#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 2.23 -0.70 0.03 0.04 -1.26 -4.92 135.00 130.41 1tl4 s PRO 2 Ca 0.00 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 1tl4 s PRO 2 Cb 0.00 -4.54 0.13 0.00 0.04 0.00 0.00 34.50 30.13 1tl4 s PRO 2 CO 0.00 -3.14 0.81 -1.59 0.04 0.00 0.00 177.00 173.12 1tl4 s LYS 3 N 7.97 3.25 -0.52 4.56 -2.85 0.13 -3.24 119.74 129.06 1tl4 s LYS 3 Ca 0.92 -1.59 -0.28 0.00 -1.00 0.00 0.00 55.97 54.01 1tl4 s LYS 3 Cb -0.17 -4.43 0.02 0.00 -2.06 0.00 0.00 37.83 31.20 1tl4 s LYS 3 CO 0.25 -1.56 1.30 -1.01 0.10 0.00 0.00 175.35 174.43 1tl4 s HIS 4 N 2.31 2.50 0.03 1.78 3.76 0.36 -3.32 115.29 122.71 1tl4 s HIS 4 Ca 0.17 0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 55.33 1tl4 s HIS 4 Cb -0.18 -4.42 -0.04 0.00 1.11 0.00 0.00 32.58 29.05 1tl4 s HIS 4 CO 0.01 -1.73 0.99 -2.00 -0.85 0.00 0.00 174.74 171.16 1tl4 s GLU 5 N 5.02 4.58 -0.10 1.40 2.12 -1.25 -0.60 118.70 129.87 1tl4 s GLU 5 Ca 0.51 1.45 0.03 0.00 0.36 0.00 0.00 54.97 57.32 1tl4 s GLU 5 Cb -0.10 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.86 1tl4 s GLU 5 CO 0.28 -0.00 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.71 1tl4 s PHE 6 N 0.79 2.59 -0.17 5.30 0.40 0.25 -0.55 117.98 126.59 1tl4 s PHE 6 Ca 0.51 -0.99 -0.18 0.00 -0.60 0.00 0.00 56.93 55.67 1tl4 s PHE 6 Cb -0.22 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1tl4 s PHE 6 CO 0.29 -0.39 0.50 0.45 0.70 0.00 0.00 175.22 176.76 1tl4 s SER 7 N 0.33 6.60 -0.14 1.36 0.15 -0.12 -0.30 113.70 121.58 1tl4 s SER 7 Ca -0.18 0.72 -0.01 0.00 0.70 0.00 0.00 55.95 57.18 1tl4 s SER 7 Cb -0.18 -2.29 0.04 0.00 -1.71 0.00 0.00 66.02 61.89 1tl4 s SER 7 CO 0.08 -0.11 -0.03 -0.69 1.20 0.00 0.00 173.24 173.70 1tl4 s VAL 8 N 1.23 0.85 -0.84 4.45 1.01 0.33 -1.28 120.40 126.15 1tl4 s VAL 8 Ca 0.24 -0.41 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1tl4 s VAL 8 Cb -0.15 -1.05 -0.21 0.00 0.00 0.00 0.00 36.38 34.96 1tl4 s VAL 8 CO 0.10 0.13 1.92 -0.67 0.00 0.00 0.00 175.10 176.58 1tl4 n ASP 9 N 4.97 2.00 -4.37 3.32 2.03 0.03 -3.98 116.55 120.55 1tl4 n ASP 9 Ca -0.10 -2.59 -0.45 0.00 0.52 0.00 0.00 54.79 52.16 1tl4 n ASP 9 Cb 0.48 -1.37 -0.04 0.00 -0.72 0.00 0.00 41.12 39.48 1tl4 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tl4 s MET 10 N 6.98 3.28 0.15 -0.67 0.23 -1.26 -4.55 119.30 123.46 1tl4 s MET 10 Ca 0.71 -1.72 0.00 0.00 -1.03 0.00 0.00 55.69 53.66 1tl4 s MET 10 Cb 0.04 -4.43 -0.06 0.00 -1.53 0.00 0.00 34.83 28.85 1tl4 s MET 10 CO 0.19 -1.51 1.33 1.15 -2.03 0.00 0.00 175.02 174.16 1tl4 h THR 11 N 5.62 1.48 -4.34 3.16 2.02 -1.91 -3.44 112.91 115.51 1tl4 h THR 11 Ca -0.11 -2.66 -0.18 0.00 0.77 0.00 0.00 66.41 64.23 1tl4 h THR 11 Cb 1.06 2.52 -0.14 0.00 -1.74 0.00 0.00 68.15 69.85 1tl4 h THR 11 CO 1.01 0.78 -0.55 0.00 0.37 0.00 0.00 175.52 177.13 1tl4 h GLY 13 N 