#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 -0.25 0.02 2.12 0.04 -1.26 -4.96 135.00 130.70 1tl4 s PRO 2 Ca 0.00 0.88 0.08 0.00 0.04 0.00 0.00 61.00 62.01 1tl4 s PRO 2 Cb 0.00 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.89 1tl4 s PRO 2 CO 0.00 -3.29 -0.25 0.21 0.04 0.00 0.00 177.00 173.71 1tl4 s LYS 3 N -4.61 1.98 -0.16 4.56 2.36 0.12 -4.08 119.74 119.91 1tl4 s LYS 3 Ca 0.67 -1.01 -0.00 0.00 -2.55 0.00 0.00 55.97 53.08 1tl4 s LYS 3 Cb -0.23 -2.04 0.04 0.00 -1.05 0.00 0.00 37.83 34.55 1tl4 s LYS 3 CO 0.62 0.54 -0.06 -1.01 1.55 0.00 0.00 175.35 176.98 1tl4 s HIS 4 N -0.74 1.74 -0.02 4.03 3.76 0.27 -1.61 115.29 122.72 1tl4 s HIS 4 Ca 0.11 -1.06 -0.07 0.00 -0.15 0.00 0.00 55.06 53.89 1tl4 s HIS 4 Cb -0.10 -1.34 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 1tl4 s HIS 4 CO 0.01 -0.61 0.25 -2.00 -0.85 0.00 0.00 174.74 171.55 1tl4 s GLU 5 N 1.62 3.58 -0.03 1.40 2.12 -1.26 -0.74 118.70 125.40 1tl4 s GLU 5 Ca 0.02 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.33 1tl4 s GLU 5 Cb -0.15 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1tl4 s GLU 5 CO -0.08 0.68 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.17 1tl4 s PHE 6 N -1.22 0.99 -0.21 5.30 0.40 0.65 -0.51 117.98 123.37 1tl4 s PHE 6 Ca 0.25 -0.25 -0.20 0.00 -0.60 0.00 0.00 56.93 56.12 1tl4 s PHE 6 Cb -0.13 -0.71 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 1tl4 s PHE 6 CO 0.13 -0.11 0.59 0.45 0.70 0.00 0.00 175.22 176.98 1tl4 s SER 7 N 0.24 6.61 -0.05 1.36 0.15 0.06 -0.60 113.70 121.46 1tl4 s SER 7 Ca -0.04 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 57.34 1tl4 s SER 7 Cb -0.09 -2.33 0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1tl4 s SER 7 CO 0.01 -0.27 0.02 -0.69 1.20 0.00 0.00 173.24 173.50 1tl4 s VAL 8 N 2.00 0.17 -0.85 4.45 1.01 -0.17 -0.70 120.40 126.31 1tl4 s VAL 8 Ca 0.26 0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 1tl4 s VAL 8 Cb -0.16 -0.33 -0.17 0.00 0.00 0.00 0.00 36.38 35.72 1tl4 s VAL 8 CO 0.10 0.19 2.31 -0.67 0.00 0.00 0.00 175.10 177.03 1tl4 n ASP 9 N 4.78 1.38 -4.11 3.32 2.03 -0.17 -3.87 116.55 119.90 1tl4 n ASP 9 Ca -0.14 -1.62 -0.38 0.00 0.52 0.00 0.00 54.79 53.17 1tl4 n ASP 9 Cb 0.50 -1.57 -0.04 0.00 -0.72 0.00 0.00 41.12 39.29 1tl4 n ASP 9 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1tl4 n MET 10 N 8.33 3.04 0.11 -0.67 2.81 -1.26 -4.85 117.12 124.62 1tl4 n MET 10 Ca 0.46 -4.50 -0.02 0.00 -1.81 0.00 0.00 57.70 51.83 1tl4 n MET 10 Cb 0.42 -2.44 0.04 0.00 -0.71 0.00 0.00 33.22 30.52 1tl4 n MET 10 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tl4 h THR 11 N 3.82 1.41 -4.41 2.03 1.03 -1.87 -3.42 112.91 111.51 1tl4 h THR 11 Ca 0.17 -2.64 -0.20 0.00 -0.01 0.00 0.00 66.41 63.74 1tl4 h THR 11 Cb 0.79 2.47 -0.15 0.00 -1.07 0.00 0.00 68.15 70.19 1tl4 h THR 11 CO 0.94 0.73 -0.65 0.00 -0.01 0.00 0.00 