#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 -0.06 0.07 2.12 0.04 -1.26 -5.02 135.00 130.89 1tl4 s PRO 2 Ca 0.00 0.39 0.09 0.00 0.04 0.00 0.00 61.00 61.52 1tl4 s PRO 2 Cb 0.00 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 1tl4 s PRO 2 CO 0.00 -3.03 -0.24 0.21 0.04 0.00 0.00 177.00 173.98 1tl4 s LYS 3 N -5.03 1.78 -0.29 4.56 2.36 0.11 -4.09 119.74 119.14 1tl4 s LYS 3 Ca 0.67 -1.14 -0.02 0.00 -2.55 0.00 0.00 55.97 52.93 1tl4 s LYS 3 Cb -0.17 -2.03 0.10 0.00 -1.05 0.00 0.00 37.83 34.68 1tl4 s LYS 3 CO 0.58 0.50 0.10 -1.01 1.55 0.00 0.00 175.35 177.07 1tl4 s HIS 4 N -0.92 1.21 -0.04 4.03 3.76 0.36 -2.46 115.29 121.22 1tl4 s HIS 4 Ca 0.14 -1.39 -0.21 0.00 -0.15 0.00 0.00 55.06 53.44 1tl4 s HIS 4 Cb -0.10 -1.40 -0.05 0.00 1.11 0.00 0.00 32.58 32.14 1tl4 s HIS 4 CO 0.04 -0.84 0.61 -2.00 -0.85 0.00 0.00 174.74 171.70 1tl4 s GLU 5 N 1.79 4.36 -0.11 1.40 2.12 -1.26 -0.57 118.70 126.42 1tl4 s GLU 5 Ca 0.09 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.18 1tl4 s GLU 5 Cb -0.17 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1tl4 s GLU 5 CO -0.27 0.23 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.39 1tl4 s PHE 6 N 0.28 2.59 -0.15 5.30 0.40 0.15 -0.71 117.98 125.84 1tl4 s PHE 6 Ca 0.32 -1.15 -0.11 0.00 -0.60 0.00 0.00 56.93 55.39 1tl4 s PHE 6 Cb -0.17 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.57 1tl4 s PHE 6 CO 0.16 -0.49 0.21 0.45 0.70 0.00 0.00 175.22 176.25 1tl4 s SER 7 N 0.52 6.38 0.30 1.36 0.15 0.13 -0.56 113.70 121.97 1tl4 s SER 7 Ca -0.15 0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.97 1tl4 s SER 7 Cb -0.17 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 1tl4 s SER 7 CO 0.05 0.23 0.16 -0.69 1.20 0.00 0.00 173.24 174.19 1tl4 s VAL 8 N -0.09 0.28 -0.37 4.45 1.01 0.31 -0.08 120.40 125.92 1tl4 s VAL 8 Ca 0.14 -2.00 -0.22 0.00 0.00 0.00 0.00 61.98 59.89 1tl4 s VAL 8 Cb -0.12 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1tl4 s VAL 8 CO 0.03 0.00 0.73 -0.62 0.00 0.00 0.00 175.10 175.24 1tl4 s ASP 9 N -3.36 6.50 -0.47 3.32 2.15 -1.26 -4.69 116.67 118.86 1tl4 s ASP 9 Ca 0.36 0.23 0.08 0.00 0.43 0.00 0.00 52.55 53.66 1tl4 s ASP 9 Cb 0.05 -2.37 0.29 0.00 -0.30 0.00 0.00 42.92 40.58 1tl4 s ASP 9 CO 0.18 -0.71 0.68 0.23 -0.17 0.00 0.00 175.17 175.38 1tl4 n MET 10 N 6.33 1.55 0.12 4.34 2.81 -1.26 -4.73 117.12 126.27 1tl4 n MET 10 Ca 0.02 -3.83 0.12 0.00 -1.81 0.00 0.00 57.70 52.20 1tl4 n MET 10 Cb 0.48 -1.71 0.46 0.00 -0.71 0.00 0.00 33.22 31.74 1tl4 n MET 10 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1tl4 n THR 11 N 0.79 0.74 -4.00 2.03 -2.24 -1.26 -4.69 114.28 105.64 1tl4 n THR 11 Ca 0.25 0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.99 1tl4 n THR 11 Cb 0.51 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.70 1tl4 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tl4 