#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl4 n PRO 2 N 0.00 3.66 -3.12 0.03 -0.04 -1.26 -4.28 135.00 129.99 1tl4 n PRO 2 Ca 0.00 -2.42 -0.41 0.00 -0.04 0.00 0.00 63.50 60.64 1tl4 n PRO 2 Cb 0.00 -2.86 -0.07 0.00 -0.04 0.00 0.00 33.50 30.53 1tl4 n PRO 2 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1tl4 s LYS 3 N 1.96 4.02 -0.31 0.54 1.02 -1.26 -3.71 119.74 122.01 1tl4 s LYS 3 Ca 0.64 0.43 0.02 0.00 0.02 0.00 0.00 55.97 57.08 1tl4 s LYS 3 Cb 0.17 -3.68 0.09 0.00 -0.52 0.00 0.00 37.83 33.89 1tl4 s LYS 3 CO -0.07 -0.47 0.03 -1.01 -0.92 0.00 0.00 175.35 172.92 1tl4 s HIS 4 N 2.53 2.90 -0.05 3.18 3.76 0.11 -3.70 115.29 124.02 1tl4 s HIS 4 Ca 0.25 -2.37 -0.07 0.00 -0.15 0.00 0.00 55.06 52.72 1tl4 s HIS 4 Cb -0.15 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 1tl4 s HIS 4 CO 0.10 -0.89 0.21 -1.21 -0.85 0.00 0.00 174.74 172.10 1tl4 s GLU 5 N 1.21 3.53 -0.02 1.40 8.01 -1.25 -1.00 118.70 130.58 1tl4 s GLU 5 Ca 0.06 -0.08 0.02 0.00 0.01 0.00 0.00 54.97 54.98 1tl4 s GLU 5 Cb -0.19 -3.15 0.00 0.00 -4.31 0.00 0.00 34.13 26.49 1tl4 s GLU 5 CO -0.12 0.72 -0.07 -0.06 0.01 0.00 0.00 175.26 175.74 1tl4 s PHE 6 N -1.15 0.75 -0.15 1.61 0.40 0.49 -0.35 117.98 119.57 1tl4 s PHE 6 Ca 0.21 -0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 56.30 1tl4 s PHE 6 Cb -0.13 -0.55 -0.04 0.00 0.51 0.00 0.00 43.02 42.81 1tl4 s PHE 6 CO 0.11 -0.08 0.11 0.45 0.70 0.00 0.00 175.22 176.50 1tl4 s SER 7 N 0.21 6.05 0.50 1.36 0.15 0.10 -0.44 113.70 121.64 1tl4 s SER 7 Ca -0.03 0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.91 1tl4 s SER 7 Cb -0.07 -1.99 -0.01 0.00 -1.71 0.00 0.00 66.02 62.24 1tl4 s SER 7 CO 0.00 0.28 0.04 -0.69 1.20 0.00 0.00 173.24 174.07 1tl4 s VAL 8 N -0.28 0.89 -0.84 4.45 1.01 0.23 -0.12 120.40 125.73 1tl4 s VAL 8 Ca 0.10 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.09 1tl4 s VAL 8 Cb -0.12 -2.09 0.24 0.00 0.00 0.00 0.00 36.38 34.41 1tl4 s VAL 8 CO 0.01 0.00 0.88 -0.67 0.00 0.00 0.00 175.10 175.32 1tl4 n ASP 9 N -1.35 4.38 -3.93 3.32 2.03 -1.25 -4.66 116.55 115.08 1tl4 n ASP 9 Ca -0.18 -3.29 -0.41 0.00 0.52 0.00 0.00 54.79 51.44 1tl4 n ASP 9 Cb 0.66 -0.95 -0.02 0.00 -0.72 0.00 0.00 41.12 40.09 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 1.66 2.44 0.00 -0.67 2.81 -1.26 -4.76 117.12 117.33 1tl4 n MET 10 Ca 0.25 -2.51 0.14 0.00 -1.81 0.00 0.00 57.70 53.77 1tl4 n MET 10 Cb 0.37 -3.27 0.80 0.00 -0.71 0.00 0.00 33.22 30.42 1tl4 n MET 10 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1tl4 n THR 11 N 5.82 0.02 -3.80 2.03 5.66 -1.26 -4.74 114.28 118.01 1tl4 n THR 11 Ca 0.50 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.41 1tl4 n THR 11 Cb 0.41 -0.57 -0.04 0.00 -1.55 0.00 0.00 70.33 68.58 1tl4 n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tl4 h GLY 13 N 2.20 1.26 