2.70 1.03 0.41 0.00 0.00 -1.99 0.45 103.07 105.68 1tl4 h GLY 13 Ca -0.34 0.19 0.18 0.00 0.00 0.00 0.00 47.33 47.36 1tl4 h GLY 13 CO 0.54 -0.44 0.57 -1.33 0.00 0.00 0.00 176.54 175.89 1tl4 h GLY 14 N 0.03 0.92 1.02 4.60 0.00 -1.98 0.28 103.07 107.93 1tl4 h GLY 14 Ca 0.53 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 1tl4 h GLY 14 CO -0.90 0.02 0.01 0.00 0.00 0.00 0.00 176.54 175.67 1tl4 h ALA 16 N 0.94 0.77 -0.28 0.00 0.00 -0.57 0.13 119.26 120.25 1tl4 h ALA 16 Ca 0.15 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1tl4 h ALA 16 Cb 0.51 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1tl4 h ALA 16 CO 0.03 0.37 -0.04 0.93 0.00 0.00 0.00 179.25 180.53 1tl4 h GLU 17 N 0.82 0.03 -0.04 0.00 5.08 -0.88 0.14 114.58 119.74 1tl4 h GLU 17 Ca 0.20 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1tl4 h GLU 17 Cb 0.17 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1tl4 h GLU 17 CO -0.02 0.02 -0.11 0.00 -1.00 0.00 0.00 179.01 177.90 1tl4 h ALA 18 N 1.26 -0.09 -0.41 3.43 0.00 -0.50 0.00 119.26 122.94 1tl4 h ALA 18 Ca 0.13 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1tl4 h ALA 18 Cb 0.19 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1tl4 h ALA 18 CO -0.26 -0.59 -0.06 0.28 0.00 0.00 0.00 179.25 178.62 1tl4 h VAL 19 N -0.17 0.63 -0.09 0.00 2.07 -0.43 0.08 116.25 118.34 1tl4 h VAL 19 Ca 0.05 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1tl4 h VAL 19 Cb 0.25 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1tl4 h VAL 19 CO -0.14 0.01 -0.09 -1.28 0.02 0.00 0.00 177.57 176.09 1tl4 h SER 20 N 0.04 -0.27 -0.57 0.57 0.87 -0.25 0.10 113.55 114.04 1tl4 h SER 20 Ca 0.20 0.05 0.12 0.00 -1.23 0.00 0.00 61.79 60.93 1tl4 h SER 20 Cb 0.30 0.14 -0.10 0.00 -0.44 0.00 0.00 62.40 62.30 1tl4 h SER 20 CO -0.39 -0.12 -0.01 -0.09 -0.53 0.00 0.00 176.83 175.69 1tl4 h ARG 21 N -0.11 0.11 0.36 2.24 2.43 -0.44 0.22 114.38 119.18 1tl4 h ARG 21 Ca 0.07 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1tl4 h ARG 21 Cb 0.20 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1tl4 h ARG 21 CO -0.16 0.07 -0.17 0.28 -1.51 0.00 0.00 179.97 178.49 1tl4 h VAL 22 N 0.11 0.66 -0.54 0.20 2.07 0.27 -0.74 116.25 118.27 1tl4 h VAL 22 Ca 0.30 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.66 1tl4 h VAL 22 Cb 0.47 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1tl4 h VAL 22 CO -0.49 0.02 0.04 -0.07 0.02 0.00 0.00 177.57 177.08 1tl4 h LEU 23 N -0.52 0.90 -0.59 2.57 3.38 -0.54 -2.11 115.31 118.41 1tl4 h LEU 23 Ca -0.05 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.69 1tl4 h LEU 23 Cb 0.39 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1tl4 h LEU 23 CO 0.08 0.97 0.30 -1.13 0.09 0.00 0.00 178.44 178.75 1tl4 h ASN 24 N 0.81 0.44 -0.46 -0.43 -0.73 -0.46 -1.39 115.58 113.35 1tl4 h ASN 24 Ca 0.16 