#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 0.80 -4.10 0.03 -0.04 -1.23 -4.57 135.00 125.88 1tl5 n PRO 2 Ca 0.00 0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 63.11 1tl5 n PRO 2 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -2.10 3.29 0.00 0.54 2.36 -0.80 -0.64 119.74 122.40 1tl5 s LYS 3 Ca 0.40 -0.27 -0.21 0.00 -2.55 0.00 0.00 55.97 53.34 1tl5 s LYS 3 Cb 0.19 -3.02 0.04 0.00 -1.05 0.00 0.00 37.83 33.99 1tl5 s LYS 3 CO 0.34 0.71 0.47 -3.38 1.55 0.00 0.00 175.35 175.04 1tl5 s HIS 4 N -0.86 -0.37 0.09 4.03 -3.43 0.16 -0.67 115.29 114.25 1tl5 s HIS 4 Ca 0.13 0.52 0.08 0.00 -0.80 0.00 0.00 55.06 54.99 1tl5 s HIS 4 Cb -0.12 0.25 -0.04 0.00 -1.43 0.00 0.00 32.58 31.25 1tl5 s HIS 4 CO 0.03 -0.54 -0.18 -1.21 -2.00 0.00 0.00 174.74 170.84 1tl5 s GLU 5 N -1.77 1.88 -0.05 -0.38 0.41 0.20 -0.48 118.70 118.51 1tl5 s GLU 5 Ca -0.09 -1.11 -0.02 0.00 -0.41 0.00 0.00 54.97 53.33 1tl5 s GLU 5 Cb -0.02 -2.14 0.03 0.00 -1.78 0.00 0.00 34.13 30.22 1tl5 s GLU 5 CO 0.03 0.50 0.10 -0.06 -0.49 0.00 0.00 175.26 175.34 1tl5 s PHE 6 N -1.08 -0.10 -0.04 1.61 0.40 0.73 -0.48 117.98 119.03 1tl5 s PHE 6 Ca 0.17 0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 56.70 1tl5 s PHE 6 Cb -0.11 -0.08 -0.05 0.00 0.51 0.00 0.00 43.02 43.29 1tl5 s PHE 6 CO 0.09 -0.11 0.36 0.45 0.70 0.00 0.00 175.22 176.70 1tl5 s SER 7 N 0.81 6.71 0.05 1.36 0.15 -0.19 -0.91 113.70 121.69 1tl5 s SER 7 Ca -0.06 0.84 0.06 0.00 0.70 0.00 0.00 55.95 57.49 1tl5 s SER 7 Cb -0.08 -2.22 -0.03 0.00 -1.71 0.00 0.00 66.02 61.98 1tl5 s SER 7 CO -0.03 0.31 -0.17 -0.69 1.20 0.00 0.00 173.24 173.86 1tl5 s VAL 8 N -0.90 1.36 -0.88 4.45 1.01 0.17 -0.63 120.40 124.98 1tl5 s VAL 8 Ca 0.22 -1.17 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 1tl5 s VAL 8 Cb -0.16 -1.22 0.14 0.00 0.00 0.00 0.00 36.38 35.14 1tl5 s VAL 8 CO 0.11 0.03 1.05 -0.62 0.00 0.00 0.00 175.10 175.67 1tl5 s ASP 9 N -1.33 6.59 -0.99 3.32 2.15 -1.16 -4.72 116.67 120.54 1tl5 s ASP 9 Ca 0.04 -2.01 -0.16 0.00 0.43 0.00 0.00 52.55 50.84 1tl5 s ASP 9 Cb -0.09 -2.37 0.17 0.00 -0.30 0.00 0.00 42.92 40.33 1tl5 s ASP 9 CO 0.02 -1.04 1.13 -0.04 -0.17 0.00 0.00 175.17 175.07 1tl5 s MET 10 N 2.48 3.76 0.30 4.34 -1.94 -1.26 -4.69 119.30 122.29 1tl5 s MET 10 Ca 0.29 -2.18 0.16 0.00 -1.71 0.00 0.00 55.69 52.24 1tl5 s MET 10 Cb -0.07 -4.83 0.29 0.00 2.01 0.00 0.00 34.83 32.22 1tl5 s MET 10 CO -0.07 -1.64 