#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 4.27 0.01 -5.58 1.43 -1.26 -1.24 118.68 116.31 2hd3 s LEU 3 Ca 0.00 1.75 -0.25 0.00 -1.03 0.00 0.00 54.13 54.60 2hd3 s LEU 3 Cb 0.00 -4.05 0.06 0.00 0.03 0.00 0.00 46.19 42.22 2hd3 s LEU 3 CO 0.00 -0.11 0.56 0.00 0.23 0.00 0.00 176.35 177.03 2hd3 s ALA 4 N -1.71 -1.45 0.04 4.21 0.00 -0.89 -1.63 121.76 120.34 2hd3 s ALA 4 Ca 0.51 0.82 0.01 0.00 0.00 0.00 0.00 51.96 53.31 2hd3 s ALA 4 Cb -0.17 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2hd3 s ALA 4 CO 0.21 -0.45 0.07 0.54 0.00 0.00 0.00 175.76 176.14 2hd3 s VAL 5 N -1.95 4.56 -0.56 0.00 0.11 -0.23 0.01 120.40 122.34 2hd3 s VAL 5 Ca -0.08 -0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 58.14 2hd3 s VAL 5 Cb -0.01 -3.13 0.05 0.00 -1.53 0.00 0.00 36.38 31.76 2hd3 s VAL 5 CO 0.03 0.24 0.87 -0.69 -3.33 0.00 0.00 175.10 172.22 2hd3 s VAL 6 N -1.27 4.49 -0.19 2.04 1.01 -0.17 -1.05 120.40 125.25 2hd3 s VAL 6 Ca 0.26 -0.01 0.20 0.00 0.00 0.00 0.00 61.98 62.42 2hd3 s VAL 6 Cb -0.12 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2hd3 s VAL 6 CO 0.17 -1.11 0.99 0.71 0.00 0.00 0.00 175.10 175.87 2hd3 h THR 7 N 5.98 0.23 -0.08 3.92 1.35 -1.90 0.52 112.91 122.92 2hd3 h THR 7 Ca -0.27 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 2hd3 h THR 7 Cb 1.08 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2hd3 h THR 7 CO 1.08 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 177.09 2hd3 n GLY 8 N 1.26 1.24 3.52 5.82 0.00 -1.26 -4.88 105.19 110.89 2hd3 n GLY 8 Ca -0.04 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 1.51 1.43 0.03 1.61 -2.07 -1.26 -4.65 119.66 116.25 2hd3 s GLN 9 Ca 0.00 -1.15 0.06 0.00 -1.82 0.00 0.00 55.36 52.45 2hd3 s GLN 9 Cb 0.00 0.46 -0.02 0.00 -1.09 0.00 0.00 33.01 32.36 2hd3 s GLN 9 CO 0.00 -0.58 -0.18 0.42 -1.32 0.00 0.00 175.29 173.62 2hd3 s ILE 10 N -3.98 1.45 -0.18 3.63 1.01 -0.17 -4.99 121.20 117.96 2hd3 s ILE 10 Ca 0.19 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 2hd3 s ILE 10 Cb 0.00 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.22 2hd3 s ILE 10 CO 0.05 0.21 -0.12 -0.69 0.00 0.00 0.00 174.94 174.39 2hd3 s VAL 11 N -0.69 2.79 -0.41 2.92 1.01 -1.26 -4.33 120.40 120.42 2hd3 s VAL 11 Ca 0.06 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2hd3 s VAL 11 Cb -0.08 -2.22 0.13 0.00 0.00 0.00 0.00 36.38 34.21 2hd3 s VAL 11 CO 0.01 0.49 0.20 0.00 0.00 0.00 0.00 175.10 175.80 2hd3 h THR 13 N 5.61 1.15 -3.42 0.00 1.35 -2.02 -3.37 112.91 112.21 2hd3 h THR 13 Ca -0.04 -0.46 -0.65 0.00 -0.55 0.00 0.00 66.41 64.71 2hd3 h THR 13 Cb 0.95 1.10 -0.15 0.00 -1.73 0.00 0.00 68.15 68.31 2hd3 h THR 13 CO 0.50 0.15 0.21 -0.69 -0.25 0.00 0.00 175.52 175.44 2hd3 s VAL 14 N -5.60 4.73 0.16 6.82 1.01 -1.26 -5.02 120.40 121.24 2hd3 s VAL 14 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 2hd3 s VAL 14 Cb 0.07 