 -0.02 0.00 -1.01 0.00 0.00 66.70 65.01 1tl5 h VAL 22 Cb 0.33 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.02 1tl5 h VAL 22 CO 0.02 0.27 0.04 -0.07 -1.01 0.00 0.00 177.57 176.81 1tl5 h LEU 23 N 0.94 0.25 -0.63 3.16 -0.00 -0.77 -2.71 115.31 115.56 1tl5 h LEU 23 Ca 0.23 -0.24 0.12 0.00 -0.00 0.00 0.00 57.88 58.00 1tl5 h LEU 23 Cb 0.13 -0.07 -0.09 0.00 -0.00 0.00 0.00 40.66 40.63 1tl5 h LEU 23 CO -0.03 0.42 0.14 -1.13 -0.00 0.00 0.00 178.44 177.85 1tl5 h ASN 24 N 0.07 0.01 -0.88 -0.43 -1.24 -0.32 0.36 115.58 113.15 1tl5 h ASN 24 Ca 0.05 0.12 0.20 0.00 0.71 0.00 0.00 56.30 57.38 1tl5 h ASN 24 Cb 0.27 0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.42 1tl5 h ASN 24 CO 0.00 0.00 0.59 0.11 -1.29 0.00 0.00 177.43 176.84 1tl5 h LYS 25 N 0.27 0.38 -0.70 6.67 1.79 -0.54 0.31 116.57 124.74 1tl5 h LYS 25 Ca 0.34 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.84 1tl5 h LYS 25 Cb 0.51 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.02 1tl5 h LYS 25 CO -0.42 0.25 0.40 1.25 -1.08 0.00 0.00 179.45 179.85 1tl5 h LEU 26 N 0.40 0.60 0.00 2.94 7.12 -0.61 -3.48 115.31 122.28 1tl5 h LEU 26 Ca 0.46 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.49 1tl5 h LEU 26 Cb 1.15 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 1tl5 h LEU 26 CO -0.17 0.39 0.00 0.61 -0.13 0.00 0.00 178.44 179.14 1tl5 n GLY 27 N -1.29 -1.37 1.19 3.75 0.00 0.10 -4.94 105.19 102.63 1tl5 n GLY 27 Ca 0.09 0.50 0.03 0.00 0.00 0.00 0.00 46.02 46.63 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 0.85 3.75 -0.02 0.00 -1.26 -4.83 105.19 103.68 1tl5 n GLY 28 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1tl5 n GLY 28 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1tl5 n VAL 29 N 0.34 1.72 -3.23 1.61 3.14 -1.26 -4.99 118.33 115.67 1tl5 n VAL 29 Ca 0.04 -0.43 -0.41 0.00 -2.96 0.00 0.00 64.34 60.58 1tl5 n VAL 29 Cb 1.01 -1.91 -0.08 0.00 -1.06 0.00 0.00 33.84 31.81 1tl5 n VAL 29 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1tl5 s LYS 30 N -1.63 3.88 0.21 1.45 2.36 -1.17 -4.84 119.74 120.00 1tl5 s LYS 30 Ca 0.57 0.13 0.10 0.00 -2.55 0.00 0.00 55.97 54.22 1tl5 s LYS 30 Cb -0.50 -3.72 -0.04 0.00 -1.05 0.00 0.00 37.83 32.52 1tl5 s LYS 30 CO 0.59 -0.48 -0.15 1.52 1.55 0.00 0.00 175.35 178.38 1tl5 s TYR 31 N 2.38 2.47 -0.06 4.03 -0.85 -1.26 -0.48 117.35 123.58 1tl5 s TYR 31 Ca 0.21 -0.28 -0.02 0.00 -0.52 0.00 0.00 57.07 56.45 1tl5 s TYR 31 Cb -0.15 -1.18 0.04 0.00 0.38 0.00 0.00 41.96 41.04 1tl5 s TYR 31 CO 0.11 0.55 0.12 -0.51 -1.52 0.00 0.00 175.55 174.30 1tl5 s ASP 32 N -2.96 0.28 -0.21 -0.18 1.01 0.41 -4.98 116.67 110.04 1tl5 s ASP 32 Ca 0.25 0.24 -0.05 0.00 0.71 0.00 0.00 52.55 53.70 1tl5 s ASP 32 Cb -0.08 0.13 -0.02 0.00 1.01 0.00 0.00 42.92 43.97 1tl5 s ASP 32 CO 0.14 -0.18 -0.00 -0.63 0.21 0.00 0.00 175.17 174.70 1tl5 s ILE 33 N 1.57 3.85 -0.45 0.77 1.09 -1.26 -0.65 121.20 126.11 1tl5 s ILE 33 Ca -0.04 -0.34 -0.15 0.00 -1.10 0.00 0.00 60.65 59.01 1tl5 s ILE 33 Cb -0.12 -2.75 0.05 0.00 -1.06 0.00 0.00 42.46 