#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl4 h PRO 2 N 0.00 -0.23 -4.77 0.03 0.11 -1.75 -3.13 132.00 122.26 1tl4 h PRO 2 Ca 0.00 0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.82 1tl4 h PRO 2 Cb 0.00 0.05 -0.21 0.00 0.11 0.00 0.00 31.00 30.95 1tl4 h PRO 2 CO 0.00 -0.15 -0.74 -1.59 -0.21 0.00 0.00 178.00 175.31 1tl4 s LYS 3 N -5.16 0.62 -0.00 1.05 -2.85 0.83 0.22 119.74 114.45 1tl4 s LYS 3 Ca -0.11 -0.84 0.01 0.00 -1.00 0.00 0.00 55.97 54.02 1tl4 s LYS 3 Cb 0.08 -0.43 -0.00 0.00 -2.06 0.00 0.00 37.83 35.42 1tl4 s LYS 3 CO 0.51 0.08 -0.02 -3.38 0.10 0.00 0.00 175.35 172.64 1tl4 s HIS 4 N -1.48 0.21 0.07 1.78 -3.43 -0.89 -0.84 115.29 110.71 1tl4 s HIS 4 Ca -0.07 -0.04 0.06 0.00 -0.80 0.00 0.00 55.06 54.22 1tl4 s HIS 4 Cb -0.09 -0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 30.88 1tl4 s HIS 4 CO 0.01 -0.01 -0.09 -1.21 -2.00 0.00 0.00 174.74 171.44 1tl4 s GLU 5 N -0.00 2.28 -0.18 -0.38 8.01 -0.89 -0.39 118.70 127.15 1tl4 s GLU 5 Ca 0.00 -0.92 -0.05 0.00 0.01 0.00 0.00 54.97 54.01 1tl4 s GLU 5 Cb -0.01 -2.38 0.09 0.00 -4.31 0.00 0.00 34.13 27.52 1tl4 s GLU 5 CO -0.00 0.54 0.35 -0.06 0.01 0.00 0.00 175.26 176.09 1tl4 s PHE 6 N -1.15 -0.64 0.22 1.61 0.40 0.29 -0.24 117.98 118.47 1tl4 s PHE 6 Ca 0.20 1.17 -0.22 0.00 -0.60 0.00 0.00 56.93 57.48 1tl4 s PHE 6 Cb -0.11 0.11 -0.08 0.00 0.51 0.00 0.00 43.02 43.44 1tl4 s PHE 6 CO 0.12 -0.48 0.76 0.45 0.70 0.00 0.00 175.22 176.78 1tl4 s SER 7 N 2.52 7.16 0.30 1.36 0.15 -1.26 -0.30 113.70 123.63 1tl4 s SER 7 Ca 0.02 1.52 0.03 0.00 0.70 0.00 0.00 55.95 58.22 1tl4 s SER 7 Cb -0.13 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1tl4 s SER 7 CO -0.12 0.06 0.17 -0.69 1.20 0.00 0.00 173.24 173.86 1tl4 s VAL 8 N -1.45 0.26 -0.31 4.45 1.01 -0.01 -0.68 120.40 123.67 1tl4 s VAL 8 Ca 0.42 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.35 1tl4 s VAL 8 Cb -0.18 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.72 1tl4 s VAL 8 CO 0.22 0.00 0.07 -0.62 0.00 0.00 0.00 175.10 174.77 1tl4 s ASP 9 N -3.35 5.12 -0.60 3.32 2.15 -1.25 -4.52 116.67 117.54 1tl4 s ASP 9 Ca 0.36 -1.01 0.06 0.00 0.43 0.00 0.00 52.55 52.39 1tl4 s ASP 9 Cb 0.05 -1.83 0.30 0.00 -0.30 0.00 0.00 42.92 41.13 1tl4 s ASP 9 CO 0.18 -0.26 0.85 0.23 -0.17 0.00 0.00 175.17 175.99 1tl4 n MET 10 N 4.79 2.83 0.00 4.34 2.81 -1.26 -4.57 117.12 126.07 1tl4 n MET 10 Ca -0.13 -4.72 0.10 0.00 -1.81 0.00 0.00 57.70 51.14 1tl4 n MET 10 Cb 0.46 -2.21 0.46 0.00 -0.71 0.00 0.00 33.22 31.21 1tl4 n MET 10 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1tl4 n THR 11 N 0.27 0.54 -4.51 2.03 -1.04 -1.26 -4.42 114.28 105.89 1tl4 n THR 11 Ca 0.30 0.13 -0.21 0.00 -2.04 0.00 0.00 64.05 62.24 1tl4 n THR 11 Cb 0.41 -0.78 -0.15 0.00 -1.82 0.00 0.00 70.33 67.98 1tl4 n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tl4 h GLY 13 N 6.01 1.48 0.94 0.00 0.00 -2.00 -1.19 103.07 108.30 1tl4 h GLY 13 Ca -0.33 -0.25 0.13 0.00 0.00 0.00 0.00 47.33 46.88 1tl4 h GLY 13 CO 0.49 -0.16 0.40 -1.33 0.00 0.00 0.00 176.54 175.94 1tl4 h GLY 14 N 0.49 0.00 1.05 4.60 0.00 -1.97 0.21 103.07 107.45 1tl4 h GLY 14 Ca 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.92 1tl4 h GLY 14 CO -0.36 0.00 0.48 0.00 0.00 0.00 0.00 176.54 176.66 1tl4 h ALA 16 N 1.28 0.58 -0.12 0.00 0.00 -0.76 0.10 119.26 120.34 1tl4 h ALA 16 Ca 0.31 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1tl4 h ALA 16 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1tl4 h ALA 16 CO -0.05 0.11 -0.11 0.93 0.00 0.00 0.00 179.25 180.14 1tl4 h GLU 17 N 0.59 -0.12 0.05 0.00 5.08 -1.30 0.83 114.58 119.71 1tl4 h GLU 17 Ca 0.16 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1tl4 h GLU 17 Cb 0.06 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1tl4 h GLU 17 CO -0.02 -0.08 -0.24 0.00 -1.00 0.00 0.00 179.01 177.67 1tl4 h ALA 18 N 0.96 -0.35 -0.19 3.43 0.00 -0.39 0.78 119.26 123.50 1tl4 h ALA 18 Ca 0.08 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1tl4 h ALA 18 Cb 0.25 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1tl4 h ALA 18 CO -0.20 -0.75 -0.18 0.28 0.00 0.00 0.00 179.25 178.41 1tl4 h VAL 19 N -0.40 0.53 -0.46 0.00 2.07 -0.63 0.12 116.25 117.49 1tl4 h VAL 19 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1tl4 h VAL 19 Cb 0.45 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1tl4 h VAL 19 CO -0.18 0.00 0.12 -1.28 0.02 0.00 0.00 177.57 176.26 1tl4 h SER 20 N -0.19 0.08 -0.24 0.57 0.87 -0.34 0.11 113.55 114.41 1tl4 h SER 20 Ca 0.12 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 1tl4 h SER 20 Cb 0.37 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 1tl4 h SER 20 CO -0.30 0.08 -0.07 -0.09 -0.53 0.00 0.00 176.83 175.91 1tl4 h ARG 21 N 0.27 -0.02 -0.11 2.24 2.43 -0.34 0.30 114.38 119.15 1tl4 h ARG 21 Ca 0.22 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1tl4 h ARG 21 Cb 0.26 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1tl4 h ARG 21 CO -0.26 -0.02 -0.02 -0.24 -1.51 0.00 0.00 179.97 177.93 1tl4 h VAL 22 N -0.02 0.90 -0.12 0.20 3.04 0.82 -0.21 116.25 120.86 1tl4 h VAL 22 Ca 0.12 -0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.58 1tl4 h VAL 22 Cb 0.20 0.89 0.01 0.00 -2.01 0.00 0.00 31.29 30.38 1tl4 h VAL 22 CO -0.26 0.00 -0.79 -0.07 -1.01 0.00 0.00 177.57 175.44 1tl4 h LEU 23 N 0.01 0.91 -1.06 3.16 3.38 -0.75 -2.53 115.31 118.42 1tl4 h LEU 23 Ca 0.05 -0.65 0.07 0.00 0.09 0.00 0.00 57.88 57.45 1tl4 h LEU 23 Cb 0.08 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 1tl4 h LEU 23 CO -0.11 1.42 0.63 -1.13 0.09 0.00 0.00 178.44 179.34 1tl4 h ASN 24 N 0.46 0.98 -0.61 -0.43 -0.00 -0.23 0.75 115.58 116.51 1tl4 h ASN 24 Ca -0.07 0.01 0.12 0.00 -0.00 0.00 0.00 56.30 56.37 1tl4 h ASN 24 Cb 1.43 -0.19 -0.04 