#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hd3 s LEU 3 N 0.00 4.17 0.26 -5.58 2.96 -1.26 -0.32 118.68 118.92 2hd3 s LEU 3 Ca 0.00 1.28 -0.14 0.00 -0.22 0.00 0.00 54.13 55.05 2hd3 s LEU 3 Cb 0.00 -3.85 0.00 0.00 0.50 0.00 0.00 46.19 42.84 2hd3 s LEU 3 CO 0.00 -0.11 0.54 0.00 -1.32 0.00 0.00 176.35 175.47 2hd3 s ALA 4 N -1.80 -0.42 -0.08 5.97 0.00 -0.81 -2.14 121.76 122.48 2hd3 s ALA 4 Ca 0.49 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.70 2hd3 s ALA 4 Cb -0.12 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.01 2hd3 s ALA 4 CO 0.19 -0.90 -0.19 0.08 0.00 0.00 0.00 175.76 174.94 2hd3 s VAL 5 N -3.87 1.65 -0.66 0.00 1.01 -0.94 -1.57 120.40 116.02 2hd3 s VAL 5 Ca 0.20 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 2hd3 s VAL 5 Cb -0.02 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 2hd3 s VAL 5 CO 0.09 0.47 1.67 -0.69 0.00 0.00 0.00 175.10 176.64 2hd3 s VAL 6 N 0.37 3.48 -1.89 2.92 1.01 -0.66 -1.88 120.40 123.74 2hd3 s VAL 6 Ca -0.14 0.26 0.17 0.00 0.00 0.00 0.00 61.98 62.27 2hd3 s VAL 6 Cb -0.16 -4.27 0.50 0.00 0.00 0.00 0.00 36.38 32.45 2hd3 s VAL 6 CO 0.06 -1.23 1.41 0.35 0.00 0.00 0.00 175.10 175.69 2hd3 n THR 7 N 6.94 0.83 -3.55 3.92 -2.24 -1.26 -0.23 114.28 118.70 2hd3 n THR 7 Ca 0.15 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2hd3 n THR 7 Cb 0.51 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2hd3 n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hd3 n GLY 8 N 1.32 -0.51 3.44 3.38 0.00 -1.26 -4.98 105.19 106.58 2hd3 n GLY 8 Ca 0.19 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 2hd3 n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hd3 s GLN 9 N -1.65 0.73 0.02 1.61 0.74 -1.26 -4.60 119.66 115.25 2hd3 s GLN 9 Ca 0.00 0.55 0.08 0.00 0.05 0.00 0.00 55.36 56.03 2hd3 s GLN 9 Cb 0.00 0.35 -0.03 0.00 1.10 0.00 0.00 33.01 34.43 2hd3 s GLN 9 CO 0.00 -0.14 -0.22 0.42 -0.55 0.00 0.00 175.29 174.80 2hd3 s ILE 10 N -0.20 2.48 -0.13 -2.34 1.09 0.01 -4.99 121.20 117.11 2hd3 s ILE 10 Ca -0.04 -1.18 0.02 0.00 -1.10 0.00 0.00 60.65 58.35 2hd3 s ILE 10 Cb -0.03 -1.98 0.00 0.00 -1.06 0.00 0.00 42.46 39.39 2hd3 s ILE 10 CO 0.03 0.42 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.41 2hd3 s VAL 11 N -0.80 2.38 -0.38 2.92 1.01 -1.26 -3.97 120.40 120.29 2hd3 s VAL 11 Ca 0.12 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2hd3 s VAL 11 Cb -0.10 -1.97 0.12 0.00 0.00 0.00 0.00 36.38 34.43 2hd3 s VAL 11 CO 0.02 0.54 0.17 0.00 0.00 0.00 0.00 175.10 175.83 2hd3 h THR 13 N 5.85 1.20 -3.27 0.00 2.02 -2.04 -3.34 112.91 113.33 2hd3 h THR 13 Ca -0.06 -0.63 -0.76 0.00 0.77 0.00 0.00 66.41 65.74 2hd3 h THR 13 Cb 0.97 1.44 -0.24 0.00 -1.74 0.00 0.00 68.15 68.59 2hd3 h THR 13 CO 0.48 0.18 0.03 -0.69 0.37 0.00 0.00 175.52 175.89 2hd3 s VAL 14 N -5.24 5.25 0.12 3.16 1.01 -1.26 -4.99 120.40 118.45 2hd3 s VAL 14 Ca -0.14 -1.76 0.01 0.00 0.00 0.00 0.00 61.98 60.09 2hd3 s VAL 14 Cb 0.05 -4.44 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 