n GLY 13 N 0.75 -1.23 0.34 0.00 0.00 -1.26 -1.12 105.19 102.66 1tl4 n GLY 13 Ca -0.18 0.83 0.20 0.00 0.00 0.00 0.00 46.02 46.87 1tl4 n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1tl4 h GLY 14 N 0.00 1.98 0.99 -0.02 0.00 -1.96 0.29 103.07 104.34 1tl4 h GLY 14 Ca 0.44 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 1tl4 h GLY 14 CO -0.80 -0.35 0.04 0.00 0.00 0.00 0.00 176.54 175.44 1tl4 h ALA 16 N 0.95 0.64 -0.11 0.00 0.00 -0.64 0.12 119.26 120.22 1tl4 h ALA 16 Ca 0.15 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1tl4 h ALA 16 Cb 0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1tl4 h ALA 16 CO 0.02 0.41 -0.08 0.93 0.00 0.00 0.00 179.25 180.52 1tl4 h GLU 17 N 0.68 -0.09 -0.03 0.00 5.08 -0.80 0.19 114.58 119.61 1tl4 h GLU 17 Ca 0.14 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1tl4 h GLU 17 Cb 0.45 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1tl4 h GLU 17 CO 0.02 -0.06 -0.14 0.00 -1.00 0.00 0.00 179.01 177.82 1tl4 h ALA 18 N 1.00 -0.14 -0.44 3.43 0.00 -0.59 0.15 119.26 122.67 1tl4 h ALA 18 Ca 0.07 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1tl4 h ALA 18 Cb 0.19 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1tl4 h ALA 18 CO -0.17 -0.63 -0.00 0.28 0.00 0.00 0.00 179.25 178.73 1tl4 h VAL 19 N -0.22 0.66 -0.37 0.00 2.07 -0.50 0.03 116.25 117.91 1tl4 h VAL 19 Ca 0.06 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1tl4 h VAL 19 Cb 0.31 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1tl4 h VAL 19 CO -0.17 0.02 0.12 -1.28 0.02 0.00 0.00 177.57 176.29 1tl4 h SER 20 N 0.11 0.12 -0.53 0.57 0.87 0.07 0.20 113.55 114.97 1tl4 h SER 20 Ca 0.22 0.04 0.10 0.00 -1.23 0.00 0.00 61.79 60.92 1tl4 h SER 20 Cb 0.32 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 1tl4 h SER 20 CO -0.37 0.11 0.05 -0.09 -0.53 0.00 0.00 176.83 176.00 1tl4 h ARG 21 N 0.27 0.17 -0.12 2.24 2.43 -0.27 0.29 114.38 119.39 1tl4 h ARG 21 Ca 0.17 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1tl4 h ARG 21 Cb 0.15 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1tl4 h ARG 21 CO -0.18 0.11 0.06 -0.24 -1.51 0.00 0.00 179.97 178.21 1tl4 h VAL 22 N 0.17 1.11 -0.07 0.20 3.04 0.82 -0.71 116.25 120.80 1tl4 h VAL 22 Ca 0.27 -0.31 -0.23 0.00 -1.01 0.00 0.00 66.70 65.42 1tl4 h VAL 22 Cb 0.40 1.10 0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1tl4 h VAL 22 CO -0.40 0.10 -0.87 -0.07 -1.01 0.00 0.00 177.57 175.32 1tl4 h LEU 23 N 0.08 0.80 -0.76 3.16 3.38 -0.49 -2.10 115.31 119.37 1tl4 h LEU 23 Ca 0.04 -0.58 0.09 0.00 0.09 0.00 0.00 57.88 57.53 1tl4 h LEU 23 Cb 0.10 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 1tl4 h LEU 23 CO -0.01 1.37 0.41 -1.13 0.09 0.00 0.00 178.44 179.17 1tl4 h ASN 24 N 0.41 0.57 -0.02 -0.43 -0.00 -0.36 0.76 115.58 116.51 1tl4 h ASN 24 Ca -0.08 0.05 0.01 