0.00 -0.00 0.00 0.00 38.32 39.52 1tl4 h ASN 24 CO 0.16 0.61 0.41 0.50 -0.00 0.00 0.00 177.43 179.12 1tl4 h LYS 25 N 1.10 0.29 0.11 6.67 3.64 -0.62 0.15 116.57 127.92 1tl4 h LYS 25 Ca 0.43 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1tl4 h LYS 25 Cb 0.23 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1tl4 h LYS 25 CO -0.18 0.19 -0.29 1.25 -2.27 0.00 0.00 179.45 178.16 1tl4 h LEU 26 N 0.30 -0.83 0.00 5.20 7.12 -0.56 -3.49 115.31 123.05 1tl4 h LEU 26 Ca 0.29 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.40 1tl4 h LEU 26 Cb 0.72 0.32 0.00 0.00 -0.53 0.00 0.00 40.66 41.17 1tl4 h LEU 26 CO -0.07 -0.38 0.00 0.61 -0.13 0.00 0.00 178.44 178.48 1tl4 n GLY 27 N -1.40 -1.11 1.78 3.75 0.00 0.54 -4.94 105.19 103.81 1tl4 n GLY 27 Ca -0.06 0.40 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 6.11 3.77 -0.02 0.00 -1.26 -4.54 105.19 109.25 1tl4 n GLY 28 Ca 0.00 -2.41 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 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 -4.34 2.33 -0.82 1.61 -7.23 -1.26 -4.98 120.40 105.71 1tl4 s VAL 29 Ca 0.48 0.32 -0.13 0.00 -1.81 0.00 0.00 61.98 60.84 1tl4 s VAL 29 Cb 0.40 -3.20 0.22 0.00 0.56 0.00 0.00 36.38 34.36 1tl4 s VAL 29 CO 0.02 0.07 0.75 -0.75 -0.31 0.00 0.00 175.10 174.88 1tl4 s LYS 30 N -1.69 3.54 -0.27 4.82 2.47 -1.25 -4.91 119.74 122.45 1tl4 s LYS 30 Ca 0.53 -2.50 -0.18 0.00 -1.56 0.00 0.00 55.97 52.26 1tl4 s LYS 30 Cb -0.44 -4.37 -0.02 0.00 -1.46 0.00 0.00 37.83 31.53 1tl4 s LYS 30 CO 0.57 -1.28 0.52 1.52 0.16 0.00 0.00 175.35 176.84 1tl4 s TYR 31 N 0.08 3.26 -0.17 4.03 1.13 -1.26 -1.65 117.35 122.77 1tl4 s TYR 31 Ca 0.18 0.60 -0.07 0.00 -1.41 0.00 0.00 57.07 56.38 1tl4 s TYR 31 Cb -0.11 -2.75 -0.04 0.00 -1.10 0.00 0.00 41.96 37.96 1tl4 s TYR 31 CO -0.09 -0.31 0.05 0.34 -2.51 0.00 0.00 175.55 173.04 1tl4 s ASP 32 N 1.57 5.58 -0.20 -0.18 2.15 0.81 -4.96 116.67 121.44 1tl4 s ASP 32 Ca 0.21 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1tl4 s ASP 32 Cb -0.16 -1.91 0.05 0.00 -0.30 0.00 0.00 42.92 40.60 1tl4 s ASP 32 CO 0.10 0.21 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.61 1tl4 s ILE 33 N 0.16 1.36 -0.40 4.11 1.01 -1.26 -1.07 121.20 125.10 1tl4 s ILE 33 Ca 0.04 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 1tl4 s ILE 33 Cb -0.12 -1.55 0.05 0.00 0.01 0.00 0.00 42.46 40.84 1tl4 s ILE 33 CO 0.01 0.05 0.26 -0.62 0.00 0.00 0.00 174.94 174.64 1tl4 s ASP 34 N 1.50 5.80 -0.09 3.58 -1.08 0.37 -4.99 116.67 121.78 1tl4 s ASP 34 Ca -0.02 -1.18 -0.24 0.00 -0.52 0.00 0.00 52.55 50.59 1tl4 s ASP 34 Cb -0.17 -2.05 -0.20 0.00 -1.46 0.00 0.00 42.92 39.04 1tl4 s ASP 34 CO -0.07 -0.47 0.86 0.25 0.52 0.00 0.00 175.17 176.25 1tl4 h LEU 35 N 8.49 -0.05 -1.50 -1.34 6.46 -1.95 0.30 115.31 125.73 1tl4 h LEU 35 Ca -0.25 -0.63 0.07 0.00 -0.12 0.00 0.00 57.88 56.95 1tl4 h LEU 35 Cb 1.10 