#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 4.02 0.24 -0.35 1.43 -1.26 -1.15 118.68 121.62 2hd3 s LEU 3 Ca 0.00 1.96 -0.21 0.00 -1.03 0.00 0.00 54.13 54.85 2hd3 s LEU 3 Cb 0.00 -4.34 0.03 0.00 0.03 0.00 0.00 46.19 41.91 2hd3 s LEU 3 CO 0.00 -0.57 0.66 0.00 0.23 0.00 0.00 176.35 176.67 2hd3 s ALA 4 N -1.82 -1.26 -0.10 4.21 0.00 -0.88 -1.58 121.76 120.33 2hd3 s ALA 4 Ca 0.61 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.49 2hd3 s ALA 4 Cb -0.19 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.81 2hd3 s ALA 4 CO 0.23 -0.94 -0.17 0.54 0.00 0.00 0.00 175.76 175.43 2hd3 s VAL 5 N -3.87 1.55 0.11 0.00 0.11 0.49 -0.78 120.40 118.01 2hd3 s VAL 5 Ca 0.09 -0.70 -0.31 0.00 -2.93 0.00 0.00 61.98 58.13 2hd3 s VAL 5 Cb -0.04 -1.39 -0.08 0.00 -1.53 0.00 0.00 36.38 33.34 2hd3 s VAL 5 CO 0.01 0.45 1.46 -0.69 -3.33 0.00 0.00 175.10 173.00 2hd3 s VAL 6 N 0.74 3.13 -0.04 2.04 1.01 -0.86 -1.50 120.40 124.92 2hd3 s VAL 6 Ca -0.12 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.70 2hd3 s VAL 6 Cb -0.16 -3.50 0.09 0.00 0.00 0.00 0.00 36.38 32.81 2hd3 s VAL 6 CO 0.02 0.05 0.98 0.35 0.00 0.00 0.00 175.10 176.51 2hd3 n THR 7 N 4.08 0.70 -0.16 3.92 -2.24 -1.26 -0.70 114.28 118.62 2hd3 n THR 7 Ca 0.13 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2hd3 n THR 7 Cb 0.41 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.51 -1.74 3.14 3.38 0.00 -1.26 -4.93 105.19 103.27 2hd3 n GLY 8 Ca 0.05 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.94 0.51 -0.10 1.61 0.74 -1.26 -4.67 119.66 114.55 2hd3 s GLN 9 Ca 0.00 -0.28 0.04 0.00 0.05 0.00 0.00 55.36 55.17 2hd3 s GLN 9 Cb 0.00 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.33 2hd3 s GLN 9 CO 0.00 -0.12 -0.23 0.42 -0.55 0.00 0.00 175.29 174.80 2hd3 s ILE 10 N -1.22 2.00 0.01 -2.34 1.09 -0.32 -5.00 121.20 115.42 2hd3 s ILE 10 Ca -0.13 -0.99 0.03 0.00 -1.10 0.00 0.00 60.65 58.46 2hd3 s ILE 10 Cb -0.06 -1.73 -0.04 0.00 -1.06 0.00 0.00 42.46 39.57 2hd3 s ILE 10 CO 0.02 0.55 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.68 2hd3 s VAL 11 N 0.33 3.84 -0.38 2.92 1.01 -1.26 -3.90 120.40 122.96 2hd3 s VAL 11 Ca -0.18 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.10 2hd3 s VAL 11 Cb -0.18 -2.70 0.16 0.00 0.00 0.00 0.00 36.38 33.67 2hd3 s VAL 11 CO 0.08 0.36 0.46 0.00 0.00 0.00 0.00 175.10 176.00 2hd3 h THR 13 N 5.05 1.31 0.00 0.00 1.35 -2.04 -3.51 112.91 115.07 2hd3 h THR 13 Ca 0.05 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 2hd3 h THR 13 Cb 1.10 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 2hd3 h THR 13 CO 0.17 0.66 0.00 1.33 -0.25 0.00 0.00 175.52 177.43 2hd3 n VAL 14 N -3.87 0.00 0.00 6.82 0.24 -1.26 -5.31 118.33 114.95 2hd3 n VAL 14 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2hd3 n VAL 14 Cb 0.79 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 2hd3 n VAL 14 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2hd3 n HIS 21 N 0.22 0.00 -1.78 6.34 8.25 -1.26 -5.35 115.22 121.64 2hd3 n HIS 21 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2hd3 n HIS 21 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2hd3 