2hd3 s VAL 14 CO 0.69 -1.02 0.04 -2.11 0.00 0.00 0.00 175.10 172.70 2hd3 n ARG 15 N 5.08 0.95 -2.94 2.72 1.85 -1.26 -5.13 116.66 117.93 2hd3 n ARG 15 Ca -0.01 -0.99 -0.40 0.00 -1.00 0.00 0.00 57.85 55.45 2hd3 n ARG 15 Cb 0.44 0.50 -0.04 0.00 -1.05 0.00 0.00 32.46 32.30 2hd3 n ARG 15 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2hd3 s HIS 16 N -1.91 3.60 0.26 2.89 5.65 -1.26 -4.97 115.29 119.55 2hd3 s HIS 16 Ca 0.05 1.39 -0.04 0.00 0.25 0.00 0.00 55.06 56.70 2hd3 s HIS 16 Cb 0.00 -2.90 0.52 0.00 -1.18 0.00 0.00 32.58 29.01 2hd3 s HIS 16 CO 0.04 0.05 1.63 0.45 -0.65 0.00 0.00 174.74 176.27 2hd3 h HIS 17 N 6.78 0.04 -1.04 3.88 -0.00 -2.00 0.05 115.15 122.86 2hd3 h HIS 17 Ca -0.41 0.06 0.30 0.00 -0.00 0.00 0.00 60.37 60.31 2hd3 h HIS 17 Cb 1.20 0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 28.67 2hd3 h HIS 17 CO 0.66 -0.24 0.74 0.78 -0.00 0.00 0.00 177.93 179.87 2hd3 h GLY 18 N 0.13 0.11 0.96 2.45 0.00 -1.93 0.83 103.07 105.61 2hd3 h GLY 18 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2hd3 h GLY 18 CO -0.68 -0.01 0.00 1.04 0.00 0.00 0.00 176.54 176.89 2hd3 n LEU 19 N -4.26 0.00 0.00 3.11 4.77 0.00 -4.78 117.00 115.85 2hd3 n LEU 19 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2hd3 n LEU 19 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2hd3 n LEU 19 CO 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 2hd3 n ALA 20 N -0.98 0.00 -0.68 -1.18 0.00 0.28 -3.24 120.51 114.71 2hd3 n ALA 20 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.52 2hd3 n ALA 20 Cb 0.01 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.54 2hd3 n ALA 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hd3 n HIS 21 N 14.00 0.00 -2.19 0.00 -0.00 -1.26 -4.95 115.22 120.82 2hd3 n HIS 21 Ca 0.00 -0.73 -0.35 0.00 -0.00 0.00 0.00 57.72 56.64 2hd3 n HIS 21 Cb 0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 29.99 29.90 2hd3 n HIS 21 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2hd3 s ASP 22 N -1.96 5.61 0.56 0.41 -0.00 -1.20 -5.01 116.67 115.08 2hd3 s ASP 22 Ca 0.17 2.25 -0.17 0.00 -0.00 0.00 0.00 52.55 54.80 2hd3 s ASP 22 Cb 0.15 -2.59 -0.05 0.00 -0.00 0.00 0.00 42.92 40.43 2hd3 s ASP 22 CO 0.02 -1.30 1.04 -0.54 -0.00 0.00 0.00 175.17 174.39 2hd3 s LYS 23 N -3.25 3.50 -0.21 8.23 -0.14 -1.12 -4.84 119.74 121.92 2hd3 s LYS 23 Ca 0.73 1.20 -0.03 0.00 -1.36 0.00 0.00 55.97 56.51 2hd3 s LYS 23 Cb -0.26 -2.06 -0.01 0.00 -1.68 0.00 0.00 37.83 33.82 2hd3 s LYS 23 CO 0.29 -0.66 -0.06 -0.51 -0.76 0.00 0.00 175.35 173.65 2hd3 s LEU 24 N -4.24 2.82 0.00 3.17 1.43 -1.25 -1.85 118.68 118.75 2hd3 s LEU 24 Ca 0.64 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2hd3 s LEU 24 Cb -0.15 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2hd3 s LEU 24 CO 0.33 0.00 0.00 0.00 0.23 0.00 0.00 176.35 176.91 2hd3 n LEU 25 N 4.63 0.00 0.00 1.79 -0.00 -0.72 -0.81 117.00 121.89 2hd3 n LEU 25 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 2hd3 n LEU 25 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2hd3 