0.72 0.00 0.00 -1.99 0.60 103.07 105.87 1tl4 h GLY 13 Ca -0.27 -0.20 0.10 0.00 0.00 0.00 0.00 47.33 46.95 1tl4 h GLY 13 CO 0.36 -0.16 0.57 -1.33 0.00 0.00 0.00 176.54 175.98 1tl4 h GLY 14 N 0.38 1.26 0.92 4.60 0.00 -1.96 0.71 103.07 108.98 1tl4 h GLY 14 Ca 0.61 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 1tl4 h GLY 14 CO -0.32 0.20 0.08 0.00 0.00 0.00 0.00 176.54 176.50 1tl4 h ALA 16 N 0.92 0.53 -0.16 0.00 0.00 -1.21 0.14 119.26 119.48 1tl4 h ALA 16 Ca 0.11 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1tl4 h ALA 16 Cb 0.31 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1tl4 h ALA 16 CO 0.00 -0.18 -0.27 1.49 0.00 0.00 0.00 179.25 180.29 1tl4 h GLU 17 N 0.39 -0.31 -0.04 0.00 4.81 -0.66 0.28 114.58 119.05 1tl4 h GLU 17 Ca 0.19 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1tl4 h GLU 17 Cb 0.13 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1tl4 h GLU 17 CO -0.16 -0.21 -0.14 0.00 -0.73 0.00 0.00 179.01 177.77 1tl4 h ALA 18 N 0.60 -0.13 -0.28 2.92 0.00 -0.17 0.15 119.26 122.35 1tl4 h ALA 18 Ca 0.11 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1tl4 h ALA 18 Cb 0.49 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1tl4 h ALA 18 CO -0.34 -0.62 -0.20 0.28 0.00 0.00 0.00 179.25 178.37 1tl4 h VAL 19 N -0.22 0.46 -0.22 0.00 2.07 -0.52 0.18 116.25 118.00 1tl4 h VAL 19 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1tl4 h VAL 19 Cb 0.30 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1tl4 h VAL 19 CO -0.17 0.00 0.04 -1.28 0.02 0.00 0.00 177.57 176.18 1tl4 h SER 20 N -0.18 0.00 -0.50 0.57 0.87 -0.27 0.35 113.55 114.39 1tl4 h SER 20 Ca 0.15 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.83 1tl4 h SER 20 Cb 0.40 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.35 1tl4 h SER 20 CO -0.38 0.03 0.13 0.08 -0.53 0.00 0.00 176.83 176.16 1tl4 h ARG 21 N 0.12 0.27 0.18 2.24 0.11 -0.23 0.40 114.38 117.47 1tl4 h ARG 21 Ca 0.10 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 1tl4 h ARG 21 Cb 0.10 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1tl4 h ARG 21 CO -0.14 0.18 -0.09 0.28 0.10 0.00 0.00 179.97 180.31 1tl4 h VAL 22 N 0.28 0.90 -0.34 0.08 2.07 -0.23 -0.46 116.25 118.54 1tl4 h VAL 22 Ca 0.25 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1tl4 h VAL 22 Cb 0.32 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1tl4 h VAL 22 CO -0.30 0.08 -0.12 -0.07 0.02 0.00 0.00 177.57 177.18 1tl4 h LEU 23 N -0.41 0.58 -1.05 2.57 3.38 -0.76 -2.27 115.31 117.35 1tl4 h LEU 23 Ca -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1tl4 h LEU 23 Cb 0.32 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1tl4 h LEU 23 CO 0.04 0.73 0.37 -1.13 0.09 0.00 0.00 178.44 178.54 1tl4 h ASN 24 N 0.55 0.94 -0.90 -0.43 -0.00 0.09 0.46 115.58 116.28 1tl4 h ASN 24 Ca 0.10 -0.09 