#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 3.34 0.07 -5.58 1.43 -1.26 -1.04 118.68 115.64 2hd3 s LEU 3 Ca 0.00 1.53 -0.27 0.00 -1.03 0.00 0.00 54.13 54.36 2hd3 s LEU 3 Cb 0.00 -4.49 0.08 0.00 0.03 0.00 0.00 46.19 41.81 2hd3 s LEU 3 CO 0.00 -0.92 0.93 0.00 0.23 0.00 0.00 176.35 176.60 2hd3 s ALA 4 N -2.95 -1.76 0.14 4.21 0.00 -0.74 -2.58 121.76 118.09 2hd3 s ALA 4 Ca 0.57 0.58 0.08 0.00 0.00 0.00 0.00 51.96 53.19 2hd3 s ALA 4 Cb -0.12 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 2hd3 s ALA 4 CO 0.47 -0.87 -0.10 0.08 0.00 0.00 0.00 175.76 175.34 2hd3 s VAL 5 N -3.18 3.27 -0.37 0.00 1.01 0.20 -1.35 120.40 119.98 2hd3 s VAL 5 Ca 0.09 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.44 2hd3 s VAL 5 Cb -0.01 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2hd3 s VAL 5 CO -0.04 0.02 0.53 -0.69 0.00 0.00 0.00 175.10 174.92 2hd3 s VAL 6 N -1.41 4.99 -1.39 2.92 1.01 -0.87 -0.82 120.40 124.84 2hd3 s VAL 6 Ca 0.23 0.26 0.20 0.00 0.00 0.00 0.00 61.98 62.67 2hd3 s VAL 6 Cb -0.10 -4.00 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 2hd3 s VAL 6 CO 0.14 -0.28 0.93 0.35 0.00 0.00 0.00 175.10 176.24 2hd3 n THR 7 N 5.49 0.00 -3.34 3.92 -2.24 -1.26 -0.16 114.28 116.69 2hd3 n THR 7 Ca -0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2hd3 n THR 7 Cb 0.49 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 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 1.42 -0.53 3.50 3.38 0.00 -1.26 -4.98 105.19 106.72 2hd3 n GLY 8 Ca 0.06 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 2hd3 n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hd3 s GLN 9 N -1.13 1.50 -0.02 1.61 0.00 -1.26 -4.58 119.66 115.79 2hd3 s GLN 9 Ca 0.00 -1.36 0.05 0.00 -0.00 0.00 0.00 55.36 54.05 2hd3 s GLN 9 Cb 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 33.01 33.43 2hd3 s GLN 9 CO 0.00 -0.60 -0.16 0.42 0.00 0.00 0.00 175.29 174.94 2hd3 s ILE 10 N -3.98 1.31 -0.15 3.63 1.01 0.10 -4.98 121.20 118.14 2hd3 s ILE 10 Ca 0.26 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2hd3 s ILE 10 Cb 0.01 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 2hd3 s ILE 10 CO 0.10 0.37 -0.11 -0.69 0.00 0.00 0.00 174.94 174.61 2hd3 s VAL 11 N -0.34 3.11 -0.37 2.92 1.01 -1.26 -4.13 120.40 121.33 2hd3 s VAL 11 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2hd3 s VAL 11 Cb -0.07 -2.33 0.12 0.00 0.00 0.00 0.00 36.38 34.10 2hd3 s VAL 11 CO -0.00 0.50 0.18 0.00 0.00 0.00 0.00 175.10 175.78 2hd3 h THR 13 N 5.72 1.26 -3.59 0.00 1.35 -2.04 -3.35 112.91 112.25 2hd3 h THR 13 Ca -0.05 -0.60 -0.70 0.00 -0.55 0.00 0.00 66.41 64.50 2hd3 h THR 13 Cb 0.97 -0.02 -0.22 0.00 -1.73 0.00 0.00 68.15 67.15 2hd3 h THR 13 CO 0.43 0.28 -0.49 -0.69 -0.25 0.00 0.00 175.52 174.81 2hd3 s VAL 14 N -5.90 4.89 0.14 6.82 1.01 -1.26 -5.05 120.40 121.05 2hd3 s VAL 14 Ca -0.13 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 2hd3 s VAL 14 Cb 0.17 