n LEU 25 CO 0.29 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 179.01 2hd3 n VAL 27 N 0.00 0.00 0.00 1.47 0.24 0.31 -0.90 118.33 119.44 2hd3 n VAL 27 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2hd3 n VAL 27 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2hd3 n VAL 27 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2hd3 n GLU 28 N -0.55 1.26 0.00 7.34 2.13 -0.79 -1.09 120.64 128.95 2hd3 n GLU 28 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hd3 n GLU 28 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2hd3 n GLU 28 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2hd3 n ILE 30 N 0.00 0.00 -3.08 6.31 -5.35 -0.91 -2.21 119.36 114.12 2hd3 n ILE 30 Ca 0.00 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.29 2hd3 n ILE 30 Cb 0.00 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 37.91 2hd3 n ILE 30 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2hd3 s ASP 31 N 0.00 5.71 0.00 7.28 3.84 -0.19 -4.30 116.67 129.00 2hd3 s ASP 31 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 52.55 52.40 2hd3 s ASP 31 Cb 0.00 -1.02 0.00 0.00 -1.38 0.00 0.00 42.92 40.52 2hd3 s ASP 31 CO 0.00 -0.72 0.15 -0.81 -0.00 0.00 0.00 175.17 173.79 2hd3 n PRO 32 N -1.92 0.22 0.00 2.11 -0.04 -1.26 -0.74 135.00 133.38 2hd3 n PRO 32 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2hd3 n PRO 32 Cb 0.59 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2hd3 n PRO 32 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hd3 n GLN 33 N 0.10 1.21 0.00 0.54 6.02 -1.26 -5.01 117.38 118.98 2hd3 n GLN 33 Ca 0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 2hd3 n GLN 33 Cb 0.04 -0.83 0.00 0.00 1.02 0.00 0.00 30.24 30.47 2hd3 n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hd3 n GLY 34 N 0.27 3.16 3.67 1.08 0.00 0.09 -5.04 105.19 108.41 2hd3 n GLY 34 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2hd3 n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hd3 n ASN 35 N 0.00 4.00 -4.74 1.61 3.02 -1.26 -4.62 115.26 113.27 2hd3 n ASN 35 Ca 0.00 0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 55.07 2hd3 n ASN 35 Cb 0.00 -1.49 -0.04 0.00 -0.61 0.00 0.00 39.78 37.63 2hd3 n ASN 35 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2hd3 s PRO 36 N 4.18 4.63 0.00 3.52 0.04 -1.26 -1.03 135.00 145.09 2hd3 s PRO 36 Ca 0.89 1.69 0.27 0.00 0.04 0.00 0.00 61.00 63.89 2hd3 s PRO 36 Cb -0.50 -3.27 1.34 0.00 0.04 0.00 0.00 34.50 32.11 2hd3 s PRO 36 CO 0.44 0.14 1.92 -0.25 0.04 0.00 0.00 177.00 179.29 2hd3 n ASP 37 N 2.15 0.00 0.00 6.66 8.00 -1.26 -4.88 116.55 127.22 2hd3 n ASP 37 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2hd3 n ASP 37 Cb 0.46 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2hd3 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hd3 n GLY 38 N 1.07 2.79 3.68 0.44 0.00 -1.26 -5.01 105.19 106.90 2hd3 n GLY 38 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2hd3 n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hd3 