#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t4a s LYS 3 N 0.00 2.28 -0.25 -0.72 2.20 0.61 -0.63 119.74 123.23 1t4a s LYS 3 Ca 0.00 -1.38 -0.09 0.00 -0.36 0.00 0.00 55.97 54.14 1t4a s LYS 3 Cb 0.00 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1t4a s LYS 3 CO 0.00 -0.68 0.13 0.08 -0.36 0.00 0.00 175.35 174.52 1t4a s VAL 4 N 1.19 4.92 -0.28 4.02 1.01 0.11 -1.52 120.40 129.85 1t4a s VAL 4 Ca -0.03 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 1t4a s VAL 4 Cb -0.20 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1t4a s VAL 4 CO -0.03 0.33 0.27 -0.54 0.00 0.00 0.00 175.10 175.13 1t4a s LYS 5 N 1.35 3.98 -0.14 2.72 1.02 0.25 -0.42 119.74 128.50 1t4a s LYS 5 Ca 0.06 -0.17 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 1t4a s LYS 5 Cb -0.15 -3.66 -0.01 0.00 -0.52 0.00 0.00 37.83 33.49 1t4a s LYS 5 CO 0.06 -0.22 -0.12 0.08 -0.92 0.00 0.00 175.35 174.22 1t4a s VAL 6 N 1.89 3.06 -0.22 3.17 1.01 -1.26 -1.19 120.40 126.86 1t4a s VAL 6 Ca 0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1t4a s VAL 6 Cb -0.16 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 1t4a s VAL 6 CO 0.11 0.51 -0.06 -0.31 0.00 0.00 0.00 175.10 175.35 1t4a s TYR 7 N 0.50 2.94 -0.16 5.22 1.51 -0.05 -4.26 117.35 123.05 1t4a s TYR 7 Ca -0.09 -1.03 0.00 0.00 -1.01 0.00 0.00 57.07 54.95 1t4a s TYR 7 Cb -0.16 -2.09 -0.00 0.00 -0.11 0.00 0.00 41.96 39.61 1t4a s TYR 7 CO 0.04 -0.58 -0.15 0.08 -1.11 0.00 0.00 175.55 173.83 1t4a s VAL 8 N 1.46 2.68 0.02 0.71 1.01 -0.33 -1.77 120.40 124.18 1t4a s VAL 8 Ca 0.06 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1t4a s VAL 8 Cb -0.14 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1t4a s VAL 8 CO -0.04 0.51 0.00 -0.94 0.00 0.00 0.00 175.10 174.63 1t4a s SER 9 N 0.88 0.25 0.31 3.32 1.04 -0.49 -0.12 113.70 118.88 1t4a s SER 9 Ca -0.04 -0.55 -0.29 0.00 0.48 0.00 0.00 55.95 55.55 1t4a s SER 9 Cb -0.15 0.14 -0.11 0.00 0.10 0.00 0.00 66.02 66.00 1t4a s SER 9 CO -0.01 -0.38 1.52 -0.22 0.98 0.00 0.00 173.24 175.13 1t4a s LEU 10 N -1.75 4.35 0.45 2.42 2.96 -1.26 -0.27 118.68 125.58 1t4a s LEU 10 Ca -0.11 2.91 -0.25 0.00 -0.22 0.00 0.00 54.13 56.45 1t4a s LEU 10 Cb -0.06 -3.64 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 1t4a s LEU 10 CO -0.03 -0.84 1.42 -0.54 -1.32 0.00 0.00 176.35 175.05 1t4a s LYS 11 N -0.98 3.67 0.31 1.98 1.02 -0.48 -4.72 119.74 120.54 1t4a s LYS 11 Ca 0.59 2.41 0.22 0.00 0.02 0.00 0.00 55.97 59.21 1t4a s LYS 11 Cb -0.46 -2.64 1.14 0.00 -0.52 0.00 0.00 37.83 35.35 1t4a s LYS 11 CO 0.51 -0.83 1.67 -0.85 -0.92 0.00 0.00 175.35 174.93 1t4a n GLU 12 N -0.22 0.15 -0.05 1.68 -0.00 -1.26 -1.76 120.64 119.18 1t4a n GLU 12 Ca 0.05 0.60 0.01 0.00 -0.00 0.00 0.00 57.16 57.83 1t4a n GLU 12 Cb 0.42 -1.95 0.04 0.00 -0.00 0.00 0.00 31.44 29.95 1t4a n GLU 12 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1t4a n SER 13 N -2.26 0.50 -4.16 -1.84 3.41 -1.26 -4.80 113.62 103.22 1t4a n