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.00 1tl4 h LEU 35 CO 0.73 0.67 0.42 1.55 -0.62 0.00 0.00 178.44 181.20 1tl4 h PRO 36 N -0.84 0.58 0.00 5.25 0.13 -1.94 -0.95 132.00 134.23 1tl4 h PRO 36 Ca -0.01 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.92 1tl4 h PRO 36 Cb 0.68 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 1tl4 h PRO 36 CO 0.01 0.39 -1.17 -0.91 -0.23 0.00 0.00 178.00 176.08 1tl4 h ASN 37 N 0.60 0.00 -3.80 1.44 2.35 -1.99 -3.50 115.58 110.69 1tl4 h ASN 37 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1tl4 h ASN 37 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1tl4 h ASN 37 CO -0.09 0.67 -0.06 0.29 -1.65 0.00 0.00 177.43 176.59 1tl4 n LYS 38 N -3.05 -0.58 -3.59 0.81 4.01 -0.06 -4.90 118.16 110.80 1tl4 n LYS 38 Ca -0.07 0.92 -0.16 0.00 -0.51 0.00 0.00 58.31 58.49 1tl4 n LYS 38 Cb 0.85 -2.94 -0.07 0.00 -0.51 0.00 0.00 35.03 32.36 1tl4 n LYS 38 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1tl4 s LYS 39 N -2.47 0.93 -0.00 1.97 2.36 0.86 -0.83 119.74 122.55 1tl4 s LYS 39 Ca 0.03 0.21 0.05 0.00 -2.55 0.00 0.00 55.97 53.71 1tl4 s LYS 39 Cb -0.01 0.43 -0.01 0.00 -1.05 0.00 0.00 37.83 37.19 1tl4 s LYS 39 CO 0.26 -0.27 -0.15 0.08 1.55 0.00 0.00 175.35 176.82 1tl4 s VAL 40 N -1.07 1.17 0.16 4.02 1.01 0.59 -0.48 120.40 125.81 1tl4 s VAL 40 Ca -0.10 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.28 1tl4 s VAL 40 Cb -0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1tl4 s VAL 40 CO 0.08 0.28 -0.22 0.00 0.00 0.00 0.00 175.10 175.24 1tl4 s ILE 42 N -1.58 1.22 -1.03 0.00 1.01 0.48 -0.13 121.20 121.17 1tl4 s ILE 42 Ca 0.16 -2.33 -0.23 0.00 0.00 0.00 0.00 60.65 58.25 1tl4 s ILE 42 Cb -0.08 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.57 1tl4 s ILE 42 CO 0.07 -0.88 1.52 -1.61 0.00 0.00 0.00 174.94 174.04 1tl4 s GLU 43 N 0.58 3.51 -0.25 2.79 8.01 -0.66 -2.09 118.70 130.59 1tl4 s GLU 43 Ca 0.17 -1.09 -0.08 0.00 0.01 0.00 0.00 54.97 53.97 1tl4 s GLU 43 Cb -0.24 -5.34 0.11 0.00 -4.31 0.00 0.00 34.13 24.35 1tl4 s GLU 43 CO -0.02 -2.33 0.54 -1.12 0.01 0.00 0.00 175.26 172.33 1tl4 s SER 44 N 5.23 -0.71 -0.83 -0.19 0.01 0.13 -3.94 113.70 113.41 1tl4 s SER 44 Ca 0.49 1.29 -0.25 0.00 1.31 0.00 0.00 55.95 58.79 1tl4 s SER 44 Cb -0.00 1.83 -0.20 0.00 0.21 0.00 0.00 66.02 67.86 1tl4 s SER 44 CO -0.08 -0.23 1.91 -1.84 0.41 0.00 0.00 173.24 173.41 1tl4 n GLU 45 N 5.42 0.87 -4.11 12.44 0.28 -1.20 -4.45 120.64 129.89 1tl4 n GLU 45 Ca -0.10 -1.84 -0.11 0.00 -0.16 0.00 0.00 57.16 54.95 1tl4 n GLU 45 Cb 0.49 -3.36 -0.08 0.00 1.43 0.00 0.00 31.44 29.93 1tl4 n GLU 45 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1tl4 s HIS 46 N 10.53 0.79 0.07 -1.84 2.46 -1.18 -4.87 115.29 121.24 1tl4 s HIS 46 Ca 0.69 -1.07 -0.28 0.00 0.47 0.00 0.00 55.06 54.88 1tl4 s HIS 46 Cb 0.05 -0.21 -0.05 0.00 -0.13 0.00 0.00 32.58 32.24 1tl4 s HIS 46 