s GLN 39 N -0.54 4.39 0.27 1.61 -1.52 -1.26 -5.05 119.66 117.57 2hd3 s GLN 39 Ca 0.00 1.25 0.10 0.00 -1.95 0.00 0.00 55.36 54.77 2hd3 s GLN 39 Cb 0.00 -3.54 -0.05 0.00 -0.22 0.00 0.00 33.01 29.19 2hd3 s GLN 39 CO 0.00 -0.29 -0.16 0.00 -0.25 0.00 0.00 175.29 174.59 2hd3 s ALA 41 N -2.66 -2.11 -0.11 0.00 0.00 -0.25 -5.00 121.76 111.63 2hd3 s ALA 41 Ca 0.29 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.14 2hd3 s ALA 41 Cb -0.02 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 2hd3 s ALA 41 CO 0.13 -1.12 -0.18 0.08 0.00 0.00 0.00 175.76 174.68 2hd3 s VAL 42 N -2.07 2.61 0.24 0.00 1.01 -1.26 -0.53 120.40 120.39 2hd3 s VAL 42 Ca 0.26 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.53 2hd3 s VAL 42 Cb -0.01 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 2hd3 s VAL 42 CO 0.02 0.54 -0.20 0.00 0.00 0.00 0.00 175.10 175.46 2hd3 s ALA 43 N 0.26 2.52 0.22 5.51 0.00 -0.08 -4.77 121.76 125.43 2hd3 s ALA 43 Ca -0.13 -1.75 -0.14 0.00 0.00 0.00 0.00 51.96 49.94 2hd3 s ALA 43 Cb -0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.63 2hd3 s ALA 43 CO 0.07 0.29 0.62 -1.50 0.00 0.00 0.00 175.76 175.24 2hd3 s ILE 44 N -2.30 4.78 -0.08 0.00 1.10 -0.60 -1.75 121.20 122.35 2hd3 s ILE 44 Ca 0.25 0.87 -0.03 0.00 -0.51 0.00 0.00 60.65 61.23 2hd3 s ILE 44 Cb -0.05 -3.71 0.04 0.00 0.15 0.00 0.00 42.46 38.89 2hd3 s ILE 44 CO 0.12 0.08 0.11 -0.62 -2.11 0.00 0.00 174.94 172.52 2hd3 s ASP 45 N -1.96 1.05 0.00 4.50 2.15 -0.77 -2.35 116.67 119.28 2hd3 s ASP 45 Ca 0.44 0.14 0.07 0.00 0.43 0.00 0.00 52.55 53.63 2hd3 s ASP 45 Cb -0.13 0.07 0.07 0.00 -0.30 0.00 0.00 42.92 42.62 2hd3 s ASP 45 CO 0.20 -0.26 0.75 -0.46 -0.17 0.00 0.00 175.17 175.23 2hd3 n ASN 46 N 5.31 1.66 0.00 -0.34 2.04 -1.26 -2.80 115.26 119.86 2hd3 n ASN 46 Ca -0.04 -1.34 0.00 0.00 -0.44 0.00 0.00 54.58 52.76 2hd3 n ASN 46 Cb 0.50 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.74 2hd3 n ASN 46 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2hd3 n ILE 47 N 0.39 0.00 0.00 1.53 5.41 -1.26 -5.06 119.36 120.37 2hd3 n ILE 47 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 2hd3 n ILE 47 Cb 0.19 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 2hd3 n ILE 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hd3 n GLY 48 N 2.82 0.00 3.82 7.39 0.00 -1.26 -5.16 105.19 112.80 2hd3 n GLY 48 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2hd3 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hd3 s ALA 49 N 0.00 3.41 0.37 4.61 0.00 -1.26 -5.09 121.76 123.81 2hd3 s ALA 49 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.16 2hd3 s ALA 49 Cb 0.00 -2.79 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 2hd3 s ALA 49 CO 0.00 0.34 0.06 0.20 0.00 0.00 0.00 175.76 176.36 2hd3 s GLY 50 N -1.75 2.21 0.17 0.00 0.00 -1.26 -5.06 107.32 101.64 2hd3 s GLY 50 Ca 0.44 -2.06 -0.34 0.00 0.00 0.00 0.00 44.72 42.77 2hd3 s GLY 50 CO 0.20 -1.94 1.58 -0.37 0.00 0.00 0.00 173.10 172.57 2hd3 n THR 51 N -1.04 