SER 13 Ca -0.01 -2.01 -0.26 0.00 -0.26 0.00 0.00 58.87 56.33 1t4a n SER 13 Cb 0.07 -0.08 -0.16 0.00 -0.26 0.00 0.00 64.21 63.78 1t4a n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1t4a s VAL 14 N -1.85 1.48 0.34 -3.33 1.01 -0.72 -5.11 120.40 112.21 1t4a s VAL 14 Ca 0.06 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 1t4a s VAL 14 Cb 0.03 -1.26 -0.12 0.00 0.00 0.00 0.00 36.38 35.03 1t4a s VAL 14 CO 0.04 0.42 1.47 0.18 0.00 0.00 0.00 175.10 177.21 1t4a n LEU 15 N 3.01 4.30 -3.77 3.92 4.77 -1.26 -4.93 117.00 123.04 1t4a n LEU 15 Ca -0.17 1.20 -0.28 0.00 -0.03 0.00 0.00 56.01 56.73 1t4a n LEU 15 Cb 0.53 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 39.94 1t4a n LEU 15 CO 0.25 -0.02 -0.04 -0.67 -1.33 0.00 0.00 177.39 175.58 1t4a n ASP 16 N 1.08 2.85 -0.37 -1.43 2.03 -1.26 -4.95 116.55 114.50 1t4a n ASP 16 Ca 0.05 -3.18 0.05 0.00 0.52 0.00 0.00 54.79 52.22 1t4a n ASP 16 Cb 0.37 -0.73 0.21 0.00 -0.72 0.00 0.00 41.12 40.25 1t4a n ASP 16 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1t4a h PRO 17 N 5.17 1.07 -0.52 -0.67 0.11 -1.99 -2.23 132.00 132.94 1t4a h PRO 17 Ca 0.17 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1t4a h PRO 17 Cb 0.75 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1t4a h PRO 17 CO 0.71 0.71 0.28 1.96 -0.21 0.00 0.00 178.00 181.44 1t4a h GLN 18 N 1.10 0.73 -0.60 1.05 4.20 -1.99 0.39 115.11 119.99 1t4a h GLN 18 Ca 0.46 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 59.02 1t4a h GLN 18 Cb 0.32 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1t4a h GLN 18 CO -0.22 0.57 0.09 0.78 -0.67 0.00 0.00 178.83 179.39 1t4a h GLY 19 N 0.69 1.04 0.96 3.46 0.00 -1.73 -1.06 103.07 106.43 1t4a h GLY 19 Ca 0.18 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1t4a h GLY 19 CO -0.03 0.62 0.21 1.76 0.00 0.00 0.00 176.54 179.10 1t4a h SER 20 N 0.91 0.56 -0.77 0.19 0.02 -0.87 -1.34 113.55 112.25 1t4a h SER 20 Ca 0.18 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1t4a h SER 20 Cb 0.40 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1t4a h SER 20 CO 0.01 0.52 0.30 0.00 -1.14 0.00 0.00 176.83 176.52 1t4a h ALA 21 N 1.06 1.07 -0.49 3.77 0.00 -0.61 -1.19 119.26 122.86 1t4a h ALA 21 Ca 0.15 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1t4a h ALA 21 Cb 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1t4a h ALA 21 CO -0.02 0.66 -0.14 0.28 0.00 0.00 0.00 179.25 180.03 1t4a h VAL 22 N 1.13 1.27 -0.29 0.00 2.07 -1.00 -0.62 116.25 118.81 1t4a h VAL 22 Ca 0.26 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1t4a h VAL 22 Cb 0.23 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1t4a h VAL 22 CO -0.02 0.44 0.16 -0.61 0.02 0.00 0.00 177.57 177.56 1t4a h GLN 23 N 0.83 0.40 -0.75 1.57 4.15 -0.87 -1.04 115.11 119.39 1t4a h GLN 23 Ca 0.13 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 1t4a h GLN 23 Cb 0.69 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.26 1t4a h