#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 3.39 -0.12 0.03 0.04 -1.26 -4.83 135.00 132.25 1tl4 s PRO 2 Ca 0.00 2.10 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 1tl4 s PRO 2 Cb 0.00 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1tl4 s PRO 2 CO 0.00 -0.95 0.05 0.21 0.04 0.00 0.00 177.00 176.34 1tl4 s LYS 3 N -2.79 3.33 -0.33 4.56 2.36 0.13 -3.37 119.74 123.63 1tl4 s LYS 3 Ca 0.68 -0.33 0.00 0.00 -2.55 0.00 0.00 55.97 53.77 1tl4 s LYS 3 Cb -0.37 -2.98 0.10 0.00 -1.05 0.00 0.00 37.83 33.53 1tl4 s LYS 3 CO 0.44 0.62 0.11 -1.01 1.55 0.00 0.00 175.35 177.06 1tl4 s HIS 4 N -0.62 2.00 -0.04 4.03 3.76 0.39 -1.07 115.29 123.75 1tl4 s HIS 4 Ca 0.11 -1.97 -0.16 0.00 -0.15 0.00 0.00 55.06 52.88 1tl4 s HIS 4 Cb -0.12 -1.89 -0.05 0.00 1.11 0.00 0.00 32.58 31.63 1tl4 s HIS 4 CO 0.02 -0.88 0.44 -2.00 -0.85 0.00 0.00 174.74 171.47 1tl4 s GLU 5 N 1.40 4.10 -0.13 1.40 2.12 -1.26 -0.89 118.70 125.43 1tl4 s GLU 5 Ca 0.11 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.90 1tl4 s GLU 5 Cb -0.18 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.92 1tl4 s GLU 5 CO -0.20 0.49 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.75 1tl4 s PHE 6 N -0.45 2.45 0.09 5.30 0.40 0.30 -0.64 117.98 125.42 1tl4 s PHE 6 Ca 0.24 -1.24 -0.23 0.00 -0.60 0.00 0.00 56.93 55.10 1tl4 s PHE 6 Cb -0.16 -1.70 -0.07 0.00 0.51 0.00 0.00 43.02 41.60 1tl4 s PHE 6 CO 0.12 -0.59 0.69 0.45 0.70 0.00 0.00 175.22 176.59 1tl4 s SER 7 N 0.94 7.21 0.24 1.36 0.15 0.14 -0.56 113.70 123.18 1tl4 s SER 7 Ca -0.05 1.43 0.02 0.00 0.70 0.00 0.00 55.95 58.05 1tl4 s SER 7 Cb -0.15 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1tl4 s SER 7 CO -0.03 0.17 0.18 -0.69 1.20 0.00 0.00 173.24 174.07 1tl4 s VAL 8 N -0.76 0.00 0.00 4.45 1.01 -0.11 -0.34 120.40 124.66 1tl4 s VAL 8 Ca 0.34 -2.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.14 1tl4 s VAL 8 Cb -0.21 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 1tl4 s VAL 8 CO 0.22 0.00 0.51 -0.62 0.00 0.00 0.00 175.10 175.21 1tl4 s ASP 9 N -3.23 6.91 -0.41 3.32 2.15 -1.25 -4.68 116.67 119.48 1tl4 s ASP 9 Ca 0.40 1.08 0.09 0.00 0.43 0.00 0.00 52.55 54.54 1tl4 s ASP 9 Cb 0.05 -2.32 0.30 0.00 -0.30 0.00 0.00 42.92 40.66 1tl4 s ASP 9 CO 0.17 0.21 0.76 0.23 -0.17 0.00 0.00 175.17 176.37 1tl4 n MET 10 N 2.29 0.88 0.21 4.34 2.81 -1.26 -4.73 117.12 121.65 1tl4 n MET 10 Ca -0.10 -2.85 0.14 0.00 -1.81 0.00 0.00 57.70 53.08 1tl4 n MET 10 Cb 0.51 -1.41 0.45 0.00 -0.71 0.00 0.00 33.22 32.06 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 1.92 0.00 -4.25 2.03 1.03 -1.95 -3.44 112.91 108.26 1tl4 h THR 11 Ca 0.02 -0.61 -0.15 0.00 -0.01 0.00 0.00 66.41 65.67 1tl4 h THR 11 Cb 0.97 1.56 -0.15 0.00 -1.07 0.00 0.00 68.15 69.47 1tl4 h THR 11 CO 0.40 0.00 -0.60 0.00 -0.01 0.00 0.00 175.52 175.31 1tl4 h GLY 13 N 2.91 1.33 -0.19 0.00 0.00 -2.00 -0.10 103.07 105.02 1tl4 h GLY 13 Ca -0.34 0.07 0.25 0.00 0.00 0.00 0.00 47.33 47.30 1tl4 h GLY 13 CO 0.60 -0.47 0.54 -1.33 0.00 0.00 0.00 176.54 175.88 1tl4 h GLY 14 N 0.08 1.84 0.90 4.60 0.00 -1.96 0.20 103.07 108.73 1tl4 h GLY 14 Ca 0.59 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 1tl4 h GLY 14 CO -0.80 -0.27 0.06 0.00 0.00 0.00 0.00 176.54 175.53 1tl4 h ALA 16 N 0.90 0.44 -0.09 0.00 0.00 -0.74 0.10 119.26 119.88 1tl4 h ALA 16 Ca 0.10 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1tl4 h ALA 16 Cb 0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1tl4 h ALA 16 CO 0.00 -0.06 -0.13 0.93 0.00 0.00 0.00 179.25 180.00 1tl4 h GLU 17 N 0.45 -0.17 0.05 0.00 5.08 -0.72 0.13 114.58 119.39 1tl4 h GLU 17 Ca 0.12 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1tl4 h GLU 17 Cb 0.01 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1tl4 h GLU 17 CO -0.02 -0.11 -0.16 0.00 -1.00 0.00 0.00 179.01 177.71 1tl4 h ALA 18 N 0.86 -0.23 -0.39 3.43 0.00 -0.53 0.35 119.26 122.74 1tl4 h ALA 18 Ca 0.07 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1tl4 h ALA 18 Cb 0.28 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1tl4 h ALA 18 CO -0.19 -0.67 -0.13 0.28 0.00 0.00 0.00 179.25 178.54 1tl4 h VAL 19 N -0.29 0.54 -0.14 0.00 2.07 -0.57 0.09 116.25 117.95 1tl4 h VAL 19 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1tl4 h VAL 19 Cb 0.33 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1tl4 h VAL 19 CO -0.12 0.00 -0.09 -1.28 0.02 0.00 0.00 177.57 176.10 1tl4 h SER 20 N -0.05 -0.28 -0.65 0.57 0.87 -0.18 0.11 113.55 113.95 1tl4 h SER 20 Ca 0.19 0.06 0.13 0.00 -1.23 0.00 0.00 61.79 60.94 1tl4 h SER 20 Cb 0.34 0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 62.35 1tl4 h SER 20 CO -0.43 -0.12 0.16 0.08 -0.53 0.00 0.00 176.83 176.00 1tl4 h ARG 21 N -0.08 0.28 -0.04 2.24 0.11 -0.40 0.49 114.38 116.97 1tl4 h ARG 21 Ca 0.08 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1tl4 h ARG 21 Cb 0.21 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.22 1tl4 h ARG 21 CO -0.19 0.19 0.03 0.28 0.10 0.00 0.00 179.97 180.37 1tl4 h VAL 22 N 0.29 1.02 -0.01 0.08 2.07 0.42 -1.05 116.25 119.07 1tl4 h VAL 22 Ca 0.35 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.70 1tl4 h VAL 22 Cb 0.53 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1tl4 h VAL 22 CO -0.42 0.02 -0.55 -0.07 0.02 0.00 0.00 177.57 176.56 1tl4 h LEU 23 N 0.05 0.03 -0.70 2.57 3.38 -0.32 -2.64 115.31 117.69 1tl4 h LEU 23 Ca 0.02 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1tl4 h LEU 23 Cb 0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1tl4 h LEU 23 CO -0.00 0.57 0.14 -1.13 0.09 0.00 0.00 178.44 178.11 1tl4 h ASN 24 N 0.02 1.09 -0.74 -0.43 -0.00 0.33 0.11 115.58 115.95 1tl4 h ASN 24 Ca -0.00 -0.25 0.11 0.00 -0.00 0.00 0.00 56.30 56.15 1tl4 h ASN 24 Cb 