#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 2.54 0.10 0.03 0.04 -1.18 -4.73 135.00 131.80 1tl4 s PRO 2 Ca 0.00 -3.14 0.10 0.00 0.04 0.00 0.00 61.00 58.00 1tl4 s PRO 2 Cb 0.00 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 1tl4 s PRO 2 CO 0.00 -1.24 -0.25 -1.59 0.04 0.00 0.00 177.00 173.96 1tl4 s LYS 3 N -1.12 1.58 -0.26 4.56 -2.85 0.15 -0.69 119.74 121.13 1tl4 s LYS 3 Ca 0.23 -1.25 -0.00 0.00 -1.00 0.00 0.00 55.97 53.95 1tl4 s LYS 3 Cb -0.10 -1.96 0.08 0.00 -2.06 0.00 0.00 37.83 33.79 1tl4 s LYS 3 CO -0.12 0.47 0.03 -1.01 0.10 0.00 0.00 175.35 174.83 1tl4 s HIS 4 N -0.99 1.95 0.06 1.78 3.76 0.32 -1.15 115.29 121.01 1tl4 s HIS 4 Ca 0.14 -1.64 -0.14 0.00 -0.15 0.00 0.00 55.06 53.28 1tl4 s HIS 4 Cb -0.10 -1.60 -0.06 0.00 1.11 0.00 0.00 32.58 31.93 1tl4 s HIS 4 CO 0.05 -0.78 0.45 -1.21 -0.85 0.00 0.00 174.74 172.40 1tl4 s GLU 5 N 1.54 3.91 -0.03 1.40 2.02 -1.24 -1.83 118.70 124.47 1tl4 s GLU 5 Ca 0.02 0.39 0.02 0.00 0.02 0.00 0.00 54.97 55.42 1tl4 s GLU 5 Cb -0.18 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 30.95 1tl4 s GLU 5 CO -0.13 0.61 -0.07 -0.06 0.02 0.00 0.00 175.26 175.63 1tl4 s PHE 6 N -1.24 0.82 -0.09 1.61 0.40 0.87 -0.29 117.98 120.06 1tl4 s PHE 6 Ca 0.29 -0.21 -0.23 0.00 -0.60 0.00 0.00 56.93 56.18 1tl4 s PHE 6 Cb -0.16 -0.63 -0.03 0.00 0.51 0.00 0.00 43.02 42.71 1tl4 s PHE 6 CO 0.16 -0.13 0.69 0.45 0.70 0.00 0.00 175.22 177.10 1tl4 s SER 7 N 0.44 6.95 -0.21 1.36 0.15 0.37 -0.35 113.70 122.42 1tl4 s SER 7 Ca -0.06 1.14 -0.04 0.00 0.70 0.00 0.00 55.95 57.69 1tl4 s SER 7 Cb -0.10 -2.40 0.09 0.00 -1.71 0.00 0.00 66.02 61.90 1tl4 s SER 7 CO 0.00 -0.14 0.21 -0.69 1.20 0.00 0.00 173.24 173.82 1tl4 s VAL 8 N 0.97 -0.30 0.00 4.45 1.01 -0.25 -0.97 120.40 125.31 1tl4 s VAL 8 Ca 0.36 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1tl4 s VAL 8 Cb -0.17 -0.69 -0.10 0.00 0.00 0.00 0.00 36.38 35.42 1tl4 s VAL 8 CO 0.17 -0.23 0.98 -0.90 0.00 0.00 0.00 175.10 175.12 1tl4 n ASP 9 N 5.31 0.19 -4.58 3.32 5.75 -1.26 -3.79 116.55 121.50 1tl4 n ASP 9 Ca -0.05 -1.83 -0.40 0.00 -0.01 0.00 0.00 54.79 52.49 1tl4 n ASP 9 Cb 0.49 -0.40 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1tl4 n ASP 9 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1tl4 s MET 10 N 4.84 3.68 0.00 0.11 -1.94 -1.26 -4.79 119.30 119.93 1tl4 s MET 10 Ca 0.17 -1.68 0.26 0.00 -1.71 0.00 0.00 55.69 52.74 1tl4 s MET 10 Cb 0.04 -5.45 1.35 0.00 2.01 0.00 0.00 34.83 32.78 1tl4 s MET 10 CO 0.09 -2.51 1.90 -2.37 -0.01 0.00 0.00 175.02 172.12 1tl4 n THR 11 N 6.71 0.14 -3.79 2.05 5.66 -1.26 -4.76 114.28 119.03 1tl4 n THR 11 Ca 0.45 0.03 -0.09 0.00 -3.05 0.00 0.00 64.05 61.40 1tl4 n THR 11 Cb 0.47 -0.60 -0.04 0.00 -1.55 0.00 0.00 70.33 68.61 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 1.47 0.20 0.00 0.00 -1.99 -0.11 103.07 104.84 1tl4 h