#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl4 s PRO 2 N 0.00 0.79 -0.17 2.12 0.04 -1.26 -4.79 135.00 131.74 1tl4 s PRO 2 Ca 0.00 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 1tl4 s PRO 2 Cb 0.00 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 1tl4 s PRO 2 CO 0.00 -2.66 0.19 0.21 0.04 0.00 0.00 177.00 174.78 1tl4 s LYS 3 N -4.71 4.07 -0.32 4.56 2.20 0.15 -3.69 119.74 121.99 1tl4 s LYS 3 Ca 0.66 -0.08 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 1tl4 s LYS 3 Cb -0.21 -3.37 0.10 0.00 -1.51 0.00 0.00 37.83 32.83 1tl4 s LYS 3 CO 0.59 0.38 0.08 -1.01 -0.36 0.00 0.00 175.35 175.03 1tl4 s HIS 4 N 0.09 2.63 0.16 4.03 3.76 0.59 -1.73 115.29 124.82 1tl4 s HIS 4 Ca 0.12 -2.30 -0.07 0.00 -0.15 0.00 0.00 55.06 52.66 1tl4 s HIS 4 Cb -0.12 -2.25 -0.06 0.00 1.11 0.00 0.00 32.58 31.25 1tl4 s HIS 4 CO 0.02 -0.91 0.44 -1.21 -0.85 0.00 0.00 174.74 172.22 1tl4 s GLU 5 N 1.30 3.70 -0.01 1.40 2.02 -1.24 -0.73 118.70 125.14 1tl4 s GLU 5 Ca 0.10 0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1tl4 s GLU 5 Cb -0.18 -2.80 0.01 0.00 0.10 0.00 0.00 34.13 31.27 1tl4 s GLU 5 CO -0.18 0.43 0.01 -0.06 0.02 0.00 0.00 175.26 175.49 1tl4 s PHE 6 N -1.68 0.03 -0.23 1.61 0.40 0.35 -0.41 117.98 118.05 1tl4 s PHE 6 Ca 0.42 0.06 -0.16 0.00 -0.60 0.00 0.00 56.93 56.65 1tl4 s PHE 6 Cb -0.12 -0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.24 1tl4 s PHE 6 CO 0.23 -0.05 0.39 0.45 0.70 0.00 0.00 175.22 176.94 1tl4 s SER 7 N 0.52 6.37 -0.14 1.36 0.15 0.30 -0.42 113.70 121.85 1tl4 s SER 7 Ca -0.04 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1tl4 s SER 7 Cb -0.06 -2.22 0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1tl4 s SER 7 CO -0.01 -0.12 -0.12 -0.69 1.20 0.00 0.00 173.24 173.49 1tl4 s VAL 8 N 1.61 1.39 -1.11 4.45 1.01 0.29 -0.33 120.40 127.71 1tl4 s VAL 8 Ca 0.18 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 1tl4 s VAL 8 Cb -0.15 -1.33 -0.14 0.00 0.00 0.00 0.00 36.38 34.76 1tl4 s VAL 8 CO 0.08 0.43 1.97 -0.67 0.00 0.00 0.00 175.10 176.91 1tl4 n ASP 9 N 4.81 2.56 -4.61 3.32 2.03 -0.44 -3.74 116.55 120.48 1tl4 n ASP 9 Ca -0.16 -2.64 -0.43 0.00 0.52 0.00 0.00 54.79 52.08 1tl4 n ASP 9 Cb 0.50 -1.67 -0.02 0.00 -0.72 0.00 0.00 41.12 39.21 1tl4 n ASP 9 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1tl4 s MET 10 N 6.91 3.75 -0.00 -0.67 -1.94 -1.26 -4.86 119.30 121.22 1tl4 s MET 10 Ca 0.71 0.83 0.12 0.00 -1.71 0.00 0.00 55.69 55.64 1tl4 s MET 10 Cb -0.00 -3.92 -0.22 0.00 2.01 0.00 0.00 34.83 32.70 1tl4 s MET 10 CO 0.15 -1.34 0.80 0.00 -0.01 0.00 0.00 175.02 174.62 1tl4 h THR 11 N 6.20 1.00 -3.92 2.05 1.03 -1.90 -3.45 112.91 113.92 1tl4 h THR 11 Ca -0.24 -2.81 -0.11 0.00 -0.01 0.00 0.00 66.41 63.23 1tl4 h THR 11 Cb 1.08 2.49 -0.12 0.00 -1.07 0.00 0.00 68.15 70.53 1tl4 h THR 11 CO 1.09 0.57 -0.31 0.00 -0.01 0.00 0.00 175.52 176.86 1tl4 h GLY 13 N 2.48 1.67 -0.42 0.00 0.00 -2.00 0.36 