0.18 0.00 -0.00 0.00 0.00 56.30 56.48 1tl4 h ASN 24 Cb 0.52 -0.24 -0.10 0.00 -0.00 0.00 0.00 38.32 38.50 1tl4 h ASN 24 CO 0.03 0.78 0.47 0.50 -0.00 0.00 0.00 177.43 179.22 1tl4 h LYS 25 N 1.04 0.59 0.63 6.67 3.64 -0.47 -0.16 116.57 128.51 1tl4 h LYS 25 Ca 0.26 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1tl4 h LYS 25 Cb 0.08 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1tl4 h LYS 25 CO -0.04 0.39 -0.30 1.25 -2.27 0.00 0.00 179.45 178.48 1tl4 h LEU 26 N 0.61 -0.71 0.00 5.20 7.12 -1.28 -3.48 115.31 122.76 1tl4 h LEU 26 Ca 0.52 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.51 1tl4 h LEU 26 Cb 0.82 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 1tl4 h LEU 26 CO -0.41 -0.41 0.00 0.61 -0.13 0.00 0.00 178.44 178.11 1tl4 n GLY 27 N -0.99 2.57 1.49 3.75 0.00 0.06 -4.88 105.19 107.19 1tl4 n GLY 27 Ca -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 1.93 3.40 -0.02 0.00 -1.26 -4.80 105.19 104.43 1tl4 n GLY 28 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.43 2.38 0.04 1.61 -7.23 -1.26 -4.79 120.40 111.57 1tl4 s VAL 29 Ca 0.00 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1tl4 s VAL 29 Cb 0.00 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 1tl4 s VAL 29 CO 0.00 0.17 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.35 1tl4 s LYS 30 N -1.84 0.53 -0.13 4.82 -0.14 -1.15 -5.02 119.74 116.80 1tl4 s LYS 30 Ca 0.14 -0.68 -0.22 0.00 -1.36 0.00 0.00 55.97 53.85 1tl4 s LYS 30 Cb -0.10 -0.34 0.05 0.00 -1.68 0.00 0.00 37.83 35.77 1tl4 s LYS 30 CO 0.06 0.07 0.56 1.52 -0.76 0.00 0.00 175.35 176.79 1tl4 s TYR 31 N -1.18 -0.56 0.12 3.18 1.13 -1.26 -0.95 117.35 117.84 1tl4 s TYR 31 Ca -0.08 1.21 -0.08 0.00 -1.41 0.00 0.00 57.07 56.71 1tl4 s TYR 31 Cb -0.09 0.25 -0.06 0.00 -1.10 0.00 0.00 41.96 40.96 1tl4 s TYR 31 CO 0.00 -0.41 0.41 0.34 -2.51 0.00 0.00 175.55 173.39 1tl4 s ASP 32 N -0.40 6.59 -0.37 -0.18 2.15 0.22 -4.90 116.67 119.78 1tl4 s ASP 32 Ca -0.05 0.74 0.00 0.00 0.43 0.00 0.00 52.55 53.67 1tl4 s ASP 32 Cb -0.03 -2.15 0.12 0.00 -0.30 0.00 0.00 42.92 40.56 1tl4 s ASP 32 CO 0.04 0.09 0.19 -0.63 -0.17 0.00 0.00 175.17 174.69 1tl4 s ILE 33 N -1.55 0.85 -0.34 4.11 1.01 -1.26 -0.91 121.20 123.10 1tl4 s ILE 33 Ca 0.38 -1.92 -0.18 0.00 0.00 0.00 0.00 60.65 58.93 1tl4 s ILE 33 Cb -0.13 -1.62 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 1tl4 s ILE 33 CO 0.21 -0.85 0.53 -0.62 0.00 0.00 0.00 174.94 174.21 1tl4 s ASP 34 N 0.99 6.34 -0.07 3.58 -1.08 0.15 -4.97 116.67 121.61 1tl4 s ASP 34 Ca 0.15 0.05 -0.05 0.00 -0.52 0.00 0.00 52.55 52.18 1tl4 s ASP 34 Cb -0.22 -2.28 -0.03 0.00 -1.46 0.00 0.00 42.92 38.94 1tl4 s ASP 34 CO -0.09 -0.48 0.22 -0.07 0.52 0.00 0.00 175.17 175.28 1tl4 h LEU 35 N 9.10 -0.15 -1.60 -1.34 3.38 -1.90 0.16 115.31 122.96 1tl4 h LEU 35 Ca -0.28 0.01 0.14 