1.55 1.15 -0.01 0.00 0.00 175.02 175.99 1tl5 h THR 11 N 5.21 0.93 -3.96 2.05 2.02 -1.98 -3.43 112.91 113.76 1tl5 h THR 11 Ca 0.19 -2.04 -0.24 0.00 0.77 0.00 0.00 66.41 65.08 1tl5 h THR 11 Cb 0.98 2.26 -0.20 0.00 -1.74 0.00 0.00 68.15 69.46 1tl5 h THR 11 CO 1.06 0.48 -0.72 0.00 0.37 0.00 0.00 175.52 176.72 1tl5 h GLY 13 N 4.21 1.87 1.84 0.00 0.00 -2.02 0.11 103.07 109.09 1tl5 h GLY 13 Ca -0.35 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1tl5 h GLY 13 CO 0.46 -0.21 0.07 -1.33 0.00 0.00 0.00 176.54 175.52 1tl5 h GLY 14 N 0.61 0.00 0.92 4.60 0.00 -1.97 0.13 103.07 107.36 1tl5 h GLY 14 Ca 0.63 0.00 0.09 0.00 0.00 0.00 0.00 47.33 48.05 1tl5 h GLY 14 CO -0.46 0.00 0.49 0.00 0.00 0.00 0.00 176.54 176.57 1tl5 h ALA 16 N 1.62 0.74 -0.49 0.00 0.00 -0.90 0.17 119.26 120.41 1tl5 h ALA 16 Ca 0.34 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1tl5 h ALA 16 Cb 0.44 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1tl5 h ALA 16 CO -0.12 0.10 0.24 0.93 0.00 0.00 0.00 179.25 180.40 1tl5 h GLU 17 N 0.72 0.46 -0.23 0.00 5.08 -1.30 0.14 114.58 119.43 1tl5 h GLU 17 Ca 0.23 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1tl5 h GLU 17 Cb -0.01 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 1tl5 h GLU 17 CO -0.08 0.30 -0.12 0.00 -1.00 0.00 0.00 179.01 178.10 1tl5 h ALA 18 N 1.27 0.06 0.54 3.43 0.00 0.28 0.14 119.26 124.98 1tl5 h ALA 18 Ca 0.21 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1tl5 h ALA 18 Cb 0.13 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1tl5 h ALA 18 CO -0.16 -0.54 -0.48 0.28 0.00 0.00 0.00 179.25 178.35 1tl5 h VAL 19 N -0.10 0.05 -0.59 0.00 2.07 -0.85 -2.15 116.25 114.67 1tl5 h VAL 19 Ca 0.13 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.76 1tl5 h VAL 19 Cb 0.29 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 29.99 1tl5 h VAL 19 CO -0.30 0.00 -0.23 -1.28 0.02 0.00 0.00 177.57 175.78 1tl5 h SER 20 N -1.01 -0.82 0.51 0.57 0.87 -0.04 0.11 113.55 113.74 1tl5 h SER 20 Ca -0.07 0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1tl5 h SER 20 Cb 0.87 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1tl5 h SER 20 CO -0.03 -0.25 -0.26 0.03 -0.53 0.00 0.00 176.83 175.78 1tl5 h ARG 21 N -0.08 -0.68 -0.60 2.24 3.08 -0.68 0.42 114.38 118.06 1tl5 h ARG 21 Ca 0.27 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 1tl5 h ARG 21 Cb 0.50 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1tl5 