CO 0.19 -0.81 0.87 0.45 -2.47 0.00 0.00 174.74 172.97 1tl4 s SER 47 N -3.09 7.34 0.19 9.88 0.15 -1.26 0.84 113.70 127.74 1tl4 s SER 47 Ca 0.31 1.61 -0.05 0.00 0.70 0.00 0.00 55.95 58.52 1tl4 s SER 47 Cb 0.03 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 61.92 1tl4 s SER 47 CO 0.11 -0.05 1.53 0.00 1.20 0.00 0.00 173.24 176.02 1tl4 h MET 48 N 5.78 0.68 -0.47 5.44 -0.00 -1.96 -3.05 114.93 121.34 1tl4 h MET 48 Ca -0.43 -0.38 0.06 0.00 -0.00 0.00 0.00 59.70 58.95 1tl4 h MET 48 Cb 1.21 0.02 -0.05 0.00 -0.00 0.00 0.00 31.60 32.78 1tl4 h MET 48 CO 0.72 0.99 0.19 0.38 -0.00 0.00 0.00 176.91 179.19 1tl4 h ASP 49 N 0.55 0.22 -0.25 -0.10 2.03 -1.98 0.21 116.42 117.09 1tl4 h ASP 49 Ca 0.03 0.05 -0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1tl4 h ASP 49 Cb 0.99 0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.50 1tl4 h ASP 49 CO 0.09 0.16 0.14 0.74 -1.03 0.00 0.00 179.24 179.35 1tl4 h THR 50 N 0.38 1.11 0.26 1.15 2.02 -1.97 -0.14 112.91 115.71 1tl4 h THR 50 Ca 0.22 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1tl4 h THR 50 Cb 0.20 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1tl4 h THR 50 CO -0.21 0.10 -0.13 -0.07 0.37 0.00 0.00 175.52 175.59 1tl4 h LEU 51 N 0.30 -0.30 -0.43 2.58 3.38 -1.34 -2.56 115.31 116.94 1tl4 h LEU 51 Ca 0.09 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1tl4 h LEU 51 Cb 0.04 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1tl4 h LEU 51 CO -0.02 -0.10 -0.47 -0.07 0.09 0.00 0.00 178.44 177.87 1tl4 h LEU 52 N -0.48 -1.62 -0.42 1.67 4.07 0.00 0.36 115.31 118.90 1tl4 h LEU 52 Ca -0.04 0.22 0.09 0.00 0.08 0.00 0.00 57.88 58.23 1tl4 h LEU 52 Cb 0.36 0.67 -0.09 0.00 1.08 0.00 0.00 40.66 42.68 1tl4 h LEU 52 CO 0.06 -0.31 -0.17 0.00 -1.08 0.00 0.00 178.44 176.93 1tl4 h ALA 53 N -0.16 0.16 -0.85 1.53 0.00 -1.07 0.24 119.26 119.10 1tl4 h ALA 53 Ca 0.07 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1tl4 h ALA 53 Cb 0.47 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1tl4 h ALA 53 CO -0.55 -0.53 0.45 1.15 0.00 0.00 0.00 179.25 179.77 1tl4 h THR 54 N -0.09 1.25 -0.00 0.00 2.02 -0.73 -0.95 112.91 114.41 1tl4 h THR 54 Ca 0.21 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 1tl4 h THR 54 Cb 0.40 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1tl4 h THR 54 CO -0.48 0.29 -0.13 -0.07 0.37 0.00 0.00 175.52 175.49 1tl4 h LEU 55 N 1.19 0.12 -0.98 2.58 3.38 0.41 -3.14 115.31 118.87 1tl4 h LEU 55 Ca 0.30 -0.78 0.25 0.00 0.09 0.00 0.00 57.88 57.74 1tl4 h LEU 55 Cb 0.05 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 40.63 1tl4 h LEU 55 CO -0.05 0.88 0.56 0.11 0.09 0.00 0.00 178.44 180.03 1tl4 h LYS 56 N -0.63 0.50 0.00 1.13 6.56 -0.46 -0.10 116.57 123.57 1tl4 h LYS 56 Ca -0.02 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1tl4 h LYS 56 Cb 0.90 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1tl4 