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2hd3 s VAL 14 CO 0.83 -0.18 0.31 0.00 0.00 0.00 0.00 175.10 176.06 2hd3 s ARG 15 N 1.63 1.07 0.44 2.72 1.70 -1.26 -5.13 118.95 120.11 2hd3 s ARG 15 Ca 0.04 -0.98 -0.24 0.00 -0.47 0.00 0.00 55.73 54.09 2hd3 s ARG 15 Cb -0.18 0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 34.50 2hd3 s ARG 15 CO 0.08 -0.39 1.02 1.58 -1.08 0.00 0.00 175.30 176.51 2hd3 n HIS 16 N -0.18 1.20 0.03 5.89 -0.00 -1.26 -4.89 115.22 116.01 2hd3 n HIS 16 Ca -0.12 0.54 -0.05 0.00 -0.00 0.00 0.00 57.72 58.09 2hd3 n HIS 16 Cb 0.63 -2.23 0.16 0.00 -0.00 0.00 0.00 29.99 28.55 2hd3 n HIS 16 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2hd3 h HIS 17 N 1.48 0.52 0.00 1.57 2.07 -2.00 -2.99 115.15 115.80 2hd3 h HIS 17 Ca -0.45 -0.14 0.00 0.00 -2.85 0.00 0.00 60.37 56.93 2hd3 h HIS 17 Cb 1.34 -0.12 0.00 0.00 2.57 0.00 0.00 27.41 31.20 2hd3 h HIS 17 CO 0.43 0.76 0.01 0.41 -3.07 0.00 0.00 177.93 176.48 2hd3 n GLY 18 N -0.13 -0.30 0.03 6.13 0.00 -1.26 -0.65 105.19 109.00 2hd3 n GLY 18 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2hd3 n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hd3 n LEU 19 N -1.30 0.63 0.00 0.99 4.77 -1.13 -4.57 117.00 116.39 2hd3 n LEU 19 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2hd3 n LEU 19 Cb 0.01 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2hd3 n LEU 19 CO 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 177.39 176.10 2hd3 n ALA 20 N -1.76 0.00 -0.88 -1.18 0.00 0.17 -2.58 120.51 114.29 2hd3 n ALA 20 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.55 2hd3 n ALA 20 Cb 0.42 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.04 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 0.38 -1.87 0.00 -0.00 -1.26 -4.98 115.22 121.49 2hd3 n HIS 21 Ca 0.00 -0.87 -0.37 0.00 -0.00 0.00 0.00 57.72 56.48 2hd3 n HIS 21 Cb 0.00 -0.19 0.05 0.00 -0.00 0.00 0.00 29.99 29.85 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 -2.22 4.92 0.53 0.41 -0.00 -1.07 -4.98 116.67 114.25 2hd3 s ASP 22 Ca 0.32 2.53 -0.18 0.00 -0.00 0.00 0.00 52.55 55.22 2hd3 s ASP 22 Cb 0.26 -2.61 -0.07 0.00 -0.00 0.00 0.00 42.92 40.51 2hd3 s ASP 22 CO 0.06 -1.79 1.04 -0.54 -0.00 0.00 0.00 175.17 173.94 2hd3 s LYS 23 N -3.31 3.65 -0.29 8.23 -0.14 -0.74 -4.85 119.74 122.30 2hd3 s LYS 23 Ca 0.79 1.26 -0.03 0.00 -1.36 0.00 0.00 55.97 56.63 2hd3 s LYS 23 Cb -0.35 -2.08 0.04 0.00 -1.68 0.00 0.00 37.83 33.76 2hd3 s LYS 23 CO 0.37 -0.54 -0.00 -0.51 -0.76 0.00 0.00 175.35 173.91 2hd3 s LEU 24 N -3.90 3.70 0.00 3.17 1.43 -1.26 -0.57 118.68 121.24 2hd3 s LEU 24 Ca 0.65 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2hd3 s LEU 24 Cb -0.15 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2hd3 s LEU 24 CO 0.27 -0.21 0.00 0.18 0.23 0.00 0.00 176.35 176.82 2hd3 n LEU 25 N 4.68 0.00 0.00 1.79 4.32 0.88 0.01 117.00 128.69 2hd3 n LEU 25 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 