0.06 0.00 0.90 5.66 -1.26 -1.92 114.28 116.69 2hd3 n THR 51 Ca -0.03 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2hd3 n THR 51 Cb 0.64 -1.56 0.00 0.00 -1.55 0.00 0.00 70.33 67.86 2hd3 n THR 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hd3 n GLY 52 N 3.36 3.22 3.79 1.09 0.00 0.68 -5.00 105.19 112.32 2hd3 n GLY 52 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2hd3 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hd3 s GLU 53 N -0.52 3.96 0.08 1.61 2.02 -0.81 -4.66 118.70 120.38 2hd3 s GLU 53 Ca 0.00 1.50 -0.21 0.00 0.02 0.00 0.00 54.97 56.27 2hd3 s GLU 53 Cb 0.00 -2.35 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 2hd3 s GLU 53 CO 0.00 -0.32 0.64 -1.58 0.02 0.00 0.00 175.26 174.02 2hd3 s TRP 54 N -1.76 3.81 0.08 1.61 0.52 -1.26 -1.65 118.94 120.29 2hd3 s TRP 54 Ca 0.62 1.37 0.01 0.00 0.02 0.00 0.00 56.10 58.12 2hd3 s TRP 54 Cb -0.21 -2.61 -0.04 0.00 -1.15 0.00 0.00 33.47 29.46 2hd3 s TRP 54 CO 0.26 0.51 -0.05 0.14 0.02 0.00 0.00 176.95 177.82 2hd3 s VAL 55 N -0.89 0.54 -0.33 4.03 -7.23 -0.61 -1.93 120.40 113.98 2hd3 s VAL 55 Ca 0.32 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 2hd3 s VAL 55 Cb -0.20 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 2hd3 s VAL 55 CO 0.21 -0.91 0.18 -0.76 -0.31 0.00 0.00 175.10 173.51 2hd3 s LEU 56 N -2.99 4.29 0.13 1.32 2.01 0.34 -1.93 118.68 121.85 2hd3 s LEU 56 Ca 0.10 -0.55 0.02 0.00 0.01 0.00 0.00 54.13 53.71 2hd3 s LEU 56 Cb 0.06 -2.04 -0.04 0.00 0.01 0.00 0.00 46.19 44.18 2hd3 s LEU 56 CO -0.06 -0.23 0.26 -0.76 1.01 0.00 0.00 176.35 176.56 2hd3 s LEU 57 N 1.64 4.29 -0.03 1.79 1.43 0.57 -0.09 118.68 128.27 2hd3 s LEU 57 Ca 0.05 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 2hd3 s LEU 57 Cb -0.17 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.18 2hd3 s LEU 57 CO 0.07 0.08 -0.09 0.54 0.23 0.00 0.00 176.35 177.18 2hd3 s VAL 58 N -1.69 0.79 0.46 -1.59 0.11 -0.14 -1.48 120.40 116.85 2hd3 s VAL 58 Ca 0.34 -0.35 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2hd3 s VAL 58 Cb -0.11 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 2hd3 s VAL 58 CO 0.28 0.25 0.02 -0.94 -3.33 0.00 0.00 175.10 171.38 2hd3 s SER 59 N 0.30 4.02 0.10 3.54 1.04 -1.26 -0.48 113.70 120.95 2hd3 s SER 59 Ca -0.05 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.90 2hd3 s SER 59 Cb -0.10 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2hd3 s SER 59 CO 0.01 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2hd3 n GLY 60 N -1.12 -1.31 0.34 7.32 0.00 -0.73 -3.77 105.19 105.93 2hd3 n GLY 60 Ca -0.11 -1.27 0.16 0.00 0.00 0.00 0.00 46.02 44.80 2hd3 n GLY 60 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2hd3 h SER 61 N 0.00 0.00 -0.40 1.61 0.87 -1.90 -0.54 113.55 113.19 2hd3 h SER 61 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2hd3 h SER 61 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2hd3 h SER 61 CO 0.00 0.00 0.21 0.28 -0.53 0.00 0.00 176.83 176.79 2hd3 h SER 62 N 0.00 0.54 -0.96 6.23 