GLY 13 Ca -0.28 -0.05 0.19 0.00 0.00 0.00 0.00 47.33 47.19 1tl4 h GLY 13 CO 0.36 -0.40 0.61 -1.33 0.00 0.00 0.00 176.54 175.78 1tl4 h GLY 14 N 0.21 1.49 0.90 4.60 0.00 -1.96 0.16 103.07 108.46 1tl4 h GLY 14 Ca 0.59 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1tl4 h GLY 14 CO -0.67 -0.03 0.06 0.00 0.00 0.00 0.00 176.54 175.90 1tl4 h ALA 16 N 0.90 0.65 -0.12 0.00 0.00 -0.78 0.15 119.26 120.06 1tl4 h ALA 16 Ca 0.10 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1tl4 h ALA 16 Cb 0.34 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1tl4 h ALA 16 CO 0.01 0.10 -0.16 0.93 0.00 0.00 0.00 179.25 180.13 1tl4 h GLU 17 N 0.70 -0.19 -0.06 0.00 5.08 -0.73 0.15 114.58 119.53 1tl4 h GLU 17 Ca 0.19 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1tl4 h GLU 17 Cb -0.07 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1tl4 h GLU 17 CO -0.04 -0.13 -0.08 0.00 -1.00 0.00 0.00 179.01 177.76 1tl4 h ALA 18 N 0.84 -0.04 -0.35 3.43 0.00 -0.45 0.45 119.26 123.15 1tl4 h ALA 18 Ca 0.09 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1tl4 h ALA 18 Cb 0.33 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1tl4 h ALA 18 CO -0.24 -0.55 -0.07 0.28 0.00 0.00 0.00 179.25 178.67 1tl4 h VAL 19 N -0.11 0.67 -0.22 0.00 2.07 -0.49 -0.52 116.25 117.64 1tl4 h VAL 19 Ca 0.05 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1tl4 h VAL 19 Cb 0.19 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1tl4 h VAL 19 CO -0.13 0.00 -0.03 -1.28 0.02 0.00 0.00 177.57 176.16 1tl4 h SER 20 N 0.02 -0.15 -0.46 0.57 0.87 -0.14 0.11 113.55 114.36 1tl4 h SER 20 Ca 0.17 0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.87 1tl4 h SER 20 Cb 0.25 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.25 1tl4 h SER 20 CO -0.35 -0.05 0.03 -0.09 -0.53 0.00 0.00 176.83 175.85 1tl4 h ARG 21 N 0.03 0.14 0.23 2.24 2.43 -0.40 0.33 114.38 119.39 1tl4 h ARG 21 Ca 0.10 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1tl4 h ARG 21 Cb 0.15 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1tl4 h ARG 21 CO -0.20 0.09 -0.11 0.28 -1.51 0.00 0.00 179.97 178.52 1tl4 h VAL 22 N 0.15 0.83 -0.76 0.20 2.07 -0.24 -0.64 116.25 117.86 1tl4 h VAL 22 Ca 0.23 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1tl4 h VAL 22 Cb 0.33 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1tl4 h VAL 22 CO -0.36 0.10 0.32 -0.07 0.02 0.00 0.00 177.57 177.58 1tl4 h LEU 23 N -0.54 1.01 -0.38 2.57 3.38 -0.64 -2.21 115.31 118.51 1tl4 h LEU 23 Ca -0.03 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1tl4 h LEU 23 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1tl4 h LEU 23 CO 0.05 0.88 0.22 -1.13 0.09 0.00 0.00 178.44 178.56 1tl4 h ASN 24 N 1.09 0.36 -0.79 -0.43 -0.00 -0.18 -2.86 115.58 112.77 1tl4 h ASN 24 Ca 0.26 0.00 0.17 0.00 -0.00 0.00 0.00 56.30 56.73 1tl4 h ASN 