38.59 1tl5 s ILE 33 CO -0.05 0.42 0.36 -0.62 -0.10 0.00 0.00 174.94 174.94 1tl5 s ASP 34 N 1.19 6.11 -0.05 3.58 -1.08 0.32 -4.99 116.67 121.76 1tl5 s ASP 34 Ca 0.03 -1.18 -0.24 0.00 -0.52 0.00 0.00 52.55 50.64 1tl5 s ASP 34 Cb -0.15 -2.17 -0.18 0.00 -1.46 0.00 0.00 42.92 38.96 1tl5 s ASP 34 CO 0.01 -0.57 1.00 -0.07 0.52 0.00 0.00 175.17 176.06 1tl5 h LEU 35 N 8.69 -0.11 -0.62 -1.34 -0.00 -1.98 0.52 115.31 120.47 1tl5 h LEU 35 Ca -0.28 -0.47 -0.02 0.00 -0.00 0.00 0.00 57.88 57.12 1tl5 h LEU 35 Cb 1.11 0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.77 1tl5 h LEU 35 CO 0.82 0.47 0.32 1.55 -0.00 0.00 0.00 178.44 181.61 1tl5 h PRO 36 N -0.75 0.88 0.00 1.13 0.13 -1.96 -3.04 132.00 128.38 1tl5 h PRO 36 Ca -0.01 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1tl5 h PRO 36 Cb 0.57 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 1tl5 h PRO 36 CO 0.02 0.68 -0.07 -0.91 -0.23 0.00 0.00 178.00 177.50 1tl5 h ASN 37 N 0.85 0.00 -4.63 1.44 2.35 -1.98 -3.47 115.58 110.13 1tl5 h ASN 37 Ca 0.22 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.74 1tl5 h ASN 37 Cb 0.07 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.57 1tl5 h ASN 37 CO -0.03 0.07 -0.56 0.29 -1.65 0.00 0.00 177.43 175.54 1tl5 n LYS 38 N -3.13 -4.36 -4.22 0.81 5.02 0.15 -4.93 118.16 107.50 1tl5 n LYS 38 Ca 0.03 0.61 -0.13 0.00 -2.02 0.00 0.00 58.31 56.80 1tl5 n LYS 38 Cb 0.50 -4.88 -0.10 0.00 -0.02 0.00 0.00 35.03 30.53 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 -4.85 1.02 0.00 1.97 1.02 -1.05 -0.84 119.74 117.01 1tl5 s LYS 39 Ca 0.04 -1.46 0.06 0.00 0.02 0.00 0.00 55.97 54.63 1tl5 s LYS 39 Cb -0.01 -0.32 -0.02 0.00 -0.52 0.00 0.00 37.83 36.97 1tl5 s LYS 39 CO 0.52 -0.06 -0.18 0.08 -0.92 0.00 0.00 175.35 174.79 1tl5 s VAL 40 N -3.58 1.45 0.05 3.17 1.01 0.41 -0.52 120.40 122.39 1tl5 s VAL 40 Ca 0.19 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1tl5 s VAL 40 Cb 0.05 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1tl5 s VAL 40 CO 0.01 0.32 -0.24 0.00 0.00 0.00 0.00 175.10 175.19 1tl5 s ILE 42 N -0.83 0.06 -0.35 0.00 1.01 0.38 -0.44 121.20 121.02 1tl5 s ILE 42 Ca 0.10 0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 1tl5 s ILE 42 Cb -0.09 -0.16 0.06 0.00 0.01 0.00 0.00 42.46 42.27 1tl5 s ILE 42 CO 0.02 0.10 0.12 -0.70 0.00 0.00 0.00 174.94 174.48 1tl5 s GLU 43 N 0.87 2.48 -0.28 2.79 -6.30 0.37 -0.41 118.70 118.22 1tl5 s GLU 43 Ca -0.08 -1.34 -0.10 0.00 -2.50 0.00 0.00 54.97 50.94 1tl5 s GLU 43 Cb -0.11 -3.46 0.12 0.00 0.00 0.00 0.00 34.13 30.67 1tl5 s GLU 43 CO -0.02 -0.76 0.62 0.45 0.02 0.00 0.00 175.26 175.56 1tl5 s SER 44 N 1.55 -0.98 -0.94 -1.70 0.15 0.01 -3.04 113.70 108.74 1tl5 s SER 44 Ca -0.00 1.47 -0.21 0.00 0.70 0.00 0.00 55.95 57.91 1tl5 s SER 44 Cb -0.21 2.04 -0.11 0.00 -1.71 0.00 0.00 66.02 66.03 1tl5 s SER 44 CO 0.01 -0.22 1.96 1.21 1.20 0.00 0.00 173.24 177.39 1tl5 n GLU 45 N 5.29 1.76 -4.37 5.44 2.13 -1.24 -4.68 120.64 124.96 1tl5 n GLU 45 Ca -0.13 -2.09 -0.21 0.00 0.66 0.00 0.00 57.16 55.39 1tl5 