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2hd3 s VAL 14 CO 0.71 -0.77 0.23 0.00 0.00 0.00 0.00 175.10 175.26 2hd3 s ARG 15 N 3.04 1.10 0.16 2.72 1.70 -1.26 -5.12 118.95 121.28 2hd3 s ARG 15 Ca 0.23 -1.23 -0.34 0.00 -0.47 0.00 0.00 55.73 53.92 2hd3 s ARG 15 Cb -0.15 0.35 -0.14 0.00 -0.57 0.00 0.00 34.95 34.43 2hd3 s ARG 15 CO 0.17 -0.38 1.49 1.58 -1.08 0.00 0.00 175.30 177.08 2hd3 n HIS 16 N -0.18 2.08 0.33 5.89 -0.00 -1.26 -4.79 115.22 117.29 2hd3 n HIS 16 Ca -0.07 0.38 0.22 0.00 -0.00 0.00 0.00 57.72 58.24 2hd3 n HIS 16 Cb 0.63 -2.48 1.16 0.00 -0.00 0.00 0.00 29.99 29.30 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 5.33 0.00 0.00 1.57 -0.00 -2.00 -1.34 115.15 118.72 2hd3 h HIS 17 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 2hd3 h HIS 17 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 2hd3 h HIS 17 CO 0.61 0.00 0.00 0.78 -0.00 0.00 0.00 177.93 179.32 2hd3 h GLY 18 N 0.19 0.00 0.99 2.45 0.00 -1.97 -1.96 103.07 102.77 2hd3 h GLY 18 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hd3 h GLY 18 CO 0.00 0.00 -0.72 1.04 0.00 0.00 0.00 176.54 176.86 2hd3 n LEU 19 N -2.51 0.65 0.00 3.11 7.99 -0.50 -4.84 117.00 120.89 2hd3 n LEU 19 Ca -0.00 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 2hd3 n LEU 19 Cb 0.16 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 2hd3 n LEU 19 CO 0.18 -0.01 0.00 0.00 -1.51 0.00 0.00 177.39 176.05 2hd3 n ALA 20 N -1.78 0.00 -1.94 -1.18 0.00 -0.74 -1.69 120.51 113.18 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 0.43 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.98 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 5.31 0.00 -2.40 0.00 8.25 -1.26 -5.00 115.22 120.12 2hd3 n HIS 21 Ca 0.00 -0.92 -0.39 0.00 -0.26 0.00 0.00 57.72 56.15 2hd3 n HIS 21 Cb 0.00 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.51 6.91 0.43 0.41 1.01 -0.68 -4.99 116.67 117.24 2hd3 s ASP 22 Ca 0.32 2.30 -0.25 0.00 0.71 0.00 0.00 52.55 55.63 2hd3 s ASP 22 Cb 0.33 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.57 2hd3 s ASP 22 CO -0.09 -0.40 1.27 -0.54 0.21 0.00 0.00 175.17 175.61 2hd3 s LYS 23 N -1.92 3.85 -0.32 8.23 -0.14 -1.04 -4.81 119.74 123.60 2hd3 s LYS 23 Ca 0.51 2.05 -0.06 0.00 -1.36 0.00 0.00 55.97 57.11 2hd3 s LYS 23 Cb -0.31 -2.63 0.03 0.00 -1.68 0.00 0.00 37.83 33.24 2hd3 s LYS 23 CO 0.39 -0.55 0.09 -0.51 -0.76 0.00 0.00 175.35 174.01 2hd3 s LEU 24 N -2.66 4.11 0.00 3.17 1.43 -1.26 -0.97 118.68 122.50 2hd3 s LEU 24 Ca 0.60 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2hd3 s LEU 24 Cb -0.36 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2hd3 s LEU 24 CO 0.45 -0.27 0.00 0.18 0.23 0.00 0.00 176.35 176.94 2hd3 n LEU 25 N 4.82 0.00 0.00 1.79 4.77 0.72 -1.00 117.00 128.10 2hd3 n LEU 25 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2hd3 n LEU 25 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 