GLN 23 CO 0.05 0.34 0.33 1.25 -1.93 0.00 0.00 178.83 178.87 1t4a h HIS 24 N 0.35 1.11 -0.77 3.99 2.76 -1.05 -2.01 115.15 119.53 1t4a h HIS 24 Ca 0.10 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1t4a h HIS 24 Cb 0.06 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.64 1t4a h HIS 24 CO -0.03 0.83 0.46 0.00 -1.30 0.00 0.00 177.93 177.89 1t4a h ALA 25 N 1.27 0.98 -0.69 5.26 0.00 -0.69 -0.51 119.26 124.89 1t4a h ALA 25 Ca 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1t4a h ALA 25 Cb 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1t4a h ALA 25 CO -0.03 0.45 0.28 -0.07 0.00 0.00 0.00 179.25 179.88 1t4a h LEU 26 N 1.05 0.95 -0.40 0.00 3.38 -0.70 -2.66 115.31 116.93 1t4a h LEU 26 Ca 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1t4a h LEU 26 Cb -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1t4a h LEU 26 CO -0.05 0.86 0.20 0.45 0.09 0.00 0.00 178.44 179.99 1t4a h HIS 27 N 0.98 0.56 0.00 1.13 3.86 -0.85 0.76 115.15 121.60 1t4a h HIS 27 Ca 0.23 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1t4a h HIS 27 Cb 0.20 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1t4a h HIS 27 CO 0.01 0.46 0.00 0.43 0.86 0.00 0.00 177.93 179.69 1t4a n SER 28 N -4.71 0.12 -0.13 2.45 7.64 -0.25 -3.93 113.62 114.81 1t4a n SER 28 Ca 0.00 -0.83 0.01 0.00 1.01 0.00 0.00 58.87 59.07 1t4a n SER 28 Cb 0.10 -0.02 0.02 0.00 -1.01 0.00 0.00 64.21 63.30 1t4a n SER 28 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1t4a n THR 30 N 1.78 0.50 -2.53 0.44 -2.24 -1.05 -5.10 114.28 106.08 1t4a n THR 30 Ca 0.00 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 1t4a n THR 30 Cb 0.01 0.59 0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1t4a n THR 30 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1t4a n TYR 31 N -0.32 2.66 0.51 4.78 4.02 0.24 -4.75 117.16 124.30 1t4a n TYR 31 Ca 0.02 -2.63 0.06 0.00 -0.01 0.00 0.00 57.90 55.34 1t4a n TYR 31 Cb 0.51 -1.38 0.29 0.00 -0.02 0.00 0.00 39.34 38.73 1t4a n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1t4a n ASN 32 N 0.72 0.00 0.26 7.72 3.02 -1.26 -2.91 115.26 122.81 1t4a n ASN 32 Ca 0.47 0.25 0.16 0.00 -0.03 0.00 0.00 54.58 55.43 1t4a n ASN 32 Cb 0.27 -0.36 0.57 0.00 -0.61 0.00 0.00 39.78 39.65 1t4a n ASN 32 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1t4a h GLU 33 N 0.00 0.00 -6.62 3.52 9.09 -1.95 -3.45 114.58 115.17 1t4a h GLU 33 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 1t4a h GLU 33 Cb 0.15 0.00 0.05 0.00 -1.65 0.00 0.00 28.75 27.29 1t4a h GLU 33 CO 0.00 0.01 0.92 0.08 0.05 0.00 0.00 179.01 180.07 1t4a s VAL 34 N -3.57 2.44 -0.13 -1.06 1.01 -1.15 -4.91 120.40 113.03 1t4a s VAL 34 Ca 0.02 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.40 1t4a s VAL 34 Cb 0.08 -3.20 -0.14 0.00 0.00 0.00 0.00 36.38 33.12 1t4a s VAL 34 CO 0.57 0.02 -0.00 0.00 0.00 0.00 0.00 175.10 175.70 1t4a n GLN 35 N 3.97 1.63 -3.69 2.72 1.13 -1.26 -5.01 117.38 116.88 1t4a