0.02 -1.95 -2.12 113.55 115.31 2hd3 h SER 62 Ca 0.14 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2hd3 h SER 62 Cb 0.62 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 2hd3 h SER 62 CO -0.00 0.46 0.64 0.00 -1.14 0.00 0.00 176.83 176.78 2hd3 h ALA 63 N 1.63 1.23 -0.30 3.77 0.00 -1.19 0.19 119.26 124.59 2hd3 h ALA 63 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2hd3 h ALA 63 Cb 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2hd3 h ALA 63 CO -0.02 0.60 0.14 0.00 0.00 0.00 0.00 179.25 179.97 2hd3 h ARG 64 N 1.29 0.43 0.11 0.00 3.08 -1.46 -1.17 114.38 116.67 2hd3 h ARG 64 Ca 0.36 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 2hd3 h ARG 64 Cb -0.13 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.84 2hd3 h ARG 64 CO -0.08 0.42 -0.05 1.96 -1.07 0.00 0.00 179.97 181.15 2hd3 h GLN 65 N 0.34 -0.15 -0.08 0.04 1.08 -1.36 -2.18 115.11 112.80 2hd3 h GLN 65 Ca 0.10 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.33 2hd3 h GLN 65 Cb 0.14 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2hd3 h GLN 65 CO -0.01 -0.02 0.16 0.00 -0.95 0.00 0.00 178.83 178.00 2hd3 h ALA 66 N 0.64 1.45 0.00 3.87 0.00 -0.83 -3.17 119.26 121.22 2hd3 h ALA 66 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hd3 h ALA 66 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2hd3 h ALA 66 CO 0.03 -0.20 -0.03 1.25 0.00 0.00 0.00 179.25 180.30 2hd3 h HIS 67 N 0.00 0.00 0.00 0.00 -0.00 -0.61 -3.49 115.15 111.05 2hd3 h HIS 67 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2hd3 h HIS 67 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 2hd3 h HIS 67 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.93 179.10 2hd3 n LYS 68 N -3.07 0.00 -1.10 5.26 4.81 -0.92 -5.06 118.16 118.08 2hd3 n LYS 68 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hd3 n LYS 68 Cb 0.02 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.07 2hd3 n LYS 68 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2hd3 n SER 69 N -3.05 0.00 0.16 3.14 3.41 -1.16 -4.93 113.62 111.20 2hd3 n SER 69 Ca 0.00 -0.94 0.01 0.00 -0.26 0.00 0.00 58.87 57.68 2hd3 n SER 69 Cb 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 2hd3 n SER 69 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2hd3 h GLU 70 N 0.00 0.00 -0.27 4.33 4.39 -1.93 -2.99 114.58 118.11 2hd3 h GLU 70 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2hd3 h GLU 70 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2hd3 h GLU 70 CO 0.00 0.49 0.00 0.25 -1.16 0.00 0.00 179.01 178.59 2hd3 n THR 71 N -3.87 0.00 -3.28 1.13 -2.24 -1.26 -4.73 114.28 100.02 2hd3 n THR 71 Ca -0.01 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 2hd3 n THR 71 Cb 0.52 -0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.46 2hd3 n THR 71 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2hd3 s SER 72 N -0.88 6.48 -1.45 3.42 0.01 -1.13 -4.79 113.70 115.36 2hd3 s SER 72 Ca 0.00 0.57 -0.12 0.00 1.31 0.00 0.00 55.95 57.71 2hd3 s SER 72 Cb 0.00 -2.27 0.05 