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 -1.48 4.08 0.24 0.14 0.46 118.33 121.76 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 -0.34 3.30 -3.66 7.34 2.13 -0.22 -1.03 120.64 128.16 2hd3 n GLU 28 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 2hd3 n GLU 28 Cb 0.00 0.00 -0.08 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 2.37 -0.33 1.19 6.31 1.01 -0.64 -1.07 121.20 130.04 2hd3 s ILE 30 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 2hd3 s ILE 30 Cb 0.00 -0.81 0.28 0.00 0.01 0.00 0.00 42.46 41.95 2hd3 s ILE 30 CO 0.00 0.03 1.03 1.51 0.00 0.00 0.00 174.94 177.51 2hd3 s ASP 31 N 2.00 0.87 0.00 3.58 3.84 0.11 -4.72 116.67 122.36 2hd3 s ASP 31 Ca -0.07 1.23 0.09 0.00 -0.00 0.00 0.00 52.55 53.79 2hd3 s ASP 31 Cb -0.09 -1.89 0.43 0.00 -1.38 0.00 0.00 42.92 40.00 2hd3 s ASP 31 CO -0.16 -4.22 1.18 -0.81 -0.00 0.00 0.00 175.17 171.16 2hd3 n PRO 32 N -4.90 0.10 -0.24 2.11 -0.04 -1.26 -1.63 135.00 129.14 2hd3 n PRO 32 Ca 0.05 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 2hd3 n PRO 32 Cb 0.56 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.32 2.58 -1.07 0.54 3.00 -1.26 -4.94 117.38 114.90 2hd3 n GLN 33 Ca 0.04 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.63 2hd3 n GLN 33 Cb 0.08 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 28.78 2hd3 n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2hd3 n GLY 34 N 1.55 0.40 3.26 1.08 0.00 -0.65 -5.04 105.19 105.79 2hd3 n GLY 34 Ca 0.21 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.97 3.17 -0.02 1.61 0.01 -1.26 -4.91 114.94 110.57 2hd3 s ASN 35 Ca 0.00 -0.52 -0.30 0.00 -0.71 0.00 0.00 52.86 51.33 2hd3 s ASN 35 Cb 0.00 -1.18 -0.06 0.00 0.41 0.00 0.00 41.25 40.43 2hd3 s ASN 35 CO 0.00 0.20 1.50 -2.16 -1.51 0.00 0.00 177.10 175.13 2hd3 s PRO 36 N 0.11 4.23 0.00 -0.60 0.04 -1.26 0.08 135.00 137.60 2hd3 s PRO 36 Ca -0.11 2.07 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2hd3 s PRO 36 Cb -0.16 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.67 2hd3 s PRO 36 CO 0.06 -0.69 0.00 -0.40 0.04 0.00 0.00 177.00 176.01 2hd3 n ASP 37 N 6.02 0.00 -0.06 6.66 5.75 -1.26 -4.88 116.55 128.78 2hd3 n ASP 37 Ca 0.15 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.97 2hd3 n ASP 37 Cb 0.43 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.57 2hd3 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hd3 n GLY 38 N 5.00 3.10 3.63 6.12 0.00 -1.26 -5.01 105.19 116.77 2hd3 n GLY 38 Ca 0.00 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.58 4.12 0.20 1.61 -1.52 -1.26 -5.05 119.66 116.17 2hd3 s GLN 39 Ca 0.12 0.52 0.10 0.00 -1.95 0.00 0.00 55.36 54.16 2hd3 s GLN 39 Cb 0.11 -3.64 -0.04 0.00 -0.22 0.00 0.00 33.01 29.21 2hd3 s GLN 39 CO 0.01 -0.39 -0.20 0.00 -0.25 0.00 0.00 175.29 174.47 2hd3 s ALA 41 N -2.13 -1.15 -0.12 0.00 0.00 -0.20 -5.00 121.76 113.17 2hd3 s ALA 41 Ca 