0.98 -0.29 -0.08 0.00 -0.00 0.00 0.00 38.32 38.94 1tl4 h ASN 24 CO 0.07 1.06 0.37 0.50 -0.00 0.00 0.00 177.43 179.43 1tl4 h LYS 25 N 1.07 0.58 0.22 6.67 3.64 -0.83 0.14 116.57 128.06 1tl4 h LYS 25 Ca 0.21 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1tl4 h LYS 25 Cb 0.42 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1tl4 h LYS 25 CO 0.01 0.39 -0.13 1.25 -2.27 0.00 0.00 179.45 178.69 1tl4 h LEU 26 N 0.60 -0.33 0.00 5.20 7.12 -1.37 -3.46 115.31 123.06 1tl4 h LEU 26 Ca 0.38 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.41 1tl4 h LEU 26 Cb 0.43 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1tl4 h LEU 26 CO -0.29 -0.22 0.00 0.61 -0.13 0.00 0.00 178.44 178.41 1tl4 n GLY 27 N -1.25 1.86 2.34 3.75 0.00 0.34 -4.77 105.19 107.46 1tl4 n GLY 27 Ca -0.09 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 2.64 3.08 -0.02 0.00 -1.26 -4.81 105.19 104.82 1tl4 n GLY 28 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 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 2.35 0.18 0.01 1.61 -7.23 -1.26 -4.76 120.40 111.29 1tl4 s VAL 29 Ca 0.42 -1.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 1tl4 s VAL 29 Cb 0.16 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.95 1tl4 s VAL 29 CO -0.01 -0.81 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.18 1tl4 s LYS 30 N -3.19 0.30 -0.12 4.82 2.47 -1.17 -5.05 119.74 117.81 1tl4 s LYS 30 Ca 0.00 -0.26 -0.25 0.00 -1.56 0.00 0.00 55.97 53.90 1tl4 s LYS 30 Cb 0.03 -0.21 0.06 0.00 -1.46 0.00 0.00 37.83 36.24 1tl4 s LYS 30 CO -0.07 0.05 0.60 1.52 0.16 0.00 0.00 175.35 177.61 1tl4 s TYR 31 N -0.42 -0.60 0.11 4.03 1.13 -1.26 -0.67 117.35 119.68 1tl4 s TYR 31 Ca -0.02 1.21 0.02 0.00 -1.41 0.00 0.00 57.07 56.87 1tl4 s TYR 31 Cb -0.03 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 41.08 1tl4 s TYR 31 CO -0.00 -0.47 0.20 0.34 -2.51 0.00 0.00 175.55 173.11 1tl4 s ASP 32 N -0.63 6.04 -0.31 -0.18 2.15 -0.02 -4.93 116.67 118.79 1tl4 s ASP 32 Ca -0.07 0.11 -0.01 0.00 0.43 0.00 0.00 52.55 53.00 1tl4 s ASP 32 Cb -0.02 -1.76 0.10 0.00 -0.30 0.00 0.00 42.92 40.94 1tl4 s ASP 32 CO 0.06 0.11 0.11 -0.63 -0.17 0.00 0.00 175.17 174.64 1tl4 s ILE 33 N -1.62 0.74 -0.32 4.11 1.01 -1.26 -0.64 121.20 123.22 1tl4 s ILE 33 Ca 0.33 -1.34 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 1tl4 s ILE 33 Cb -0.12 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1tl4 s ILE 33 CO 0.26 -0.70 0.32 -0.62 0.00 0.00 0.00 174.94 174.21 1tl4 s ASP 34 N 1.64 6.15 -0.05 3.58 -1.08 0.02 -4.98 116.67 121.95 1tl4 s ASP 34 Ca 0.10 -0.16 -0.06 0.00 -0.52 0.00 0.00 52.55 51.91 1tl4 s ASP 34 Cb -0.17 -2.18 -0.03 0.00 -1.46 0.00 0.00 42.92 39.07 1tl4 s ASP 34 CO -0.26 -0.27 0.29 -0.07 0.52 0.00 0.00 175.17 175.39 1tl4 h LEU 35 N 8.64 -0.18 -1.70 -1.34 3.38 -1.90 0.11 115.31 122.33 1tl4 h LEU 35 Ca -0.31 0.01 0.13 0.00 