n GLU 45 Cb 0.50 -3.11 -0.09 0.00 0.27 0.00 0.00 31.44 29.02 1tl5 n GLU 45 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1tl5 s HIS 46 N 5.61 1.70 0.31 4.31 -3.43 -1.26 -4.99 115.29 117.54 1tl5 s HIS 46 Ca 0.58 -1.43 -0.29 0.00 -0.80 0.00 0.00 55.06 53.11 1tl5 s HIS 46 Cb 0.12 -0.91 -0.12 0.00 -1.43 0.00 0.00 32.58 30.24 1tl5 s HIS 46 CO 0.09 -0.56 1.38 0.45 -2.00 0.00 0.00 174.74 174.11 1tl5 n SER 47 N -1.22 3.01 0.13 7.38 2.88 -1.26 -4.90 113.62 119.63 1tl5 n SER 47 Ca 0.01 1.18 -0.13 0.00 -1.33 0.00 0.00 58.87 58.60 1tl5 n SER 47 Cb 0.64 -1.50 -0.07 0.00 -0.75 0.00 0.00 64.21 62.54 1tl5 n SER 47 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1tl5 h MET 48 N 3.37 -0.31 0.00 -1.46 2.86 -1.95 -2.71 114.93 114.73 1tl5 h MET 48 Ca -0.46 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1tl5 h MET 48 Cb 1.27 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1tl5 h MET 48 CO 0.69 -0.20 0.00 -3.47 1.06 0.00 0.00 176.91 174.98 1tl5 n ASP 49 N -5.25 0.26 -0.15 1.22 2.03 -1.26 -0.51 116.55 112.89 1tl5 n ASP 49 Ca -0.08 0.56 -0.08 0.00 0.52 0.00 0.00 54.79 55.71 1tl5 n ASP 49 Cb 0.17 -0.62 0.01 0.00 -0.72 0.00 0.00 41.12 39.96 1tl5 n ASP 49 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1tl5 h THR 50 N 0.00 1.15 0.67 5.18 2.02 -1.85 0.42 112.91 120.50 1tl5 h THR 50 Ca 0.00 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1tl5 h THR 50 Cb 0.32 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1tl5 h THR 50 CO 0.00 0.16 -0.32 -0.07 0.37 0.00 0.00 175.52 175.65 1tl5 h LEU 51 N 0.60 -0.77 0.50 2.58 3.38 -0.85 -1.64 115.31 119.10 1tl5 h LEU 51 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1tl5 h LEU 51 Cb 0.02 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1tl5 h LEU 51 CO -0.03 -0.49 -0.49 -0.07 0.09 0.00 0.00 178.44 177.45 1tl5 h LEU 52 N -0.99 -1.34 -1.29 1.67 3.38 -1.37 0.68 115.31 116.06 1tl5 h LEU 52 Ca -0.09 0.11 0.32 0.00 0.09 0.00 0.00 57.88 58.31 1tl5 h LEU 52 Cb 0.72 0.44 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 1tl5 h LEU 52 CO 0.15 -0.65 0.70 0.00 0.09 0.00 0.00 178.44 178.72 1tl5 h ALA 53 N -0.81 2.29 0.15 1.53 0.00 -0.19 0.40 119.26 122.63 1tl5 h ALA 53 Ca -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1tl5 h ALA 53 Cb 0.86 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1tl5 h ALA 53 CO -0.06 -0.80 -0.07 1.15 0.00 0.00 0.00 179.25 179.47 1tl5 h THR 54 N 0.31 0.00 -0.23 0.00 2.02 -0.60 -3.38 112.91 111.03 1tl5 h THR 54 Ca 0.68 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.70 1tl5 h THR 54 Cb 1.81 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1tl5 h THR 54 CO -0.40 0.00 -0.26 0.17 0.37 0.00 0.00 175.52 175.40 1tl5 h LEU 55 N -0.27 0.43 -0.69 2.58 8.10 0.53 -2.21 115.31 123.79 1tl5 h LEU 55 Ca -0.02 -0.15 0.17 0.00 0.11 0.00 0.00 57.88 57.99 1tl5 h LEU 55 Cb 0.16 -0.12 -0.13 0.00 -0.44 0.00 0.00 40.66 40.13 1tl5 h LEU 55 CO 0.03 0.70 -0.05 0.29 -4.11 0.00 0.00 178.44 175.30 1tl5 n LYS 56 N -4.12 -0.06 0.31 0.17 5.02 0.13 -0.84 