h ARG 21 CO -0.65 -0.46 0.30 -0.24 -1.07 0.00 0.00 179.97 177.86 1tl5 h VAL 22 N -0.71 1.21 -0.21 2.04 3.04 -0.75 0.51 116.25 121.37 1tl5 h VAL 22 Ca -0.07 -0.57 0.03 0.00 -1.01 0.00 0.00 66.70 65.08 1tl5 h VAL 22 Cb 0.56 0.48 -0.03 0.00 -2.01 0.00 0.00 31.29 30.29 1tl5 h VAL 22 CO 0.10 0.24 0.03 -0.07 -1.01 0.00 0.00 177.57 176.85 1tl5 h LEU 23 N 0.82 -0.01 -0.05 3.16 -0.00 -0.70 -0.13 115.31 118.39 1tl5 h LEU 23 Ca 0.21 0.04 0.03 0.00 -0.00 0.00 0.00 57.88 58.15 1tl5 h LEU 23 Cb 0.10 0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.78 1tl5 h LEU 23 CO -0.03 0.02 -0.11 0.78 -0.00 0.00 0.00 178.44 179.10 1tl5 h ASN 24 N 0.11 -0.34 -0.96 -0.43 2.35 -0.61 -2.64 115.58 113.06 1tl5 h ASN 24 Ca 0.10 0.06 0.20 0.00 -0.55 0.00 0.00 56.30 56.10 1tl5 h ASN 24 Cb 0.10 0.16 -0.08 0.00 0.05 0.00 0.00 38.32 38.54 1tl5 h ASN 24 CO -0.14 -0.16 0.61 0.11 -1.65 0.00 0.00 177.43 176.20 1tl5 h LYS 25 N -0.17 0.56 -0.81 0.81 1.79 -0.33 0.11 116.57 118.53 1tl5 h LYS 25 Ca 0.06 -0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.67 1tl5 h LYS 25 Cb 0.25 -0.13 -0.11 0.00 -1.58 0.00 0.00 32.23 30.67 1tl5 h LYS 25 CO -0.15 0.37 0.32 1.25 -1.08 0.00 0.00 179.45 180.16 1tl5 h LEU 26 N 0.58 0.26 0.00 2.94 7.12 -0.65 -3.48 115.31 122.08 1tl5 h LEU 26 Ca 0.52 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.66 1tl5 h LEU 26 Cb 1.05 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1tl5 h LEU 26 CO -0.27 0.05 0.00 0.61 -0.13 0.00 0.00 178.44 178.70 1tl5 n GLY 27 N -1.34 -1.72 2.55 3.75 0.00 0.38 -4.99 105.19 103.83 1tl5 n GLY 27 Ca 0.17 0.63 -0.02 0.00 0.00 0.00 0.00 46.02 46.81 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 1.87 3.76 -0.02 0.00 -1.26 -4.89 105.19 104.66 1tl5 n GLY 28 Ca 0.00 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.59 2.58 -0.47 1.61 0.11 -1.26 -5.00 120.40 117.37 1tl5 s VAL 29 Ca 0.12 0.46 -0.22 0.00 -2.93 0.00 0.00 61.98 59.41 1tl5 s VAL 29 Cb 0.39 -3.24 0.03 0.00 -1.53 0.00 0.00 36.38 32.03 1tl5 s VAL 29 CO -0.10 0.02 0.75 -0.75 -3.33 0.00 0.00 175.10 171.69 1tl5 s LYS 30 N -2.65 3.32 0.04 1.54 2.36 -1.26 -4.87 119.74 118.22 1tl5 s LYS 30 Ca 0.65 -0.30 0.03 0.00 -2.55 0.00 0.00 55.97 53.79 1tl5 s LYS 30 Cb -0.36 -3.98 -0.04 0.00 -1.05 0.00 0.00 37.83 32.40 1tl5 s LYS 30 CO 0.44 -1.17 -0.00 1.52 1.55 0.00 0.00 175.35 177.69 1tl5 s TYR 31 N 3.20 3.03 0.03 4.03 1.13 -1.26 -1.09 117.35 126.42 1tl5 s TYR 31 Ca 0.26 0.03 0.04 0.00 -1.41 0.00 0.00 57.07 55.99 1tl5 s TYR 31 Cb -0.14 -1.61 -0.02 0.00 -1.10 0.00 0.00 41.96 39.10 1tl5 s TYR 31 CO 0.20 0.46 -0.12 -0.51 -2.51 0.00 0.00 175.55 173.08 1tl5 s ASP 32 N -1.89 1.36 -0.04 -0.18 1.01 0.67 -4.98 116.67 112.62 1tl5 s ASP 32 Ca 0.22 -0.40 0.03 0.00 0.71 0.00 0.00 52.55 53.11 1tl5 s ASP 32 Cb -0.12 -0.08 0.01 0.00 1.01 0.00 0.00 42.92 43.74 1tl5 s ASP 32 CO 0.14 0.01 -0.11 -0.63 0.21 0.00 0.00 175.17 174.79 1tl5 s ILE 33 N -0.78 0.95 -0.18 0.77 1.09 -1.26 -0.86 121.20 120.93 1tl5 s ILE 33 Ca 0.00 -0.43 -0.03 0.00 -1.10 0.00 0.00 60.65 59.09 1tl5 s ILE 33 Cb -0.07 -0.86 -0.02 0.00 -1.06 0.00 0.00 42.46 40.45 1tl5 s ILE 33 CO 0.01 0.30 -0.06 -0.62 -0.10 0.00 0.00 174.94 174.47 1tl5 s ASP 34 N 0.36 4.43 -0.08 3.58 2.15 0.34 -5.00 116.67 122.44 1tl5 s ASP 34 Ca -0.07 -0.29 -0.08 0.00 0.43 0.00 0.00 52.55 52.55 1tl5 s ASP 34 Cb -0.12 -1.73 -0.05 0.00 -0.30 0.00 0.00 42.92 40.72 1tl5 s ASP 34 CO 0.02 0.08 0.29 -0.07 -0.17 0.00 0.00 175.17 175.32 1tl5 h LEU 35 N 7.36 -0.16 -1.00 -1.34 -0.00 -1.96 -0.08 115.31 118.12 1tl5 h LEU 35 Ca -0.34 -0.06 0.12 0.00 -0.00 0.00 0.00 57.88 57.59 1tl5 h LEU 35 Cb 1.18 0.04 -0.08 0.00 -0.00 0.00 0.00 40.66 41.80 1tl5 h LEU 35 CO 0.60 0.34 0.63 1.55 -0.00 0.00 0.00 178.44 181.56 1tl5 h PRO 36 N -1.04 0.98 -0.01 1.13 0.13 -1.97 0.03 132.00 131.25 1tl5 h PRO 36 Ca -0.02 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1tl5 h PRO 36 Cb 0.21 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1tl5 h PRO 36 CO 0.03 0.65 -0.24 0.09 -0.23 0.00 0.00 178.00 178.30 1tl5 n ASN 37 N -4.61 0.75 -3.64 1.44 3.02 -1.26 -4.97 115.26 105.99 1tl5 n ASN 37 Ca 0.19 -0.65 -0.30 0.00 -0.03 0.00 0.00 54.58 53.79 1tl5 n ASN 37 Cb 0.34 0.07 0.04 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.90 -1.27 -4.77 3.52 4.01 -0.01 -4.82 118.16 113.93 1tl5 n LYS 38 Ca 0.12 0.52 -0.30 0.00 -0.51 0.00 0.00 58.31 58.14 1tl5 n LYS 38 Cb 0.33 -4.20 -0.14 0.00 -0.51 0.00 0.00 35.03 30.51 1tl5 n LYS 38 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1tl5 s LYS 39 N -5.77 1.68 0.02 1.97 2.47 -0.06 -0.65 119.74 119.40 1tl5 s LYS 39 Ca 0.45 -1.16 0.08 0.00 -1.56 0.00 0.00 55.97 53.77 1tl5 s LYS 39 Cb -0.15 -1.94 -0.03 0.00 -1.46 0.00 0.00 37.83 34.25 1tl5 s LYS 39 CO 0.85 0.49 -0.22 0.08 0.16 0.00 0.00 175.35 176.71 1tl5 s VAL 40 N -0.87 