175.52 176.53 1tl4 h GLY 13 N 2.83 0.73 0.70 0.00 0.00 -2.00 0.11 103.07 105.45 1tl4 h GLY 13 Ca -0.35 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 46.93 1tl4 h GLY 13 CO 0.59 -0.09 0.65 -1.33 0.00 0.00 0.00 176.54 176.36 1tl4 h GLY 14 N 0.23 1.55 0.85 4.60 0.00 -1.98 0.95 103.07 109.28 1tl4 h GLY 14 Ca 0.57 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1tl4 h GLY 14 CO -0.18 0.31 0.04 0.00 0.00 0.00 0.00 176.54 176.71 1tl4 h ALA 16 N 0.85 0.38 -0.12 0.00 0.00 -1.24 0.15 119.26 119.28 1tl4 h ALA 16 Ca 0.07 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1tl4 h ALA 16 Cb 0.31 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1tl4 h ALA 16 CO 0.00 -0.33 -0.32 1.49 0.00 0.00 0.00 179.25 180.09 1tl4 h GLU 17 N 0.19 -0.38 -0.23 0.00 4.22 -0.74 0.78 114.58 118.40 1tl4 h GLU 17 Ca 0.17 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.67 1tl4 h GLU 17 Cb 0.19 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1tl4 h GLU 17 CO -0.22 -0.26 0.01 0.00 -2.18 0.00 0.00 179.01 176.36 1tl4 h ALA 18 N 0.41 0.21 -0.41 2.92 0.00 -0.33 0.18 119.26 122.24 1tl4 h ALA 18 Ca 0.09 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1tl4 h ALA 18 Cb 0.54 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1tl4 h ALA 18 CO -0.34 -0.41 0.06 0.28 0.00 0.00 0.00 179.25 178.83 1tl4 h VAL 19 N 0.09 0.76 -0.14 0.00 2.07 -0.45 0.11 116.25 118.69 1tl4 h VAL 19 Ca 0.11 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1tl4 h VAL 19 Cb 0.13 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1tl4 h VAL 19 CO -0.18 0.03 0.00 0.28 0.02 0.00 0.00 177.57 177.73 1tl4 h SER 20 N 0.18 -0.04 -0.76 0.57 0.02 0.03 0.10 113.55 113.64 1tl4 h SER 20 Ca 0.20 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.24 1tl4 h SER 20 Cb 0.25 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 1tl4 h SER 20 CO -0.28 -0.00 0.44 0.08 -1.14 0.00 0.00 176.83 175.93 1tl4 h ARG 21 N 0.05 0.77 0.34 3.45 0.11 -0.05 0.17 114.38 119.23 1tl4 h ARG 21 Ca 0.06 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.08 1tl4 h ARG 21 Cb 0.07 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 30.98 1tl4 h ARG 21 CO -0.10 0.51 -0.16 0.28 0.10 0.00 0.00 179.97 180.60 1tl4 h VAL 22 N 0.80 0.65 -0.83 0.08 2.07 -0.31 -2.63 116.25 116.07 1tl4 h VAL 22 Ca 0.34 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1tl4 h VAL 22 Cb 0.22 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1tl4 h VAL 22 CO -0.19 0.10 0.50 -0.07 0.02 0.00 0.00 177.57 177.92 1tl4 h LEU 23 N -0.76 0.99 -1.30 2.57 3.38 -0.64 -0.16 115.31 119.38 1tl4 h LEU 23 Ca -0.05 -0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.05 1tl4 h LEU 23 Cb 0.51 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 1tl4 h LEU 23 CO 0.08 0.76 0.61 -1.13 0.09 0.00 0.00 178.44 178.84 1tl4 h ASN 24 N 1.13 0.58 0.35 -0.43 -0.73 -0.62 0.95 