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 1tl4 h ASN 24 Cb 0.48 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.00 1tl4 h ASN 24 CO 0.02 0.29 0.28 0.11 -0.37 0.00 0.00 177.43 177.75 1tl4 h LYS 25 N 0.57 0.65 0.02 6.67 6.56 -0.48 -0.36 116.57 130.21 1tl4 h LYS 25 Ca 0.26 -0.06 0.02 0.00 -1.06 0.00 0.00 60.65 59.82 1tl4 h LYS 25 Cb 0.18 -0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 31.67 1tl4 h LYS 25 CO -0.18 0.47 -0.15 1.25 -2.06 0.00 0.00 179.45 178.78 1tl4 h LEU 26 N 0.66 -0.44 0.00 2.94 7.12 -0.90 -3.49 115.31 121.21 1tl4 h LEU 26 Ca 0.17 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.25 1tl4 h LEU 26 Cb -0.00 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 1tl4 h LEU 26 CO -0.03 -0.21 0.00 0.61 -0.13 0.00 0.00 178.44 178.68 1tl4 n GLY 27 N -1.28 1.59 2.00 3.75 0.00 -0.15 -4.97 105.19 106.14 1tl4 n GLY 27 Ca -0.05 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 3.22 3.44 -0.02 0.00 -1.26 -4.75 105.19 105.82 1tl4 n GLY 28 Ca 0.00 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 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 0.09 2.75 0.02 1.61 -7.23 -1.26 -4.70 120.40 111.69 1tl4 s VAL 29 Ca 0.53 -1.11 0.04 0.00 -1.81 0.00 0.00 61.98 59.63 1tl4 s VAL 29 Cb 0.28 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 1tl4 s VAL 29 CO -0.04 0.40 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.50 1tl4 s LYS 30 N -1.24 0.82 -0.22 4.82 -0.14 -1.24 -4.95 119.74 117.58 1tl4 s LYS 30 Ca 0.14 -0.62 -0.14 0.00 -1.36 0.00 0.00 55.97 53.99 1tl4 s LYS 30 Cb -0.10 -0.79 0.07 0.00 -1.68 0.00 0.00 37.83 35.33 1tl4 s LYS 30 CO 0.04 0.20 0.55 1.52 -0.76 0.00 0.00 175.35 176.89 1tl4 s TYR 31 N -0.71 -0.79 0.36 3.18 1.13 -1.26 -0.57 117.35 118.69 1tl4 s TYR 31 Ca 0.01 1.67 -0.15 0.00 -1.41 0.00 0.00 57.07 57.18 1tl4 s TYR 31 Cb -0.07 0.41 -0.09 0.00 -1.10 0.00 0.00 41.96 41.11 1tl4 s TYR 31 CO 0.01 -0.41 0.79 0.34 -2.51 0.00 0.00 175.55 173.77 1tl4 s ASP 32 N 1.31 6.75 -0.35 -0.18 2.15 -0.51 -4.88 116.67 120.96 1tl4 s ASP 32 Ca -0.08 1.34 -0.00 0.00 0.43 0.00 0.00 52.55 54.24 1tl4 s ASP 32 Cb -0.06 -2.40 0.12 0.00 -0.30 0.00 0.00 42.92 40.27 1tl4 s ASP 32 CO -0.13 -0.28 0.16 -0.63 -0.17 0.00 0.00 175.17 174.11 1tl4 s ILE 33 N -2.11 0.84 -0.64 4.11 1.01 -1.26 -0.86 121.20 122.29 1tl4 s ILE 33 Ca 0.55 -1.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.27 1tl4 s ILE 33 Cb -0.10 -1.62 0.08 0.00 0.01 0.00 0.00 42.46 40.82 1tl4 s ILE 33 CO 0.20 -0.79 0.90 -0.62 0.00 0.00 0.00 174.94 174.63 1tl4 s ASP 34 N 1.22 6.18 -0.03 3.58 -1.08 0.63 -4.92 116.67 122.26 1tl4 s ASP 34 Ca 0.13 -1.05 -0.20 0.00 -0.52 0.00 0.00 52.55 50.91 1tl4 s ASP 34 Cb -0.20 -2.39 -0.13 0.00 -1.46 0.00 0.00 42.92 38.74 1tl4 s ASP 34 CO -0.15 -1.36 0.85 -0.07 0.52 0.00 0.00 175.17 174.97 1tl4 h LEU 35 N 11.02 -0.38 -1.15 -1.34 3.38 -1.92 0.11 115.31 125.04 1tl4 h LEU 35 Ca -0.29 -0.14 0.19 0.00 0.09 0.00 0.00 57.88 57.73 1tl4 h LEU 35 Cb 1.07 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 1tl4 h LEU 35 CO 1.16 0.08 0.61 1.55 0.09 0.00 0.00 178.44 181.93 1tl4 h PRO 36 N -0.99 0.67 -0.57 1.13 0.13 -1.91 -0.65 132.00 129.81 1tl4 h PRO 36 Ca -0.05 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1tl4 h PRO 36 Cb 0.50 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1tl4 h PRO 36 CO 0.07 0.44 0.00 0.09 -0.23 0.00 0.00 178.00 178.38 1tl4 n ASN 37 N -4.68 3.70 -3.37 1.44 3.02 -1.24 -5.00 115.26 109.14 1tl4 n ASN 37 Ca 0.22 -2.00 -0.18 0.00 -0.03 0.00 0.00 54.58 52.59 1tl4 n ASN 37 Cb 0.59 -0.38 0.07 0.00 -0.61 0.00 0.00 39.78 39.45 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 1.57 -3.08 -3.77 3.52 4.01 -0.22 -4.90 118.16 115.30 1tl4 n LYS 38 Ca 0.22 0.80 -0.13 0.00 -0.51 0.00 0.00 58.31 58.69 1tl4 n LYS 38 Cb 0.61 -5.59 -0.11 0.00 -0.51 0.00 0.00 35.03 29.44 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 -4.86 0.40 -0.10 1.97 1.02 0.21 -0.51 119.74 117.87 1tl4 s LYS 39 Ca 0.35 0.29 0.01 0.00 0.02 0.00 0.00 55.97 56.64 1tl4 s LYS 39 Cb -0.06 0.19 0.02 0.00 -0.52 0.00 0.00 37.83 37.46 1tl4 s LYS 39 CO 0.76 -0.07 -0.11 0.08 -0.92 0.00 0.00 175.35 175.09 1tl4 s VAL 40 N -0.14 1.18 -0.45 3.17 1.01 0.59 -0.27 120.40 125.49 1tl4 s VAL 40 Ca -0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1tl4 s VAL 40 Cb -0.03 -1.13 0.12 0.00 0.00 0.00 0.00 36.38 35.34 1tl4 s VAL 40 CO 0.01 0.38 0.29 0.00 0.00 0.00 0.00 175.10 175.79 1tl4 s ILE 42 N 1.22 4.91 -0.73 0.00 1.01 0.23 -1.43 121.20 126.42 1tl4 s ILE 42 Ca 0.07 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 1tl4 s ILE 42 Cb -0.25 -4.23 0.19 0.00 0.01 0.00 0.00 42.46 38.18 1tl4 s ILE 42 CO -0.02 -0.70 0.67 -0.70 0.00 0.00 0.00 174.94 174.19 1tl4 s GLU 43 N 2.54 3.37 0.21 2.79 -6.30 0.26 -0.48 118.70 121.09 1tl4 s GLU 43 Ca 0.15 -2.25 -0.20 0.00 -2.50 0.00 0.00 54.97 50.18 1tl4 s GLU 43 Cb -0.18 -4.35 0.04 0.00 0.00 0.00 0.00 34.13 29.63 1tl4 s GLU 43 CO 0.13 -1.29 0.60 -1.54 0.02 0.00 0.00 175.26 173.18 1tl4 s SER 44 N 2.50 -0.34 0.00 -1.70 1.04 -1.20 -3.72 113.70 110.28 1tl4 s SER 44 Ca 0.14 -0.41 0.30 0.00 0.48 0.00 0.00 55.95 56.46 1tl4 s SER 44 Cb -0.16 0.63 1.48 0.00 0.10 0.00 0.00 66.02 68.07 1tl4 s SER 44 CO -0.05 -1.13 2.03 -1.84 0.98 0.00 0.00 173.24 173.23 1tl4 n GLU 45 N -0.39 0.43 -1.91 4.02 0.28 -1.26 -4.67 120.64 117.14 1tl4 n GLU 45 Ca -0.10 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.16 56.47 1tl4 n GLU 45 Cb 0.62 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.98 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 -2.58 2.82 0.65 -1.84 3.76 -1.26 -4.96 115.29 111.88 1tl4 s HIS 46 Ca 0.28 1.11 -0.17 0.00 -0.15 0.00 0.00 55.06 56.13 1tl4 