2.47 0.08 4.02 1.01 -0.09 -0.51 120.40 126.52 1tl5 s VAL 40 Ca 0.12 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1tl5 s VAL 40 Cb -0.10 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1tl5 s VAL 40 CO 0.03 0.41 -0.07 0.00 0.00 0.00 0.00 175.10 175.48 1tl5 s ILE 42 N -3.06 0.72 -0.42 0.00 1.01 0.37 -0.24 121.20 119.59 1tl5 s ILE 42 Ca 0.06 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1tl5 s ILE 42 Cb 0.01 -0.66 0.14 0.00 0.01 0.00 0.00 42.46 41.97 1tl5 s ILE 42 CO -0.04 0.02 0.26 -0.70 0.00 0.00 0.00 174.94 174.48 1tl5 s GLU 43 N -0.70 1.04 -0.10 2.79 -6.30 -0.25 -0.66 118.70 114.51 1tl5 s GLU 43 Ca 0.00 -1.85 -0.26 0.00 -2.50 0.00 0.00 54.97 50.36 1tl5 s GLU 43 Cb -0.06 -1.91 0.06 0.00 0.00 0.00 0.00 34.13 32.22 1tl5 s GLU 43 CO 0.00 -1.21 0.61 -1.12 0.02 0.00 0.00 175.26 173.56 1tl5 s SER 44 N 0.47 -0.59 -1.02 -1.70 0.01 0.19 -4.08 113.70 106.98 1tl5 s SER 44 Ca 0.20 0.79 -0.14 0.00 1.31 0.00 0.00 55.95 58.12 1tl5 s SER 44 Cb -0.19 0.74 -0.08 0.00 0.21 0.00 0.00 66.02 66.69 1tl5 s SER 44 CO -0.03 -0.46 2.15 -0.62 0.41 0.00 0.00 173.24 174.69 1tl5 n GLU 45 N 1.53 2.16 -4.35 12.44 1.02 -1.26 -4.63 120.64 127.54 1tl5 n GLU 45 Ca -0.18 -1.87 -0.23 0.00 -0.02 0.00 0.00 57.16 54.87 1tl5 n GLU 45 Cb 0.56 -2.80 -0.11 0.00 -0.02 0.00 0.00 31.44 29.07 1tl5 n GLU 45 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1tl5 s HIS 46 N 3.85 1.92 0.11 -0.32 3.76 -1.26 -5.12 115.29 118.24 1tl5 s HIS 46 Ca 0.51 -0.44 -0.31 0.00 -0.15 0.00 0.00 55.06 54.67 1tl5 s HIS 46 Cb 0.13 -0.96 -0.08 0.00 1.11 0.00 0.00 32.58 32.78 1tl5 s HIS 46 CO 0.01 0.36 1.46 0.45 -0.85 0.00 0.00 174.74 176.18 1tl5 s SER 47 N -2.64 6.75 0.22 1.40 0.15 -1.26 -4.91 113.70 113.41 1tl5 s SER 47 Ca 0.16 2.40 -0.08 0.00 0.70 0.00 0.00 55.95 59.13 1tl5 s SER 47 Cb -0.06 -2.58 0.36 0.00 -1.71 0.00 0.00 66.02 62.02 1tl5 s SER 47 CO 0.07 -0.72 1.69 0.24 1.20 0.00 0.00 173.24 175.72 1tl5 h MET 48 N 7.01 0.25 0.03 5.44 2.86 -1.98 -1.28 114.93 127.26 1tl5 h MET 48 Ca -0.42 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.23 1tl5 h MET 48 Cb 1.20 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.77 1tl5 h MET 48 CO 0.89 0.17 -0.22 0.22 1.06 0.00 0.00 176.91 179.02 1tl5 h ASP 49 N 0.26 -0.63 -0.21 1.22 3.58 -1.98 0.16 116.42 118.80 1tl5 h ASP 49 Ca 0.36 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.94 1tl5 h ASP 49 Cb 0.56 