n GLN 35 Ca 0.14 0.02 -0.15 0.00 -1.94 0.00 0.00 57.00 55.08 1t4a n GLN 35 Cb 0.37 -1.31 -0.08 0.00 0.11 0.00 0.00 30.24 29.33 1t4a n GLN 35 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1t4a s ASP 36 N -4.73 -0.37 -0.04 1.08 2.15 -1.26 -5.13 116.67 108.37 1t4a s ASP 36 Ca -0.10 0.40 0.01 0.00 0.43 0.00 0.00 52.55 53.30 1t4a s ASP 36 Cb 0.04 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.16 1t4a s ASP 36 CO 0.46 -0.45 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.30 1t4a s VAL 37 N -1.03 0.41 -0.06 1.11 1.01 -1.26 -5.05 120.40 115.53 1t4a s VAL 37 Ca -0.11 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1t4a s VAL 37 Cb -0.03 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1t4a s VAL 37 CO 0.05 0.19 -0.09 -0.13 0.00 0.00 0.00 175.10 175.12 1t4a s ARG 38 N 0.85 1.40 -0.09 2.72 1.81 -1.26 -4.66 118.95 119.71 1t4a s ARG 38 Ca -0.10 -0.30 0.03 0.00 -1.72 0.00 0.00 55.73 53.64 1t4a s ARG 38 Cb -0.13 -1.23 0.01 0.00 -0.45 0.00 0.00 34.95 33.15 1t4a s ARG 38 CO -0.00 -0.03 -0.18 0.42 -0.68 0.00 0.00 175.30 174.83 1t4a s ILE 39 N 0.83 1.60 0.37 1.52 1.01 -1.26 -5.12 121.20 120.16 1t4a s ILE 39 Ca -0.12 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.84 1t4a s ILE 39 Cb -0.15 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1t4a s ILE 39 CO 0.02 0.46 0.16 -0.83 0.00 0.00 0.00 174.94 174.74 1t4a s GLY 40 N 0.64 2.42 0.00 6.18 0.00 -1.26 -4.72 107.32 110.57 1t4a s GLY 40 Ca -0.14 -1.52 -0.17 0.00 0.00 0.00 0.00 44.72 42.89 1t4a s GLY 40 CO 0.04 -1.72 0.47 0.54 0.00 0.00 0.00 173.10 172.43 1t4a s LYS 41 N -3.70 4.07 0.30 2.90 1.02 0.83 -4.94 119.74 120.22 1t4a s LYS 41 Ca 0.30 0.52 0.08 0.00 0.02 0.00 0.00 55.97 56.88 1t4a s LYS 41 Cb 0.03 -3.26 -0.06 0.00 -0.52 0.00 0.00 37.83 34.02 1t4a s LYS 41 CO 0.17 0.59 -0.08 -0.47 -0.92 0.00 0.00 175.35 174.64 1t4a s TYR 42 N -0.80 2.13 -0.30 3.18 6.14 -1.26 -1.19 117.35 125.25 1t4a s TYR 42 Ca 0.26 -0.61 -0.10 0.00 0.64 0.00 0.00 57.07 57.26 1t4a s TYR 42 Cb -0.17 -1.21 0.17 0.00 0.42 0.00 0.00 41.96 41.17 1t4a s TYR 42 CO 0.15 0.42 0.87 -1.21 0.64 0.00 0.00 175.55 176.41 1t4a s GLU 44 N -3.67 0.36 -0.18 4.97 2.02 -1.26 -4.98 118.70 115.95 1t4a s GLU 44 Ca 0.31 0.74 -0.02 0.00 0.02 0.00 0.00 54.97 56.01 1t4a s GLU 44 Cb 0.03 0.43 -0.01 0.00 0.10 0.00 0.00 34.13 34.68 1t4a s GLU 44 CO 0.14 -0.28 -0.08 -0.51 0.02 0.00 0.00 175.26 174.55 1t4a s LEU 45 N 2.77 2.83 -0.26 1.80 1.43 0.45 -4.94 118.68 122.76 1t4a s LEU 45 Ca 0.04 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.59 1t4a s LEU 45 Cb -0.10 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1t4a s LEU 45 CO -0.16 0.06 0.54 -0.89 0.23 0.00 0.00 176.35 176.13 1t4a s THR 46 N 1.00 5.05 -0.09 5.49 2.01 -1.26 0.07 115.64 127.90 1t4a s THR 46 Ca -0.01 0.91 0.04 0.00 0.31 0.00 0.00 61.69 62.94 1t4a s THR 46 Cb -0.15 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1t4a s THR 46 CO -0.00 0.05 