0.00 0.09 0.00 0.00 57.88 57.84 1tl4 h LEU 35 Cb 1.12 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1tl4 h LEU 35 CO 0.78 0.26 0.48 1.55 0.09 0.00 0.00 178.44 181.60 1tl4 h PRO 36 N -0.90 0.39 -0.22 1.13 0.13 -1.93 0.11 132.00 130.72 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 0.13 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1tl4 h PRO 36 CO 0.03 0.26 0.00 0.09 -0.23 0.00 0.00 178.00 178.15 1tl4 n ASN 37 N -4.47 3.22 -3.54 1.44 3.02 -1.26 -5.03 115.26 108.64 1tl4 n ASN 37 Ca 0.13 -1.99 -0.23 0.00 -0.03 0.00 0.00 54.58 52.47 1tl4 n ASN 37 Cb 0.50 -0.13 0.03 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.41 -1.36 -3.86 3.52 4.01 0.40 -4.84 118.16 117.44 1tl4 n LYS 38 Ca 0.17 0.75 -0.11 0.00 -0.51 0.00 0.00 58.31 58.62 1tl4 n LYS 38 Cb 0.60 -4.25 -0.09 0.00 -0.51 0.00 0.00 35.03 30.78 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 -5.07 0.63 -0.20 1.97 1.02 0.44 -0.60 119.74 117.93 1tl4 s LYS 39 Ca 0.29 -0.56 -0.03 0.00 0.02 0.00 0.00 55.97 55.69 1tl4 s LYS 39 Cb -0.10 0.26 0.06 0.00 -0.52 0.00 0.00 37.83 37.53 1tl4 s LYS 39 CO 0.84 -0.17 0.04 0.08 -0.92 0.00 0.00 175.35 175.21 1tl4 s VAL 40 N -2.21 0.53 -0.33 3.17 1.01 0.42 -0.68 120.40 122.30 1tl4 s VAL 40 Ca -0.08 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1tl4 s VAL 40 Cb -0.03 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.35 1tl4 s VAL 40 CO -0.02 -0.22 0.10 0.00 0.00 0.00 0.00 175.10 174.96 1tl4 s ILE 42 N 1.40 4.01 -0.16 0.00 1.01 -0.17 -0.61 121.20 126.68 1tl4 s ILE 42 Ca -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1tl4 s ILE 42 Cb -0.19 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.53 1tl4 s ILE 42 CO 0.03 0.49 -0.16 -1.61 0.00 0.00 0.00 174.94 173.68 1tl4 s GLU 43 N 0.39 2.52 0.16 2.79 2.02 -0.12 -0.71 118.70 125.75 1tl4 s GLU 43 Ca -0.03 -0.67 -0.07 0.00 0.02 0.00 0.00 54.97 54.21 1tl4 s GLU 43 Cb -0.14 -2.29 0.03 0.00 0.10 0.00 0.00 34.13 31.83 1tl4 s GLU 43 CO 0.03 -0.24 0.38 0.45 0.02 0.00 0.00 175.26 175.90 1tl4 n SER 44 N 4.71 -1.01 -0.10 -0.19 2.88 -1.24 -2.91 113.62 115.76 1tl4 n SER 44 Ca -0.18 -1.67 -0.12 0.00 -1.33 0.00 0.00 58.87 55.57 1tl4 n SER 44 Cb 0.50 1.67 -0.07 0.00 -0.75 0.00 0.00 64.21 65.55 1tl4 n SER 44 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1tl4 h GLU 45 N 0.00 -0.40 -1.60 -1.46 4.22 -1.87 -3.43 114.58 110.04 1tl4 h GLU 45 Ca -0.15 0.03 -0.14 0.00 0.08 0.00 0.00 59.36 59.17 1tl4 h GLU 45 Cb 0.56 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1tl4 h GLU 45 CO 0.19 -0.26 0.60 0.72 -2.18 0.00 0.00 179.01 178.07 1tl4 n HIS 46 N -5.41 0.11 -1.36 0.92 -0.00 -1.26 -4.80 115.22 103.43 1tl4 n HIS 46 Ca -0.03 0.08 -0.48 0.00 -0.00 0.00 0.00 57.72 57.30 1tl4 n HIS 46 Cb 0.36 -0.55 -0.03 0.00 -0.00 0.00 0.00 29.99 29.77 1tl4 n HIS 46 