103.07 105.17 1tl4 h GLY 13 Ca -0.31 -0.12 0.31 0.00 0.00 0.00 0.00 47.33 47.22 1tl4 h GLY 13 CO 0.46 -0.43 0.70 -1.33 0.00 0.00 0.00 176.54 175.94 1tl4 h GLY 14 N 0.25 1.34 0.89 4.60 0.00 -1.98 0.26 103.07 108.43 1tl4 h GLY 14 Ca 0.63 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.70 1tl4 h GLY 14 CO -0.64 -0.24 -0.11 0.00 0.00 0.00 0.00 176.54 175.55 1tl4 h ALA 16 N 0.76 0.42 -0.22 0.00 0.00 -0.65 0.93 119.26 120.50 1tl4 h ALA 16 Ca 0.07 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1tl4 h ALA 16 Cb 0.61 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1tl4 h ALA 16 CO 0.04 -0.12 -0.08 0.93 0.00 0.00 0.00 179.25 180.02 1tl4 h GLU 17 N 0.45 -0.03 -0.01 0.00 5.08 -0.91 0.11 114.58 119.27 1tl4 h GLU 17 Ca 0.12 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1tl4 h GLU 17 Cb -0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1tl4 h GLU 17 CO -0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 179.01 177.90 1tl4 h ALA 18 N 1.18 -0.06 -0.31 3.43 0.00 -0.35 0.76 119.26 123.91 1tl4 h ALA 18 Ca 0.11 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1tl4 h ALA 18 Cb 0.20 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1tl4 h ALA 18 CO -0.25 -0.56 -0.07 0.28 0.00 0.00 0.00 179.25 178.66 1tl4 h VAL 19 N -0.11 0.70 -0.35 0.00 2.07 -0.58 -0.67 116.25 117.30 1tl4 h VAL 19 Ca 0.03 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1tl4 h VAL 19 Cb 0.15 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1tl4 h VAL 19 CO -0.07 0.00 0.08 -1.28 0.02 0.00 0.00 177.57 176.32 1tl4 h SER 20 N 0.00 0.04 -0.44 0.57 0.87 -0.33 0.13 113.55 114.41 1tl4 h SER 20 Ca 0.15 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 1tl4 h SER 20 Cb 0.22 0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.16 1tl4 h SER 20 CO -0.31 0.06 -0.17 -0.09 -0.53 0.00 0.00 176.83 175.78 1tl4 h ARG 21 N 0.21 -0.08 -0.11 2.24 2.43 -0.32 0.36 114.38 119.11 1tl4 h ARG 21 Ca 0.16 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1tl4 h ARG 21 Cb 0.17 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1tl4 h ARG 21 CO -0.20 -0.05 0.04 0.28 -1.51 0.00 0.00 179.97 178.52 1tl4 h VAL 22 N -0.08 1.17 -0.16 0.20 2.07 0.17 -0.06 116.25 119.56 1tl4 h VAL 22 Ca 0.21 -0.51 -0.18 0.00 0.82 0.00 0.00 66.70 67.04 1tl4 h VAL 22 Cb 0.40 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1tl4 h VAL 22 CO -0.49 0.15 -0.63 -0.07 0.02 0.00 0.00 177.57 176.55 1tl4 h LEU 23 N -0.00 0.66 -0.75 2.57 3.38 -0.61 -1.63 115.31 118.94 1tl4 h LEU 23 Ca 0.04 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.67 1tl4 h LEU 23 Cb 0.20 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1tl4 h LEU 23 CO -0.00 1.13 0.45 -1.13 0.09 0.00 0.00 178.44 178.98 1tl4 h ASN 24 N 0.42 0.70 -0.39 -0.43 -0.00 -0.19 0.16 115.58 115.86 1tl4 h ASN 24 Ca -0.01 0.02 0.05 0.00 -0.00 0.00 0.00 56.30 56.36 1tl4 h ASN 24 Cb 1.20 -0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 39.38 1tl4 h ASN 24 CO 0.12 0.46 0.26 0.11 -0.00 0.00 0.00 177.43 178.38 1tl4 h LYS 25 N 0.84 0.29 0.47 6.67 1.79 -0.36 -0.95 116.57 125.32 1tl4 h LYS 25 Ca 0.32 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.76 1tl4 h LYS 25 Cb 0.14 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1tl4 h LYS 25 CO -0.16 0.19 -0.38 1.25 -1.08 0.00 0.00 179.45 179.27 1tl4 h LEU 26 N 0.30 -1.02 0.00 2.94 7.12 -0.09 -3.49 115.31 121.07 1tl4 h LEU 26 Ca 0.17 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.25 1tl4 h LEU 26 Cb 0.29 0.32 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1tl4 h LEU 26 CO -0.04 -0.54 0.00 0.61 -0.13 0.00 0.00 178.44 178.35 1tl4 n GLY 27 N -1.45 1.82 1.59 3.75 0.00 -0.36 -4.93 105.19 105.61 1tl4 n GLY 27 Ca -0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 1tl4 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tl4 n GLY 28 N 0.00 2.52 3.94 -0.02 0.00 -1.26 -4.80 105.19 105.57 1tl4 n GLY 28 Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1tl4 n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tl4 s VAL 29 N 0.21 5.28 -0.09 1.61 -7.23 -1.26 -4.69 120.40 114.23 1tl4 s VAL 29 Ca 0.10 -0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.64 1tl4 s VAL 29 Cb 0.05 -3.76 0.03 0.00 0.56 0.00 0.00 36.38 33.25 1tl4 s VAL 29 CO 0.00 -0.16 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.84 1tl4 s LYS 30 N -3.38 1.09 -0.07 4.82 2.47 -1.26 -5.05 119.74 118.37 1tl4 s LYS 30 Ca 0.36 -0.10 -0.00 0.00 -1.56 0.00 0.00 55.97 54.66 1tl4 s LYS 30 Cb -0.11 -1.26 0.03 0.00 -1.46 0.00 0.00 37.83 35.03 1tl4 s LYS 30 CO 0.29 -0.25 -0.02 1.52 0.16 0.00 0.00 175.35 177.05 1tl4 s TYR 31 N 1.69 0.81 0.48 4.03 1.13 -1.26 -0.77 117.35 123.46 1tl4 s TYR 31 Ca 0.03 -0.26 -0.12 0.00 -1.41 0.00 0.00 57.07 55.31 1tl4 s TYR 31 Cb -0.13 -0.82 -0.06 0.00 -1.10 0.00 0.00 41.96 39.85 1tl4 s TYR 31 CO -0.06 -0.31 0.88 0.34 -2.51 0.00 0.00 175.55 173.89 1tl4 s ASP 32 N 1.60 6.49 -0.06 -0.18 2.15 0.15 -4.87 116.67 121.94 1tl4 s ASP 32 Ca -0.00 1.30 -0.00 0.00 0.43 0.00 0.00 52.55 54.28 1tl4 s ASP 32 Cb -0.13 -2.40 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 1tl4 s ASP 32 CO -0.04 -0.55 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.76 1tl4 s ILE 33 N -2.61 0.49 -0.17 4.11 1.01 -1.26 -0.89 121.20 121.89 1tl4 s ILE 33 Ca 0.54 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 61.18 1tl4 s ILE 33 Cb -0.10 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 41.81 1tl4 s ILE 33 CO 0.36 0.25 -0.16 -0.62 0.00 0.00 0.00 174.94 174.77 1tl4 s ASP 34 N 1.46 2.92 -0.02 3.58 -1.08 0.21 -5.01 116.67 118.73 1tl4 s ASP 34 Ca -0.03 -0.58 -0.02 0.00 -0.52 0.00 0.00 52.55 51.40 1tl4 s ASP 34 Cb -0.13 -1.31 -0.01 0.00 -1.46 0.00 0.00 42.92 40.01 1tl4 s ASP 34 CO -0.03 -0.04 0.21 -0.07 0.52 0.00 0.00 175.17 175.76 1tl4 h LEU 35 N 8.00 -0.06 -1.31 -1.34 3.38 -1.95 0.58 