24 Cb 0.17 -0.07 -0.11 0.00 -0.00 0.00 0.00 38.32 38.31 1tl4 h ASN 24 CO -0.03 0.26 0.29 0.50 -0.00 0.00 0.00 177.43 178.46 1tl4 h LYS 25 N 0.46 0.38 -0.71 6.67 3.64 -0.47 0.19 116.57 126.73 1tl4 h LYS 25 Ca 0.15 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.66 1tl4 h LYS 25 Cb 0.00 -0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 31.62 1tl4 h LYS 25 CO -0.07 0.25 0.10 1.25 -2.27 0.00 0.00 179.45 178.71 1tl4 h LEU 26 N 0.39 -0.13 0.00 5.20 7.12 -1.39 -3.48 115.31 123.03 1tl4 h LEU 26 Ca 0.45 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.62 1tl4 h LEU 26 Cb 0.76 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1tl4 h LEU 26 CO -0.47 -0.09 0.00 0.61 -0.13 0.00 0.00 178.44 178.37 1tl4 n GLY 27 N -1.37 1.34 0.62 3.75 0.00 0.68 -4.93 105.19 105.28 1tl4 n GLY 27 Ca 0.13 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 0.55 3.76 -0.02 0.00 -1.26 -4.81 105.19 103.40 1tl4 n GLY 28 Ca 0.00 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.58 2.76 0.01 1.61 -7.23 -1.26 -4.98 120.40 109.73 1tl4 s VAL 29 Ca 0.24 0.53 0.03 0.00 -1.81 0.00 0.00 61.98 60.98 1tl4 s VAL 29 Cb 0.13 -3.25 -0.01 0.00 0.56 0.00 0.00 36.38 33.80 1tl4 s VAL 29 CO 0.17 -0.04 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.28 1tl4 s LYS 30 N -2.97 0.71 -0.05 4.82 -0.14 -1.26 -4.96 119.74 115.88 1tl4 s LYS 30 Ca 0.70 -0.49 -0.24 0.00 -1.36 0.00 0.00 55.97 54.57 1tl4 s LYS 30 Cb -0.31 -0.66 0.05 0.00 -1.68 0.00 0.00 37.83 35.23 1tl4 s LYS 30 CO 0.36 0.17 0.54 1.52 -0.76 0.00 0.00 175.35 177.18 1tl4 s TYR 31 N -0.57 -0.49 0.28 3.18 1.13 -1.26 -1.04 117.35 118.57 1tl4 s TYR 31 Ca 0.00 0.87 -0.10 0.00 -1.41 0.00 0.00 57.07 56.44 1tl4 s TYR 31 Cb -0.06 0.28 -0.07 0.00 -1.10 0.00 0.00 41.96 41.01 1tl4 s TYR 31 CO 0.00 -0.50 0.62 0.34 -2.51 0.00 0.00 175.55 173.50 1tl4 s ASP 32 N -1.08 6.62 -0.34 -0.18 2.15 0.28 -4.91 116.67 119.21 1tl4 s ASP 32 Ca -0.11 0.99 -0.01 0.00 0.43 0.00 0.00 52.55 53.86 1tl4 s ASP 32 Cb -0.02 -2.26 0.13 0.00 -0.30 0.00 0.00 42.92 40.47 1tl4 s ASP 32 CO 0.07 -0.16 0.20 -0.63 -0.17 0.00 0.00 175.17 174.48 1tl4 s ILE 33 N -1.95 0.06 -0.42 4.11 1.01 -1.26 -1.38 121.20 121.37 1tl4 s ILE 33 Ca 0.49 -1.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.51 1tl4 s ILE 33 Cb -0.11 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1tl4 s ILE 33 CO 0.23 -0.91 0.52 -0.62 0.00 0.00 0.00 174.94 174.15 1tl4 s ASP 34 N 1.34 6.25 -0.05 3.58 -1.08 0.36 -4.97 116.67 122.11 1tl4 s ASP 34 Ca 0.16 -0.51 -0.12 0.00 -0.52 0.00 0.00 52.55 51.56 1tl4 s ASP 34 Cb -0.21 -2.26 -0.07 0.00 -1.46 0.00 0.00 42.92 38.92 1tl4 s ASP 34 CO -0.08 -0.65 0.50 -0.07 0.52 0.00 0.00 175.17 175.39 1tl4 h LEU 35 N 9.29 -0.36 -1.33 -1.34 3.38 -1.92 0.10 115.31 123.13 1tl4 h LEU 35 Ca -0.26 0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.79 1tl4 h