n HIS 21 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hd3 s ASP 22 N -4.00 6.35 0.41 0.41 1.11 -1.26 -4.98 116.67 114.71 2hd3 s ASP 22 Ca 0.00 2.36 0.06 0.00 0.18 0.00 0.00 52.55 55.15 2hd3 s ASP 22 Cb 0.00 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.47 2hd3 s ASP 22 CO 0.00 -1.18 0.57 -0.54 1.18 0.00 0.00 175.17 175.20 2hd3 s LYS 23 N 4.66 2.89 -0.15 8.23 1.02 -1.13 -4.93 119.74 130.34 2hd3 s LYS 23 Ca 0.85 -1.08 -0.02 0.00 0.02 0.00 0.00 55.97 55.75 2hd3 s LYS 23 Cb -0.37 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 2hd3 s LYS 23 CO 0.37 -0.23 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.97 2hd3 s LEU 24 N -4.36 2.90 0.00 3.17 1.43 -1.25 -1.41 118.68 119.16 2hd3 s LEU 24 Ca 0.52 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2hd3 s LEU 24 Cb -0.10 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.44 2hd3 s LEU 24 CO 0.33 0.15 0.00 0.18 0.23 0.00 0.00 176.35 177.24 2hd3 n LEU 25 N 3.66 0.00 0.00 1.79 4.77 0.98 -1.17 117.00 127.03 2hd3 n LEU 25 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2hd3 n LEU 25 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2hd3 n LEU 25 CO 0.31 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.70 2hd3 n VAL 27 N 0.00 0.00 -3.27 4.08 0.24 -0.25 -1.67 118.33 117.46 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 -0.63 1.48 -3.71 7.34 4.07 -0.56 -0.42 120.64 128.21 2hd3 n GLU 28 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 2hd3 n GLU 28 Cb 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.28 2hd3 n GLU 28 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2hd3 s ILE 30 N -0.53 -0.00 0.85 6.31 -1.09 -0.62 -0.38 121.20 125.75 2hd3 s ILE 30 Ca 0.00 0.01 -0.11 0.00 -2.23 0.00 0.00 60.65 58.32 2hd3 s ILE 30 Cb 0.00 -0.64 0.15 0.00 -1.58 0.00 0.00 42.46 40.39 2hd3 s ILE 30 CO 0.00 0.00 1.19 1.51 -1.23 0.00 0.00 174.94 176.41 2hd3 s ASP 31 N 0.38 3.83 0.06 3.58 3.84 0.07 -4.67 116.67 123.76 2hd3 s ASP 31 Ca -0.01 0.23 0.11 0.00 -0.00 0.00 0.00 52.55 52.88 2hd3 s ASP 31 Cb -0.04 -0.50 0.50 0.00 -1.38 0.00 0.00 42.92 41.50 2hd3 s ASP 31 CO -0.01 -2.26 1.35 -0.81 -0.00 0.00 0.00 175.17 173.44 2hd3 n PRO 32 N -3.38 0.03 0.04 2.11 -0.04 -1.26 -2.32 135.00 130.19 2hd3 n PRO 32 Ca 0.13 0.38 -0.07 0.00 -0.04 0.00 0.00 63.50 63.90 2hd3 n PRO 32 Cb 0.60 -1.58 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 2hd3 n PRO 32 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2hd3 h GLN 33 N 0.00 0.00 0.00 0.54 4.20 -2.04 -3.48 115.11 114.33 2hd3 h GLN 33 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2hd3 h GLN 33 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2hd3 h GLN 33 CO 0.00 0.85 0.00 0.41 -0.67 0.00 0.00 178.83 179.42 2hd3 n GLY 34 N 1.41 1.04 3.59 3.46 0.00 -0.98 -5.02 105.19 108.68 2hd3 n GLY 34 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2hd3 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hd3 s ASN 35 N -0.57 4.59 0.20 1.61 -0.87 -1.26 -4.86 114.94 113.78 2hd3 s ASN 35 Ca 0.00 -0.15 -0.31 0.00 -1.57 0.00 0.00 52.86 50.83 2hd3 s ASN 35 Cb 0.00 -1.06 -0.10 0.00 -0.02 0.00 