0.00 0.21 0.00 0.00 66.02 64.01 2hd3 s SER 72 CO 0.00 -0.19 2.29 -0.81 0.41 0.00 0.00 173.24 174.94 2hd3 n PRO 73 N 4.98 3.20 -4.05 12.44 -0.04 -1.26 -4.77 135.00 145.49 2hd3 n PRO 73 Ca -0.06 -2.74 -0.09 0.00 -0.04 0.00 0.00 63.50 60.58 2hd3 n PRO 73 Cb 0.50 -3.12 -0.10 0.00 -0.04 0.00 0.00 33.50 30.74 2hd3 n PRO 73 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hd3 s VAL 74 N 2.35 0.25 0.00 0.52 -7.23 -1.26 -4.93 120.40 110.09 2hd3 s VAL 74 Ca 0.50 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 2hd3 s VAL 74 Cb 0.14 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.08 2hd3 s VAL 74 CO -0.07 -0.76 0.15 -0.90 -0.31 0.00 0.00 175.10 173.21 2hd3 n ASP 75 N 0.74 0.30 -3.65 4.85 5.68 -1.26 -4.19 116.55 119.02 2hd3 n ASP 75 Ca -0.18 -0.76 -0.19 0.00 -0.50 0.00 0.00 54.79 53.16 2hd3 n ASP 75 Cb 0.58 0.13 -0.16 0.00 -1.14 0.00 0.00 41.12 40.53 2hd3 n ASP 75 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2hd3 s LEU 76 N -0.26 0.02 -0.03 -2.12 0.20 -1.26 -1.76 118.68 113.47 2hd3 s LEU 76 Ca 0.00 0.13 0.01 0.00 0.69 0.00 0.00 54.13 54.97 2hd3 s LEU 76 Cb 0.00 0.11 0.02 0.00 -0.43 0.00 0.00 46.19 45.88 2hd3 s LEU 76 CO 0.00 -0.26 -0.05 0.00 -0.29 0.00 0.00 176.35 175.75 2hd3 s VAL 78 N 0.67 4.73 -0.36 0.00 0.11 -0.99 -0.96 120.40 123.60 2hd3 s VAL 78 Ca -0.09 1.99 0.16 0.00 -2.93 0.00 0.00 61.98 61.11 2hd3 s VAL 78 Cb -0.12 -4.28 -0.22 0.00 -1.53 0.00 0.00 36.38 30.23 2hd3 s VAL 78 CO 0.00 0.05 0.51 2.30 -3.33 0.00 0.00 175.10 174.63 2hd3 n ILE 79 N 4.38 0.00 -3.55 7.04 -6.64 0.87 -4.76 119.36 116.70 2hd3 n ILE 79 Ca 0.08 -0.26 -0.07 0.00 -1.77 0.00 0.00 62.75 60.73 2hd3 n ILE 79 Cb 0.49 0.53 -0.02 0.00 -1.44 0.00 0.00 39.64 39.20 2hd3 n ILE 79 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 2hd3 s GLY 80 N -3.27 -0.42 -0.22 3.28 0.00 -1.21 -4.97 107.32 100.51 2hd3 s GLY 80 Ca -0.00 0.97 -0.04 0.00 0.00 0.00 0.00 44.72 45.64 2hd3 s GLY 80 CO 0.68 0.31 -0.03 -0.42 0.00 0.00 0.00 173.10 173.63 2hd3 s ILE 81 N -3.04 3.48 0.07 0.90 1.09 -1.26 -0.50 121.20 121.93 2hd3 s ILE 81 Ca 0.07 -0.46 -0.31 0.00 -1.10 0.00 0.00 60.65 58.85 2hd3 s ILE 81 Cb -0.01 -2.58 -0.09 0.00 -1.06 0.00 0.00 42.46 38.72 2hd3 s ILE 81 CO -0.07 0.42 1.72 -0.69 -0.10 0.00 0.00 174.94 176.22 2hd3 s VAL 82 N 1.39 2.97 -0.02 2.92 1.01 -0.81 -4.89 120.40 122.96 2hd3 s VAL 82 Ca 0.05 0.37 0.12 0.00 0.00 0.00 0.00 61.98 62.51 2hd3 s VAL 82 Cb -0.14 -3.23 -0.18 0.00 0.00 0.00 0.00 36.38 32.83 2hd3 s VAL 82 CO -0.02 -0.01 0.95 0.44 0.00 0.00 0.00 175.10 176.47 2hd3 h ASP 83 N 8.71 0.00 -4.28 3.32 3.32 -1.94 -3.39 116.42 122.16 2hd3 h ASP 83 Ca -0.44 0.00 0.26 0.00 0.02 0.00 0.00 57.03 56.87 2hd3 h ASP 83 Cb 1.21 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.57 2hd3 h ASP 83 CO 0.94 0.87 0.82 -1.83 -1.72 0.00 0.00 179.24 178.31 2hd3 s GLU 84 N -2.73 0.30 -0.16 3.56 -1.05 -1.26 0.54 118.70 117.90 2hd3 s GLU 84 Ca -0.02 -0.11 -0.03 0.00 -0.15 0.00 0.00 54.97 54.66 2hd3 s GLU 84 Cb 0.09 0.13 0.05 0.00 -0.44 