#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 3.66 0.21 -5.58 1.43 -1.26 -0.33 118.68 116.81 2hd3 s LEU 3 Ca 0.00 1.90 -0.22 0.00 -1.03 0.00 0.00 54.13 54.79 2hd3 s LEU 3 Cb 0.00 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.72 2hd3 s LEU 3 CO 0.00 -1.03 0.63 0.00 0.23 0.00 0.00 176.35 176.18 2hd3 s ALA 4 N -2.20 -1.38 -0.06 4.21 0.00 -0.08 -2.53 121.76 119.74 2hd3 s ALA 4 Ca 0.66 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.77 2hd3 s ALA 4 Cb -0.17 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2hd3 s ALA 4 CO 0.29 -0.87 -0.21 0.54 0.00 0.00 0.00 175.76 175.51 2hd3 s VAL 5 N -3.83 1.74 -0.23 0.00 0.11 0.49 0.19 120.40 118.88 2hd3 s VAL 5 Ca 0.06 -0.88 -0.29 0.00 -2.93 0.00 0.00 61.98 57.93 2hd3 s VAL 5 Cb -0.03 -1.49 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 2hd3 s VAL 5 CO -0.04 0.49 1.39 -0.69 -3.33 0.00 0.00 175.10 172.92 2hd3 s VAL 6 N 0.02 4.03 -0.16 2.04 1.01 -0.17 -0.09 120.40 127.08 2hd3 s VAL 6 Ca -0.06 1.19 0.18 0.00 0.00 0.00 0.00 61.98 63.30 2hd3 s VAL 6 Cb -0.13 -3.95 -0.27 0.00 0.00 0.00 0.00 36.38 32.02 2hd3 s VAL 6 CO 0.04 -0.31 0.47 0.35 0.00 0.00 0.00 175.10 175.64 2hd3 n THR 7 N 5.97 0.00 -1.79 3.92 -2.24 -1.26 -0.04 114.28 118.84 2hd3 n THR 7 Ca 0.16 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2hd3 n THR 7 Cb 0.45 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.45 1.67 3.51 3.38 0.00 -1.26 -4.90 105.19 109.04 2hd3 n GLY 8 Ca -0.02 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 1.90 0.93 -0.14 1.61 0.74 -1.26 -4.57 119.66 118.87 2hd3 s GLN 9 Ca 0.00 0.44 0.02 0.00 0.05 0.00 0.00 55.36 55.87 2hd3 s GLN 9 Cb 0.00 0.44 0.00 0.00 1.10 0.00 0.00 33.01 34.56 2hd3 s GLN 9 CO 0.00 -0.24 -0.20 0.42 -0.55 0.00 0.00 175.29 174.72 2hd3 s ILE 10 N -0.70 2.27 -0.12 -2.34 1.09 0.17 -4.98 121.20 116.59 2hd3 s ILE 10 Ca -0.08 -0.91 -0.12 0.00 -1.10 0.00 0.00 60.65 58.44 2hd3 s ILE 10 Cb -0.02 -1.92 -0.05 0.00 -1.06 0.00 0.00 42.46 39.41 2hd3 s ILE 10 CO 0.07 0.54 0.27 -0.69 -0.10 0.00 0.00 174.94 175.02 2hd3 s VAL 11 N 0.75 5.30 -0.29 2.92 1.01 -1.26 -4.15 120.40 124.68 2hd3 s VAL 11 Ca -0.08 0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 2hd3 s VAL 11 Cb -0.16 -3.58 0.11 0.00 0.00 0.00 0.00 36.38 32.75 2hd3 s VAL 11 CO -0.00 0.49 0.17 0.00 0.00 0.00 0.00 175.10 175.75 2hd3 h THR 13 N 6.38 1.36 -3.61 0.00 2.02 -2.03 -3.39 112.91 113.63 2hd3 h THR 13 Ca -0.18 -1.27 -0.65 0.00 0.77 0.00 0.00 66.41 65.08 2hd3 h THR 13 Cb 1.03 1.98 -0.16 0.00 -1.74 0.00 0.00 68.15 69.26 2hd3 h THR 13 CO 0.41 0.36 -0.09 -0.69 0.37 0.00 0.00 175.52 175.89 2hd3 s VAL 14 N -4.27 5.04 0.22 3.16 1.01 -1.26 -5.02 120.40 119.27 2hd3 s VAL 14 Ca -0.15 0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 2hd3 s VAL 14 Cb 0.04 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2hd3 s VAL 14 CO 0.73 -0.22 0.55 0.00 0.00 0.00 0.00 175.10 176.16 2hd3 s ARG 15 N 