2hd3 n LEU 25 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 2hd3 n LEU 25 CO 0.28 0.00 0.00 1.33 -1.22 0.00 0.00 177.39 177.78 2hd3 n VAL 27 N 0.00 0.00 -4.00 4.08 0.24 0.11 0.03 118.33 118.79 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 -0.62 1.85 -3.67 7.34 2.13 0.00 -0.79 120.64 126.89 2hd3 n GLU 28 Ca 0.00 -0.02 -0.08 0.00 0.66 0.00 0.00 57.16 57.72 2hd3 n GLU 28 Cb 0.00 0.01 -0.09 0.00 0.27 0.00 0.00 31.44 31.63 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 -1.08 -0.39 0.75 6.31 1.01 -1.06 -0.63 121.20 126.12 2hd3 s ILE 30 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 2hd3 s ILE 30 Cb 0.00 -0.73 0.04 0.00 0.01 0.00 0.00 42.46 41.78 2hd3 s ILE 30 CO 0.00 0.04 1.10 1.51 0.00 0.00 0.00 174.94 177.59 2hd3 s ASP 31 N 2.09 4.94 0.37 3.58 3.84 0.42 -4.73 116.67 127.17 2hd3 s ASP 31 Ca -0.06 1.23 0.18 0.00 -0.00 0.00 0.00 52.55 53.90 2hd3 s ASP 31 Cb -0.10 -1.99 0.98 0.00 -1.38 0.00 0.00 42.92 40.43 2hd3 s ASP 31 CO -0.14 -1.68 1.49 1.55 -0.00 0.00 0.00 175.17 176.39 2hd3 h PRO 32 N -0.89 0.00 -0.11 2.11 0.13 -2.03 0.88 132.00 132.10 2hd3 h PRO 32 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2hd3 h PRO 32 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2hd3 h PRO 32 CO 0.61 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.42 2hd3 n GLN 33 N -2.23 1.43 -1.04 0.86 6.02 -1.26 -4.87 117.38 116.29 2hd3 n GLN 33 Ca -0.01 -0.64 -0.01 0.00 -0.01 0.00 0.00 57.00 56.32 2hd3 n GLN 33 Cb 0.24 -1.32 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 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 0.96 0.50 3.65 1.08 0.00 0.30 -5.02 105.19 106.66 2hd3 n GLY 34 Ca 0.14 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.32 5.10 0.03 1.61 0.01 -1.23 -4.90 114.94 113.25 2hd3 s ASN 35 Ca 0.00 0.09 -0.30 0.00 -0.71 0.00 0.00 52.86 51.94 2hd3 s ASN 35 Cb 0.00 -1.45 -0.06 0.00 0.41 0.00 0.00 41.25 40.15 2hd3 s ASN 35 CO 0.00 0.36 1.33 -2.16 -1.51 0.00 0.00 177.10 175.11 2hd3 s PRO 36 N -0.75 4.33 0.00 -0.60 0.04 -1.26 -0.44 135.00 136.32 2hd3 s PRO 36 Ca 0.12 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2hd3 s PRO 36 Cb -0.11 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2hd3 s PRO 36 CO 0.02 -0.46 0.00 -0.25 0.04 0.00 0.00 177.00 176.36 2hd3 n ASP 37 N 4.71 -0.03 -0.37 6.66 10.43 -1.26 -4.89 116.55 131.81 2hd3 n ASP 37 Ca 0.11 -0.04 0.09 0.00 2.57 0.00 0.00 54.79 57.52 2hd3 n ASP 37 Cb 0.44 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.39 2hd3 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2hd3 n GLY 38 N 3.63 -0.07 3.64 0.44 0.00 -1.26 -4.92 105.19 106.65 2hd3 n GLY 38 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.07 3.90 0.11 1.61 -1.52 -1.26 -4.99 119.66 115.44 2hd3 s GLN 39 Ca 0.14 1.86 0.07 0.00 -1.95 0.00 0.00 55.36 55.48 2hd3 s GLN 39 Cb 0.14 -4.03 -0.04 0.00 -0.22 0.00 0.00 33.01 28.87 2hd3 s GLN 39 CO 0.46 -1.17 -0.18 0.00 -0.25 0.00 0.00 175.29 174.15 2hd3 s ALA 41 N -1.52 -0.40 -0.11 0.00 0.00 0.03 -5.00 121.76 114.77 2hd3 s ALA 41 Ca 0.07 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2hd3 s ALA 41 Cb -0.08 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 2hd3 s ALA 41 CO 0.04 -0.94 -0.16 0.08 0.00 0.00 0.00 175.76 174.78 2hd3 s VAL 42 N -2.64 2.78 0.13 0.00 1.01 -1.26 -0.71 120.40 119.71 2hd3 s VAL 42 Ca 0.19 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.48 2hd3 s VAL 42 Cb -0.04 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2hd3 s VAL 42 CO 0.13 0.54 -0.20 0.00 0.00 0.00 0.00 175.10 175.58 2hd3 s ALA 43 N 0.14 1.88 0.05 5.51 0.00 0.10 -4.75 121.76 124.70 2hd3 s ALA 43 Ca -0.08 -1.35 -0.22 0.00 0.00 0.00 0.00 51.96 50.30 2hd3 s ALA 43 Cb -0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 2hd3 s ALA 43 CO 0.05 0.30 0.67 -1.50 0.00 0.00 0.00 175.76 175.28 2hd3 s ILE 44 N -1.58 4.73 -0.06 0.00 2.07 -0.66 -0.08 121.20 125.63 2hd3 s ILE 44 Ca 0.10 1.43 0.01 0.00 -1.41 0.00 0.00 60.65 60.79 2hd3 s ILE 44 Cb -0.08 -4.01 0.02 0.00 0.13 0.00 0.00 42.46 38.52 2hd3 s ILE 44 CO 0.05 0.45 -0.08 -0.62 -1.91 0.00 0.00 174.94 172.83 2hd3 s ASP 45 N -0.49 1.38 -0.02 4.50 2.15 0.27 -1.94 116.67 122.51 2hd3 s ASP 45 Ca 0.34 -0.21 0.11 0.00 0.43 0.00 0.00 52.55 53.22 2hd3 s ASP 45 Cb -0.20 -0.63 0.19 0.00 -0.30 0.00 0.00 42.92 41.98 2hd3 s ASP 45 CO 0.21 -0.02 1.08 -0.46 -0.17 0.00 0.00 175.17 175.80 2hd3 n ASN 46 N 4.03 0.63 -0.00 -0.34 0.23 -1.26 -1.78 115.26 116.75 2hd3 n ASN 46 Ca -0.23 -2.20 0.07 0.00 -0.53 0.00 0.00 54.58 51.69 2hd3 n ASN 46 Cb 0.51 -0.27 -0.10 0.00 -2.08 0.00 0.00 39.78 37.84 2hd3 n ASN 46 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2hd3 n ILE 47 N -0.02 0.00 -0.24 1.53 5.41 -1.26 -5.02 119.36 119.77 2hd3 n ILE 47 Ca 0.04 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.51 2hd3 n ILE 47 Cb 0.84 0.36 0.00 0.00 -0.71 0.00 0.00 39.64 40.13 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 1.66 1.57 3.76 7.39 0.00 -1.26 -5.07 105.19 113.24 2hd3 n GLY 48 Ca -0.01 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 3.51 0.44 4.61 0.00 -1.26 -5.04 121.76 122.02 2hd3 s ALA 49 Ca 0.00 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.25 2hd3 s ALA 49 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2hd3 s ALA 49 CO 0.00 -0.60 0.22 0.20 0.00 0.00 0.00 175.76 175.58 2hd3 s GLY 50 N -0.32 2.37 0.13 0.00 0.00 -1.26 -5.07 107.32 103.17 2hd3 s GLY 50 Ca 0.51 -1.88 -0.31 0.00 0.00 0.00 0.00 44.72 43.04 2hd3 s GLY 50 CO 0.49 -1.91 1.47 -1.08 0.00 0.00 0.00 173.10 172.07 2hd3 s THR 51 N -2.63 3.03 0.00 0.90 -1.32 -1.26 -2.31 115.64 112.05 2hd3 s THR 51 Ca 0.39 0.72 0.00 0.00 -1.21 0.00 0.00 61.69 61.59 2hd3 s THR 51 Cb 0.02 -3.46 0.00 0.00 -1.51 0.00 0.00 72.50 67.55 2hd3 s THR 51 CO 0.22 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 2hd3 n GLY 52 N 3.62 3.28 3.80 