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1tl4 n SER 47 N 2.79 -1.07 -0.35 0.41 2.88 -1.26 -4.59 113.62 112.42 1tl4 n SER 47 Ca 0.21 1.09 0.30 0.00 -1.33 0.00 0.00 58.87 59.15 1tl4 n SER 47 Cb 0.02 -0.91 0.63 0.00 -0.75 0.00 0.00 64.21 63.20 1tl4 n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tl4 h MET 48 N 1.18 0.19 0.53 -1.46 -0.00 -1.97 -0.94 114.93 112.47 1tl4 h MET 48 Ca -0.30 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.70 59.37 1tl4 h MET 48 Cb 1.39 -0.04 0.01 0.00 -0.00 0.00 0.00 31.60 32.95 1tl4 h MET 48 CO 0.56 0.12 -0.26 -0.44 -0.00 0.00 0.00 176.91 176.90 1tl4 h ASP 49 N 0.19 -0.61 -0.44 -0.10 5.19 -1.98 0.30 116.42 118.97 1tl4 h ASP 49 Ca 0.63 -0.03 0.04 0.00 -0.62 0.00 0.00 57.03 57.05 1tl4 h ASP 49 Cb 2.02 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 41.65 1tl4 h ASP 49 CO -0.20 -0.35 0.20 0.74 -3.12 0.00 0.00 179.24 176.51 1tl4 h THR 50 N -0.84 0.93 0.61 0.35 2.02 -1.53 -0.14 112.91 114.31 1tl4 h THR 50 Ca -0.07 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1tl4 h THR 50 Cb 0.60 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1tl4 h THR 50 CO 0.12 0.07 -0.32 -0.07 0.37 0.00 0.00 175.52 175.69 1tl4 h LEU 51 N 0.40 -0.78 -0.46 2.58 3.38 -1.32 -2.88 115.31 116.24 1tl4 h LEU 51 Ca 0.20 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.29 1tl4 h LEU 51 Cb 0.13 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.00 1tl4 h LEU 51 CO -0.16 -0.53 -0.33 -0.07 0.09 0.00 0.00 178.44 177.45 1tl4 h LEU 52 N -0.85 -1.11 -1.49 1.67 3.38 0.32 0.41 115.31 117.63 1tl4 h LEU 52 Ca -0.08 0.20 0.18 0.00 0.09 0.00 0.00 57.88 58.27 1tl4 h LEU 52 Cb 0.67 0.53 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1tl4 h LEU 52 CO 0.11 -0.31 0.56 0.00 0.09 0.00 0.00 178.44 178.89 1tl4 h ALA 53 N 0.83 2.11 0.27 1.53 0.00 -1.06 0.16 119.26 123.10 1tl4 h ALA 53 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1tl4 h ALA 53 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1tl4 h ALA 53 CO -0.58 -0.37 -0.13 1.15 0.00 0.00 0.00 179.25 179.32 1tl4 h THR 54 N 0.46 0.46 -0.81 0.00 2.02 -0.34 -3.38 112.91 111.31 1tl4 h THR 54 Ca 0.44 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 1tl4 h THR 54 Cb 1.00 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1tl4 h THR 54 CO -0.17 0.12 0.34 -0.07 0.37 0.00 0.00 175.52 176.11 1tl4 h LEU 55 N -0.98 1.11 -1.86 2.58 3.38 0.58 -0.37 115.31 119.74 1tl4 h LEU 55 Ca -0.04 -0.16 0.53 0.00 0.09 0.00 0.00 57.88 58.30 1tl4 h LEU 55 Cb 0.46 -0.29 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 1tl4 h LEU 55 CO 0.06 0.97 1.26 0.11 0.09 0.00 0.00 178.44 180.93 1tl4 h LYS 56 N 1.17 0.01 0.00 1.13 6.56 -0.90 -0.43 116.57 124.11 1tl4 h LYS 56 Ca 0.27 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 1tl4 h LYS 56 Cb 0.20 