2.34 1.47 0.28 2.72 1.70 -1.26 -5.14 118.95 121.06 2hd3 s ARG 15 Ca 0.17 -0.95 -0.30 0.00 -0.47 0.00 0.00 55.73 54.18 2hd3 s ARG 15 Cb -0.16 0.53 -0.12 0.00 -0.57 0.00 0.00 34.95 34.63 2hd3 s ARG 15 CO 0.13 -0.63 1.60 1.58 -1.08 0.00 0.00 175.30 176.90 2hd3 n HIS 16 N -0.37 2.77 0.23 5.89 -0.00 -1.26 -4.86 115.22 117.63 2hd3 n HIS 16 Ca -0.08 0.24 0.15 0.00 -0.00 0.00 0.00 57.72 58.03 2hd3 n HIS 16 Cb 0.62 -2.59 0.79 0.00 -0.00 0.00 0.00 29.99 28.80 2hd3 n HIS 16 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2hd3 h HIS 17 N 5.00 0.00 0.00 1.57 -0.00 -2.01 -1.77 115.15 117.95 2hd3 h HIS 17 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 2hd3 h HIS 17 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 2hd3 h HIS 17 CO 0.59 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.93 2hd3 n GLY 18 N -1.22 -1.40 0.11 2.45 0.00 -1.26 -2.86 105.19 101.01 2hd3 n GLY 18 Ca -0.02 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2hd3 n GLY 18 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2hd3 h LEU 19 N 0.00 0.00 0.00 0.99 3.38 -1.69 -3.42 115.31 114.57 2hd3 h LEU 19 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2hd3 h LEU 19 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2hd3 h LEU 19 CO 0.00 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.58 2hd3 n ALA 20 N -1.90 0.00 0.13 1.53 0.00 -1.14 -3.02 120.51 116.12 2hd3 n ALA 20 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.53 2hd3 n ALA 20 Cb 0.46 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.01 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 13.64 0.21 -0.91 0.00 -0.00 -1.26 -4.99 115.22 121.91 2hd3 n HIS 21 Ca 0.00 -0.25 -0.33 0.00 -0.00 0.00 0.00 57.72 57.14 2hd3 n HIS 21 Cb 0.00 -0.01 0.14 0.00 -0.00 0.00 0.00 29.99 30.11 2hd3 n HIS 21 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2hd3 n ASP 22 N 0.50 -0.03 -4.82 0.41 10.43 -1.17 -4.99 116.55 116.88 2hd3 n ASP 22 Ca 0.08 0.48 -0.35 0.00 2.57 0.00 0.00 54.79 57.57 2hd3 n ASP 22 Cb 0.33 -1.41 -0.06 0.00 1.84 0.00 0.00 41.12 41.82 2hd3 n ASP 22 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2hd3 s LYS 23 N -4.07 4.19 -0.43 -1.24 -0.14 -0.84 -4.90 119.74 112.31 2hd3 s LYS 23 Ca 0.67 0.81 -0.06 0.00 -1.36 0.00 0.00 55.97 56.03 2hd3 s LYS 23 Cb -0.26 -2.78 0.10 0.00 -1.68 0.00 0.00 37.83 33.22 2hd3 s LYS 23 CO 0.57 0.34 0.25 -0.51 -0.76 0.00 0.00 175.35 175.24 2hd3 s LEU 24 N -2.21 5.31 0.00 3.17 1.43 -1.26 -1.67 118.68 123.45 2hd3 s LEU 24 Ca 0.45 -1.85 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 2hd3 s LEU 24 Cb -0.15 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2hd3 s LEU 24 CO 0.20 -0.58 0.00 0.00 0.23 0.00 0.00 176.35 176.20 2hd3 n LEU 25 N 4.76 0.00 -3.64 1.79 -0.00 -0.59 0.44 117.00 119.76 2hd3 n LEU 25 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.93 2hd3 n LEU 25 Cb 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.80 