0.21 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.71 2hd3 s ALA 41 Cb -0.06 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 2hd3 s ALA 41 CO 0.09 -1.02 -0.14 0.08 0.00 0.00 0.00 175.76 174.77 2hd3 s VAL 42 N -2.68 2.96 0.11 0.00 1.01 -1.26 0.25 120.40 120.78 2hd3 s VAL 42 Ca 0.16 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.53 2hd3 s VAL 42 Cb -0.04 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2hd3 s VAL 42 CO 0.08 0.54 -0.23 0.00 0.00 0.00 0.00 175.10 175.48 2hd3 s ALA 43 N 0.21 2.03 0.39 5.51 0.00 0.17 -4.82 121.76 125.25 2hd3 s ALA 43 Ca -0.09 -1.33 -0.21 0.00 0.00 0.00 0.00 51.96 50.34 2hd3 s ALA 43 Cb -0.15 -0.30 -0.10 0.00 0.00 0.00 0.00 23.12 22.56 2hd3 s ALA 43 CO 0.05 0.43 0.90 -1.50 0.00 0.00 0.00 175.76 175.65 2hd3 s ILE 44 N -1.11 4.43 -0.04 0.00 1.10 -0.65 -0.20 121.20 124.73 2hd3 s ILE 44 Ca 0.09 1.43 -0.01 0.00 -0.51 0.00 0.00 60.65 61.65 2hd3 s ILE 44 Cb -0.10 -3.67 0.03 0.00 0.15 0.00 0.00 42.46 38.87 2hd3 s ILE 44 CO 0.05 -0.21 0.08 -0.62 -2.11 0.00 0.00 174.94 172.13 2hd3 s ASP 45 N -2.09 0.23 0.00 4.50 2.15 -0.14 -2.25 116.67 119.06 2hd3 s ASP 45 Ca 0.58 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.70 2hd3 s ASP 45 Cb -0.11 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.53 2hd3 s ASP 45 CO 0.16 -0.16 0.62 -0.46 -0.17 0.00 0.00 175.17 175.15 2hd3 n ASN 46 N 4.45 0.68 -0.01 -0.34 0.23 -1.26 -2.49 115.26 116.52 2hd3 n ASN 46 Ca -0.22 -1.32 0.10 0.00 -0.53 0.00 0.00 54.58 52.61 2hd3 n ASN 46 Cb 0.50 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.06 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 -0.16 0.00 -1.14 1.53 5.41 -1.26 -5.04 119.36 118.70 2hd3 n ILE 47 Ca 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.39 2hd3 n ILE 47 Cb 0.38 0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.58 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 1.39 0.32 3.76 7.39 0.00 -1.26 -5.07 105.19 111.72 2hd3 n GLY 48 Ca -0.02 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.76 3.53 0.51 4.61 0.00 -1.26 -5.09 121.76 121.29 2hd3 s ALA 49 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.24 2hd3 s ALA 49 Cb 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.50 2hd3 s ALA 49 CO 0.00 0.63 0.39 0.20 0.00 0.00 0.00 175.76 176.98 2hd3 s GLY 50 N -1.18 2.30 0.39 0.00 0.00 -1.26 -5.07 107.32 102.49 2hd3 s GLY 50 Ca 0.17 -1.51 -0.27 0.00 0.00 0.00 0.00 44.72 43.11 2hd3 s GLY 50 CO 0.06 -1.88 1.30 -1.59 0.00 0.00 0.00 173.10 170.99 2hd3 s THR 51 N -2.69 2.67 0.00 0.90 2.01 -1.26 -2.80 115.64 114.47 2hd3 s THR 51 Ca 0.39 0.62 0.00 0.00 0.31 0.00 0.00 61.69 63.01 2hd3 s THR 51 Cb -0.02 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.12 2hd3 s THR 51 CO 0.23 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 2hd3 n GLY 52 N 0.69 0.80 3.91 4.40 0.00 0.18 -4.97 105.19 110.21 2hd3 n GLY 52 