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1tl4 h LYS 56 CO -0.02 0.01 0.00 0.87 -2.06 0.00 0.00 179.45 178.24 1tl4 h LYS 57 N 0.01 0.00 -0.85 3.15 1.79 -1.24 0.27 116.57 119.70 1tl4 h LYS 57 Ca 0.90 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 59.36 1tl4 h LYS 57 Cb 3.44 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 34.05 1tl4 h LYS 57 CO -0.11 0.00 0.52 1.79 -1.08 0.00 0.00 179.45 180.57 1tl4 h THR 58 N 0.00 1.24 -6.00 -0.16 1.35 -1.28 -3.47 112.91 104.58 1tl4 h THR 58 Ca 0.00 -0.51 -0.41 0.00 -0.55 0.00 0.00 66.41 64.94 1tl4 h THR 58 Cb 0.13 0.04 0.07 0.00 -1.73 0.00 0.00 68.15 66.66 1tl4 h THR 58 CO 0.00 0.25 -0.79 0.61 -0.25 0.00 0.00 175.52 175.33 1tl4 n GLY 59 N -1.22 -0.36 0.00 5.82 0.00 0.96 -5.01 105.19 105.38 1tl4 n GLY 59 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.36 3.06 -0.51 1.61 5.02 -1.26 -5.01 118.16 116.70 1tl4 n LYS 60 Ca -0.22 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.03 1tl4 n LYS 60 Cb 0.64 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.61 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 0.00 1.76 -2.70 -0.18 -1.04 -1.26 -4.83 114.28 106.03 1tl4 n THR 61 Ca 0.00 -0.66 -0.42 0.00 -2.04 0.00 0.00 64.05 60.93 1tl4 n THR 61 Cb 0.00 -1.56 -0.03 0.00 -1.82 0.00 0.00 70.33 66.92 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 0.92 4.24 0.16 12.58 0.11 -1.26 -3.88 120.40 133.27 1tl4 s VAL 62 Ca 0.19 -1.13 -0.19 0.00 -2.93 0.00 0.00 61.98 57.92 1tl4 s VAL 62 Cb 0.09 -4.96 -0.07 0.00 -1.53 0.00 0.00 36.38 29.91 1tl4 s VAL 62 CO 0.00 -1.78 0.64 -0.44 -3.33 0.00 0.00 175.10 170.19 1tl4 s SER 63 N 4.43 7.04 0.07 3.54 0.01 0.82 -4.94 113.70 124.67 1tl4 s SER 63 Ca 0.41 1.32 -0.27 0.00 1.31 0.00 0.00 55.95 58.72 1tl4 s SER 63 Cb -0.02 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1tl4 s SER 63 CO -0.09 0.14 0.84 -0.47 0.41 0.00 0.00 173.24 174.07 1tl4 s TYR 64 N -1.35 3.77 0.58 2.43 5.04 -1.26 -0.72 117.35 125.84 1tl4 s TYR 64 Ca 0.37 1.60 0.07 0.00 -2.44 0.00 0.00 57.07 56.68 1tl4 s TYR 64 Cb -0.18 -2.91 0.07 0.00 0.35 0.00 0.00 41.96 39.29 1tl4 s TYR 64 CO 0.21 0.25 0.62 1.28 -1.34 0.00 0.00 175.55 176.56 1tl4 n LEU 65 N 2.80 0.00 -4.45 6.97 7.99 0.52 -4.86 117.00 125.97 1tl4 n LEU 65 Ca -0.01 -2.77 -0.29 0.00 -0.01 0.00 0.00 56.01 52.94 1tl4 n LEU 65 Cb 0.50 -0.24 0.25 0.00 -0.11 0.00 0.00 43.42 43.82 1tl4 n LEU 65 CO 0.49 -0.66 0.37 0.61 -1.51 0.00 0.00 177.39 176.69 1tl4 n GLY 66 N -2.05 -2.07 3.43 -0.72 0.00 -1.26 -4.55 105.19 97.97 1tl4 n GLY 66 Ca 0.07 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -6.51 2.58 0.00 0.99 0.20 -1.26 -3.80 118.68 110.89 1tl4 s LEU 67 Ca 0.67 -0.26 0.04 0.00 0.69 0.00 0.00 54.13 55.27 1tl4 s LEU 67 Cb -0.24 -1.51 0.03 0.00 -0.43 0.00 0.00 46.19 44.04 1tl4 s LEU 67 CO 0.65 0.33 0.62 -0.62 -0.29 0.00 0.00 176.35 177.05