2hd3 n LEU 25 CO 0.37 0.00 1.17 0.68 -0.00 0.00 0.00 177.39 179.61 2hd3 s VAL 27 N 4.53 0.00 0.15 1.47 -7.23 0.76 -1.04 120.40 119.04 2hd3 s VAL 27 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 2hd3 s VAL 27 Cb 0.00 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.94 2hd3 s VAL 27 CO 0.00 0.00 0.03 1.21 -0.31 0.00 0.00 175.10 176.03 2hd3 n GLU 28 N 0.44 1.19 -3.67 4.82 2.13 0.87 -2.06 120.64 124.37 2hd3 n GLU 28 Ca 0.01 -1.15 -0.08 0.00 0.66 0.00 0.00 57.16 56.59 2hd3 n GLU 28 Cb 0.59 0.47 -0.09 0.00 0.27 0.00 0.00 31.44 32.68 2hd3 n GLU 28 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2hd3 s ILE 30 N -1.83 -0.44 0.97 6.31 -1.09 -1.05 -0.38 121.20 123.69 2hd3 s ILE 30 Ca 0.04 0.11 -0.12 0.00 -2.23 0.00 0.00 60.65 58.45 2hd3 s ILE 30 Cb 0.00 -0.72 0.18 0.00 -1.58 0.00 0.00 42.46 40.33 2hd3 s ILE 30 CO 0.03 0.05 1.08 1.51 -1.23 0.00 0.00 174.94 176.37 2hd3 s ASP 31 N 2.20 2.72 0.00 3.58 3.84 0.49 -4.71 116.67 124.78 2hd3 s ASP 31 Ca -0.05 1.49 0.10 0.00 -0.00 0.00 0.00 52.55 54.09 2hd3 s ASP 31 Cb -0.10 -2.16 0.60 0.00 -1.38 0.00 0.00 42.92 39.87 2hd3 s ASP 31 CO -0.14 -3.11 1.05 -0.81 -0.00 0.00 0.00 175.17 172.15 2hd3 n PRO 32 N -4.19 0.31 0.00 2.11 -0.04 -1.26 -1.32 135.00 130.61 2hd3 n PRO 32 Ca 0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2hd3 n PRO 32 Cb 0.55 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.56 2hd3 n PRO 32 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2hd3 n GLN 33 N -1.00 1.80 -0.45 0.54 7.27 -1.26 -4.96 117.38 119.31 2hd3 n GLN 33 Ca 0.08 -1.48 0.00 0.00 0.07 0.00 0.00 57.00 55.66 2hd3 n GLN 33 Cb 0.04 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.25 2hd3 n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2hd3 n GLY 34 N 1.31 0.77 3.50 1.69 0.00 -0.44 -5.07 105.19 106.96 2hd3 n GLY 34 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.03 4.13 0.08 1.61 0.01 -1.26 -4.89 114.94 112.59 2hd3 s ASN 35 Ca 0.00 -0.21 -0.30 0.00 -0.71 0.00 0.00 52.86 51.63 2hd3 s ASN 35 Cb 0.00 -0.87 -0.06 0.00 0.41 0.00 0.00 41.25 40.73 2hd3 s ASN 35 CO 0.00 0.32 1.19 -2.16 -1.51 0.00 0.00 177.10 174.94 2hd3 s PRO 36 N -0.96 4.45 0.00 -0.60 0.04 -1.26 -0.38 135.00 136.29 2hd3 s PRO 36 Ca 0.13 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2hd3 s PRO 36 Cb -0.11 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2hd3 s PRO 36 CO 0.02 -0.22 0.00 -3.47 0.04 0.00 0.00 177.00 173.38 2hd3 n ASP 37 N 3.68 0.00 -0.87 6.66 4.64 -1.26 -4.90 116.55 124.50 2hd3 n ASP 37 Ca 0.08 0.00 0.09 0.00 -1.38 0.00 0.00 54.79 53.58 2hd3 n ASP 37 Cb 0.46 0.00 0.15 0.00 -1.04 0.00 0.00 41.12 40.69 2hd3 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2hd3 n GLY 38 N 5.00 1.30 3.64 0.27 0.00 -1.26 -4.94 105.19 109.20 2hd3 n GLY 38 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.32 3.98 0.27 1.61 -1.52 -1.26 -5.00 119.66 116.41 2hd3 s GLN 39 Ca 0.28 1.64 0.10 