s HIS 46 Cb 0.20 -3.91 -0.00 0.00 1.11 0.00 0.00 32.58 29.98 1tl4 s HIS 46 CO 0.47 -2.79 1.24 0.45 -0.85 0.00 0.00 174.74 173.26 1tl4 s SER 47 N 0.02 4.67 0.37 1.40 0.15 -1.26 -4.79 113.70 114.26 1tl4 s SER 47 Ca 0.55 2.47 0.10 0.00 0.70 0.00 0.00 55.95 59.78 1tl4 s SER 47 Cb -0.44 -2.60 0.86 0.00 -1.71 0.00 0.00 66.02 62.13 1tl4 s SER 47 CO 0.53 -1.95 1.89 0.00 1.20 0.00 0.00 173.24 174.91 1tl4 h MET 48 N 0.41 0.62 -0.06 5.44 -0.00 -1.96 -0.34 114.93 119.03 1tl4 h MET 48 Ca -0.50 -0.04 0.02 0.00 -0.00 0.00 0.00 59.70 59.19 1tl4 h MET 48 Cb 1.31 -0.14 -0.06 0.00 -0.00 0.00 0.00 31.60 32.71 1tl4 h MET 48 CO 0.53 0.41 -0.54 0.22 -0.00 0.00 0.00 176.91 177.52 1tl4 h ASP 49 N 0.63 -1.69 -0.44 -0.10 3.58 -1.99 0.37 116.42 116.80 1tl4 h ASP 49 Ca 0.42 0.19 -0.08 0.00 0.42 0.00 0.00 57.03 57.98 1tl4 h ASP 49 Cb 0.71 0.65 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 1tl4 h ASP 49 CO -0.18 -0.51 -0.05 0.74 -2.88 0.00 0.00 179.24 176.37 1tl4 h THR 50 N -0.64 1.27 -0.19 2.25 2.02 -1.57 -0.66 112.91 115.39 1tl4 h THR 50 Ca 0.02 -1.12 0.02 0.00 0.77 0.00 0.00 66.41 66.10 1tl4 h THR 50 Cb 0.71 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1tl4 h THR 50 CO -0.39 0.38 0.07 -0.07 0.37 0.00 0.00 175.52 175.88 1tl4 h LEU 51 N 0.63 0.10 -0.07 2.58 3.38 -1.04 -0.54 115.31 120.35 1tl4 h LEU 51 Ca 0.12 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1tl4 h LEU 51 Cb 0.56 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1tl4 h LEU 51 CO 0.03 0.08 -0.42 -0.07 0.09 0.00 0.00 178.44 178.15 1tl4 h LEU 52 N 0.17 -1.32 -0.47 1.67 -0.00 0.67 0.27 115.31 116.30 1tl4 h LEU 52 Ca 0.08 0.15 0.05 0.00 -0.00 0.00 0.00 57.88 58.17 1tl4 h LEU 52 Cb 0.04 0.51 -0.05 0.00 -0.00 0.00 0.00 40.66 41.16 1tl4 h LEU 52 CO -0.07 -0.39 0.19 0.00 -0.00 0.00 0.00 178.44 178.17 1tl4 h ALA 53 N -0.59 0.58 0.12 1.53 0.00 -1.09 0.58 119.26 120.39 1tl4 h ALA 53 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1tl4 h ALA 53 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1tl4 h ALA 53 CO -0.32 -0.19 -0.44 1.15 0.00 0.00 0.00 179.25 179.46 1tl4 h THR 54 N 0.38 0.13 -0.22 0.00 2.02 -0.66 -3.10 112.91 111.46 1tl4 h THR 54 Ca 0.22 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.24 1tl4 h THR 54 Cb 0.19 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1tl4 h THR 54 CO -0.20 0.00 -0.49 -0.07 0.37 0.00 0.00 175.52 175.13 1tl4 h LEU 55 N -0.67 0.65 -2.33 2.58 3.38 0.29 -2.33 115.31 116.86 1tl4 h LEU 55 Ca 0.02 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1tl4 h LEU 55 Cb 0.70 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1tl4 h LEU 55 CO -0.25 1.03 0.12 0.11 0.09 0.00 0.00 178.44 179.55 1tl4 h LYS 56 N 0.47 0.00 0.00 1.13 6.56 -0.89 -0.91 116.57 122.93 1tl4 h LYS 56 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1tl4 h LYS 56 Cb 1.