115.58 116.80 1tl4 h ASN 24 Ca 0.30 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.48 1tl4 h ASN 24 Cb -0.05 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1tl4 h ASN 24 CO -0.06 0.23 -0.23 0.11 -0.37 0.00 0.00 177.43 177.11 1tl4 h LYS 25 N 0.58 0.00 0.38 6.67 6.56 -0.63 -0.79 116.57 129.33 1tl4 h LYS 25 Ca 0.51 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.09 1tl4 h LYS 25 Cb 1.02 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.67 1tl4 h LYS 25 CO -0.25 0.23 -0.24 1.25 -2.06 0.00 0.00 179.45 178.38 1tl4 h LEU 26 N 0.00 -0.60 0.00 2.94 7.12 -0.70 -3.49 115.31 120.58 1tl4 h LEU 26 Ca -0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1tl4 h LEU 26 Cb 0.47 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.78 1tl4 h LEU 26 CO 0.03 -0.38 0.00 0.61 -0.13 0.00 0.00 178.44 178.57 1tl4 n GLY 27 N -1.37 1.73 2.03 3.75 0.00 -0.31 -4.94 105.19 106.08 1tl4 n GLY 27 Ca -0.10 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 3.17 3.66 -0.02 0.00 -1.26 -4.75 105.19 105.98 1tl4 n GLY 28 Ca 0.00 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 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 0.42 3.75 -0.01 1.61 -7.23 -1.26 -4.75 120.40 112.92 1tl4 s VAL 29 Ca 0.60 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.43 1tl4 s VAL 29 Cb 0.30 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1tl4 s VAL 29 CO -0.03 -0.03 0.10 -0.75 -0.31 0.00 0.00 175.10 174.08 1tl4 s LYS 30 N -2.70 0.32 0.10 4.82 2.36 -1.26 -4.98 119.74 118.41 1tl4 s LYS 30 Ca 0.26 -0.22 -0.16 0.00 -2.55 0.00 0.00 55.97 53.31 1tl4 s LYS 30 Cb -0.10 0.13 0.03 0.00 -1.05 0.00 0.00 37.83 36.84 1tl4 s LYS 30 CO 0.18 -0.06 0.38 1.52 1.55 0.00 0.00 175.35 178.92 1tl4 s TYR 31 N -0.83 -0.18 0.09 4.03 1.13 -1.26 -1.46 117.35 118.87 1tl4 s TYR 31 Ca -0.09 -0.08 -0.02 0.00 -1.41 0.00 0.00 57.07 55.47 1tl4 s TYR 31 Cb -0.05 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 40.98 1tl4 s TYR 31 CO 0.01 -0.66 0.28 0.34 -2.51 0.00 0.00 175.55 173.01 1tl4 s ASP 32 N -2.62 6.42 -0.32 -0.18 2.15 0.13 -4.92 116.67 117.32 1tl4 s ASP 32 Ca 0.01 0.41 0.02 0.00 0.43 0.00 0.00 52.55 53.42 1tl4 s ASP 32 Cb 0.01 -2.02 0.09 0.00 -0.30 0.00 0.00 42.92 40.71 1tl4 s ASP 32 CO -0.10 0.13 0.05 -0.63 -0.17 0.00 0.00 175.17 174.45 1tl4 s ILE 33 N -1.56 1.85 -0.48 4.11 1.01 -1.26 -1.17 121.20 123.71 1tl4 s ILE 33 Ca 0.37 -1.98 -0.19 0.00 0.00 0.00 0.00 60.65 58.85 1tl4 s ILE 33 Cb -0.13 -2.34 0.05 0.00 0.01 0.00 0.00 42.46 40.05 1tl4 s ILE 33 CO 0.26 -0.55 0.59 -0.62 0.00 0.00 0.00 174.94 174.62 1tl4 s ASP 34 N 1.13 6.23 -0.04 3.58 -1.08 0.15 -4.95 116.67 121.70 1tl4 s ASP 34 Ca 0.08 -0.80 -0.09 0.00 -0.52 0.00 0.00 52.55 51.22 1tl4 s ASP 34 Cb -0.19 -2.28 -0.05 0.00 -1.46 0.00 0.00 42.92 38.95 1tl4 s ASP 34 CO -0.12 -0.81 0.44 -0.07 0.52 0.00 0.00 175.17 175.13 1tl4 h LEU 35 N 9.55 -0.28 -2.03 -1.34 3.38 -1.86 0.88 115.31 123.61 1tl4 h LEU 35 Ca -0.27 0.01 0.13 0.00 0.09 0.00 0.00 57.88 57.84 1tl4 h LEU 35 Cb 1.10 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1tl4 h LEU 35 CO 0.92 0.08 0.35 1.55 0.09 0.00 0.00 178.44 181.43 1tl4 h PRO 36 N -0.88 0.00 -0.41 1.13 0.13 -1.92 0.01 132.00 130.06 1tl4 h PRO 36 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1tl4 h PRO 36 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1tl4 h PRO 36 CO 0.06 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.92 1tl4 n ASN 37 N -4.19 3.25 -3.59 1.44 3.02 -1.26 -5.03 115.26 108.90 1tl4 n ASN 37 Ca 0.08 -2.12 -0.27 0.00 -0.03 0.00 0.00 54.58 52.24 1tl4 n ASN 37 Cb 0.55 -0.31 0.05 0.00 -0.61 0.00 0.00 39.78 39.45 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 0.60 -1.79 -3.85 3.52 5.02 -0.01 -4.90 118.16 116.75 1tl4 n LYS 38 Ca 0.15 0.56 -0.11 0.00 -2.02 0.00 0.00 58.31 56.89 1tl4 n LYS 38 Cb 0.52 -4.61 -0.09 0.00 -0.02 0.00 0.00 35.03 30.82 1tl4 n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1tl4 s LYS 39 N -5.62 0.57 -0.16 1.97 1.02 0.20 -1.00 119.74 116.72 1tl4 s LYS 39 Ca 0.43 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.93 1tl4 s LYS 39 Cb -0.13 0.24 0.05 0.00 -0.52 0.00 0.00 37.83 37.48 1tl4 s LYS 39 CO 0.83 -0.15 0.04 0.08 -0.92 0.00 0.00 175.35 175.23 1tl4 s VAL 40 N -1.77 0.34 -0.46 3.17 1.01 0.23 -0.67 120.40 122.24 1tl4 s VAL 40 Ca -0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1tl4 s VAL 40 Cb -0.05 -0.81 0.12 0.00 0.00 0.00 0.00 36.38 35.64 1tl4 s VAL 40 CO 0.00 -0.13 0.28 0.00 0.00 0.00 0.00 175.10 175.25 1tl4 s ILE 42 N 1.01 5.27 -0.24 0.00 1.01 0.09 -0.70 121.20 127.64 1tl4 s ILE 42 Ca 0.09 0.57 -0.02 0.00 0.00 0.00 0.00 60.65 61.29 1tl4 s ILE 42 Cb -0.23 -3.62 0.08 0.00 0.01 0.00 0.00 42.46 38.70 1tl4 s ILE 42 CO -0.03 0.47 0.07 -1.61 0.00 0.00 0.00 174.94 173.84 1tl4 s GLU 43 N -0.17 0.57 0.36 2.79 2.02 -0.53 -0.57 118.70 123.17 1tl4 s GLU 43 Ca 0.18 -0.62 -0.14 0.00 0.02 0.00 0.00 54.97 54.40 1tl4 s GLU 43 Cb -0.14 -1.91 0.04 0.00 0.10 0.00 0.00 34.13 32.23 1tl4 s GLU 43 CO 0.06 -0.81 0.73 0.45 0.02 0.00 0.00 175.26 175.71 1tl4 s SER 44 N 1.84 0.10 -0.77 -0.19 0.15 -1.26 -4.00 113.70 109.56 1tl4 s SER 44 Ca 0.04 -1.13 -0.07 0.00 0.70 0.00 0.00 55.95 55.50 1tl4 s SER 44 Cb -0.17 0.80 -0.08 0.00 -1.71 0.00 0.00 66.02 64.86 1tl4 s SER 44 CO -0.18 -1.58 3.05 -0.62 1.20 0.00 0.00 173.24 175.11 1tl4 n GLU 45 N -0.52 3.01 -3.94 5.44 -0.58 -1.26 -3.61 120.64 119.18 1tl4 n GLU 45 Ca -0.06 -2.05 -0.22 0.00 -0.42 0.00 0.00 57.16 54.41 1tl4 n GLU 45 Cb 0.60 -2.36 -0.17 0.00 -0.57 0.00 0.00 31.44 28.94 1tl4 n GLU 45 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1tl4 s HIS 46 N 0.36 0.72 0.36 -0.32 3.76 -1.26 -5.05 115.29 113.86 1tl4 s HIS 46 Ca 0.64 -0.20 -0.29 0.00 -0.15 0.00 0.00 55.06 55.06 1tl4 