115.31 122.61 1tl4 h LEU 35 Ca -0.41 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.68 1tl4 h LEU 35 Cb 1.13 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1tl4 h LEU 35 CO 0.57 0.07 0.54 1.55 0.09 0.00 0.00 178.44 181.27 1tl4 h PRO 36 N -0.29 0.72 -0.36 1.13 0.13 -1.97 0.34 132.00 131.69 1tl4 h PRO 36 Ca -0.01 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1tl4 h PRO 36 Cb 0.05 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1tl4 h PRO 36 CO 0.01 0.47 0.00 0.09 -0.23 0.00 0.00 178.00 178.34 1tl4 n ASN 37 N -4.52 2.58 -3.42 1.44 3.02 -1.26 -4.98 115.26 108.11 1tl4 n ASN 37 Ca 0.15 -1.90 -0.21 0.00 -0.03 0.00 0.00 54.58 52.58 1tl4 n ASN 37 Cb 0.37 -0.24 0.06 0.00 -0.61 0.00 0.00 39.78 39.36 1tl4 n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1tl4 n LYS 38 N 0.91 -1.82 -3.83 3.52 5.02 0.11 -4.88 118.16 117.19 1tl4 n LYS 38 Ca 0.17 0.72 -0.12 0.00 -2.02 0.00 0.00 58.31 57.06 1tl4 n LYS 38 Cb 0.45 -5.14 -0.09 0.00 -0.02 0.00 0.00 35.03 30.22 1tl4 n LYS 38 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1tl4 s LYS 39 N -5.00 0.56 -0.04 1.97 2.20 0.15 -0.55 119.74 119.04 1tl4 s LYS 39 Ca 0.46 -0.33 0.01 0.00 -0.36 0.00 0.00 55.97 55.75 1tl4 s LYS 39 Cb -0.10 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.48 1tl4 s LYS 39 CO 0.79 -0.14 -0.05 0.08 -0.36 0.00 0.00 175.35 175.67 1tl4 s VAL 40 N -1.40 0.54 -0.31 4.02 1.01 0.44 -0.62 120.40 124.08 1tl4 s VAL 40 Ca -0.14 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1tl4 s VAL 40 Cb -0.07 -0.56 0.08 0.00 0.00 0.00 0.00 36.38 35.84 1tl4 s VAL 40 CO 0.02 0.22 -0.01 0.00 0.00 0.00 0.00 175.10 175.34 1tl4 s ILE 42 N 1.04 4.73 -0.32 0.00 1.01 0.09 -0.67 121.20 127.08 1tl4 s ILE 42 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 1tl4 s ILE 42 Cb -0.20 -3.20 0.10 0.00 0.01 0.00 0.00 42.46 39.18 1tl4 s ILE 42 CO -0.06 0.35 0.12 -1.61 0.00 0.00 0.00 174.94 173.74 1tl4 s GLU 43 N 1.32 0.75 0.37 2.79 2.02 0.05 -0.30 118.70 125.69 1tl4 s GLU 43 Ca 0.06 -1.16 -0.11 0.00 0.02 0.00 0.00 54.97 53.78 1tl4 s GLU 43 Cb -0.15 -1.97 0.04 0.00 0.10 0.00 0.00 34.13 32.15 1tl4 s GLU 43 CO 0.05 -1.01 0.68 0.45 0.02 0.00 0.00 175.26 175.44 1tl4 n SER 44 N 4.70 -1.96 -3.49 -0.19 2.88 -1.24 -4.07 113.62 110.24 1tl4 n SER 44 Ca -0.01 -2.59 -0.40 0.00 -1.33 0.00 0.00 58.87 54.54 1tl4 n SER 44 Cb 0.41 3.33 -0.00 0.00 -0.75 0.00 0.00 64.21 67.20 1tl4 n SER 44 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tl4 n GLU 45 N -0.52 4.54 -3.76 -1.46 4.71 -1.26 -1.37 120.64 121.52 1tl4 n GLU 45 Ca -0.06 -3.43 -0.15 0.00 -0.01 0.00 0.00 57.16 53.51 1tl4 n GLU 45 Cb 0.56 -2.65 -0.16 0.00 -1.01 0.00 0.00 31.44 28.19 1tl4 n GLU 45 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1tl4 s HIS 46 N -1.00 -0.02 0.59 -0.32 3.76 -1.26 -5.03 115.29 112.01 1tl4 s HIS 46 Ca 0.54 0.23 -0.18 0.00 -0.15 0.00 0.00 55.06 55.51 1tl4 s HIS 46 Cb 0.18 -0.22 -0.03 