118.16 118.77 1tl5 n LYS 56 Ca -0.01 1.04 0.19 0.00 -2.02 0.00 0.00 58.31 57.52 1tl5 n LYS 56 Cb 0.41 -1.63 1.02 0.00 -0.02 0.00 0.00 35.03 34.81 1tl5 n LYS 56 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1tl5 h LYS 57 N 0.00 0.00 -0.81 1.97 1.57 -1.57 0.53 116.57 118.25 1tl5 h LYS 57 Ca 0.39 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.24 1tl5 h LYS 57 Cb 0.74 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 1tl5 h LYS 57 CO -0.67 0.00 0.53 1.79 -0.57 0.00 0.00 179.45 180.53 1tl5 h THR 58 N 0.00 1.02 -0.86 -0.16 1.35 -1.20 -3.46 112.91 109.59 1tl5 h THR 58 Ca 0.02 -0.29 -0.14 0.00 -0.55 0.00 0.00 66.41 65.44 1tl5 h THR 58 Cb 0.29 0.09 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 1tl5 h THR 58 CO -0.00 0.16 -0.17 0.61 -0.25 0.00 0.00 175.52 175.87 1tl5 n GLY 59 N -1.43 0.26 4.00 5.82 0.00 0.18 -5.05 105.19 108.96 1tl5 n GLY 59 Ca 0.13 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.98 2.85 -0.90 1.61 3.01 -1.26 -5.00 119.74 116.07 1tl5 s LYS 60 Ca 0.00 -1.11 -0.13 0.00 -1.01 0.00 0.00 55.97 53.72 1tl5 s LYS 60 Cb 0.00 -2.73 -0.09 0.00 -1.01 0.00 0.00 37.83 34.00 1tl5 s LYS 60 CO 0.00 -0.27 2.06 2.41 0.51 0.00 0.00 175.35 180.06 1tl5 n THR 61 N -1.89 2.27 -4.03 2.17 -1.04 -1.26 -4.87 114.28 105.63 1tl5 n THR 61 Ca 0.06 -1.62 -0.33 0.00 -2.04 0.00 0.00 64.05 60.11 1tl5 n THR 61 Cb 0.59 -2.25 -0.06 0.00 -1.82 0.00 0.00 70.33 66.78 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 4.05 4.99 0.08 12.58 0.11 -1.26 -0.82 120.40 140.14 1tl5 s VAL 62 Ca 0.48 -0.28 -0.16 0.00 -2.93 0.00 0.00 61.98 59.09 1tl5 s VAL 62 Cb 0.12 -3.29 0.03 0.00 -1.53 0.00 0.00 36.38 31.72 1tl5 s VAL 62 CO 0.03 0.37 0.37 -0.44 -3.33 0.00 0.00 175.10 172.10 1tl5 s SER 63 N -1.73 -0.21 -0.07 3.54 0.01 -0.09 -4.99 113.70 110.16 1tl5 s SER 63 Ca 0.23 -0.21 -0.18 0.00 1.31 0.00 0.00 55.95 57.10 1tl5 s SER 63 Cb -0.12 0.43 -0.05 0.00 0.21 0.00 0.00 66.02 66.49 1tl5 s SER 63 CO 0.14 -0.74 0.49 -0.47 0.41 0.00 0.00 173.24 173.07 1tl5 s TYR 64 N -3.14 3.59 -0.43 2.43 5.04 -1.26 -0.63 117.35 122.94 1tl5 s TYR 64 Ca -0.01 0.98 0.06 0.00 -2.44 0.00 0.00 57.07 55.66 1tl5 s TYR 64 Cb 0.01 -2.52 0.17 0.00 0.35 0.00 0.00 41.96 39.97 1tl5 s TYR 64 CO -0.07 0.29 0.55 -0.48 -1.34 0.00 0.00 175.55 174.50 1tl5 s LEU 65 N 0.14 -0.73 0.00 6.97 -0.00 0.65 -4.88 118.68 120.82 1tl5 s LEU 65 Ca 0.27 -1.56 0.00 0.00 -0.00 0.00 0.00 54.13 52.83 1tl5 s LEU 65 Cb -0.16 1.25 0.00 0.00 -0.00 0.00 0.00 46.19 47.28 1tl5 s LEU 65 CO 0.12 -0.16 0.00 0.61 -0.00 0.00 0.00 176.35 176.92 1tl5 n GLY 66 N 3.75 4.35 2.94 -3.48 0.00 -1.20 -4.41 105.19 107.14 1tl5 n GLY 66 Ca 0.15 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 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 1.59 0.00 0.99 2.96 -1.26 -0.40 118.68 122.57 1tl5 s LEU 67 Ca 0.00 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1tl5 s LEU 67 Cb 0.00 -0.44 0.00 0.00 0.50 0.00 0.00 46.19 46.25 1tl5 s LEU 67 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.35 176.24