6.08 0.00 0.78 -4.97 105.19 117.78 2hd3 n GLY 52 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.83 4.23 -0.04 1.61 2.02 -0.98 -4.69 118.70 120.02 2hd3 s GLU 53 Ca 0.00 1.29 -0.17 0.00 0.02 0.00 0.00 54.97 56.12 2hd3 s GLU 53 Cb 0.00 -2.40 -0.05 0.00 0.10 0.00 0.00 34.13 31.78 2hd3 s GLU 53 CO 0.00 -0.04 0.46 -1.58 0.02 0.00 0.00 175.26 174.12 2hd3 s TRP 54 N -1.90 3.64 0.10 1.61 0.52 -1.26 -2.05 118.94 119.60 2hd3 s TRP 54 Ca 0.59 0.98 0.03 0.00 0.02 0.00 0.00 56.10 57.72 2hd3 s TRP 54 Cb -0.15 -2.44 -0.04 0.00 -1.15 0.00 0.00 33.47 29.69 2hd3 s TRP 54 CO 0.20 0.42 -0.08 0.14 0.02 0.00 0.00 176.95 177.65 2hd3 s VAL 55 N -0.30 0.81 -0.19 4.03 -7.23 -0.46 -0.37 120.40 116.70 2hd3 s VAL 55 Ca 0.25 -1.81 -0.08 0.00 -1.81 0.00 0.00 61.98 58.53 2hd3 s VAL 55 Cb -0.16 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 2hd3 s VAL 55 CO 0.13 -0.74 0.08 -0.22 -0.31 0.00 0.00 175.10 174.04 2hd3 s LEU 56 N -2.80 3.90 -0.01 1.32 2.96 -0.66 -1.79 118.68 121.60 2hd3 s LEU 56 Ca 0.09 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 2hd3 s LEU 56 Cb 0.02 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2hd3 s LEU 56 CO -0.02 0.17 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.31 2hd3 s LEU 57 N 0.42 3.00 0.12 -0.68 1.43 -0.21 -1.82 118.68 120.95 2hd3 s LEU 57 Ca 0.04 -0.18 0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2hd3 s LEU 57 Cb -0.12 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2hd3 s LEU 57 CO -0.00 0.30 -0.25 0.54 0.23 0.00 0.00 176.35 177.17 2hd3 s VAL 58 N -0.91 2.38 0.20 -1.59 0.11 -0.61 -2.15 120.40 117.83 2hd3 s VAL 58 Ca 0.15 -1.66 -0.02 0.00 -2.93 0.00 0.00 61.98 57.52 2hd3 s VAL 58 Cb -0.11 -2.05 -0.04 0.00 -1.53 0.00 0.00 36.38 32.65 2hd3 s VAL 58 CO 0.05 0.12 0.16 -0.94 -3.33 0.00 0.00 175.10 171.16 2hd3 s SER 59 N -2.00 0.13 0.26 3.54 1.04 -1.26 -1.17 113.70 114.24 2hd3 s SER 59 Ca 0.15 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2hd3 s SER 59 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2hd3 s SER 59 CO 0.07 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2hd3 n GLY 60 N -0.27 0.59 0.28 7.32 0.00 -1.12 -3.51 105.19 108.48 2hd3 n GLY 60 Ca 0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 8.85 0.81 0.07 1.61 4.64 -1.94 -1.34 113.55 126.24 2hd3 h SER 61 Ca 0.00 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2hd3 h SER 61 Cb 0.00 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2hd3 h SER 61 CO 0.00 0.60 -0.01 0.28 -0.87 0.00 0.00 176.83 176.83 2hd3 h SER 62 N 0.95 0.00 -0.16 4.97 0.02 -1.97 -1.35 113.55 116.01 2hd3 h SER 62 Ca 0.26 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 2hd3 h SER 62 Cb -0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2hd3 h SER 62 CO -0.05 0.01 -0.35 0.00 -1.14 0.00 0.00 176.83 175.29 2hd3 h ALA 63 N 1.99 0.25 0.31 3.77 0.00 -1.28 -1.81 119.26 122.50 2hd3 h ALA 63 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2hd3 