0.00 -0.00 0.00 0.00 56.30 56.28 1tl4 h ASN 24 Cb 1.50 -0.05 -0.00 0.00 -0.00 0.00 0.00 38.32 39.77 1tl4 h ASN 24 CO 0.17 0.32 0.02 0.11 -0.00 0.00 0.00 177.43 178.05 1tl4 h LYS 25 N 0.70 0.00 0.41 6.67 1.79 -0.61 -0.77 116.57 124.75 1tl4 h LYS 25 Ca 0.37 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.83 1tl4 h LYS 25 Cb 0.36 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1tl4 h LYS 25 CO -0.26 0.00 -0.31 1.25 -1.08 0.00 0.00 179.45 179.05 1tl4 h LEU 26 N 0.00 -0.81 0.00 2.94 7.12 -0.23 -3.49 115.31 120.85 1tl4 h LEU 26 Ca 0.01 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1tl4 h LEU 26 Cb 0.05 0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 1tl4 h LEU 26 CO -0.00 -0.46 0.00 0.61 -0.13 0.00 0.00 178.44 178.46 1tl4 n GLY 27 N -1.44 1.94 1.50 3.75 0.00 -0.30 -4.89 105.19 105.75 1tl4 n GLY 27 Ca -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 2.48 3.96 -0.02 0.00 -1.26 -4.82 105.19 105.52 1tl4 n GLY 28 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.02 5.23 0.02 1.61 -7.23 -1.26 -4.74 120.40 114.04 1tl4 s VAL 29 Ca 0.00 -0.78 0.06 0.00 -1.81 0.00 0.00 61.98 59.44 1tl4 s VAL 29 Cb 0.00 -3.84 -0.02 0.00 0.56 0.00 0.00 36.38 33.08 1tl4 s VAL 29 CO 0.00 -0.34 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.52 1tl4 s LYS 30 N -3.92 1.24 -0.15 4.82 2.36 -1.11 -5.02 119.74 117.96 1tl4 s LYS 30 Ca 0.36 -0.78 -0.07 0.00 -2.55 0.00 0.00 55.97 52.92 1tl4 s LYS 30 Cb -0.10 -1.28 0.06 0.00 -1.05 0.00 0.00 37.83 35.47 1tl4 s LYS 30 CO 0.31 0.33 0.35 1.52 1.55 0.00 0.00 175.35 179.41 1tl4 s TYR 31 N -0.69 -0.54 0.11 4.03 1.13 -1.26 -0.77 117.35 119.36 1tl4 s TYR 31 Ca 0.05 1.15 0.01 0.00 -1.41 0.00 0.00 57.07 56.88 1tl4 s TYR 31 Cb -0.08 0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.92 1tl4 s TYR 31 CO 0.01 -0.34 0.25 0.34 -2.51 0.00 0.00 175.55 173.30 1tl4 s ASP 32 N 1.66 6.35 -0.19 -0.18 2.15 0.07 -4.92 116.67 121.61 1tl4 s ASP 32 Ca -0.07 0.24 -0.03 0.00 0.43 0.00 0.00 52.55 53.12 1tl4 s ASP 32 Cb -0.10 -1.94 0.06 0.00 -0.30 0.00 0.00 42.92 40.64 1tl4 s ASP 32 CO -0.11 0.11 0.03 -0.63 -0.17 0.00 0.00 175.17 174.40 1tl4 s ILE 33 N -1.63 0.59 -0.30 4.11 1.01 -1.26 -0.53 121.20 123.19 1tl4 s ILE 33 Ca 0.35 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1tl4 s ILE 33 Cb -0.12 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.28 1tl4 s ILE 33 CO 0.28 -0.19 0.09 -0.62 0.00 0.00 0.00 174.94 174.50 1tl4 s ASP 34 N 1.83 5.20 -0.08 3.58 -1.08 0.09 -5.00 116.67 121.21 1tl4 s ASP 34 Ca -0.01 -0.74 -0.08 0.00 -0.52 0.00 0.00 52.55 51.20 1tl4 s ASP 34 Cb -0.17 -1.89 -0.05 0.00 -1.46 0.00 0.00 42.92 39.34 1tl4 s ASP 34 CO -0.08 -0.21 0.31 -0.07 0.52 0.00 0.00 175.17 175.64 1tl4 h LEU 35 N 8.25 -0.17 -0.90 -1.34 -0.00 -1.88 0.12 115.31 119.39 1tl4 h LEU 35 Ca -0.30 -0.07 0.26 0.00 -0.00 0.00 0.00 