0.00 1.11 0.00 0.00 32.58 33.62 1tl4 s HIS 46 CO -0.09 -0.12 1.14 0.45 -0.85 0.00 0.00 174.74 175.27 1tl4 s SER 47 N 1.19 5.40 0.46 1.40 0.15 -1.26 -4.81 113.70 116.23 1tl4 s SER 47 Ca -0.08 2.15 0.22 0.00 0.70 0.00 0.00 55.95 58.95 1tl4 s SER 47 Cb -0.13 -2.57 1.22 0.00 -1.71 0.00 0.00 66.02 62.83 1tl4 s SER 47 CO -0.04 -1.43 1.86 0.00 1.20 0.00 0.00 173.24 174.83 1tl4 h MET 48 N 0.73 0.26 0.53 5.44 -0.00 -1.98 -0.72 114.93 119.19 1tl4 h MET 48 Ca -0.49 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.17 1tl4 h MET 48 Cb 1.26 -0.06 0.01 0.00 -0.00 0.00 0.00 31.60 32.81 1tl4 h MET 48 CO 0.55 0.17 -0.26 -0.44 -0.00 0.00 0.00 176.91 176.94 1tl4 h ASP 49 N 0.27 -0.61 -0.57 -0.10 5.19 -1.98 0.31 116.42 118.93 1tl4 h ASP 49 Ca 0.47 -0.04 0.09 0.00 -0.62 0.00 0.00 57.03 56.93 1tl4 h ASP 49 Cb 1.39 0.16 -0.07 0.00 0.18 0.00 0.00 39.33 40.99 1tl4 h ASP 49 CO -0.13 -0.33 0.19 0.74 -3.12 0.00 0.00 179.24 176.59 1tl4 h THR 50 N -0.87 0.76 0.63 0.35 2.02 -1.61 -0.49 112.91 113.71 1tl4 h THR 50 Ca -0.07 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1tl4 h THR 50 Cb 0.61 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1tl4 h THR 50 CO 0.12 0.07 -0.30 -0.07 0.37 0.00 0.00 175.52 175.70 1tl4 h LEU 51 N 0.36 -0.72 -0.98 2.58 3.38 -1.13 -3.15 115.31 115.64 1tl4 h LEU 51 Ca 0.29 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.38 1tl4 h LEU 51 Cb 0.36 0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.17 1tl4 h LEU 51 CO -0.31 -0.48 -0.55 -0.07 0.09 0.00 0.00 178.44 177.12 1tl4 h LEU 52 N -0.92 -2.04 -1.20 1.67 3.38 0.18 0.50 115.31 116.89 1tl4 h LEU 52 Ca -0.09 0.32 0.19 0.00 0.09 0.00 0.00 57.88 58.39 1tl4 h LEU 52 Cb 0.65 0.92 -0.09 0.00 0.09 0.00 0.00 40.66 42.23 1tl4 h LEU 52 CO 0.14 -0.24 0.61 0.00 0.09 0.00 0.00 178.44 179.04 1tl4 h ALA 53 N 0.64 1.86 0.15 1.53 0.00 -1.21 0.14 119.26 122.37 1tl4 h ALA 53 Ca 0.19 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 1tl4 h ALA 53 Cb 0.45 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1tl4 h ALA 53 CO -0.94 -0.18 -0.93 1.15 0.00 0.00 0.00 179.25 178.34 1tl4 h THR 54 N 0.66 1.45 -0.53 0.00 2.02 -0.23 -3.34 112.91 112.94 1tl4 h THR 54 Ca 0.53 -2.54 -0.05 0.00 0.77 0.00 0.00 66.41 65.11 1tl4 h THR 54 Cb 0.95 3.15 -0.02 0.00 -1.74 0.00 0.00 68.15 70.49 1tl4 h THR 54 CO -0.29 0.73 0.12 -0.07 0.37 0.00 0.00 175.52 176.37 1tl4 h LEU 55 N -0.32 0.76 -1.85 2.58 3.38 0.51 0.93 115.31 121.32 1tl4 h LEU 55 Ca -0.17 -0.14 0.15 0.00 0.09 0.00 0.00 57.88 57.81 1tl4 h LEU 55 Cb 1.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 1tl4 h LEU 55 CO 0.16 0.76 0.57 0.11 0.09 0.00 0.00 178.44 180.13 1tl4 h LYS 56 N 0.79 0.00 0.00 1.13 6.56 -0.89 -0.66 116.57 123.50 1tl4 h LYS 56 Ca 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 1tl4 h LYS 56 Cb 0.