LEU 35 Cb 1.11 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 1tl4 h LEU 35 CO 0.83 0.07 0.50 1.55 0.09 0.00 0.00 178.44 181.48 1tl4 h PRO 36 N -1.09 0.78 0.00 1.13 0.13 -1.93 -1.72 132.00 129.30 1tl4 h PRO 36 Ca -0.04 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.91 1tl4 h PRO 36 Cb 0.33 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 1tl4 h PRO 36 CO 0.07 0.51 -0.69 -0.91 -0.23 0.00 0.00 178.00 176.76 1tl4 h ASN 37 N 0.80 0.00 -3.95 1.44 2.35 -1.97 -3.49 115.58 110.76 1tl4 h ASN 37 Ca 0.33 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.02 1tl4 h ASN 37 Cb 0.27 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.69 1tl4 h ASN 37 CO -0.11 0.56 -0.23 0.29 -1.65 0.00 0.00 177.43 176.29 1tl4 n LYS 38 N -3.19 -0.76 -3.83 0.81 4.01 0.15 -4.94 118.16 110.41 1tl4 n LYS 38 Ca 0.00 0.52 -0.12 0.00 -0.51 0.00 0.00 58.31 58.20 1tl4 n LYS 38 Cb 0.77 -3.19 -0.12 0.00 -0.51 0.00 0.00 35.03 31.98 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 -3.37 0.18 -0.16 1.97 2.20 0.01 -1.09 119.74 119.49 1tl4 s LYS 39 Ca 0.12 0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.83 1tl4 s LYS 39 Cb -0.02 0.09 0.05 0.00 -1.51 0.00 0.00 37.83 36.44 1tl4 s LYS 39 CO 0.29 -0.03 -0.00 0.08 -0.36 0.00 0.00 175.35 175.33 1tl4 s VAL 40 N -0.09 0.73 -0.29 4.02 1.01 0.52 -0.48 120.40 125.82 1tl4 s VAL 40 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1tl4 s VAL 40 Cb -0.02 -1.04 0.08 0.00 0.00 0.00 0.00 36.38 35.40 1tl4 s VAL 40 CO 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 175.10 175.11 1tl4 s ILE 42 N 1.18 5.00 -0.46 0.00 1.09 -0.76 -0.56 121.20 126.69 1tl4 s ILE 42 Ca 0.02 1.33 0.02 0.00 -1.10 0.00 0.00 60.65 60.93 1tl4 s ILE 42 Cb -0.19 -3.98 0.12 0.00 -1.06 0.00 0.00 42.46 37.35 1tl4 s ILE 42 CO -0.09 0.32 0.20 -0.70 -0.10 0.00 0.00 174.94 174.57 1tl4 s GLU 43 N 0.41 1.89 0.10 2.79 2.12 -0.21 -0.52 118.70 125.28 1tl4 s GLU 43 Ca 0.34 -2.24 -0.25 0.00 0.36 0.00 0.00 54.97 53.18 1tl4 s GLU 43 Cb -0.18 -3.37 0.07 0.00 0.26 0.00 0.00 34.13 30.91 1tl4 s GLU 43 CO 0.17 -1.05 0.63 -1.54 -0.54 0.00 0.00 175.26 172.93 1tl4 s SER 44 N 0.55 -0.58 0.60 -1.70 1.04 0.14 -4.23 113.70 109.53 1tl4 s SER 44 Ca 0.14 0.16 0.32 0.00 0.48 0.00 0.00 55.95 57.05 1tl4 s SER 44 Cb -0.22 0.57 1.92 0.00 0.10 0.00 0.00 66.02 68.39 1tl4 s SER 44 CO -0.04 -0.87 2.27 -0.33 0.98 0.00 0.00 173.24 175.25 1tl4 h GLU 45 N 2.22 0.00 -6.03 4.02 5.08 -1.94 -3.42 114.58 114.50 1tl4 h GLU 45 Ca -0.32 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.38 1tl4 h GLU 45 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1tl4 h GLU 45 CO 0.38 0.00 1.34 0.72 -1.00 0.00 0.00 179.01 180.45 1tl4 n HIS 46 N -3.72 1.76 -1.59 4.33 8.25 -1.26 -4.87 115.22 118.12 1tl4 n HIS 46 Ca -0.03 0.23 -0.38 0.00 -0.26 0.00 0.00 57.72 57.29 1tl4 n HIS 46 Cb 0.09 -2.56 