0.00 0.00 34.13 33.96 2hd3 s GLU 84 CO 0.81 -0.13 0.04 0.08 0.95 0.00 0.00 175.26 177.01 2hd3 s VAL 85 N -2.40 0.33 0.57 1.83 1.01 0.17 -4.94 120.40 116.97 2hd3 s VAL 85 Ca 0.10 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.90 2hd3 s VAL 85 Cb -0.01 -0.78 0.08 0.00 0.00 0.00 0.00 36.38 35.68 2hd3 s VAL 85 CO -0.04 -0.11 0.78 0.68 0.00 0.00 0.00 175.10 176.41 2hd3 s VAL 86 N 1.96 2.18 -0.31 2.92 -7.23 -1.26 0.12 120.40 118.78 2hd3 s VAL 86 Ca 0.01 -1.00 -0.10 0.00 -1.81 0.00 0.00 61.98 59.09 2hd3 s VAL 86 Cb -0.16 -2.18 0.19 0.00 0.56 0.00 0.00 36.38 34.79 2hd3 s VAL 86 CO -0.07 0.00 1.04 -0.55 -0.31 0.00 0.00 175.10 175.21 2hd3 s SER 87 N -4.65 -0.38 -0.99 4.85 0.15 0.02 -4.77 113.70 107.92 2hd3 s SER 87 Ca 0.62 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2hd3 s SER 87 Cb -0.06 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 2hd3 s SER 87 CO 0.39 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2hd3 n GLY 88 N 4.30 0.65 0.35 9.45 0.00 -1.26 -2.28 105.19 116.40 2hd3 n GLY 88 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2hd3 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hd3 n GLY 89 N -1.42 0.44 3.69 -0.02 0.00 -1.26 -5.06 105.19 101.56 2hd3 n GLY 89 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 2hd3 n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hd3 s GLN 90 N -0.88 4.17 -0.66 1.61 -0.21 -0.97 -5.05 119.66 117.67 2hd3 s GLN 90 Ca 0.00 -0.04 -0.26 0.00 0.02 0.00 0.00 55.36 55.08 2hd3 s GLN 90 Cb 0.00 -3.49 0.04 0.00 1.00 0.00 0.00 33.01 30.56 2hd3 s GLN 90 CO 0.00 0.12 1.14 0.08 -2.12 0.00 0.00 175.29 174.52 2hd3 s VAL 91 N 0.84 4.01 0.22 1.09 1.01 -1.26 -0.80 120.40 125.51 2hd3 s VAL 91 Ca 0.13 0.30 0.11 0.00 0.00 0.00 0.00 61.98 62.52 2hd3 s VAL 91 Cb -0.13 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 2hd3 s VAL 91 CO 0.04 -1.56 1.56 0.40 0.00 0.00 0.00 175.10 175.54 2hd3 h ILE 92 N 6.04 1.41 -2.91 2.22 2.04 0.61 -3.45 117.51 123.46 2hd3 h ILE 92 Ca -0.27 -2.30 -0.12 0.00 1.00 0.00 0.00 64.86 63.17 2hd3 h ILE 92 Cb 1.06 2.26 -0.22 0.00 -0.74 0.00 0.00 36.82 39.18 2hd3 h ILE 92 CO 1.21 0.64 -0.26 0.12 0.00 0.00 0.00 178.15 179.86 2hd3 s PHE 93 N -3.42 -0.30 -0.02 1.37 2.19 -1.06 -4.94 117.98 111.81 2hd3 s PHE 93 Ca -0.01 0.62 -0.01 0.00 0.33 0.00 0.00 56.93 57.87 2hd3 s PHE 93 Cb 0.12 0.13 0.02 0.00 -1.31 0.00 0.00 43.02 41.97 2hd3 s PHE 93 CO 0.76 -0.31 0.05 -1.58 1.83 0.00 0.00 175.22 175.97 2hd3 s HIS 94 N -0.64 -0.03 0.22 10.12 2.46 -1.26 -0.65 115.29 125.50 2hd3 s HIS 94 Ca -0.07 0.15 -0.30 0.00 0.47 0.00 0.00 55.06 55.31 2hd3 s HIS 94 Cb -0.04 -0.08 -0.08 0.00 -0.13 0.00 0.00 32.58 32.24 2hd3 s HIS 94 CO 0.03 -0.06 1.00 0.21 -2.47 0.00 0.00 174.74 173.44 2hd3 s LYS 95 N 0.52 4.75 0.00 2.88 2.20 0.19 -4.92 119.74 125.36 2hd3 s LYS 95 Ca -0.04 1.58 0.31 0.00 -0.36 0.00 0.00 55.97 57.46 2hd3 s LYS 95 Cb -0.06 -3.28 1.72 0.00 -1.51 0.00 0.00 37.83 34.71 2hd3 s LYS 95 CO -0.02 0.35 2.12 1.28 -0.36 0.00 0.00 175.35 178.72