0.09 0.00 0.00 57.88 57.80 1tl4 h LEU 35 Cb 1.15 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1tl4 h LEU 35 CO 0.66 0.18 0.44 1.55 0.09 0.00 0.00 178.44 181.36 1tl4 h PRO 36 N -0.83 0.31 0.00 1.13 0.13 -1.94 0.13 132.00 130.93 1tl4 h PRO 36 Ca -0.02 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1tl4 h PRO 36 Cb 0.16 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1tl4 h PRO 36 CO 0.04 0.20 -1.03 0.09 -0.23 0.00 0.00 178.00 177.07 1tl4 n ASN 37 N -4.45 0.82 -2.89 1.44 3.02 -1.26 -5.03 115.26 106.91 1tl4 n ASN 37 Ca 0.12 0.31 -0.01 0.00 -0.03 0.00 0.00 54.58 54.96 1tl4 n ASN 37 Cb 0.49 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 40.16 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 -2.65 -1.40 -4.00 3.52 4.01 0.47 -4.82 118.16 113.29 1tl4 n LYS 38 Ca -0.00 1.53 -0.09 0.00 -0.51 0.00 0.00 58.31 59.24 1tl4 n LYS 38 Cb 0.55 -5.39 -0.10 0.00 -0.51 0.00 0.00 35.03 29.58 1tl4 n LYS 38 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1tl4 s LYS 39 N -2.90 0.47 -0.22 1.97 1.02 0.32 -0.93 119.74 119.47 1tl4 s LYS 39 Ca 0.04 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1tl4 s LYS 39 Cb -0.01 0.17 0.05 0.00 -0.52 0.00 0.00 37.83 37.52 1tl4 s LYS 39 CO 0.69 -0.09 -0.06 0.08 -0.92 0.00 0.00 175.35 175.05 1tl4 s VAL 40 N -2.46 1.47 -0.74 3.17 1.01 0.27 -0.80 120.40 122.33 1tl4 s VAL 40 Ca -0.07 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.68 1tl4 s VAL 40 Cb -0.03 -1.69 0.17 0.00 0.00 0.00 0.00 36.38 34.84 1tl4 s VAL 40 CO -0.04 -0.02 0.73 0.00 0.00 0.00 0.00 175.10 175.77 1tl4 s ILE 42 N 1.13 4.08 -0.13 0.00 1.01 -0.07 -0.84 121.20 126.39 1tl4 s ILE 42 Ca 0.15 1.91 -0.03 0.00 0.00 0.00 0.00 60.65 62.69 1tl4 s ILE 42 Cb -0.16 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.20 1tl4 s ILE 42 CO -0.04 0.32 0.04 -0.70 0.00 0.00 0.00 174.94 174.56 1tl4 s GLU 43 N -1.62 0.45 0.16 2.79 2.12 0.15 -0.46 118.70 122.29 1tl4 s GLU 43 Ca 0.46 -0.07 -0.19 0.00 0.36 0.00 0.00 54.97 55.52 1tl4 s GLU 43 Cb -0.23 -1.46 0.05 0.00 0.26 0.00 0.00 34.13 32.75 1tl4 s GLU 43 CO 0.29 -0.49 0.52 0.45 -0.54 0.00 0.00 175.26 175.49 1tl4 s SER 44 N 1.99 -0.38 -1.05 -1.70 0.15 -1.22 -3.04 113.70 108.45 1tl4 s SER 44 Ca 0.02 -0.24 -0.07 0.00 0.70 0.00 0.00 55.95 56.37 1tl4 s SER 44 Cb -0.14 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1tl4 s SER 44 CO -0.07 -0.96 2.90 1.21 1.20 0.00 0.00 173.24 177.52 1tl4 n GLU 45 N -0.32 3.46 -3.74 5.44 2.13 -1.26 -4.26 120.64 122.09 1tl4 n GLU 45 Ca -0.15 -2.37 -0.12 0.00 0.66 0.00 0.00 57.16 55.18 1tl4 n GLU 45 Cb 0.64 -2.50 -0.11 0.00 0.27 0.00 0.00 31.44 29.74 1tl4 n GLU 45 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1tl4 s HIS 46 N 0.39 -0.41 0.46 4.31 2.46 -1.26 -5.12 115.29 116.12 1tl4 s HIS 46 Ca 0.63 0.96 -0.24 0.00 0.47 0.00 0.00 55.06 56.88 1tl4 s HIS 46 Cb 0.24 0.14 -0.07 