h ALA 63 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2hd3 h ALA 63 CO 0.00 0.32 -0.22 0.00 0.00 0.00 0.00 179.25 179.35 2hd3 h ARG 64 N 0.15 -0.51 -0.87 0.00 3.08 -1.20 -1.43 114.38 113.60 2hd3 h ARG 64 Ca 0.00 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.21 2hd3 h ARG 64 Cb 0.95 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 31.05 2hd3 h ARG 64 CO 0.08 -0.34 0.56 1.96 -1.07 0.00 0.00 179.97 181.16 2hd3 h GLN 65 N -0.53 0.69 -0.19 0.04 7.50 -1.44 0.62 115.11 121.81 2hd3 h GLN 65 Ca -0.02 -0.04 -0.10 0.00 0.50 0.00 0.00 58.65 58.99 2hd3 h GLN 65 Cb 0.45 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 2hd3 h GLN 65 CO 0.00 0.46 -0.30 0.00 -1.50 0.00 0.00 178.83 177.50 2hd3 h ALA 66 N 1.59 1.13 0.13 3.87 0.00 -0.80 -3.22 119.26 121.97 2hd3 h ALA 66 Ca 0.42 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2hd3 h ALA 66 Cb 0.63 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.33 2hd3 h ALA 66 CO -0.19 0.55 -0.90 1.25 0.00 0.00 0.00 179.25 179.97 2hd3 h HIS 67 N 0.33 0.50 0.00 0.00 -0.00 -0.04 -3.49 115.15 112.45 2hd3 h HIS 67 Ca 0.05 -0.36 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2hd3 h HIS 67 Cb 0.70 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 2hd3 h HIS 67 CO 0.02 1.34 0.00 1.17 -0.00 0.00 0.00 177.93 180.46 2hd3 n LYS 68 N -4.11 0.00 0.00 5.26 0.00 0.05 -5.11 118.16 114.24 2hd3 n LYS 68 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.15 2hd3 n LYS 68 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.85 2hd3 n LYS 68 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2hd3 n SER 69 N -0.73 0.00 -0.08 3.14 3.41 -1.21 -4.72 113.62 113.43 2hd3 n SER 69 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 2hd3 n SER 69 Cb 0.00 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.47 2hd3 n SER 69 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hd3 n GLU 70 N 0.00 0.41 0.00 4.33 -0.58 -1.26 -3.28 120.64 120.26 2hd3 n GLU 70 Ca 0.00 -0.15 0.11 0.00 -0.42 0.00 0.00 57.16 56.70 2hd3 n GLU 70 Cb 0.00 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 29.51 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 -1.16 0.00 -1.89 2.62 -2.24 -1.26 -4.91 114.28 105.43 2hd3 n THR 71 Ca 0.11 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 2hd3 n THR 71 Cb 0.31 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 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 -2.86 6.56 -1.44 3.42 0.01 -1.23 -4.85 113.70 113.31 2hd3 s SER 72 Ca 0.13 2.61 -0.08 0.00 1.31 0.00 0.00 55.95 59.92 2hd3 s SER 72 Cb 0.17 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 2hd3 s SER 72 CO 0.71 -0.87 2.77 -0.81 0.41 0.00 0.00 173.24 175.44 2hd3 n PRO 73 N 4.62 3.96 -3.99 12.44 -0.04 -1.26 -4.81 135.00 145.93 2hd3 n PRO 73 Ca 0.15 -2.63 -0.09 0.00 -0.04 0.00 0.00 63.50 60.89 2hd3 n PRO 73 Cb 0.39 -2.70 -0.10 0.00 -0.04 0.00 0.00 33.50 31.05 