0.00 41.25 40.07 2hd3 s ASN 35 CO 0.00 0.28 1.53 -2.16 -2.57 0.00 0.00 177.10 174.18 2hd3 s PRO 36 N -1.39 4.22 0.09 -0.60 0.04 -1.26 -0.75 135.00 135.35 2hd3 s PRO 36 Ca 0.17 2.36 0.24 0.00 0.04 0.00 0.00 61.00 63.81 2hd3 s PRO 36 Cb -0.11 -3.13 0.94 0.00 0.04 0.00 0.00 34.50 32.25 2hd3 s PRO 36 CO 0.07 -0.55 1.74 -0.40 0.04 0.00 0.00 177.00 177.90 2hd3 n ASP 37 N 3.30 0.28 0.00 6.66 5.68 -1.26 -4.85 116.55 126.36 2hd3 n ASP 37 Ca 0.11 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 2hd3 n ASP 37 Cb 0.39 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 2hd3 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hd3 n GLY 38 N 0.83 0.22 3.66 6.12 0.00 -1.26 -5.06 105.19 109.70 2hd3 n GLY 38 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.90 4.26 -0.10 1.61 -0.21 -1.26 -5.03 119.66 118.03 2hd3 s GLN 39 Ca 0.00 1.22 -0.04 0.00 0.02 0.00 0.00 55.36 56.56 2hd3 s GLN 39 Cb 0.00 -3.62 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 2hd3 s GLN 39 CO 0.00 -0.53 0.04 0.00 -2.12 0.00 0.00 175.29 172.68 2hd3 s ALA 41 N -0.82 -0.04 0.17 0.00 0.00 0.44 -4.99 121.76 116.52 2hd3 s ALA 41 Ca 0.13 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 2hd3 s ALA 41 Cb -0.12 1.11 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 2hd3 s ALA 41 CO 0.03 -0.82 0.39 0.08 0.00 0.00 0.00 175.76 175.43 2hd3 s VAL 42 N -4.00 5.18 -0.20 0.00 1.01 -1.26 -1.09 120.40 120.04 2hd3 s VAL 42 Ca 0.25 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 2hd3 s VAL 42 Cb 0.00 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.76 2hd3 s VAL 42 CO 0.10 -0.07 0.51 0.00 0.00 0.00 0.00 175.10 175.63 2hd3 s ALA 43 N -1.77 -1.30 0.12 5.51 0.00 -0.67 -4.56 121.76 119.09 2hd3 s ALA 43 Ca 0.40 1.65 -0.30 0.00 0.00 0.00 0.00 51.96 53.71 2hd3 s ALA 43 Cb -0.12 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.96 2hd3 s ALA 43 CO 0.27 -0.28 1.01 -1.50 0.00 0.00 0.00 175.76 175.26 2hd3 s ILE 44 N 0.94 4.35 -0.12 0.00 1.10 -0.79 -0.01 121.20 126.66 2hd3 s ILE 44 Ca -0.05 1.94 -0.01 0.00 -0.51 0.00 0.00 60.65 62.02 2hd3 s ILE 44 Cb -0.06 -4.24 0.03 0.00 0.15 0.00 0.00 42.46 38.35 2hd3 s ILE 44 CO -0.08 0.29 -0.06 -0.62 -2.11 0.00 0.00 174.94 172.36 2hd3 s ASP 45 N 0.07 2.31 0.00 4.50 2.15 -0.50 -1.82 116.67 123.38 2hd3 s ASP 45 Ca 0.48 -0.39 0.05 0.00 0.43 0.00 0.00 52.55 53.12 2hd3 s ASP 45 Cb -0.25 -0.82 0.05 0.00 -0.30 0.00 0.00 42.92 41.60 2hd3 s ASP 45 CO 0.31 -0.15 0.70 -0.46 -0.17 0.00 0.00 175.17 175.40 2hd3 n ASN 46 N 4.95 1.51 0.06 -0.34 0.23 -1.26 -2.84 115.26 117.57 2hd3 n ASN 46 Ca -0.12 -1.29 -0.22 0.00 -0.53 0.00 0.00 54.58 52.42 2hd3 n ASN 46 Cb 0.49 -0.01 -0.15 0.00 -2.08 0.00 0.00 39.78 38.04 2hd3 n ASN 46 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2hd3 h ILE 47 N 0.92 1.13 0.00 1.53 1.08 -1.92 -3.49 117.51 116.75 2hd3 h ILE 47 Ca 0.00 -2.51 0.00 0.00 -0.39 0.00 0.00 64.86 61.96 2hd3 h ILE 47 Cb 0.24 2.87 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 2hd3 h ILE 47 CO 0.00 0.77 0.00 0.61 -0.69 0.00 0.00 178.15 178.84 2hd3 n GLY 48 N 1.76 0.89 3.76 5.37 0.00 -1.26 -5.11 105.19 110.60 2hd3 n GLY 48 