57.88 57.77 1tl4 h LEU 35 Cb 1.12 0.04 -0.17 0.00 -0.00 0.00 0.00 40.66 41.66 1tl4 h LEU 35 CO 0.61 0.34 0.07 -2.65 -0.00 0.00 0.00 178.44 176.80 1tl4 n PRO 36 N -4.90 -0.07 -0.03 1.13 -0.02 -1.26 -0.53 135.00 129.32 1tl4 n PRO 36 Ca -0.03 1.34 0.12 0.00 -2.02 0.00 0.00 63.50 62.91 1tl4 n PRO 36 Cb 0.11 -2.16 0.14 0.00 -0.02 0.00 0.00 33.50 31.57 1tl4 n PRO 36 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1tl4 n ASN 37 N -5.30 3.01 -3.68 2.55 2.85 -1.26 -5.01 115.26 108.42 1tl4 n ASN 37 Ca 0.23 -1.98 -0.25 0.00 -0.11 0.00 0.00 54.58 52.47 1tl4 n ASN 37 Cb 0.74 -0.04 0.01 0.00 1.24 0.00 0.00 39.78 41.74 1tl4 n ASN 37 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1tl4 n LYS 38 N 1.32 -1.23 -3.85 1.20 4.01 0.32 -4.79 118.16 115.14 1tl4 n LYS 38 Ca 0.15 0.72 -0.11 0.00 -0.51 0.00 0.00 58.31 58.55 1tl4 n LYS 38 Cb 0.59 -3.38 -0.10 0.00 -0.51 0.00 0.00 35.03 31.63 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 -5.22 0.45 -0.21 1.97 1.02 0.33 -0.53 119.74 117.56 1tl4 s LYS 39 Ca 0.19 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.90 1tl4 s LYS 39 Cb -0.08 0.19 0.05 0.00 -0.52 0.00 0.00 37.83 37.47 1tl4 s LYS 39 CO 0.87 -0.10 -0.06 0.08 -0.92 0.00 0.00 175.35 175.22 1tl4 s VAL 40 N -1.14 1.42 -0.66 3.17 1.01 0.28 -0.73 120.40 123.75 1tl4 s VAL 40 Ca -0.12 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 1tl4 s VAL 40 Cb -0.06 -1.63 0.14 0.00 0.00 0.00 0.00 36.38 34.83 1tl4 s VAL 40 CO 0.02 0.02 0.68 0.00 0.00 0.00 0.00 175.10 175.81 1tl4 s ILE 42 N 1.65 3.97 -0.23 0.00 1.01 0.26 -0.75 121.20 127.11 1tl4 s ILE 42 Ca 0.11 1.94 -0.03 0.00 0.00 0.00 0.00 60.65 62.67 1tl4 s ILE 42 Cb -0.21 -4.21 0.12 0.00 0.01 0.00 0.00 42.46 38.17 1tl4 s ILE 42 CO 0.00 0.42 0.35 -0.70 0.00 0.00 0.00 174.94 175.01 1tl4 s GLU 43 N -1.36 0.31 0.39 2.79 -6.30 0.05 -0.49 118.70 114.10 1tl4 s GLU 43 Ca 0.43 0.51 -0.13 0.00 -2.50 0.00 0.00 54.97 53.28 1tl4 s GLU 43 Cb -0.26 -0.55 0.05 0.00 0.00 0.00 0.00 34.13 33.37 1tl4 s GLU 43 CO 0.33 -0.61 0.75 0.45 0.02 0.00 0.00 175.26 176.20 1tl4 s SER 44 N 2.51 0.19 -1.26 -1.70 0.15 -1.26 -2.76 113.70 109.56 1tl4 s SER 44 Ca 0.11 -1.26 -0.05 0.00 0.70 0.00 0.00 55.95 55.44 1tl4 s SER 44 Cb -0.15 0.84 0.11 0.00 -1.71 0.00 0.00 66.02 65.11 1tl4 s SER 44 CO -0.15 -1.67 2.44 -1.84 1.20 0.00 0.00 173.24 173.22 1tl4 n GLU 45 N -0.55 4.41 -4.28 5.44 0.28 -1.26 0.29 120.64 124.97 1tl4 n GLU 45 Ca -0.07 -3.33 -0.20 0.00 -0.16 0.00 0.00 57.16 53.39 1tl4 n GLU 45 Cb 0.60 -2.60 -0.11 0.00 1.43 0.00 0.00 31.44 30.76 1tl4 n GLU 45 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1tl4 s HIS 46 N -1.09 1.60 0.12 -1.84 3.76 -1.26 -5.04 115.29 111.54 1tl4 s HIS 46 Ca 0.55 -0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 54.66 1tl4 s HIS 46 Cb 0.20 -0.83 -0.07 0.00 1.11 0.00 0.00 32.58 32.99 1tl4 s HIS 