0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.82 1tl5 h ASP 49 CO -0.45 -0.29 -0.09 0.74 -2.88 0.00 0.00 179.24 176.27 1tl5 h THR 50 N -0.36 0.70 0.51 2.25 2.02 -1.82 0.17 112.91 116.37 1tl5 h THR 50 Ca 0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1tl5 h THR 50 Cb 0.43 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1tl5 h THR 50 CO -0.18 0.00 -0.40 -0.07 0.37 0.00 0.00 175.52 175.24 1tl5 h LEU 51 N -0.06 -1.04 -0.17 2.58 3.38 -0.83 -0.34 115.31 118.83 1tl5 h LEU 51 Ca 0.11 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1tl5 h LEU 51 Cb 0.23 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1tl5 h LEU 51 CO -0.25 -0.58 -0.48 0.25 0.09 0.00 0.00 178.44 177.47 1tl5 h LEU 52 N -0.89 -1.55 -1.57 1.67 6.46 -0.39 0.19 115.31 119.23 1tl5 h LEU 52 Ca -0.05 0.19 0.05 0.00 -0.12 0.00 0.00 57.88 57.94 1tl5 h LEU 52 Cb 0.76 0.61 -0.03 0.00 -0.73 0.00 0.00 40.66 41.27 1tl5 h LEU 52 CO 0.00 -0.41 0.36 0.00 -0.62 0.00 0.00 178.44 177.76 1tl5 h ALA 53 N -0.39 1.81 0.40 1.25 0.00 -0.63 0.83 119.26 122.53 1tl5 h ALA 53 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1tl5 h ALA 53 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1tl5 h ALA 53 CO -0.41 0.11 -0.19 1.15 0.00 0.00 0.00 179.25 179.90 1tl5 h THR 54 N 0.54 0.00 -0.46 0.00 2.02 -0.28 -3.36 112.91 111.38 1tl5 h THR 54 Ca 0.22 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1tl5 h THR 54 Cb 0.21 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1tl5 h THR 54 CO -0.06 0.00 0.30 0.17 0.37 0.00 0.00 175.52 176.30 1tl5 h LEU 55 N -0.66 0.47 -0.96 2.58 8.10 -0.03 -1.37 115.31 123.43 1tl5 h LEU 55 Ca -0.05 -0.01 0.38 0.00 0.11 0.00 0.00 57.88 58.31 1tl5 h LEU 55 Cb 0.41 -0.11 -0.15 0.00 -0.44 0.00 0.00 40.66 40.37 1tl5 h LEU 55 CO 0.09 0.33 0.55 1.17 -4.11 0.00 0.00 178.44 176.47 1tl5 n LYS 56 N -4.47 -0.05 0.01 0.17 4.81 0.23 -1.07 118.16 117.78 1tl5 n LYS 56 Ca 0.04 1.19 0.01 0.00 -0.87 0.00 0.00 58.31 58.69 1tl5 n LYS 56 Cb 0.11 -2.19 0.06 0.00 0.02 0.00 0.00 35.03 33.03 1tl5 n LYS 56 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1tl5 n LYS 57 N -4.87 0.01 0.07 1.64 5.02 -0.52 -0.72 118.16 118.79 1tl5 n LYS 57 Ca 0.34 0.50 0.19 0.00 -2.02 0.00 0.00 58.31 57.32 1tl5 n LYS 57 Cb 1.20 -1.53 0.73 0.00 -0.02 0.00 0.00 35.03 35.40 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 0.63 -3.40 -0.18 1.35 -1.34 -3.46 112.91 106.51 1tl5 h THR 58 