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.21 3.42 0.53 4.61 0.00 -1.26 -5.07 121.76 122.77 2hd3 s ALA 49 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.31 2hd3 s ALA 49 Cb 0.00 -2.93 0.05 0.00 0.00 0.00 0.00 23.12 20.24 2hd3 s ALA 49 CO 0.00 0.16 0.64 0.20 0.00 0.00 0.00 175.76 176.77 2hd3 s GLY 50 N -0.45 1.92 0.43 0.00 0.00 -1.26 -5.06 107.32 102.90 2hd3 s GLY 50 Ca 0.36 -1.88 -0.24 0.00 0.00 0.00 0.00 44.72 42.96 2hd3 s GLY 50 CO 0.23 -1.70 1.20 -1.08 0.00 0.00 0.00 173.10 171.75 2hd3 s THR 51 N -2.61 2.99 0.00 0.90 -1.32 -1.26 -2.86 115.64 111.48 2hd3 s THR 51 Ca 0.54 0.80 0.00 0.00 -1.21 0.00 0.00 61.69 61.82 2hd3 s THR 51 Cb -0.06 -3.44 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 2hd3 s THR 51 CO 0.34 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.40 2hd3 n GLY 52 N 0.58 2.17 3.75 6.08 0.00 0.12 -4.99 105.19 112.90 2hd3 n GLY 52 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.35 4.36 0.30 1.61 2.02 -1.13 -4.75 118.70 120.76 2hd3 s GLU 53 Ca 0.00 0.78 -0.29 0.00 0.02 0.00 0.00 54.97 55.48 2hd3 s GLU 53 Cb 0.00 -3.37 -0.10 0.00 0.10 0.00 0.00 34.13 30.76 2hd3 s GLU 53 CO 0.00 0.28 1.14 -1.58 0.02 0.00 0.00 175.26 175.13 2hd3 s TRP 54 N 0.09 3.44 0.19 1.61 0.52 -1.26 -2.03 118.94 121.50 2hd3 s TRP 54 Ca 0.33 1.63 0.03 0.00 0.02 0.00 0.00 56.10 58.11 2hd3 s TRP 54 Cb -0.18 -3.37 -0.05 0.00 -1.15 0.00 0.00 33.47 28.72 2hd3 s TRP 54 CO 0.17 -0.85 -0.02 0.14 0.02 0.00 0.00 176.95 176.41 2hd3 s VAL 55 N -1.18 0.94 -0.19 4.03 -7.23 0.04 -0.93 120.40 115.87 2hd3 s VAL 55 Ca 0.46 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.56 2hd3 s VAL 55 Cb -0.33 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 2hd3 s VAL 55 CO 0.43 -0.46 0.00 -0.22 -0.31 0.00 0.00 175.10 174.55 2hd3 s LEU 56 N -3.23 3.32 -0.06 1.32 2.96 -0.18 -2.08 118.68 120.73 2hd3 s LEU 56 Ca 0.25 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 2hd3 s LEU 56 Cb 0.05 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2hd3 s LEU 56 CO 0.05 0.09 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.28 2hd3 s LEU 57 N 0.87 2.81 -0.06 -0.68 1.43 -0.30 -1.08 118.68 121.68 2hd3 s LEU 57 Ca 0.01 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2hd3 s LEU 57 Cb -0.14 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2hd3 s LEU 57 CO 0.02 0.34 -0.23 0.54 0.23 0.00 0.00 176.35 177.24 2hd3 s VAL 58 N -0.68 1.93 0.82 -1.59 0.11 -0.44 -1.21 120.40 119.35 2hd3 s VAL 58 Ca 0.10 -0.99 -0.12 0.00 -2.93 0.00 0.00 61.98 58.04 2hd3 s VAL 58 Cb -0.11 -1.65 0.09 0.00 -1.53 0.00 0.00 36.38 33.19 2hd3 s VAL 58 CO 0.01 0.54 1.18 -0.44 -3.33 0.00 0.00 175.10 173.06 2hd3 s SER 59 N -0.05 4.38 -0.93 3.54 0.01 -1.26 -2.33 113.70 117.07 2hd3 s SER 59 Ca -0.06 0.71 -0.11 0.00 1.31 0.00 0.00 55.95 57.80 2hd3 s SER 59 Cb -0.14 -1.16 0.11 0.00 0.21 0.00 0.00 66.02 65.03 2hd3 s SER 59 CO 0.04 -1.97 0.30 0.61 0.41 0.00 0.00 173.24 172.63 2hd3 n GLY 60 N -3.34 -0.46 3.55 3.44 0.00 -0.54 -4.81 105.19 103.04 2hd3 n GLY 60 Ca 0.09 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2hd3 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hd3 