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.13 1t4a s ILE 47 N 2.36 1.92 0.16 1.82 1.01 0.20 -5.00 121.20 123.68 1t4a s ILE 47 Ca 0.22 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 1t4a s ILE 47 Cb -0.16 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1t4a s ILE 47 CO 0.09 0.53 0.39 -0.70 0.00 0.00 0.00 174.94 175.25 1t4a s GLU 48 N 0.37 3.60 0.42 2.79 2.12 -1.26 -1.45 118.70 125.28 1t4a s GLU 48 Ca -0.18 -0.13 -0.26 0.00 0.36 0.00 0.00 54.97 54.77 1t4a s GLU 48 Cb -0.17 -2.83 -0.10 0.00 0.26 0.00 0.00 34.13 31.29 1t4a s GLU 48 CO 0.08 0.44 1.30 1.17 -0.54 0.00 0.00 175.26 177.71 1t4a n LYS 49 N -0.13 2.02 -2.52 4.30 4.81 -1.26 -5.00 118.16 120.38 1t4a n LYS 49 Ca -0.03 0.72 -0.06 0.00 -0.87 0.00 0.00 58.31 58.07 1t4a n LYS 49 Cb 0.52 -2.42 -0.01 0.00 0.02 0.00 0.00 35.03 33.14 1t4a n LYS 49 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1t4a n SER 50 N 0.22 -0.60 0.25 3.14 3.41 -1.26 -5.04 113.62 113.73 1t4a n SER 50 Ca 0.06 -1.77 0.13 0.00 -0.26 0.00 0.00 58.87 57.03 1t4a n SER 50 Cb 0.39 1.11 0.54 0.00 -0.26 0.00 0.00 64.21 66.00 1t4a n SER 50 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1t4a h ASP 51 N 0.82 0.00 -3.75 4.04 3.45 -2.08 -3.44 116.42 115.45 1t4a h ASP 51 Ca -0.12 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.86 1t4a h ASP 51 Cb 0.49 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 1t4a h ASP 51 CO 0.16 0.11 0.15 -0.13 -1.57 0.00 0.00 179.24 177.95 1t4a s ARG 52 N -3.63 4.11 0.40 3.56 0.52 -1.26 -5.04 118.95 117.62 1t4a s ARG 52 Ca 0.01 0.81 -0.24 0.00 -0.52 0.00 0.00 55.73 55.79 1t4a s ARG 52 Cb 0.09 -2.50 -0.09 0.00 0.52 0.00 0.00 34.95 32.98 1t4a s ARG 52 CO 0.60 0.18 1.09 -0.51 0.02 0.00 0.00 175.30 176.68 1t4a s ASP 53 N -2.10 6.65 0.21 0.23 1.01 -1.26 -4.92 116.67 116.48 1t4a s ASP 53 Ca 0.53 2.16 -0.09 0.00 0.71 0.00 0.00 52.55 55.86 1t4a s ASP 53 Cb -0.12 -2.60 0.23 0.00 1.01 0.00 0.00 42.92 41.44 1t4a s ASP 53 CO 0.18 -0.58 1.84 0.25 0.21 0.00 0.00 175.17 177.07 1t4a h LEU 54 N 2.54 0.68 -0.67 1.23 5.85 -1.96 -1.93 115.31 121.05 1t4a h LEU 54 Ca -0.48 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 1t4a h LEU 54 Cb 1.22 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1t4a h LEU 54 CO 0.62 0.46 0.06 -2.24 -0.34 0.00 0.00 178.44 177.00 1t4a h ASP 55 N 0.82 1.05 -0.37 1.25 2.03 -2.00 -1.90 116.42 117.30 1t4a h ASP 55 Ca 0.30 -0.27 -0.05 0.00 -0.73 0.00 0.00 57.03 56.28 1t4a h ASP 55 Cb 0.10 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.30 1t4a h ASP 55 CO -0.14 1.07 0.05 0.58 -1.03 0.00 0.00 179.24 179.76 1t4a h VAL 56 N 1.01 1.24 0.22 4.15 2.07 -1.90 -2.76 116.25 120.28 1t4a h VAL 56 Ca 0.19 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1t4a h VAL 56 Cb 0.49 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1t4a h VAL 56 CO 0.02 0.30 -0.19 0.25 0.02 0.00 0.00 177.57 177.96 1t4a h LEU 57 N 0.45 -0.51 -0.11 2.57 5.85 -1.22 -1.89 115.31 120.44 1t4a h LEU 