0.00 -1.95 0.00 0.00 55.36 55.43 2hd3 s GLN 39 Cb 0.17 -3.93 -0.05 0.00 -0.22 0.00 0.00 33.01 28.98 2hd3 s GLN 39 CO 0.24 -1.05 -0.16 0.00 -0.25 0.00 0.00 175.29 174.08 2hd3 s ALA 41 N -2.70 -1.57 -0.13 0.00 0.00 -0.87 -5.00 121.76 111.47 2hd3 s ALA 41 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2hd3 s ALA 41 Cb -0.02 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 2hd3 s ALA 41 CO 0.13 -1.05 -0.14 0.08 0.00 0.00 0.00 175.76 174.78 2hd3 s VAL 42 N -3.15 2.95 0.09 0.00 1.01 -1.26 -0.17 120.40 119.86 2hd3 s VAL 42 Ca 0.14 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2hd3 s VAL 42 Cb -0.02 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2hd3 s VAL 42 CO 0.03 0.52 -0.20 0.00 0.00 0.00 0.00 175.10 175.46 2hd3 s ALA 43 N 0.43 1.73 0.19 5.51 0.00 -0.21 -4.76 121.76 124.66 2hd3 s ALA 43 Ca -0.10 -1.18 -0.18 0.00 0.00 0.00 0.00 51.96 50.50 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 0.05 0.35 0.66 -1.50 0.00 0.00 0.00 175.76 175.32 2hd3 s ILE 44 N -1.09 4.67 -0.08 0.00 1.10 -0.24 -1.54 121.20 124.02 2hd3 s ILE 44 Ca 0.06 1.12 -0.04 0.00 -0.51 0.00 0.00 60.65 61.28 2hd3 s ILE 44 Cb -0.10 -3.82 0.04 0.00 0.15 0.00 0.00 42.46 38.74 2hd3 s ILE 44 CO 0.04 0.24 0.19 -0.62 -2.11 0.00 0.00 174.94 172.67 2hd3 s ASP 45 N -1.65 -0.10 0.00 4.50 2.15 -0.67 -2.14 116.67 118.77 2hd3 s ASP 45 Ca 0.41 0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.78 2hd3 s ASP 45 Cb -0.16 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2hd3 s ASP 45 CO 0.20 -0.16 0.30 -0.46 -0.17 0.00 0.00 175.17 174.88 2hd3 n ASN 46 N 4.33 0.60 0.16 -0.34 2.04 -1.26 -1.99 115.26 118.80 2hd3 n ASN 46 Ca -0.24 -0.84 0.05 0.00 -0.44 0.00 0.00 54.58 53.11 2hd3 n ASN 46 Cb 0.52 0.22 0.07 0.00 -2.53 0.00 0.00 39.78 38.06 2hd3 n ASN 46 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 2hd3 h ILE 47 N 0.13 0.60 -2.01 1.53 2.04 -1.93 -3.49 117.51 114.38 2hd3 h ILE 47 Ca 0.00 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.00 2hd3 h ILE 47 Cb 0.07 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2hd3 h ILE 47 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.10 2hd3 n GLY 48 N 1.19 -0.45 3.37 5.37 0.00 -1.26 -5.08 105.19 108.32 2hd3 n GLY 48 Ca 0.03 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.59 2.38 0.37 4.61 0.00 -1.26 -5.07 121.76 122.21 2hd3 s ALA 49 Ca 0.00 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.01 2hd3 s ALA 49 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2hd3 s ALA 49 CO 0.00 0.49 0.29 0.20 0.00 0.00 0.00 175.76 176.74 2hd3 s GLY 50 N -0.46 1.94 0.36 0.00 0.00 -1.26 -5.06 107.32 102.84 2hd3 s GLY 50 Ca 0.05 -1.77 -0.28 0.00 0.00 0.00 0.00 44.72 42.72 2hd3 s GLY 50 CO 0.01 -1.66 1.39 -0.51 0.00 0.00 0.00 173.10 172.33 2hd3 s THR 51 N -2.39 2.40 0.00 0.90 -4.23 -1.26 -2.47 115.64 108.59 2hd3 s THR 51 Ca 0.43 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 2hd3 s