s HIS 46 Cb 0.27 -0.75 -0.11 0.00 1.11 0.00 0.00 32.58 33.10 1tl4 s HIS 46 CO -0.08 -0.27 1.52 -1.13 -0.85 0.00 0.00 174.74 173.93 1tl4 n SER 47 N 4.65 3.85 -0.28 1.40 3.41 -1.26 -4.77 113.62 120.63 1tl4 n SER 47 Ca -0.15 1.21 0.16 0.00 -0.26 0.00 0.00 58.87 59.82 1tl4 n SER 47 Cb 0.50 -1.62 0.31 0.00 -0.26 0.00 0.00 64.21 63.14 1tl4 n SER 47 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1tl4 n MET 48 N 0.89 -0.06 0.36 4.33 0.00 -1.26 -1.20 117.12 120.18 1tl4 n MET 48 Ca 0.03 1.21 -0.19 0.00 0.00 0.00 0.00 57.70 58.75 1tl4 n MET 48 Cb 0.38 -1.99 -0.10 0.00 0.00 0.00 0.00 33.22 31.52 1tl4 n MET 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1tl4 h ASP 49 N 0.00 -1.22 -0.46 3.17 5.19 -1.98 0.22 116.42 121.33 1tl4 h ASP 49 Ca 0.55 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 57.09 1tl4 h ASP 49 Cb 1.25 0.38 -0.04 0.00 0.18 0.00 0.00 39.33 41.10 1tl4 h ASP 49 CO -0.74 -0.68 0.21 0.74 -3.12 0.00 0.00 179.24 175.65 1tl4 h THR 50 N -1.07 0.93 0.41 0.35 2.02 -1.53 0.09 112.91 114.12 1tl4 h THR 50 Ca -0.08 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1tl4 h THR 50 Cb 0.89 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1tl4 h THR 50 CO 0.03 0.08 -0.34 -0.07 0.37 0.00 0.00 175.52 175.59 1tl4 h LEU 51 N 0.43 -0.90 -0.64 2.58 3.38 -0.98 -2.63 115.31 116.54 1tl4 h LEU 51 Ca 0.21 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.38 1tl4 h LEU 51 Cb 0.14 0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 1tl4 h LEU 51 CO -0.16 -0.47 -0.01 0.25 0.09 0.00 0.00 178.44 178.13 1tl4 h LEU 52 N -0.73 -0.32 -0.80 1.67 5.85 -0.28 0.39 115.31 121.09 1tl4 h LEU 52 Ca -0.05 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.93 1tl4 h LEU 52 Cb 0.61 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 1tl4 h LEU 52 CO -0.00 -0.14 0.44 0.00 -0.34 0.00 0.00 178.44 178.41 1tl4 h ALA 53 N 1.60 1.14 -0.11 1.25 0.00 -0.97 0.17 119.26 122.34 1tl4 h ALA 53 Ca 0.34 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1tl4 h ALA 53 Cb 0.55 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1tl4 h ALA 53 CO -0.57 0.04 -0.15 1.15 0.00 0.00 0.00 179.25 179.72 1tl4 h THR 54 N 0.73 1.37 -0.85 0.00 2.02 -0.37 -3.31 112.91 112.50 1tl4 h THR 54 Ca 0.39 -1.37 0.10 0.00 0.77 0.00 0.00 66.41 66.31 1tl4 h THR 54 Cb 0.40 2.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.74 1tl4 h THR 54 CO -0.27 0.39 0.49 -0.07 0.37 0.00 0.00 175.52 176.44 1tl4 h LEU 55 N -0.11 0.70 -1.70 2.58 3.38 0.56 0.13 115.31 120.85 1tl4 h LEU 55 Ca 0.01 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.23 1tl4 h LEU 55 Cb 0.71 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1tl4 h LEU 55 CO 0.04 0.39 0.73 0.11 0.09 0.00 0.00 178.44 179.80 1tl4 h LYS 56 N 0.81 0.00 0.00 1.13 6.56 -0.79 -0.66 116.57 123.63 1tl4 h LYS 56 Ca 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.00 