0.00 -0.13 0.00 0.00 32.58 32.76 1tl4 s HIS 46 CO -0.08 -0.22 1.25 0.45 -2.47 0.00 0.00 174.74 173.67 1tl4 s SER 47 N 0.65 5.99 0.43 9.88 0.15 -1.26 -4.89 113.70 124.63 1tl4 s SER 47 Ca -0.04 2.53 0.25 0.00 0.70 0.00 0.00 55.95 59.38 1tl4 s SER 47 Cb -0.05 -2.62 1.27 0.00 -1.71 0.00 0.00 66.02 62.91 1tl4 s SER 47 CO -0.04 -1.06 1.71 0.00 1.20 0.00 0.00 173.24 175.05 1tl4 h MET 48 N 2.10 0.23 -0.30 5.44 -0.00 -1.98 -2.08 114.93 118.34 1tl4 h MET 48 Ca -0.50 -0.01 0.04 0.00 -0.00 0.00 0.00 59.70 59.23 1tl4 h MET 48 Cb 1.26 -0.05 -0.07 0.00 -0.00 0.00 0.00 31.60 32.74 1tl4 h MET 48 CO 0.60 0.15 -0.48 0.22 -0.00 0.00 0.00 176.91 177.40 1tl4 h ASP 49 N 0.24 -1.60 -0.19 -0.10 3.58 -1.99 0.25 116.42 116.61 1tl4 h ASP 49 Ca 0.69 0.20 -0.21 0.00 0.42 0.00 0.00 57.03 58.13 1tl4 h ASP 49 Cb 2.01 0.65 0.01 0.00 1.72 0.00 0.00 39.33 43.72 1tl4 h ASP 49 CO -0.33 -0.37 -0.70 0.74 -2.88 0.00 0.00 179.24 175.71 1tl4 h THR 50 N -0.39 1.28 0.20 2.25 2.02 -1.76 0.07 112.91 116.57 1tl4 h THR 50 Ca 0.05 -1.89 0.01 0.00 0.77 0.00 0.00 66.41 65.36 1tl4 h THR 50 Cb 0.54 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 1tl4 h THR 50 CO -0.48 0.60 -0.39 -0.07 0.37 0.00 0.00 175.52 175.55 1tl4 h LEU 51 N 0.59 -1.11 -0.54 2.58 -0.00 -1.43 -0.74 115.31 114.67 1tl4 h LEU 51 Ca -0.03 0.12 0.05 0.00 -0.00 0.00 0.00 57.88 58.02 1tl4 h LEU 51 Cb 1.32 0.40 -0.07 0.00 -0.00 0.00 0.00 40.66 42.31 1tl4 h LEU 51 CO 0.15 -0.48 -0.40 -0.07 -0.00 0.00 0.00 178.44 177.63 1tl4 h LEU 52 N -0.67 -1.42 -1.65 1.67 3.38 -0.15 0.37 115.31 116.84 1tl4 h LEU 52 Ca 0.01 0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.31 1tl4 h LEU 52 Cb 0.67 0.61 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 1tl4 h LEU 52 CO -0.18 -0.20 0.45 0.00 0.09 0.00 0.00 178.44 178.60 1tl4 h ALA 53 N -0.14 2.11 0.26 1.53 0.00 -0.62 0.19 119.26 122.59 1tl4 h ALA 53 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1tl4 h ALA 53 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1tl4 h ALA 53 CO -0.56 -0.28 -0.13 1.15 0.00 0.00 0.00 179.25 179.43 1tl4 h THR 54 N 0.37 0.64 -0.44 0.00 2.02 -0.19 -3.36 112.91 111.95 1tl4 h THR 54 Ca 0.32 -0.85 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 1tl4 h THR 54 Cb 0.73 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1tl4 h THR 54 CO -0.09 0.15 -0.06 -0.07 0.37 0.00 0.00 175.52 175.82 1tl4 h LEU 55 N -0.88 0.73 -1.47 2.58 3.38 0.11 -1.17 115.31 118.59 1tl4 h LEU 55 Ca -0.04 -0.19 0.28 0.00 0.09 0.00 0.00 57.88 58.03 1tl4 h LEU 55 Cb 0.51 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 1tl4 h LEU 55 CO 0.06 0.83 0.70 0.50 0.09 0.00 0.00 178.44 180.62 1tl4 h LYS 56 N 0.69 0.31 0.00 1.13 3.64 -0.86 -1.11 116.57 120.36 1tl4 h LYS 56 Ca 0.13 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1tl4 h LYS 56 Cb 0.51 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1tl4 h LYS 56 CO 0.03 0.20 -0.00 0.87 -2.27 0.00 0.00 179.45 178.28 1tl4 h LYS 57 N 0.32 0.00 0.00 1.90 1.57 -1.35 0.15 116.57 119.16 1tl4 h LYS 57 Ca 0.60 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.32 1tl4 h LYS 57 Cb 1.