THR 51 Cb -0.04 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2hd3 s THR 51 CO 0.26 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 2hd3 n GLY 52 N 0.63 3.41 3.85 3.99 0.00 0.94 -4.99 105.19 113.03 2hd3 n GLY 52 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.82 2.75 -0.10 1.61 2.02 -1.03 -4.74 118.70 118.38 2hd3 s GLU 53 Ca 0.00 0.59 -0.03 0.00 0.02 0.00 0.00 54.97 55.55 2hd3 s GLU 53 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 2hd3 s GLU 53 CO 0.00 -1.14 0.04 -1.58 0.02 0.00 0.00 175.26 172.60 2hd3 s TRP 54 N -3.25 3.29 0.09 1.61 0.52 -1.26 -1.00 118.94 118.94 2hd3 s TRP 54 Ca 0.58 0.29 0.02 0.00 0.02 0.00 0.00 56.10 57.01 2hd3 s TRP 54 Cb -0.12 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 2hd3 s TRP 54 CO 0.53 0.54 -0.07 0.14 0.02 0.00 0.00 176.95 178.11 2hd3 s VAL 55 N -0.91 0.71 -0.16 4.03 -7.23 0.13 -0.57 120.40 116.39 2hd3 s VAL 55 Ca 0.14 -1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 58.33 2hd3 s VAL 55 Cb -0.12 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 2hd3 s VAL 55 CO 0.03 -0.81 0.24 -0.22 -0.31 0.00 0.00 175.10 174.03 2hd3 s LEU 56 N -2.89 4.26 0.18 1.32 2.96 -0.63 -0.90 118.68 122.97 2hd3 s LEU 56 Ca 0.10 0.45 0.09 0.00 -0.22 0.00 0.00 54.13 54.55 2hd3 s LEU 56 Cb 0.03 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2hd3 s LEU 56 CO -0.04 0.16 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.25 2hd3 s LEU 57 N 0.24 2.83 -0.07 -0.68 1.43 0.55 -1.25 118.68 121.74 2hd3 s LEU 57 Ca 0.14 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2hd3 s LEU 57 Cb -0.13 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.58 2hd3 s LEU 57 CO 0.03 0.11 -0.06 -0.69 0.23 0.00 0.00 176.35 175.97 2hd3 s VAL 58 N -1.66 0.77 0.46 -1.59 1.01 -0.45 -2.05 120.40 116.89 2hd3 s VAL 58 Ca 0.23 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.07 2hd3 s VAL 58 Cb -0.09 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 2hd3 s VAL 58 CO 0.14 0.30 0.29 -0.94 0.00 0.00 0.00 175.10 174.88 2hd3 s SER 59 N 1.19 4.62 0.21 3.32 1.04 -1.26 -0.97 113.70 121.86 2hd3 s SER 59 Ca -0.06 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2hd3 s SER 59 Cb -0.14 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2hd3 s SER 59 CO -0.02 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2hd3 n GLY 60 N -1.49 -1.00 0.30 7.32 0.00 -0.55 -3.94 105.19 105.83 2hd3 n GLY 60 Ca -0.01 -1.21 0.18 0.00 0.00 0.00 0.00 46.02 44.97 2hd3 n GLY 60 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hd3 h SER 61 N 0.00 0.00 0.21 1.61 4.64 -1.89 -2.48 113.55 115.64 2hd3 h SER 61 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2hd3 h SER 61 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2hd3 h SER 61 CO 0.00 0.04 -0.27 0.28 -0.87 0.00 0.00 176.83 176.00 2hd3 h SER 62 N 0.00 0.11 -0.78 4.97 0.02 -1.94 -2.66 113.55 113.27 2hd3 h SER 62 Ca -0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2hd3 h SER 62 Cb 0.20 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 2hd3 h SER 62 CO 0.00 0.38 0.45 0.00 -1.14 0.00 0.00 176.83 176.53 2hd3 h ALA 63 N 1.63 1.32 0.07 3.77 0.00 -1.59 -2.39 119.26 122.06 2hd3 h ALA 63 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2hd3 h ALA 63 Cb 0.54 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2hd3 h ALA 63 CO 0.04 0.57 -0.45 0.00 0.00 0.00 0.00 179.25 179.41 2hd3 h ARG 64 N 1.09 -0.60 0.00 0.00 3.08 -1.59 0.51 114.38 116.87 2hd3 h ARG 64 Ca 0.28 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.33 2hd3 h ARG 64 Cb -0.01 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2hd3 h ARG 64 CO -0.05 -0.40 -0.21 0.37 -1.07 0.00 0.00 179.97 178.61 2hd3 h GLN 65 N -0.62 0.00 0.00 0.04 5.75 -1.65 -1.75 115.11 116.88 2hd3 h GLN 65 Ca -0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 2hd3 h GLN 65 Cb 0.64 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 2hd3 h GLN 65 CO -0.26 0.21 -0.31 0.00 -2.65 0.00 0.00 178.83 175.81 2hd3 h ALA 66 N 1.79 1.20 0.16 3.38 0.00 -0.78 -3.16 119.26 121.84 2hd3 h ALA 66 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2hd3 h ALA 66 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2hd3 h ALA 66 CO 0.03 0.39 -0.08 1.25 0.00 0.00 0.00 179.25 180.84 2hd3 h HIS 67 N 0.00 -0.20 0.00 0.00 -0.00 -0.04 -3.49 115.15 111.42 2hd3 h HIS 67 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2hd3 h HIS 67 Cb 0.68 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 2hd3 h HIS 67 CO 0.00 0.13 0.00 1.63 -0.00 0.00 0.00 177.93 179.69 2hd3 n LYS 68 N -4.90 0.00 -4.15 5.26 5.02 -0.99 -4.98 118.16 113.42 2hd3 n LYS 68 Ca -0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 2hd3 n LYS 68 Cb 0.21 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.12 2hd3 n LYS 68 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2hd3 s SER 69 N -2.00 0.98 0.09 4.39 0.15 -1.22 -4.84 113.70 111.25 2hd3 s SER 69 Ca 0.00 -1.00 0.12 0.00 0.70 0.00 0.00 55.95 55.76 2hd3 s SER 69 Cb 0.00 0.12 0.54 0.00 -1.71 0.00 0.00 66.02 64.97 2hd3 s SER 69 CO 0.00 -0.50 1.36 -0.62 1.20 0.00 0.00 173.24 174.69 2hd3 n GLU 70 N -0.00 0.05 0.00 5.44 -0.58 -1.26 -1.35 120.64 122.93 2hd3 n GLU 70 Ca -0.13 0.43 0.12 0.00 -0.42 0.00 0.00 57.16 57.16 2hd3 n GLU 70 Cb 0.61 -1.63 0.18 0.00 -0.57 0.00 0.00 31.44 30.03 2hd3 n GLU 70 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2hd3 n THR 71 N -1.73 0.00 -2.03 2.62 -2.24 -1.26 -4.90 114.28 104.74 2hd3 n THR 71 Ca 0.01 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 2hd3 n THR 71 Cb 0.10 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 2hd3 n THR 71 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2hd3 s SER 72 N -2.54 6.69 -1.50 3.42 1.04 -0.46 -4.92 113.70 115.43 2hd3 s SER 72 Ca 0.20 2.45 -0.12 0.00 0.48 0.00 0.00 55.95 58.96 2hd3 s SER 72 Cb 0.18 