s SER 61 N -2.59 5.85 0.00 1.61 1.04 -0.56 -4.92 113.70 114.13 2hd3 s SER 61 Ca 0.39 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2hd3 s SER 61 Cb -0.22 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2hd3 s SER 61 CO 0.47 -2.02 0.00 -1.54 0.98 0.00 0.00 173.24 171.14 2hd3 n SER 62 N 10.58 0.00 -1.67 7.02 3.41 -1.26 -3.03 113.62 128.66 2hd3 n SER 62 Ca 0.10 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.69 2hd3 n SER 62 Cb 0.50 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2hd3 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hd3 n ALA 63 N -3.00 1.03 -0.10 7.33 0.00 -1.26 -5.05 120.51 119.46 2hd3 n ALA 63 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2hd3 n ALA 63 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2hd3 n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hd3 n VAL 74 N -0.57 0.00 0.00 0.00 0.31 -1.17 -5.31 118.33 111.59 2hd3 n VAL 74 Ca -0.12 0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2hd3 n VAL 74 Cb 0.64 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 2hd3 n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2hd3 n ASP 75 N -2.38 0.00 -4.76 4.52 4.64 -1.26 -1.49 116.55 115.82 2hd3 n ASP 75 Ca 0.00 0.27 -0.36 0.00 -1.38 0.00 0.00 54.79 53.32 2hd3 n ASP 75 Cb 0.00 -0.32 -0.07 0.00 -1.04 0.00 0.00 41.12 39.69 2hd3 n ASP 75 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2hd3 s LEU 76 N -3.10 4.26 -0.03 -2.67 1.02 -1.26 -1.46 118.68 115.43 2hd3 s LEU 76 Ca 0.00 0.39 -0.02 0.00 0.02 0.00 0.00 54.13 54.52 2hd3 s LEU 76 Cb 0.00 -2.20 0.02 0.00 0.02 0.00 0.00 46.19 44.03 2hd3 s LEU 76 CO 0.00 0.20 0.08 0.00 0.02 0.00 0.00 176.35 176.66 2hd3 s VAL 78 N 0.36 3.84 0.00 0.00 1.01 -0.75 -1.33 120.40 123.52 2hd3 s VAL 78 Ca -0.03 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.73 2hd3 s VAL 78 Cb -0.04 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2hd3 s VAL 78 CO -0.01 0.39 0.09 2.30 0.00 0.00 0.00 175.10 177.87 2hd3 n ILE 79 N 1.61 0.00 -3.56 2.22 -5.35 -0.24 -4.75 119.36 109.29 2hd3 n ILE 79 Ca -0.01 -0.15 -0.14 0.00 -0.27 0.00 0.00 62.75 62.18 2hd3 n ILE 79 Cb 0.46 1.41 -0.06 0.00 -1.74 0.00 0.00 39.64 39.71 2hd3 n ILE 79 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2hd3 s GLY 80 N -0.13 -0.42 -0.05 3.28 0.00 -1.24 -4.97 107.32 103.79 2hd3 s GLY 80 Ca 0.00 1.73 -0.03 0.00 0.00 0.00 0.00 44.72 46.42 2hd3 s GLY 80 CO 0.00 1.07 0.11 -0.42 0.00 0.00 0.00 173.10 173.85 2hd3 s ILE 81 N -1.02 5.05 -0.15 0.90 1.01 -1.26 -1.01 121.20 124.71 2hd3 s ILE 81 Ca -0.06 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 2hd3 s ILE 81 Cb -0.01 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2hd3 s ILE 81 CO 0.05 0.47 0.35 -0.69 0.00 0.00 0.00 174.94 175.13 2hd3 s VAL 82 N -1.12 5.27 -0.18 2.92 1.01 -0.11 -4.91 120.40 123.28 2hd3 s VAL 82 Ca 0.20 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.88 2hd3 s VAL 82 Cb -0.12 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.35 2hd3 s VAL 82 CO 0.10 0.36 0.12 0.47 0.00 0.00 0.00 175.10 176.15 2hd3 n ASP 83 N 3.68 1.57 -3.46 3.32 8.00 -1.26 -4.57 116.55 123.83 