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.38 3.39 -0.09 1.61 2.02 -1.12 -4.84 118.70 119.30 2hd3 s GLU 53 Ca 0.00 -0.51 -0.14 0.00 0.02 0.00 0.00 54.97 54.34 2hd3 s GLU 53 Cb 0.00 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 2hd3 s GLU 53 CO 0.00 0.58 0.36 -1.58 0.02 0.00 0.00 175.26 174.64 2hd3 s TRP 54 N -1.57 3.59 0.34 1.61 0.52 -1.26 -1.00 118.94 121.16 2hd3 s TRP 54 Ca 0.34 0.80 0.03 0.00 0.02 0.00 0.00 56.10 57.30 2hd3 s TRP 54 Cb -0.12 -2.32 -0.05 0.00 -1.15 0.00 0.00 33.47 29.83 2hd3 s TRP 54 CO 0.28 0.43 0.09 0.14 0.02 0.00 0.00 176.95 177.91 2hd3 s VAL 55 N -0.25 0.82 -0.07 4.03 -7.23 0.10 -0.64 120.40 117.15 2hd3 s VAL 55 Ca 0.21 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 2hd3 s VAL 55 Cb -0.15 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 2hd3 s VAL 55 CO 0.09 0.00 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.51 2hd3 s LEU 56 N -3.48 2.65 0.10 1.32 2.96 -0.43 -2.09 118.68 119.71 2hd3 s LEU 56 Ca 0.33 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 54.05 2hd3 s LEU 56 Cb 0.06 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 2hd3 s LEU 56 CO 0.15 0.28 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.49 2hd3 s LEU 57 N -0.34 2.28 -0.04 -0.68 1.43 -0.37 -1.82 118.68 119.14 2hd3 s LEU 57 Ca 0.03 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 2hd3 s LEU 57 Cb -0.13 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 2hd3 s LEU 57 CO 0.02 0.07 -0.20 0.54 0.23 0.00 0.00 176.35 177.02 2hd3 s VAL 58 N -1.11 1.64 0.46 -1.59 0.11 -0.50 -2.28 120.40 117.13 2hd3 s VAL 58 Ca 0.07 -0.85 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 2hd3 s VAL 58 Cb -0.10 -1.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.33 2hd3 s VAL 58 CO 0.04 0.47 0.17 -0.44 -3.33 0.00 0.00 175.10 172.01 2hd3 s SER 59 N -0.14 4.35 0.30 3.54 0.01 -1.26 -1.25 113.70 119.25 2hd3 s SER 59 Ca -0.01 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2hd3 s SER 59 Cb -0.11 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2hd3 s SER 59 CO 0.02 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2hd3 n GLY 60 N -1.31 0.45 0.22 3.44 0.00 -1.13 -3.62 105.19 103.23 2hd3 n GLY 60 Ca -0.05 -0.89 0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 8.68 0.00 1.29 1.61 4.64 -1.93 -2.67 113.55 125.17 2hd3 h SER 61 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2hd3 h SER 61 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2hd3 h SER 61 CO 0.00 0.22 -0.16 0.28 -0.87 0.00 0.00 176.83 176.30 2hd3 h SER 62 N 0.00 0.00 -0.09 4.97 0.02 -1.94 -2.94 113.55 113.57 2hd3 h SER 62 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2hd3 h SER 62 Cb 0.71 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2hd3 h SER 62 CO 0.03 0.16 -0.51 0.00 -1.14 0.00 0.00 176.83 175.37 2hd3 h ALA 63 N 1.84 0.66 0.06 3.77 0.00 -1.54 -0.34 119.26 123.71 2hd3 