1tl4 h LYS 56 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1tl4 h LYS 56 CO -0.25 0.00 0.00 0.87 -2.06 0.00 0.00 179.45 178.01 1tl4 h LYS 57 N 0.00 0.00 -0.97 3.15 1.57 -0.86 0.36 116.57 119.82 1tl4 h LYS 57 Ca 0.33 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.23 1tl4 h LYS 57 Cb 1.79 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 34.02 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 0.91 -4.55 -0.16 1.35 -1.29 -3.47 112.91 105.70 1tl4 h THR 58 Ca 0.00 -0.33 -0.28 0.00 -0.55 0.00 0.00 66.41 65.25 1tl4 h THR 58 Cb 0.11 -0.13 0.11 0.00 -1.73 0.00 0.00 68.15 66.51 1tl4 h THR 58 CO 0.00 0.17 -0.51 0.61 -0.25 0.00 0.00 175.52 175.55 1tl4 n GLY 59 N -1.34 -0.14 0.97 5.82 0.00 0.13 -5.03 105.19 105.59 1tl4 n GLY 59 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.68 1.21 -1.55 1.61 5.02 -1.26 -5.03 118.16 114.47 1tl4 n LYS 60 Ca -0.04 -0.99 -0.37 0.00 -2.02 0.00 0.00 58.31 54.89 1tl4 n LYS 60 Cb 0.56 0.41 -0.06 0.00 -0.02 0.00 0.00 35.03 35.92 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 -0.30 1.87 -3.65 -0.18 -1.04 -1.26 -4.86 114.28 104.86 1tl4 n THR 61 Ca -0.04 -1.78 -0.39 0.00 -2.04 0.00 0.00 64.05 59.81 1tl4 n THR 61 Cb 0.17 -2.25 -0.12 0.00 -1.82 0.00 0.00 70.33 66.32 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 7.58 4.68 0.18 12.58 0.11 -1.26 -1.00 120.40 143.27 1tl4 s VAL 62 Ca 0.62 -0.37 0.09 0.00 -2.93 0.00 0.00 61.98 59.40 1tl4 s VAL 62 Cb 0.08 -3.37 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 1tl4 s VAL 62 CO 0.13 0.08 -0.20 -0.55 -3.33 0.00 0.00 175.10 171.23 1tl4 s SER 63 N 1.63 2.92 -0.03 3.54 0.15 0.12 -4.97 113.70 117.07 1tl4 s SER 63 Ca 0.05 -0.88 -0.15 0.00 0.70 0.00 0.00 55.95 55.67 1tl4 s SER 63 Cb -0.17 -0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 63.90 1tl4 s SER 63 CO 0.07 0.01 0.41 -0.47 1.20 0.00 0.00 173.24 174.45 1tl4 s TYR 64 N -2.00 3.68 0.40 3.44 5.04 -1.26 -0.76 117.35 125.89 1tl4 s TYR 64 Ca 0.18 0.94 0.08 0.00 -2.44 0.00 0.00 57.07 55.83 1tl4 s TYR 64 Cb -0.06 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.89 1tl4 s TYR 64 CO 0.08 0.55 0.29 -0.51 -1.34 0.00 0.00 175.55 174.61 1tl4 s LEU 65 N -0.71 3.31 1.21 6.97 1.02 0.33 -4.88 118.68 125.93 1tl4 s LEU 65 Ca 0.23 -0.83 -0.15 0.00 0.02 0.00 0.00 54.13 53.40 1tl4 s LEU 65 Cb -0.16 -1.85 0.26 0.00 0.02 0.00 0.00 46.19 44.46 1tl4 s LEU 65 CO 0.12 -0.56 0.73 0.61 0.02 0.00 0.00 176.35 177.27 1tl4 n GLY 66 N -1.40 -2.42 3.71 -3.19 0.00 -1.26 -4.31 105.19 96.33 1tl4 n GLY 66 Ca 0.01 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -5.74 4.36 0.00 0.99 1.98 -1.26 -4.14 118.68 114.87 1tl4 s LEU 67 Ca 0.65 1.97 0.00 0.00 -2.89 0.00 0.00 54.13 53.85 1tl4 s LEU 67 Cb -0.21 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.07 1tl4 s LEU 67 CO 0.64 -0.46 0.03 1.21 -1.89 0.00 0.00 176.35 175.89