2hd3 n ASP 83 Ca -0.10 0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.36 2hd3 n ASP 83 Cb 0.52 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 2hd3 n ASP 83 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2hd3 s GLU 84 N -2.54 1.13 -0.04 -1.24 -1.05 -1.26 0.77 118.70 114.48 2hd3 s GLU 84 Ca -0.23 -0.42 -0.01 0.00 -0.15 0.00 0.00 54.97 54.15 2hd3 s GLU 84 Cb 0.08 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.31 2hd3 s GLU 84 CO 0.72 -0.50 0.07 0.08 0.95 0.00 0.00 175.26 176.59 2hd3 s VAL 85 N -3.53 -0.06 -0.06 1.83 1.01 -0.67 -4.98 120.40 113.94 2hd3 s VAL 85 Ca 0.03 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.27 2hd3 s VAL 85 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 2hd3 s VAL 85 CO -0.11 0.08 -0.25 -0.69 0.00 0.00 0.00 175.10 174.14 2hd3 s VAL 86 N 1.10 2.01 0.00 2.92 1.01 -1.26 -1.78 120.40 124.41 2hd3 s VAL 86 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2hd3 s VAL 86 Cb -0.12 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2hd3 s VAL 86 CO -0.04 0.56 0.00 -1.20 0.00 0.00 0.00 175.10 174.42 2hd3 n SER 87 N 2.96 0.00 -3.59 3.32 7.64 -0.78 -4.88 113.62 118.30 2hd3 n SER 87 Ca -0.17 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.27 2hd3 n SER 87 Cb 0.52 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 2hd3 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hd3 n GLY 88 N 5.00 2.11 2.37 0.23 0.00 -1.26 -4.03 105.19 109.61 2hd3 n GLY 88 Ca 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 4.62 -0.18 2.91 -0.02 0.00 -1.26 -4.93 105.19 106.33 2hd3 n GLY 89 Ca 0.49 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.30 2hd3 n GLY 89 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hd3 s GLN 90 N -4.71 0.99 -0.21 1.61 2.00 -1.26 -5.10 119.66 112.98 2hd3 s GLN 90 Ca 0.00 -0.16 -0.29 0.00 -2.00 0.00 0.00 55.36 52.91 2hd3 s GLN 90 Cb 0.00 -0.95 -0.01 0.00 0.80 0.00 0.00 33.01 32.85 2hd3 s GLN 90 CO 0.00 -0.07 1.28 0.08 -0.50 0.00 0.00 175.29 176.09 2hd3 s VAL 91 N 0.89 4.22 -0.25 1.34 1.01 -1.26 -1.86 120.40 124.49 2hd3 s VAL 91 Ca -0.11 1.45 0.20 0.00 0.00 0.00 0.00 61.98 63.51 2hd3 s VAL 91 Cb -0.15 -4.05 -0.29 0.00 0.00 0.00 0.00 36.38 31.90 2hd3 s VAL 91 CO 0.01 -0.26 0.54 2.30 0.00 0.00 0.00 175.10 177.68 2hd3 n ILE 92 N 5.69 0.00 -3.72 2.22 -5.35 -0.73 -4.98 119.36 112.49 2hd3 n ILE 92 Ca 0.14 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 62.14 2hd3 n ILE 92 Cb 0.45 0.29 -0.10 0.00 -1.74 0.00 0.00 39.64 38.55 2hd3 n ILE 92 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2hd3 s PHE 93 N -3.25 -0.47 -0.19 4.28 2.19 -1.22 -4.99 117.98 114.34 2hd3 s PHE 93 Ca -0.04 1.11 -0.08 0.00 0.33 0.00 0.00 56.93 58.25 2hd3 s PHE 93 Cb 0.13 0.17 0.08 0.00 -1.31 0.00 0.00 43.02 42.09 2hd3 s PHE 93 CO 0.82 -0.25 0.43 -1.58 1.83 0.00 0.00 175.22 176.47 2hd3 s HIS 94 N 0.08 -0.75 -0.46 10.12 2.46 -1.26 -1.67 115.29 123.82 2hd3 s HIS 94 Ca -0.01 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.00 2hd3 s HIS 94 Cb -0.03 0.32 0.00 0.00 -0.13 0.00 0.00 32.58 32.74 2hd3 s HIS 94 CO 0.01 -0.43 0.11 1.17 -2.47 0.00 0.00 174.74 173.13