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1tl4 h LYS 57 CO -0.26 0.00 -0.25 1.79 -0.57 0.00 0.00 179.45 180.16 1tl4 h THR 58 N 0.00 1.15 -4.70 -0.16 1.35 -1.37 -3.47 112.91 105.72 1tl4 h THR 58 Ca -0.00 -0.88 -0.36 0.00 -0.55 0.00 0.00 66.41 64.62 1tl4 h THR 58 Cb 0.13 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 1tl4 h THR 58 CO 0.00 0.25 -0.52 0.61 -0.25 0.00 0.00 175.52 175.61 1tl4 n GLY 59 N -0.77 -0.50 0.70 5.82 0.00 0.51 -5.00 105.19 105.95 1tl4 n GLY 59 Ca -0.02 0.08 -0.05 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 -3.60 -0.58 -0.85 1.61 4.76 -1.26 -4.89 118.16 113.35 1tl4 n LYS 60 Ca -0.08 -0.36 -0.22 0.00 -2.87 0.00 0.00 58.31 54.77 1tl4 n LYS 60 Cb 0.59 -0.27 -0.05 0.00 -1.84 0.00 0.00 35.03 33.46 1tl4 n LYS 60 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1tl4 n THR 61 N -2.52 2.74 -2.64 -0.18 -1.04 -1.26 -4.87 114.28 104.51 1tl4 n THR 61 Ca 0.03 -1.58 -0.42 0.00 -2.04 0.00 0.00 64.05 60.04 1tl4 n THR 61 Cb 0.11 -2.16 -0.03 0.00 -1.82 0.00 0.00 70.33 66.43 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 2.65 3.93 -0.37 12.58 0.11 -1.26 -3.77 120.40 134.27 1tl4 s VAL 62 Ca 0.48 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 59.42 1tl4 s VAL 62 Cb 0.15 -4.87 0.01 0.00 -1.53 0.00 0.00 36.38 30.14 1tl4 s VAL 62 CO -0.03 -1.75 0.25 -0.94 -3.33 0.00 0.00 175.10 169.29 1tl4 s SER 63 N 3.84 5.95 0.09 3.54 1.04 0.54 -4.98 113.70 123.72 1tl4 s SER 63 Ca 0.33 -0.75 -0.30 0.00 0.48 0.00 0.00 55.95 55.70 1tl4 s SER 63 Cb -0.09 -2.10 -0.05 0.00 0.10 0.00 0.00 66.02 63.87 1tl4 s SER 63 CO 0.10 -0.35 1.02 -0.47 0.98 0.00 0.00 173.24 174.53 1tl4 s TYR 64 N 1.65 3.69 0.71 5.02 5.04 -1.26 -0.69 117.35 131.51 1tl4 s TYR 64 Ca 0.05 1.67 -0.07 0.00 -2.44 0.00 0.00 57.07 56.28 1tl4 s TYR 64 Cb -0.18 -3.16 0.15 0.00 0.35 0.00 0.00 41.96 39.12 1tl4 s TYR 64 CO 0.09 -0.20 0.97 1.28 -1.34 0.00 0.00 175.55 176.35 1tl4 n LEU 65 N 3.11 0.00 0.00 6.97 4.32 0.18 -4.95 117.00 126.64 1tl4 n LEU 65 Ca 0.04 -1.49 -0.24 0.00 -0.02 0.00 0.00 56.01 54.29 1tl4 n LEU 65 Cb 0.49 -0.69 0.23 0.00 -1.62 0.00 0.00 43.42 41.83 1tl4 n LEU 65 CO 0.52 -1.10 0.32 0.61 -1.22 0.00 0.00 177.39 176.53 1tl4 n GLY 66 N -1.82 -3.70 3.70 -0.72 0.00 -1.26 -4.76 105.19 96.62 1tl4 n GLY 66 Ca 0.14 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 4.29 0.00 0.99 2.96 -1.26 -4.41 118.68 121.25 1tl4 s LEU 67 Ca 0.55 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 1tl4 s LEU 67 Cb -0.09 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1tl4 s LEU 67 CO 0.45 -0.40 0.20 -0.62 -1.32 0.00 0.00 176.35 174.66