57 Ca 0.11 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1t4a h LEU 57 Cb 0.38 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1t4a h LEU 57 CO 0.01 -0.29 0.04 0.58 -0.34 0.00 0.00 178.44 178.44 1t4a h VAL 58 N -0.43 0.98 -0.55 1.05 2.07 -1.35 -2.83 116.25 115.18 1t4a h VAL 58 Ca -0.01 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1t4a h VAL 58 Cb 0.40 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1t4a h VAL 58 CO -0.03 0.02 0.10 0.11 0.02 0.00 0.00 177.57 177.78 1t4a h LYS 59 N 0.10 0.86 -0.36 1.57 1.57 -1.50 -1.18 116.57 117.63 1t4a h LYS 59 Ca 0.05 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1t4a h LYS 59 Cb 0.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1t4a h LYS 59 CO -0.05 0.80 0.00 -1.91 -0.57 0.00 0.00 179.45 177.72 1t4a n GLU 60 N -4.25 0.03 0.00 3.15 2.13 -0.71 -0.28 120.64 120.70 1t4a n GLU 60 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1t4a n GLU 60 Cb 0.25 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 30.87 1t4a n GLU 60 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1t4a h GLU 63 N 0.00 0.02 0.02 0.00 4.39 -0.90 -1.47 114.58 116.65 1t4a h GLU 63 Ca 0.00 -0.01 -0.37 0.00 0.34 0.00 0.00 59.36 59.32 1t4a h GLU 63 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1t4a h GLU 63 CO 0.00 0.54 -2.27 1.63 -1.16 0.00 0.00 179.01 177.75 1t4a n LYS 64 N -3.92 0.68 0.00 2.33 5.02 -0.56 -4.82 118.16 116.89 1t4a n LYS 64 Ca -0.01 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1t4a n LYS 64 Cb 0.54 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1t4a n LYS 64 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1t4a n LEU 65 N -3.09 0.50 0.10 -0.35 7.94 -1.26 -4.87 117.00 115.97 1t4a n LEU 65 Ca -0.36 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 54.66 1t4a n LEU 65 Cb 1.06 0.00 0.46 0.00 0.53 0.00 0.00 43.42 45.47 1t4a n LEU 65 CO 0.37 -0.05 0.85 0.18 -1.11 0.00 0.00 177.39 177.62 1t4a n LEU 66 N -2.09 0.58 -3.81 -1.96 4.77 -1.25 -4.86 117.00 108.38 1t4a n LEU 66 Ca 0.00 0.62 -0.10 0.00 -0.03 0.00 0.00 56.01 56.51 1t4a n LEU 66 Cb 0.13 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 1t4a n LEU 66 CO 0.00 -0.43 0.17 0.00 -1.33 0.00 0.00 177.39 175.79 1t4a s ALA 67 N -3.23 -0.62 -0.47 -1.18 0.00 -0.55 -4.98 121.76 110.73 1t4a s ALA 67 Ca 0.06 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.62 1t4a s ALA 67 Cb 0.10 0.84 0.12 0.00 0.00 0.00 0.00 23.12 24.18 1t4a s ALA 67 CO 0.41 -0.74 0.20 1.21 0.00 0.00 0.00 175.76 176.85 1t4a s ASN 68 N -2.90 4.43 0.00 0.00 3.84 -1.26 -4.62 114.94 114.43 1t4a s ASN 68 Ca 0.11 -2.79 0.00 0.00 0.21 0.00 0.00 52.86 50.40 1t4a s ASN 68 Cb 0.01 -1.63 0.00 0.00 -0.55 0.00 0.00 41.25 39.07 1t4a s ASN 68 CO -0.02 -0.27 0.51 0.35 -2.79 0.00 0.00 177.10 174.88 1t4a n THR 69 N 3.41 0.07 0.11 -5.21 -2.24 -1.26 -1.13 114.28 108.03 1t4a n THR 69 Ca 0.05 0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.61 1t4a n THR 