46 CO -0.10 0.22 1.14 -1.54 -0.85 0.00 0.00 174.74 173.60 1tl4 s SER 47 N -2.41 7.19 0.26 1.40 1.04 -1.26 -4.96 113.70 114.96 1tl4 s SER 47 Ca 0.10 2.04 -0.03 0.00 0.48 0.00 0.00 55.95 58.54 1tl4 s SER 47 Cb -0.06 -2.59 0.53 0.00 0.10 0.00 0.00 66.02 63.99 1tl4 s SER 47 CO 0.04 -0.33 1.66 0.00 0.98 0.00 0.00 173.24 175.60 1tl4 h MET 48 N 5.89 0.21 -0.78 4.02 -0.00 -1.99 -0.93 114.93 121.36 1tl4 h MET 48 Ca -0.43 -0.01 0.08 0.00 -0.00 0.00 0.00 59.70 59.34 1tl4 h MET 48 Cb 1.21 -0.05 -0.10 0.00 -0.00 0.00 0.00 31.60 32.67 1tl4 h MET 48 CO 0.76 0.14 -0.44 -3.47 -0.00 0.00 0.00 176.91 173.91 1tl4 n ASP 49 N -5.22 -0.78 -0.01 -0.10 2.03 -1.26 0.11 116.55 111.32 1tl4 n ASP 49 Ca 0.16 1.39 -0.08 0.00 0.52 0.00 0.00 54.79 56.78 1tl4 n ASP 49 Cb 0.53 -0.20 0.08 0.00 -0.72 0.00 0.00 41.12 40.80 1tl4 n ASP 49 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1tl4 h THR 50 N 0.00 1.30 0.47 5.18 2.02 -1.57 -0.06 112.91 120.26 1tl4 h THR 50 Ca 0.15 -1.64 -0.02 0.00 0.77 0.00 0.00 66.41 65.67 1tl4 h THR 50 Cb 0.34 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1tl4 h THR 50 CO -0.74 0.52 -0.23 -0.07 0.37 0.00 0.00 175.52 175.37 1tl4 h LEU 51 N 0.48 -0.54 -0.36 2.58 -0.00 -1.07 -2.94 115.31 113.47 1tl4 h LEU 51 Ca 0.03 0.02 0.03 0.00 -0.00 0.00 0.00 57.88 57.96 1tl4 h LEU 51 Cb 0.97 0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 41.72 1tl4 h LEU 51 CO 0.09 -0.30 -0.21 0.18 -0.00 0.00 0.00 178.44 178.20 1tl4 n LEU 52 N -4.16 -0.38 0.29 1.67 4.32 0.12 0.19 117.00 119.05 1tl4 n LEU 52 Ca -0.08 1.07 0.15 0.00 -0.02 0.00 0.00 56.01 57.13 1tl4 n LEU 52 Cb 0.25 -0.30 0.89 0.00 -1.62 0.00 0.00 43.42 42.64 1tl4 n LEU 52 CO 0.19 -0.74 1.11 0.00 -1.22 0.00 0.00 177.39 176.73 1tl4 h ALA 53 N -0.26 1.53 0.14 -1.18 0.00 -1.12 0.19 119.26 118.55 1tl4 h ALA 53 Ca 0.06 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1tl4 h ALA 53 Cb 0.15 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1tl4 h ALA 53 CO -0.33 0.01 -0.96 1.15 0.00 0.00 0.00 179.25 179.12 1tl4 h THR 54 N 0.00 1.40 -0.80 0.00 2.02 -0.50 -3.31 112.91 111.73 1tl4 h THR 54 Ca -0.00 -2.51 -0.03 0.00 0.77 0.00 0.00 66.41 64.64 1tl4 h THR 54 Cb 0.03 3.08 -0.04 0.00 -1.74 0.00 0.00 68.15 69.48 1tl4 h THR 54 CO 0.00 0.71 0.36 -0.07 0.37 0.00 0.00 175.52 176.90 1tl4 h LEU 55 N -0.36 1.06 -1.92 2.58 3.38 0.68 -0.17 115.31 120.56 1tl4 h LEU 55 Ca -0.18 -0.15 0.39 0.00 0.09 0.00 0.00 57.88 58.03 1tl4 h LEU 55 Cb 1.67 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 1tl4 h LEU 55 CO 0.13 0.91 0.96 0.11 0.09 0.00 0.00 178.44 180.63 1tl4 h LYS 56 N 1.14 0.03 0.00 1.13 1.57 -0.80 -1.32 116.57 118.32 1tl4 h LYS 56 Ca 0.27 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1tl4 h LYS 56 Cb 0.15 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1tl4 h LYS 56 CO -0.03 0.02 -0.01 0.87 -0.57 0.00 0.00 179.45 179.73 1tl4 h LYS 57 N 0.04 0.00 -0.17 3.15 1.57 -1.10 0.24 116.57 120.30 1tl4 h LYS 57 Ca 0.66 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.34 1tl4 h LYS 57 Cb 2.