h ALA 63 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.43 2hd3 h ALA 63 Cb 0.85 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2hd3 h ALA 63 CO 0.02 0.68 -0.14 0.00 0.00 0.00 0.00 179.25 179.81 2hd3 h ARG 64 N 0.52 -0.26 -0.80 0.00 3.08 -1.58 0.22 114.38 115.56 2hd3 h ARG 64 Ca 0.02 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2hd3 h ARG 64 Cb 1.07 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 2hd3 h ARG 64 CO 0.10 -0.17 0.50 1.96 -1.07 0.00 0.00 179.97 181.29 2hd3 h GLN 65 N -0.27 1.08 -0.89 0.04 1.08 -1.51 -2.03 115.11 112.62 2hd3 h GLN 65 Ca 0.03 -0.09 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 2hd3 h GLN 65 Cb 0.29 -0.23 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 2hd3 h GLN 65 CO -0.09 0.75 0.57 0.00 -0.95 0.00 0.00 178.83 179.10 2hd3 h ALA 66 N 1.27 1.20 0.52 3.87 0.00 -0.31 -3.03 119.26 122.77 2hd3 h ALA 66 Ca 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2hd3 h ALA 66 Cb -0.07 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.44 2hd3 h ALA 66 CO -0.06 0.38 -0.25 1.25 0.00 0.00 0.00 179.25 180.58 2hd3 h HIS 67 N 1.08 -0.64 0.00 0.00 -0.00 -0.58 -3.47 115.15 111.53 2hd3 h HIS 67 Ca 0.37 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.72 2hd3 h HIS 67 Cb 0.07 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 2hd3 h HIS 67 CO -0.02 -0.32 0.00 1.17 -0.00 0.00 0.00 177.93 178.76 2hd3 n LYS 68 N -5.29 0.00 -3.24 5.26 4.81 -0.82 -5.04 118.16 113.84 2hd3 n LYS 68 Ca -0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.26 2hd3 n LYS 68 Cb 0.32 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.39 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 -3.48 -1.86 0.09 3.14 3.41 -0.85 -4.80 113.62 109.28 2hd3 n SER 69 Ca 0.00 -2.29 0.09 0.00 -0.26 0.00 0.00 58.87 56.41 2hd3 n SER 69 Cb 0.00 3.10 0.40 0.00 -0.26 0.00 0.00 64.21 67.45 2hd3 n SER 69 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2hd3 n GLU 70 N -0.43 0.11 0.01 4.33 4.07 -1.26 -1.79 120.64 125.68 2hd3 n GLU 70 Ca -0.07 0.47 0.12 0.00 -0.06 0.00 0.00 57.16 57.62 2hd3 n GLU 70 Cb 0.48 -1.77 0.19 0.00 -0.06 0.00 0.00 31.44 30.28 2hd3 n GLU 70 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2hd3 n THR 71 N -1.98 0.07 -1.74 6.31 -2.24 -1.26 -4.92 114.28 108.51 2hd3 n THR 71 Ca 0.01 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 2hd3 n THR 71 Cb 0.12 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 2hd3 n THR 71 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2hd3 n SER 72 N -1.65 3.86 -3.30 3.42 7.64 -0.74 -4.89 113.62 117.97 2hd3 n SER 72 Ca 0.05 1.13 -0.38 0.00 1.01 0.00 0.00 58.87 60.68 2hd3 n SER 72 Cb 0.36 -1.59 -0.02 0.00 -1.01 0.00 0.00 64.21 61.95 2hd3 n SER 72 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2hd3 n PRO 73 N 2.44 4.03 -4.35 1.43 -0.04 -1.26 -4.81 135.00 132.44 2hd3 n PRO 73 Ca 0.10 -2.80 -0.18 0.00 -0.04 0.00 0.00 63.50 60.57 2hd3 n PRO 73 Cb 0.36 -2.65 -0.10 0.00 -0.04 0.00 0.00 33.50 31.07 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 0.20 1.11 0.00 0.52 -7.23 -1.26 -5.05 120.40 108.68 2hd3 s VAL 74 Ca 0.61 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2hd3 s VAL 74 Cb 0.20 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.73 2hd3 s VAL 74 CO -0.08 -0.28 0.69 -0.90 -0.31 0.00 0.00 175.10 174.22 2hd3 n ASP 75 N -0.47 0.00 -3.29 4.85 5.68 -1.26 -4.38 116.55 117.68 2hd3 n ASP 75 Ca -0.05 -1.48 0.03 0.00 -0.50 0.00 0.00 54.79 52.80 2hd3 n ASP 75 Cb 0.64 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 40.50 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 0.00 -0.56 0.06 -2.12 2.96 -1.25 -2.84 118.68 114.93 2hd3 s LEU 76 Ca 0.00 0.59 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 2hd3 s LEU 76 Cb 0.00 1.56 -0.03 0.00 0.50 0.00 0.00 46.19 48.23 2hd3 s LEU 76 CO 0.00 -0.11 -0.10 0.00 -1.32 0.00 0.00 176.35 174.82 2hd3 s VAL 78 N -1.44 5.07 -1.60 0.00 0.11 -0.96 -1.41 120.40 120.17 2hd3 s VAL 78 Ca -0.06 0.95 0.16 0.00 -2.93 0.00 0.00 61.98 60.10 2hd3 s VAL 78 Cb -0.09 -3.85 0.34 0.00 -1.53 0.00 0.00 36.38 31.25 2hd3 s VAL 78 CO 0.01 0.11 1.26 2.30 -3.33 0.00 0.00 175.10 175.44 2hd3 n ILE 79 N 4.95 0.66 0.00 7.04 -5.35 -0.76 -4.66 119.36 121.23 2hd3 n ILE 79 Ca -0.04 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 2hd3 n ILE 79 Cb 0.50 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 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 0.97 1.80 3.82 3.28 0.00 -1.25 -4.98 105.19 108.83 2hd3 n GLY 80 Ca 0.15 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 5.26 -0.27 -0.61 -1.09 -1.26 -1.31 121.20 119.91 2hd3 s ILE 81 Ca 0.00 0.56 -0.21 0.00 -2.23 0.00 0.00 60.65 58.78 2hd3 s ILE 81 Cb 0.00 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 2hd3 s ILE 81 CO 0.00 0.54 0.64 -0.69 -1.23 0.00 0.00 174.94 174.20 2hd3 s VAL 82 N -0.62 4.96 -0.00 2.92 1.01 0.19 -4.93 120.40 123.92 2hd3 s VAL 82 Ca 0.19 1.06 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 2hd3 s VAL 82 Cb -0.14 -3.97 -0.30 0.00 0.00 0.00 0.00 36.38 31.97 2hd3 s VAL 82 CO 0.08 -0.04 0.85 0.44 0.00 0.00 0.00 175.10 176.43 2hd3 h ASP 83 N 7.99 0.56 -4.42 3.32 3.45 -1.94 -3.41 116.42 121.97 2hd3 h ASP 83 Ca -0.27 -0.73 0.13 0.00 0.43 0.00 0.00 57.03 56.59 2hd3 h ASP 83 Cb 1.12 -0.18 -0.18 0.00 -0.56 0.00 0.00 39.33 39.53 2hd3 h ASP 83 CO 0.79 1.60 0.57 -1.83 -1.57 0.00 0.00 179.24 178.80 2hd3 s GLU 84 N -2.61 0.66 -0.07 3.56 -1.05 -1.26 0.16 118.70 118.10 2hd3 s GLU 84 Ca -0.11 -0.15 0.01 0.00 -0.15 0.00 0.00 54.97 54.58 2hd3 s GLU 84 Cb 0.06 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 34.08 2hd3 s GLU 84 CO 0.88 -0.27 -0.08 0.08 0.95 0.00 0.00 175.26 176.81 2hd3 s VAL 85 N -2.45 0.86 -0.17 1.83 1.01 0.95 -4.97 120.40 117.46 2hd3 s VAL 85 