0.05 0.00 1.12 0.00 0.00 29.99 28.69 1tl4 n HIS 46 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1tl4 n SER 47 N 9.23 0.45 -0.23 0.41 2.88 -1.26 -4.66 113.62 120.44 1tl4 n SER 47 Ca 0.37 0.81 0.20 0.00 -1.33 0.00 0.00 58.87 58.92 1tl4 n SER 47 Cb 0.24 -1.34 0.54 0.00 -0.75 0.00 0.00 64.21 62.90 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 0.52 0.34 0.60 -1.46 -0.00 -1.93 -0.33 114.93 112.68 1tl4 h MET 48 Ca -0.48 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.17 1tl4 h MET 48 Cb 1.37 -0.08 0.01 0.00 -0.00 0.00 0.00 31.60 32.90 1tl4 h MET 48 CO 0.51 0.23 -0.29 0.22 -0.00 0.00 0.00 176.91 177.57 1tl4 h ASP 49 N 0.35 -0.69 -0.54 -0.10 3.58 -1.98 0.39 116.42 117.43 1tl4 h ASP 49 Ca 0.46 -0.03 0.11 0.00 0.42 0.00 0.00 57.03 57.99 1tl4 h ASP 49 Cb 1.22 0.18 -0.10 0.00 1.72 0.00 0.00 39.33 42.34 1tl4 h ASP 49 CO -0.16 -0.33 -0.14 0.74 -2.88 0.00 0.00 179.24 176.47 1tl4 h THR 50 N -1.08 0.44 -0.50 2.25 2.02 -1.78 0.32 112.91 114.59 1tl4 h THR 50 Ca -0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1tl4 h THR 50 Cb 0.67 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1tl4 h THR 50 CO 0.14 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 176.18 1tl4 h LEU 51 N -0.01 0.67 0.04 2.58 3.38 -1.04 -1.27 115.31 119.67 1tl4 h LEU 51 Ca 0.26 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1tl4 h LEU 51 Cb 0.41 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1tl4 h LEU 51 CO -0.57 0.63 -0.36 -0.07 0.09 0.00 0.00 178.44 178.17 1tl4 h LEU 52 N 0.66 -1.07 -0.67 1.67 3.38 0.13 0.38 115.31 119.79 1tl4 h LEU 52 Ca 0.17 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.37 1tl4 h LEU 52 Cb 0.16 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1tl4 h LEU 52 CO -0.02 -0.42 0.30 0.00 0.09 0.00 0.00 178.44 178.39 1tl4 h ALA 53 N 0.09 0.91 0.51 1.53 0.00 -0.87 0.13 119.26 121.56 1tl4 h ALA 53 Ca 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1tl4 h ALA 53 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tl4 h ALA 53 CO -0.26 -0.12 -0.26 1.15 0.00 0.00 0.00 179.25 179.76 1tl4 h THR 54 N 0.51 0.47 -0.08 0.00 2.02 -0.60 -3.27 112.91 111.95 1tl4 h THR 54 Ca 0.34 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.39 1tl4 h THR 54 Cb 0.40 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1tl4 h THR 54 CO -0.30 0.00 -0.53 -0.07 0.37 0.00 0.00 175.52 174.99 1tl4 h LEU 55 N -0.71 0.26 -1.98 2.58 3.38 0.52 -0.29 115.31 119.08 1tl4 h LEU 55 Ca -0.07 -0.14 0.30 0.00 0.09 0.00 0.00 57.88 58.07 1tl4 h LEU 55 Cb 0.55 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1tl4 h LEU 55 CO 0.11 0.75 0.75 0.11 0.09 0.00 0.00 178.44 180.24 1tl4 h LYS 56 N 0.19 0.01 0.00 1.13 6.56 -0.84 -0.76 116.57 122.87 1tl4 h LYS 56 Ca 0.00 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1tl4 h LYS 56 Cb 1.00 