h LYS 56 CO 0.03 0.33 0.08 1.63 -2.06 0.00 0.00 179.45 179.46 1tl4 n LYS 57 N -4.94 0.08 -0.24 3.15 5.02 -0.37 0.14 118.16 121.00 1tl4 n LYS 57 Ca 0.27 0.56 -0.05 0.00 -2.02 0.00 0.00 58.31 57.06 1tl4 n LYS 57 Cb 0.76 -1.86 0.09 0.00 -0.02 0.00 0.00 35.03 34.01 1tl4 n LYS 57 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1tl4 h THR 58 N 0.00 1.25 -5.16 -0.18 1.35 -1.13 -3.47 112.91 105.56 1tl4 h THR 58 Ca 0.00 -0.87 -0.30 0.00 -0.55 0.00 0.00 66.41 64.69 1tl4 h THR 58 Cb 0.17 0.46 0.14 0.00 -1.73 0.00 0.00 68.15 67.18 1tl4 h THR 58 CO 0.00 0.34 -0.64 0.61 -0.25 0.00 0.00 175.52 175.58 1tl4 n GLY 59 N -0.81 -0.28 0.84 5.82 0.00 0.12 -5.06 105.19 105.82 1tl4 n GLY 59 Ca 0.06 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.93 0.73 -0.88 1.61 4.76 -1.26 -4.98 118.16 114.20 1tl4 n LYS 60 Ca -0.17 -0.64 -0.16 0.00 -2.87 0.00 0.00 58.31 54.47 1tl4 n LYS 60 Cb 0.62 -0.09 -0.10 0.00 -1.84 0.00 0.00 35.03 33.61 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 -1.45 2.74 -2.75 -0.18 -1.04 -1.26 -4.88 114.28 105.46 1tl4 n THR 61 Ca 0.04 -1.47 -0.42 0.00 -2.04 0.00 0.00 64.05 60.15 1tl4 n THR 61 Cb 0.13 -2.05 -0.04 0.00 -1.82 0.00 0.00 70.33 66.55 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 1.79 4.19 0.74 12.58 0.11 -1.26 -3.74 120.40 134.80 1tl4 s VAL 62 Ca 0.55 0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 59.66 1tl4 s VAL 62 Cb 0.22 -4.68 0.19 0.00 -1.53 0.00 0.00 36.38 30.57 1tl4 s VAL 62 CO -0.01 -1.40 0.64 -1.54 -3.33 0.00 0.00 175.10 169.46 1tl4 n SER 63 N 8.05 -1.78 -3.99 3.54 3.41 0.15 -4.86 113.62 118.14 1tl4 n SER 63 Ca 0.01 -0.87 -0.23 0.00 -0.26 0.00 0.00 58.87 57.52 1tl4 n SER 63 Cb 0.47 -0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 63.66 1tl4 n SER 63 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1tl4 s TYR 64 N -2.14 1.20 0.20 7.33 5.04 -1.26 -4.50 117.35 123.21 1tl4 s TYR 64 Ca 0.42 -0.41 0.03 0.00 -2.44 0.00 0.00 57.07 54.68 1tl4 s TYR 64 Cb -0.04 -0.91 0.03 0.00 0.35 0.00 0.00 41.96 41.39 1tl4 s TYR 64 CO 0.32 -0.23 0.27 1.28 -1.34 0.00 0.00 175.55 175.85 1tl4 n LEU 65 N 3.81 0.00 0.00 6.97 4.32 0.67 -4.92 117.00 127.85 1tl4 n LEU 65 Ca -0.23 -0.86 0.00 0.00 -0.02 0.00 0.00 56.01 54.90 1tl4 n LEU 65 Cb 0.52 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1tl4 n LEU 65 CO 0.25 -0.56 0.00 0.61 -1.22 0.00 0.00 177.39 176.47 1tl4 n GLY 66 N 2.61 -2.67 3.07 -0.72 0.00 -1.26 -4.38 105.19 101.84 1tl4 n GLY 66 Ca 0.05 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 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 2.21 0.00 0.99 2.96 -1.26 -2.10 118.68 121.48 1tl4 s LEU 67 Ca 0.00 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1tl4 s LEU 67 Cb 0.00 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.40 1tl4 s LEU 67 CO 0.00 -0.11 0.00 1.21 -1.32 0.00 0.00 176.35 176.13