Ca 0.04 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2hd3 s VAL 85 Cb -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2hd3 s VAL 85 CO -0.05 0.31 -0.19 -0.69 0.00 0.00 0.00 175.10 174.47 2hd3 s VAL 86 N 1.02 2.18 0.00 2.92 1.01 -1.26 0.32 120.40 126.59 2hd3 s VAL 86 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2hd3 s VAL 86 Cb -0.14 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2hd3 s VAL 86 CO -0.00 0.53 0.00 -0.24 0.00 0.00 0.00 175.10 175.39 2hd3 n SER 87 N 4.43 0.00 -2.51 3.32 2.88 -0.16 -4.80 113.62 116.78 2hd3 n SER 87 Ca -0.20 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.20 2hd3 n SER 87 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 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 4.36 2.62 3.63 0.46 0.00 -1.26 -4.33 105.19 110.67 2hd3 n GLY 88 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 3.02 2.18 3.77 -0.02 0.00 -1.26 -4.96 105.19 107.92 2hd3 n GLY 89 Ca 0.35 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 2.80 -0.15 1.61 -1.52 -1.26 -5.07 119.66 116.06 2hd3 s GLN 90 Ca 0.00 -0.91 -0.29 0.00 -1.95 0.00 0.00 55.36 52.21 2hd3 s GLN 90 Cb 0.00 -2.59 -0.01 0.00 -0.22 0.00 0.00 33.01 30.19 2hd3 s GLN 90 CO 0.00 0.48 1.06 0.08 -0.25 0.00 0.00 175.29 176.66 2hd3 s VAL 91 N -1.72 4.66 -0.70 1.09 1.01 -1.26 -0.99 120.40 122.48 2hd3 s VAL 91 Ca 0.30 1.96 0.16 0.00 0.00 0.00 0.00 61.98 64.40 2hd3 s VAL 91 Cb -0.10 -4.26 -0.19 0.00 0.00 0.00 0.00 36.38 31.83 2hd3 s VAL 91 CO 0.22 -0.07 0.67 2.30 0.00 0.00 0.00 175.10 178.22 2hd3 n ILE 92 N 4.90 0.00 -3.64 2.22 -5.35 0.15 -4.96 119.36 112.68 2hd3 n ILE 92 Ca 0.11 -0.14 -0.11 0.00 -0.27 0.00 0.00 62.75 62.34 2hd3 n ILE 92 Cb 0.47 0.91 -0.07 0.00 -1.74 0.00 0.00 39.64 39.22 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 -2.61 -0.60 -0.05 4.28 2.19 -1.14 -4.90 117.98 115.15 2hd3 s PHE 93 Ca 0.05 1.46 -0.03 0.00 0.33 0.00 0.00 56.93 58.74 2hd3 s PHE 93 Cb 0.12 0.33 0.02 0.00 -1.31 0.00 0.00 43.02 42.18 2hd3 s PHE 93 CO 0.68 -0.29 0.12 -1.58 1.83 0.00 0.00 175.22 175.97 2hd3 s HIS 94 N 0.31 -0.13 0.15 10.12 2.46 -1.26 -0.03 115.29 126.92 2hd3 s HIS 94 Ca 0.02 0.35 -0.33 0.00 0.47 0.00 0.00 55.06 55.57 2hd3 s HIS 94 Cb -0.05 -0.02 -0.17 0.00 -0.13 0.00 0.00 32.58 32.21 2hd3 s HIS 94 CO -0.04 -0.10 0.95 1.63 -2.47 0.00 0.00 174.74 174.71 2hd3 n LYS 95 N 3.51 0.61 -0.31 2.88 4.76 0.42 -4.86 118.16 125.18 2hd3 n LYS 95 Ca -0.18 0.22 0.06 0.00 -2.87 0.00 0.00 58.31 55.53 2hd3 n LYS 95 Cb 0.56 -1.56 0.15 0.00 -1.84 0.00 0.00 35.03 32.33 2hd3 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2hd3 h LEU 96 N 2.50 -0.70 0.00 -0.35 -0.00 -1.93 -3.51 115.31 111.32 2hd3 h LEU 96 Ca -0.40 0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2hd3 h LEU 96 Cb 1.39 0.51 0.00 0.00 -0.00 0.00 0.00 40.66 42.56 2hd3 h LEU 96 CO 0.64 -0.28 0.00 -1.84 -0.00 0.00 0.00 178.44 176.96