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1tl4 h LYS 56 CO 0.00 0.00 0.00 0.87 -2.06 0.00 0.00 179.45 178.26 1tl4 h LYS 57 N 0.00 0.00 -0.96 3.15 1.57 -0.92 0.37 116.57 119.78 1tl4 h LYS 57 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1tl4 h LYS 57 Cb 1.38 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.65 1tl4 h LYS 57 CO -0.00 0.00 0.60 1.79 -0.57 0.00 0.00 179.45 181.27 1tl4 h THR 58 N 0.00 1.26 -4.43 -0.16 1.35 -1.28 -3.47 112.91 106.18 1tl4 h THR 58 Ca 0.00 -0.53 -0.32 0.00 -0.55 0.00 0.00 66.41 65.00 1tl4 h THR 58 Cb 0.15 -0.12 0.09 0.00 -1.73 0.00 0.00 68.15 66.54 1tl4 h THR 58 CO 0.00 0.26 -0.52 0.61 -0.25 0.00 0.00 175.52 175.62 1tl4 n GLY 59 N -1.29 -0.27 2.03 5.82 0.00 0.13 -5.03 105.19 106.58 1tl4 n GLY 59 Ca 0.11 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1tl4 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tl4 n LYS 60 N -3.85 1.02 -1.69 1.61 5.02 -1.26 -5.00 118.16 114.01 1tl4 n LYS 60 Ca -0.03 -1.80 -0.27 0.00 -2.02 0.00 0.00 58.31 54.19 1tl4 n LYS 60 Cb 0.57 0.15 -0.08 0.00 -0.02 0.00 0.00 35.03 35.64 1tl4 n LYS 60 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1tl4 n THR 61 N -1.25 1.17 -3.42 -0.18 -1.04 -1.26 -4.84 114.28 103.46 1tl4 n THR 61 Ca 0.00 -1.19 -0.44 0.00 -2.04 0.00 0.00 64.05 60.38 1tl4 n THR 61 Cb 0.33 -2.12 -0.04 0.00 -1.82 0.00 0.00 70.33 66.68 1tl4 n THR 61 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1tl4 s VAL 62 N 12.08 5.11 0.12 12.58 0.11 -1.26 -1.33 120.40 147.81 1tl4 s VAL 62 Ca 0.71 -2.38 -0.23 0.00 -2.93 0.00 0.00 61.98 57.15 1tl4 s VAL 62 Cb 0.01 -4.21 -0.07 0.00 -1.53 0.00 0.00 36.38 30.58 1tl4 s VAL 62 CO 0.17 -0.96 0.71 -0.44 -3.33 0.00 0.00 175.10 171.25 1tl4 s SER 63 N 2.12 7.27 0.11 3.54 0.01 0.55 -4.94 113.70 122.36 1tl4 s SER 63 Ca 0.15 1.50 -0.24 0.00 1.31 0.00 0.00 55.95 58.67 1tl4 s SER 63 Cb -0.16 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 1tl4 s SER 63 CO -0.06 0.20 0.73 -0.47 0.41 0.00 0.00 173.24 174.06 1tl4 s TYR 64 N -0.98 3.83 0.54 2.43 5.04 -1.26 -0.54 117.35 126.41 1tl4 s TYR 64 Ca 0.34 1.51 0.06 0.00 -2.44 0.00 0.00 57.07 56.54 1tl4 s TYR 64 Cb -0.22 -2.74 0.04 0.00 0.35 0.00 0.00 41.96 39.40 1tl4 s TYR 64 CO 0.24 0.45 0.44 -0.51 -1.34 0.00 0.00 175.55 174.82 1tl4 s LEU 65 N -0.76 2.79 0.39 6.97 2.01 0.45 -4.84 118.68 125.68 1tl4 s LEU 65 Ca 0.35 -1.17 -0.25 0.00 0.01 0.00 0.00 54.13 53.07 1tl4 s LEU 65 Cb -0.22 -1.29 -0.12 0.00 0.01 0.00 0.00 46.19 44.58 1tl4 s LEU 65 CO 0.24 -1.10 0.92 0.61 1.01 0.00 0.00 176.35 178.03 1tl4 n GLY 66 N -1.80 -0.46 3.78 -3.19 0.00 -1.26 -4.43 105.19 97.83 1tl4 n GLY 66 Ca 0.01 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1tl4 n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tl4 s LEU 67 N 0.10 4.55 0.00 0.99 0.20 -1.26 -3.61 118.68 119.66 1tl4 s LEU 67 Ca 0.62 1.66 0.00 0.00 0.69 0.00 0.00 54.13 57.11 1tl4 s LEU 67 Cb -0.60 -3.41 0.00 0.00 -0.43 0.00 0.00 46.19 41.75 1tl4 s LEU 67 CO 0.58 0.17 0.06 -0.62 -0.29 0.00 0.00 176.35 176.24