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.83 1tl4 h LYS 57 CO -0.05 0.01 -0.34 1.79 -0.57 0.00 0.00 179.45 180.29 1tl4 h THR 58 N 0.00 1.28 -4.06 -0.16 1.35 -1.40 -3.47 112.91 106.45 1tl4 h THR 58 Ca -0.00 -1.38 -0.38 0.00 -0.55 0.00 0.00 66.41 64.10 1tl4 h THR 58 Cb 0.10 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1tl4 h THR 58 CO 0.00 0.42 -0.53 0.61 -0.25 0.00 0.00 175.52 175.78 1tl4 n GLY 59 N -0.29 -0.51 2.49 5.82 0.00 0.84 -5.02 105.19 108.52 1tl4 n GLY 59 Ca -0.01 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.47 -2.01 -0.70 1.61 4.76 -1.26 -4.89 118.16 112.21 1tl4 n LYS 60 Ca -0.15 -1.27 -0.09 0.00 -2.87 0.00 0.00 58.31 53.93 1tl4 n LYS 60 Cb 0.63 -1.07 -0.11 0.00 -1.84 0.00 0.00 35.03 32.63 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 -3.87 2.10 -2.46 -0.18 -1.04 -1.26 -4.86 114.28 102.71 1tl4 n THR 61 Ca 0.11 -1.07 -0.38 0.00 -2.04 0.00 0.00 64.05 60.67 1tl4 n THR 61 Cb 0.40 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 67.01 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 1.71 3.83 -0.43 12.58 0.11 -1.26 -4.06 120.40 132.88 1tl4 s VAL 62 Ca 0.46 -0.71 -0.17 0.00 -2.93 0.00 0.00 61.98 58.64 1tl4 s VAL 62 Cb 0.21 -4.85 0.03 0.00 -1.53 0.00 0.00 36.38 30.24 1tl4 s VAL 62 CO -0.00 -1.74 0.41 -0.44 -3.33 0.00 0.00 175.10 170.00 1tl4 s SER 63 N 5.57 6.17 0.06 3.54 0.01 0.89 -4.96 113.70 124.99 1tl4 s SER 63 Ca 0.51 -0.81 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 1tl4 s SER 63 Cb -0.01 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 1tl4 s SER 63 CO -0.08 -0.58 1.02 -0.47 0.41 0.00 0.00 173.24 173.54 1tl4 s TYR 64 N 2.01 3.66 0.72 2.43 5.04 -1.26 -0.69 117.35 129.26 1tl4 s TYR 64 Ca 0.10 1.66 -0.08 0.00 -2.44 0.00 0.00 57.07 56.31 1tl4 s TYR 64 Cb -0.18 -3.16 0.16 0.00 0.35 0.00 0.00 41.96 39.12 1tl4 s TYR 64 CO 0.12 -0.20 0.99 1.28 -1.34 0.00 0.00 175.55 176.40 1tl4 n LEU 65 N 3.43 0.00 0.00 6.97 4.32 0.11 -4.95 117.00 126.88 1tl4 n LEU 65 Ca 0.05 -1.47 -0.23 0.00 -0.02 0.00 0.00 56.01 54.33 1tl4 n LEU 65 Cb 0.49 -0.71 0.22 0.00 -1.62 0.00 0.00 43.42 41.80 1tl4 n LEU 65 CO 0.52 -1.12 0.33 0.61 -1.22 0.00 0.00 177.39 176.52 1tl4 n GLY 66 N -1.88 -3.56 3.77 -0.72 0.00 -1.26 -4.78 105.19 96.76 1tl4 n GLY 66 Ca 0.14 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 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 4.35 0.00 0.99 2.96 -1.26 -4.47 118.68 121.25 1tl4 s LEU 67 Ca 0.53 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 1tl4 s LEU 67 Cb -0.08 -3.96 0.00 0.00 0.50 0.00 0.00 46.19 42.65 1tl4 s LEU 67 CO 0.43 -0.17 0.00 1.21 -1.32 0.00 0.00 176.35 176.50