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 0.81 0.15 -0.03 0.52 -7.23 -1.26 -4.99 120.40 108.36 2hd3 s VAL 74 Ca 0.64 -1.20 0.05 0.00 -1.81 0.00 0.00 61.98 59.66 2hd3 s VAL 74 Cb 0.19 -0.80 0.08 0.00 0.56 0.00 0.00 36.38 36.41 2hd3 s VAL 74 CO -0.07 -0.66 1.04 -0.90 -0.31 0.00 0.00 175.10 174.20 2hd3 n ASP 75 N 0.94 0.56 -3.63 4.85 3.85 -1.26 -4.09 116.55 117.77 2hd3 n ASP 75 Ca -0.20 -2.26 -0.02 0.00 -0.71 0.00 0.00 54.79 51.60 2hd3 n ASP 75 Cb 0.58 -0.26 -0.05 0.00 -1.35 0.00 0.00 41.12 40.04 2hd3 n ASP 75 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2hd3 s LEU 76 N -0.66 -1.04 -0.05 -2.12 1.43 -1.26 -2.77 118.68 112.20 2hd3 s LEU 76 Ca 0.08 1.48 -0.04 0.00 -1.03 0.00 0.00 54.13 54.63 2hd3 s LEU 76 Cb 0.08 2.26 0.02 0.00 0.03 0.00 0.00 46.19 48.58 2hd3 s LEU 76 CO 0.00 -0.21 0.13 0.00 0.23 0.00 0.00 176.35 176.50 2hd3 s VAL 78 N 0.51 4.48 -1.38 0.00 1.01 -0.82 -1.57 120.40 122.62 2hd3 s VAL 78 Ca -0.04 1.77 0.13 0.00 0.00 0.00 0.00 61.98 63.84 2hd3 s VAL 78 Cb -0.05 -4.20 0.22 0.00 0.00 0.00 0.00 36.38 32.35 2hd3 s VAL 78 CO -0.02 -0.23 1.10 2.30 0.00 0.00 0.00 175.10 178.24 2hd3 n ILE 79 N 5.48 0.47 -3.64 2.22 -5.35 -0.75 -4.71 119.36 113.08 2hd3 n ILE 79 Ca 0.13 -0.73 -0.03 0.00 -0.27 0.00 0.00 62.75 61.85 2hd3 n ILE 79 Cb 0.46 0.91 -0.04 0.00 -1.74 0.00 0.00 39.64 39.23 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 -1.05 0.09 -0.22 3.28 0.00 -1.25 -4.99 107.32 103.17 2hd3 s GLY 80 Ca 0.21 2.84 -0.11 0.00 0.00 0.00 0.00 44.72 47.66 2hd3 s GLY 80 CO 0.17 1.17 0.19 -0.42 0.00 0.00 0.00 173.10 174.21 2hd3 s ILE 81 N -0.94 5.35 -0.03 0.90 -1.09 -1.26 -1.65 121.20 122.47 2hd3 s ILE 81 Ca 0.08 0.27 -0.30 0.00 -2.23 0.00 0.00 60.65 58.47 2hd3 s ILE 81 Cb -0.01 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 2hd3 s ILE 81 CO -0.08 0.35 1.03 -0.69 -1.23 0.00 0.00 174.94 174.32 2hd3 s VAL 82 N 0.92 4.71 -0.25 2.92 1.01 0.51 -4.96 120.40 125.26 2hd3 s VAL 82 Ca 0.09 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.03 2hd3 s VAL 82 Cb -0.13 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 31.82 2hd3 s VAL 82 CO 0.04 0.10 -0.21 0.47 0.00 0.00 0.00 175.10 175.50 2hd3 n ASP 83 N 4.33 1.99 -3.55 3.32 10.43 -1.26 -4.60 116.55 127.21 2hd3 n ASP 83 Ca 0.07 -0.08 -0.17 0.00 2.57 0.00 0.00 54.79 57.18 2hd3 n ASP 83 Cb 0.49 -0.47 -0.06 0.00 1.84 0.00 0.00 41.12 42.92 2hd3 n ASP 83 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 2hd3 s GLU 84 N -2.52 1.02 -0.13 -1.24 -1.05 -1.26 0.92 118.70 114.43 2hd3 s GLU 84 Ca -0.35 0.20 -0.00 0.00 -0.15 0.00 0.00 54.97 54.67 2hd3 s GLU 84 Cb 0.09 0.48 0.03 0.00 -0.44 0.00 0.00 34.13 34.29 2hd3 s GLU 84 CO 0.60 -0.32 -0.09 0.08 0.95 0.00 0.00 175.26 176.48 2hd3 s VAL 85 N -1.24 1.21 -0.18 1.83 1.01 0.44 -4.98 120.40 118.49 2hd3 s VAL 85 Ca -0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2hd3 s VAL 85 Cb -0.01 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2hd3 