69 Cb 0.35 -1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 67.41 1t4a n THR 69 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1t4a h VAL 70 N 0.00 1.15 -0.00 2.28 2.07 -2.00 -3.39 116.25 116.36 1t4a h VAL 70 Ca 0.00 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.86 1t4a h VAL 70 Cb 0.00 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1t4a h VAL 70 CO 0.00 0.83 -0.16 2.30 0.02 0.00 0.00 177.57 180.56 1t4a n ILE 71 N -3.64 0.00 -4.17 4.57 -5.35 -0.74 -5.02 119.36 105.01 1t4a n ILE 71 Ca -0.19 -0.42 -0.18 0.00 -0.27 0.00 0.00 62.75 61.69 1t4a n ILE 71 Cb 1.09 1.03 -0.12 0.00 -1.74 0.00 0.00 39.64 39.90 1t4a n ILE 71 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1t4a s GLU 72 N -1.16 0.83 0.20 6.28 2.02 -0.28 -1.38 118.70 125.21 1t4a s GLU 72 Ca 0.03 -1.00 0.05 0.00 0.02 0.00 0.00 54.97 54.07 1t4a s GLU 72 Cb 0.04 -0.78 -0.03 0.00 0.10 0.00 0.00 34.13 33.45 1t4a s GLU 72 CO 0.16 0.17 0.24 -0.51 0.02 0.00 0.00 175.26 175.34 1t4a s ASP 73 N -1.88 5.94 0.03 -0.19 1.01 0.63 -4.21 116.67 118.00 1t4a s ASP 73 Ca -0.00 -0.02 -0.08 0.00 0.71 0.00 0.00 52.55 53.16 1t4a s ASP 73 Cb -0.09 -1.67 -0.00 0.00 1.01 0.00 0.00 42.92 42.17 1t4a s ASP 73 CO 0.02 0.01 0.15 -0.72 0.21 0.00 0.00 175.17 174.84 1t4a s TYR 74 N -1.88 0.10 0.14 4.23 1.13 -1.26 -1.40 117.35 118.41 1t4a s TYR 74 Ca 0.33 -0.32 -0.16 0.00 -1.41 0.00 0.00 57.07 55.51 1t4a s TYR 74 Cb -0.10 -0.07 0.03 0.00 -1.10 0.00 0.00 41.96 40.73 1t4a s TYR 74 CO 0.26 -0.38 0.43 -0.98 -2.51 0.00 0.00 175.55 172.38 1t4a s ARG 75 N -2.31 1.15 0.12 -3.49 1.70 -0.73 -4.99 118.95 110.40 1t4a s ARG 75 Ca -0.07 -0.75 -0.07 0.00 -0.47 0.00 0.00 55.73 54.37 1t4a s ARG 75 Cb -0.03 0.48 -0.01 0.00 -0.57 0.00 0.00 34.95 34.83 1t4a s ARG 75 CO -0.03 -0.46 0.19 1.52 -1.08 0.00 0.00 175.30 175.44 1t4a s TYR 76 N -3.82 0.37 0.01 5.89 -0.85 -1.26 -0.87 117.35 116.82 1t4a s TYR 76 Ca 0.05 -0.78 0.01 0.00 -0.52 0.00 0.00 57.07 55.82 1t4a s TYR 76 Cb 0.01 -0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 1t4a s TYR 76 CO -0.10 -0.60 -0.03 -1.21 -1.52 0.00 0.00 175.55 172.09 1t4a s GLU 77 N -3.93 0.27 -0.05 -3.49 2.02 -0.33 -4.98 118.70 108.20 1t4a s GLU 77 Ca 0.13 -0.37 0.06 0.00 0.02 0.00 0.00 54.97 54.81 1t4a s GLU 77 Cb 0.05 -0.09 -0.01 0.00 0.10 0.00 0.00 34.13 34.18 1t4a s GLU 77 CO -0.05 0.01 -0.24 0.08 0.02 0.00 0.00 175.26 175.08 1t4a s VAL 78 N -0.74 1.97 0.12 2.63 1.01 -1.26 -0.58 120.40 123.55 1t4a s VAL 78 Ca -0.07 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1t4a s VAL 78 Cb -0.05 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1t4a s VAL 78 CO -0.00 0.55 -0.06 -1.61 0.00 0.00 0.00 175.10 173.97 1t4a s GLU 79 N -0.20 0.94 0.00 2.72 2.02 -0.58 -5.00 118.70 118.60 1t4a s GLU 79 Ca -0.02 -1.40 0.24 0.00 0.02 0.00 0.00 54.97 53.82 1t4a s GLU 79 Cb -0.13 -0.31 0.29 0.00 0.10 0.00 0.00 34.13 34.07 1t4a s GLU 79 CO 0.03 -0.02 1.32 -1.91 0.02 0.00 0.00 175.26 174.70