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 1tl4 h LYS 56 CO 0.10 0.00 0.10 0.87 -2.06 0.00 0.00 179.45 178.45 1tl4 h LYS 57 N 0.00 0.00 -0.14 3.15 1.57 -1.34 0.21 116.57 120.02 1tl4 h LYS 57 Ca 0.05 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1tl4 h LYS 57 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1tl4 h LYS 57 CO -0.00 0.00 -0.15 1.79 -0.57 0.00 0.00 179.45 180.52 1tl4 h THR 58 N 0.00 1.19 -5.45 -0.16 1.35 -1.35 -3.47 112.91 105.01 1tl4 h THR 58 Ca 0.00 -0.83 -0.42 0.00 -0.55 0.00 0.00 66.41 64.61 1tl4 h THR 58 Cb 0.19 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 1tl4 h THR 58 CO 0.00 0.26 -0.64 0.61 -0.25 0.00 0.00 175.52 175.49 1tl4 n GLY 59 N -0.83 -0.51 3.44 5.82 0.00 0.75 -5.01 105.19 108.85 1tl4 n GLY 59 Ca -0.01 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.22 -0.34 -1.55 1.61 4.76 -1.26 -4.96 118.16 112.21 1tl4 n LYS 60 Ca -0.02 -2.25 -0.34 0.00 -2.87 0.00 0.00 58.31 52.82 1tl4 n LYS 60 Cb 0.56 -0.76 -0.07 0.00 -1.84 0.00 0.00 35.03 32.92 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 -2.95 1.58 -5.26 -0.18 -1.04 -1.26 -4.89 114.28 100.28 1tl4 n THR 61 Ca 0.15 -1.53 -0.31 0.00 -2.04 0.00 0.00 64.05 60.32 1tl4 n THR 61 Cb 0.52 -2.20 -0.16 0.00 -1.82 0.00 0.00 70.33 66.67 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 8.89 2.17 0.32 12.58 0.11 -1.26 -0.79 120.40 142.42 1tl4 s VAL 62 Ca 0.65 -1.06 -0.16 0.00 -2.93 0.00 0.00 61.98 58.48 1tl4 s VAL 62 Cb 0.06 -1.76 0.03 0.00 -1.53 0.00 0.00 36.38 33.18 1tl4 s VAL 62 CO 0.15 0.58 0.69 -0.55 -3.33 0.00 0.00 175.10 172.64 1tl4 s SER 63 N -0.59 -0.01 0.20 3.54 0.15 -0.41 -5.01 113.70 111.58 1tl4 s SER 63 Ca 0.09 -0.96 -0.19 0.00 0.70 0.00 0.00 55.95 55.59 1tl4 s SER 63 Cb -0.10 0.75 -0.08 0.00 -1.71 0.00 0.00 66.02 64.88 1tl4 s SER 63 CO -0.01 -1.46 0.70 -0.47 1.20 0.00 0.00 173.24 173.21 1tl4 s TYR 64 N -3.19 3.66 0.54 3.44 5.04 -1.26 -0.95 117.35 124.63 1tl4 s TYR 64 Ca 0.16 1.35 0.01 0.00 -2.44 0.00 0.00 57.07 56.16 1tl4 s TYR 64 Cb -0.04 -2.59 0.01 0.00 0.35 0.00 0.00 41.96 39.69 1tl4 s TYR 64 CO 0.10 0.37 0.12 -0.51 -1.34 0.00 0.00 175.55 174.29 1tl4 s LEU 65 N -1.90 2.31 0.73 6.97 1.02 0.28 -4.89 118.68 123.21 1tl4 s LEU 65 Ca 0.41 -1.59 -0.16 0.00 0.02 0.00 0.00 54.13 52.81 1tl4 s LEU 65 Cb -0.17 -0.81 0.02 0.00 0.02 0.00 0.00 46.19 45.25 1tl4 s LEU 65 CO 0.21 -1.00 1.03 0.61 0.02 0.00 0.00 176.35 177.22 1tl4 n GLY 66 N -1.46 -0.31 3.79 -3.19 0.00 -1.26 -4.55 105.19 98.21 1tl4 n GLY 66 Ca -0.16 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.62 4.20 0.00 0.99 2.96 -1.26 -3.94 118.68 118.01 1tl4 s LEU 67 Ca 0.74 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 1tl4 s LEU 67 Cb -0.34 -4.18 0.00 0.00 0.50 0.00 0.00 46.19 42.18 1tl4 s LEU 67 CO 0.50 -0.23 0.00 1.21 -1.32 0.00 0.00 176.35 176.50