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.66 1tl4 h LYS 56 CO 0.08 0.01 0.00 0.87 -2.06 0.00 0.00 179.45 178.35 1tl4 h LYS 57 N 0.02 0.00 0.00 3.15 1.79 -1.10 0.16 116.57 120.59 1tl4 h LYS 57 Ca 0.50 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.91 1tl4 h LYS 57 Cb 1.97 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.61 1tl4 h LYS 57 CO -0.02 0.00 -0.26 1.79 -1.08 0.00 0.00 179.45 179.89 1tl4 h THR 58 N 0.00 1.10 -3.79 -0.16 1.35 -1.30 -3.47 112.91 106.65 1tl4 h THR 58 Ca 0.00 -0.91 -0.37 0.00 -0.55 0.00 0.00 66.41 64.59 1tl4 h THR 58 Cb 0.18 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1tl4 h THR 58 CO 0.00 0.25 -0.50 0.61 -0.25 0.00 0.00 175.52 175.63 1tl4 n GLY 59 N -0.71 -0.50 1.71 5.82 0.00 0.58 -5.01 105.19 107.08 1tl4 n GLY 59 Ca -0.02 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.27 -0.53 -0.78 1.61 4.76 -1.26 -4.91 118.16 113.78 1tl4 n LYS 60 Ca -0.17 -0.93 -0.09 0.00 -2.87 0.00 0.00 58.31 54.26 1tl4 n LYS 60 Cb 0.64 -0.59 -0.12 0.00 -1.84 0.00 0.00 35.03 33.12 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 -2.77 2.41 -2.39 -0.18 -1.04 -1.26 -4.90 114.28 104.15 1tl4 n THR 61 Ca 0.07 -1.15 -0.42 0.00 -2.04 0.00 0.00 64.05 60.51 1tl4 n THR 61 Cb 0.26 -1.85 -0.02 0.00 -1.82 0.00 0.00 70.33 66.89 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 1.19 3.85 -0.09 12.58 0.11 -1.26 -4.61 120.40 132.16 1tl4 s VAL 62 Ca 0.49 0.78 0.03 0.00 -2.93 0.00 0.00 61.98 60.35 1tl4 s VAL 62 Cb 0.23 -4.38 -0.01 0.00 -1.53 0.00 0.00 36.38 30.70 1tl4 s VAL 62 CO 0.00 -1.03 -0.19 -0.94 -3.33 0.00 0.00 175.10 169.61 1tl4 s SER 63 N 4.16 3.54 0.17 3.54 1.04 -0.14 -4.93 113.70 121.08 1tl4 s SER 63 Ca 0.55 -0.42 -0.19 0.00 0.48 0.00 0.00 55.95 56.37 1tl4 s SER 63 Cb -0.11 -1.26 -0.08 0.00 0.10 0.00 0.00 66.02 64.67 1tl4 s SER 63 CO 0.28 0.21 0.66 -0.47 0.98 0.00 0.00 173.24 174.90 1tl4 s TYR 64 N 0.07 3.70 0.51 5.02 5.04 -1.26 -0.47 117.35 129.94 1tl4 s TYR 64 Ca -0.08 1.32 0.03 0.00 -2.44 0.00 0.00 57.07 55.90 1tl4 s TYR 64 Cb -0.15 -2.56 -0.01 0.00 0.35 0.00 0.00 41.96 39.59 1tl4 s TYR 64 CO 0.05 0.42 0.10 -0.51 -1.34 0.00 0.00 175.55 174.28 1tl4 s LEU 65 N -1.73 2.46 0.80 6.97 1.02 0.61 -4.89 118.68 123.92 1tl4 s LEU 65 Ca 0.39 -1.52 -0.14 0.00 0.02 0.00 0.00 54.13 52.88 1tl4 s LEU 65 Cb -0.17 -0.88 0.04 0.00 0.02 0.00 0.00 46.19 45.20 1tl4 s LEU 65 CO 0.21 -0.87 0.91 0.61 0.02 0.00 0.00 176.35 177.23 1tl4 n GLY 66 N -1.36 -0.69 3.78 -3.19 0.00 -1.26 -4.26 105.19 98.22 1tl4 n GLY 66 Ca -0.14 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.54 4.50 0.00 0.99 0.20 -1.26 -3.61 118.68 115.95 1tl4 s LEU 67 Ca 0.69 1.68 0.00 0.00 0.69 0.00 0.00 54.13 57.19 1tl4 s LEU 67 Cb -0.30 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 41.93 1tl4 s LEU 67 CO 0.55 0.12 0.00 1.21 -0.29 0.00 0.00 176.35 177.93