s VAL 85 CO 0.09 0.34 -0.08 -0.69 0.00 0.00 0.00 175.10 174.76 2hd3 s VAL 86 N 1.62 3.20 -0.04 2.92 1.01 -1.26 -0.37 120.40 127.49 2hd3 s VAL 86 Ca 0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2hd3 s VAL 86 Cb -0.13 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2hd3 s VAL 86 CO -0.09 0.47 0.12 -0.55 0.00 0.00 0.00 175.10 175.05 2hd3 s SER 87 N 0.99 -0.11 -1.98 3.32 0.15 -0.05 -4.82 113.70 111.19 2hd3 s SER 87 Ca -0.01 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2hd3 s SER 87 Cb -0.15 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2hd3 s SER 87 CO -0.01 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2hd3 n GLY 88 N 2.90 0.81 2.57 9.45 0.00 -1.26 -1.27 105.19 118.38 2hd3 n GLY 88 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.72 1.31 3.33 -0.02 0.00 -1.26 -5.01 105.19 102.82 2hd3 n GLY 89 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 2hd3 n GLY 89 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hd3 s GLN 90 N -0.14 1.30 -0.23 1.61 -2.07 -0.40 -5.10 119.66 114.63 2hd3 s GLN 90 Ca 0.00 -1.23 -0.29 0.00 -1.82 0.00 0.00 55.36 52.02 2hd3 s GLN 90 Cb 0.00 -1.65 0.00 0.00 -1.09 0.00 0.00 33.01 30.27 2hd3 s GLN 90 CO 0.00 0.39 1.13 0.08 -1.32 0.00 0.00 175.29 175.57 2hd3 s VAL 91 N -1.07 4.50 -0.08 3.63 1.01 -1.26 -0.87 120.40 126.26 2hd3 s VAL 91 Ca 0.10 1.80 0.22 0.00 0.00 0.00 0.00 61.98 64.10 2hd3 s VAL 91 Cb -0.10 -4.23 -0.27 0.00 0.00 0.00 0.00 36.38 31.79 2hd3 s VAL 91 CO 0.05 -0.23 0.60 2.30 0.00 0.00 0.00 175.10 177.81 2hd3 n ILE 92 N 5.48 0.12 -3.65 2.22 -5.35 0.51 -4.97 119.36 113.72 2hd3 n ILE 92 Ca 0.13 -0.50 -0.14 0.00 -0.27 0.00 0.00 62.75 61.97 2hd3 n ILE 92 Cb 0.46 -0.06 -0.08 0.00 -1.74 0.00 0.00 39.64 38.23 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 -3.48 -0.73 -0.10 4.28 2.19 -1.13 -4.88 117.98 114.13 2hd3 s PHE 93 Ca -0.06 1.76 -0.08 0.00 0.33 0.00 0.00 56.93 58.88 2hd3 s PHE 93 Cb 0.13 0.26 0.03 0.00 -1.31 0.00 0.00 43.02 42.13 2hd3 s PHE 93 CO 0.89 -0.35 0.25 -1.58 1.83 0.00 0.00 175.22 176.26 2hd3 s HIS 94 N 0.41 -0.29 0.33 10.12 2.46 -1.26 -0.42 115.29 126.63 2hd3 s HIS 94 Ca -0.00 0.71 0.15 0.00 0.47 0.00 0.00 55.06 56.38 2hd3 s HIS 94 Cb -0.05 0.09 1.10 0.00 -0.13 0.00 0.00 32.58 33.60 2hd3 s HIS 94 CO -0.00 -0.16 1.45 1.63 -2.47 0.00 0.00 174.74 175.19 2hd3 n LYS 95 N 3.21 -0.06 0.00 2.88 4.76 0.26 -3.12 118.16 126.09 2hd3 n LYS 95 Ca -0.15 1.30 0.00 0.00 -2.87 0.00 0.00 58.31 56.58 2hd3 n LYS 95 Cb 0.57 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 2hd3 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2hd3 n LEU 96 N -5.15 1.34 0.00 -0.35 7.99 -1.26 -5.15 117.00 114.43 2hd3 n LEU 96 Ca 0.32 0.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.43 2hd3 n LEU 96 Cb 1.06 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.37 2hd3 n LEU 96 CO -0.01 0.00 0.00 1.21 -1.51 0.00 0.00 177.39 177.08