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.73 2hd3 s SER 72 CO 0.57 -0.78 2.44 -0.81 0.98 0.00 0.00 173.24 175.64 2hd3 n PRO 73 N 4.54 3.19 -3.95 4.02 -0.04 -1.26 -4.75 135.00 136.75 2hd3 n PRO 73 Ca 0.14 -2.54 -0.10 0.00 -0.04 0.00 0.00 63.50 60.96 2hd3 n PRO 73 Cb 0.41 -3.11 -0.11 0.00 -0.04 0.00 0.00 33.50 30.65 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 2.64 0.09 -0.01 0.52 -7.23 -1.26 -4.97 120.40 110.18 2hd3 s VAL 74 Ca 0.54 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.94 2hd3 s VAL 74 Cb 0.15 -0.26 0.03 0.00 0.56 0.00 0.00 36.38 36.86 2hd3 s VAL 74 CO -0.08 -0.43 0.83 -0.90 -0.31 0.00 0.00 175.10 174.21 2hd3 n ASP 75 N 1.74 1.11 -3.41 4.85 5.68 -1.26 -3.93 116.55 121.33 2hd3 n ASP 75 Ca -0.23 -1.73 -0.06 0.00 -0.50 0.00 0.00 54.79 52.28 2hd3 n ASP 75 Cb 0.56 -0.06 -0.07 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.72 -0.82 -0.02 -2.12 0.20 -1.26 -1.48 118.68 112.47 2hd3 s LEU 76 Ca 0.03 0.65 0.01 0.00 0.69 0.00 0.00 54.13 55.51 2hd3 s LEU 76 Cb 0.03 1.46 0.01 0.00 -0.43 0.00 0.00 46.19 47.26 2hd3 s LEU 76 CO 0.00 -0.27 -0.02 0.00 -0.29 0.00 0.00 176.35 175.77 2hd3 s VAL 78 N 0.44 4.58 -0.45 0.00 0.11 -0.91 -1.34 120.40 122.82 2hd3 s VAL 78 Ca -0.04 2.04 0.05 0.00 -2.93 0.00 0.00 61.98 61.10 2hd3 s VAL 78 Cb -0.07 -4.31 0.14 0.00 -1.53 0.00 0.00 36.38 30.61 2hd3 s VAL 78 CO -0.01 0.29 1.10 2.30 -3.33 0.00 0.00 175.10 175.46 2hd3 n ILE 79 N 2.98 0.95 0.00 7.04 -5.35 -0.38 -4.83 119.36 119.77 2hd3 n ILE 79 Ca 0.03 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.53 2hd3 n ILE 79 Cb 0.50 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 2hd3 n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hd3 n GLY 80 N -0.00 1.48 3.78 3.28 0.00 -1.25 -4.96 105.19 107.50 2hd3 n GLY 80 Ca 0.05 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2hd3 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hd3 s ILE 81 N -1.76 5.28 -0.19 -0.61 -1.09 -1.26 -1.61 121.20 119.96 2hd3 s ILE 81 Ca 0.00 0.55 -0.26 0.00 -2.23 0.00 0.00 60.65 58.71 2hd3 s ILE 81 Cb 0.00 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.26 2hd3 s ILE 81 CO 0.00 0.47 0.88 -0.69 -1.23 0.00 0.00 174.94 174.37 2hd3 s VAL 82 N -0.10 4.83 -0.06 2.92 1.01 0.26 -4.92 120.40 124.34 2hd3 s VAL 82 Ca 0.18 1.72 0.04 0.00 0.00 0.00 0.00 61.98 63.91 2hd3 s VAL 82 Cb -0.14 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 31.82 2hd3 s VAL 82 CO 0.06 -0.03 0.61 0.44 0.00 0.00 0.00 175.10 176.17 2hd3 h ASP 83 N 7.42 0.20 -4.19 3.32 3.45 -1.94 -3.43 116.42 121.26 2hd3 h ASP 83 Ca -0.26 -0.40 0.17 0.00 0.43 0.00 0.00 57.03 56.96 2hd3 h ASP 83 Cb 1.11 -0.06 -0.20 0.00 -0.56 0.00 0.00 39.33 39.62 2hd3 h ASP 83 CO 0.87 1.36 0.67 -1.83 -1.57 0.00 0.00 179.24 178.74 2hd3 s GLU 84 N -2.59 0.50 -0.07 3.56 -1.05 -1.26 -0.86 118.70 116.92 2hd3 s GLU 84 Ca -0.11 -0.08 -0.01 0.00 -0.15 0.00 0.00 54.97 54.62 2hd3 s GLU 84 Cb 0.07 0.23 0.03 0.00 -0.44 0.00 0.00 34.13 34.02 2hd3 s GLU 84 CO 0.81 -0.20 -0.01 0.08 0.95 0.00 0.00 175.26 176.90 2hd3 s VAL 85 N -2.08 0.42 -0.10 1.83 1.01 -0.46 -4.96 120.40 116.06 2hd3 s VAL 85 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2hd3 s VAL 85 Cb -0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2hd3 s VAL 85 CO -0.04 0.26 -0.11 -0.69 0.00 0.00 0.00 175.10 174.52 2hd3 s VAL 86 N 1.83 3.32 0.00 2.92 1.01 -1.26 0.14 120.40 128.35 2hd3 s VAL 86 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2hd3 s VAL 86 Cb -0.12 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2hd3 s VAL 86 CO -0.05 0.55 0.00 -0.24 0.00 0.00 0.00 175.10 175.36 2hd3 n SER 87 N 2.97 0.00 -3.39 3.32 2.88 0.46 -4.85 113.62 115.01 2hd3 n SER 87 Ca -0.18 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 56.99 2hd3 n SER 87 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2hd3 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hd3 n GLY 88 N 5.00 4.05 2.08 0.46 0.00 -1.26 -4.18 105.19 111.33 2hd3 n GLY 88 Ca 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 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 3.76 0.57 2.94 -0.02 0.00 -1.26 -5.03 105.19 106.14 2hd3 n GLY 89 Ca 0.67 -0.93 -0.22 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 -2.14 1.12 -0.19 1.61 -1.52 -1.26 -5.09 119.66 112.18 2hd3 s GLN 90 Ca 0.00 -0.21 -0.29 0.00 -1.95 0.00 0.00 55.36 52.91 2hd3 s GLN 90 Cb 0.00 -1.03 -0.03 0.00 -0.22 0.00 0.00 33.01 31.73 2hd3 s GLN 90 CO 0.00 -0.05 1.57 0.08 -0.25 0.00 0.00 175.29 176.65 2hd3 s VAL 91 N 0.84 3.75 -0.18 1.09 1.01 -1.26 -0.41 120.40 125.25 2hd3 s VAL 91 Ca -0.12 0.86 0.22 0.00 0.00 0.00 0.00 61.98 62.95 2hd3 s VAL 91 Cb -0.15 -3.71 -0.16 0.00 0.00 0.00 0.00 36.38 32.36 2hd3 s VAL 91 CO 0.01 -0.25 0.79 -0.38 0.00 0.00 0.00 175.10 175.27 2hd3 n ILE 92 N 6.14 0.30 -3.63 2.22 2.08 0.36 -4.96 119.36 121.89 2hd3 n ILE 92 Ca 0.18 -0.50 -0.14 0.00 0.56 0.00 0.00 62.75 62.85 2hd3 n ILE 92 Cb 0.45 -0.13 -0.07 0.00 -0.75 0.00 0.00 39.64 39.13 2hd3 n ILE 92 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 2hd3 s PHE 93 N -3.42 -0.76 -0.05 1.39 2.19 -1.07 -4.94 117.98 111.33 2hd3 s PHE 93 Ca -0.03 1.80 -0.05 0.00 0.33 0.00 0.00 56.93 58.98 2hd3 s PHE 93 Cb 0.12 0.28 0.01 0.00 -1.31 0.00 0.00 43.02 42.12 2hd3 s PHE 93 CO 0.85 -0.39 0.14 -1.58 1.83 0.00 0.00 175.22 176.06 2hd3 s HIS 94 N 0.22 -0.16 -0.20 10.12 2.46 -1.26 -1.35 115.29 125.12 2hd3 s HIS 94 Ca -0.01 0.38 -0.35 0.00 0.47 0.00 0.00 55.06 55.55 2hd3 s HIS 94 Cb -0.04 0.05 -0.16 0.00 -0.13 0.00 0.00 32.58 32.29 2hd3 s HIS 94 CO 0.02 -0.08 1.07 1.63 -2.47 0.00 0.00 174.74 174.91 2hd3 n LYS 95 N 3.04 0.00 0.00 2.88 4.76 -0.04 -4.98 118.16 123.82 2hd3 n LYS 95 Ca -0.13 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.45 2hd3 n LYS 95 Cb 0.59 -1.20 0.80 0.00 -1.84 0.00 0.00 35.03 33.37 2hd3 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31