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.67 1tl5 h THR 58 Cb 0.01 0.75 0.07 0.00 -1.73 0.00 0.00 68.15 67.26 1tl5 h THR 58 CO 0.00 0.00 -0.33 0.61 -0.25 0.00 0.00 175.52 175.55 1tl5 n GLY 59 N -1.56 0.21 3.34 5.82 0.00 0.10 -5.04 105.19 108.05 1tl5 n GLY 59 Ca 0.07 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.51 1.45 -0.43 1.61 -0.14 -1.26 -5.05 119.74 110.41 1tl5 s LYS 60 Ca 0.25 -1.79 -0.05 0.00 -1.36 0.00 0.00 55.97 53.02 1tl5 s LYS 60 Cb -0.11 -0.36 -0.14 0.00 -1.68 0.00 0.00 37.83 35.54 1tl5 s LYS 60 CO 0.35 -0.28 2.60 2.41 -0.76 0.00 0.00 175.35 179.68 1tl5 n THR 61 N -0.50 2.48 -2.53 2.17 -1.04 -1.26 -4.81 114.28 108.79 1tl5 n THR 61 Ca -0.00 -1.35 -0.40 0.00 -2.04 0.00 0.00 64.05 60.25 1tl5 n THR 61 Cb 0.66 -2.02 -0.03 0.00 -1.82 0.00 0.00 70.33 67.13 1tl5 n THR 61 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1tl5 s VAL 62 N 2.11 3.91 0.27 12.58 -7.23 -1.26 -3.00 120.40 127.77 1tl5 s VAL 62 Ca 0.48 -0.83 -0.17 0.00 -1.81 0.00 0.00 61.98 59.65 1tl5 s VAL 62 Cb 0.19 -5.01 -0.09 0.00 0.56 0.00 0.00 36.38 32.03 1tl5 s VAL 62 CO -0.02 -1.89 0.73 -0.44 -0.31 0.00 0.00 175.10 173.17 1tl5 s SER 63 N 5.09 6.93 -0.21 4.85 0.01 0.19 -4.90 113.70 125.66 1tl5 s SER 63 Ca 0.48 1.35 -0.09 0.00 1.31 0.00 0.00 55.95 59.00 1tl5 s SER 63 Cb -0.00 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1tl5 s SER 63 CO -0.08 -0.07 0.11 -0.47 0.41 0.00 0.00 173.24 173.14 1tl5 s TYR 64 N -1.73 3.28 -0.45 2.43 5.04 -1.26 -1.02 117.35 123.64 1tl5 s TYR 64 Ca 0.48 0.11 0.06 0.00 -2.44 0.00 0.00 57.07 55.28 1tl5 s TYR 64 Cb -0.14 -2.18 0.18 0.00 0.35 0.00 0.00 41.96 40.17 1tl5 s TYR 64 CO 0.19 0.08 0.59 -0.48 -1.34 0.00 0.00 175.55 174.60 1tl5 s LEU 65 N 0.78 -0.95 0.00 6.97 -0.00 0.37 -4.93 118.68 120.92 1tl5 s LEU 65 Ca 0.06 -1.53 0.00 0.00 -0.00 0.00 0.00 54.13 52.66 1tl5 s LEU 65 Cb -0.13 1.45 0.00 0.00 -0.00 0.00 0.00 46.19 47.51 1tl5 s LEU 65 CO 0.02 -0.14 0.00 0.61 -0.00 0.00 0.00 176.35 176.84 1tl5 n GLY 66 N 3.65 4.36 3.14 -3.48 0.00 -1.23 -4.42 105.19 107.23 1tl5 n GLY 66 Ca 0.16 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 1.92 0.00 0.99 2.96 -1.26 -0.63 118.68 122.66 1tl5 s LEU 67 Ca 0.00 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1tl5 s LEU 67 Cb 0.00 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 45.50 1tl5 s LEU 67 CO 0.00 0.11 0.20 -0.62 -1.32 0.00 0.00 176.35 174.72