#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 4.26 0.26 -0.35 0.20 -1.26 -0.29 118.68 121.49 2hd3 s LEU 3 Ca 0.00 0.54 -0.20 0.00 0.69 0.00 0.00 54.13 55.16 2hd3 s LEU 3 Cb 0.00 -3.27 0.06 0.00 -0.43 0.00 0.00 46.19 42.55 2hd3 s LEU 3 CO 0.00 0.04 0.92 0.00 -0.29 0.00 0.00 176.35 177.02 2hd3 s ALA 4 N -1.69 -1.28 0.09 5.97 0.00 -0.88 -2.74 121.76 121.23 2hd3 s ALA 4 Ca 0.40 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.03 2hd3 s ALA 4 Cb -0.12 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2hd3 s ALA 4 CO 0.26 -1.03 -0.23 0.08 0.00 0.00 0.00 175.76 174.84 2hd3 s VAL 5 N -2.49 1.85 -0.40 0.00 1.01 0.08 -0.28 120.40 120.17 2hd3 s VAL 5 Ca 0.18 -1.50 -0.25 0.00 0.00 0.00 0.00 61.98 60.40 2hd3 s VAL 5 Cb -0.04 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.72 2hd3 s VAL 5 CO 0.07 0.06 0.91 -0.69 0.00 0.00 0.00 175.10 175.45 2hd3 s VAL 6 N -1.03 4.56 -1.20 2.92 1.01 -0.51 -1.55 120.40 124.60 2hd3 s VAL 6 Ca 0.09 1.00 0.22 0.00 0.00 0.00 0.00 61.98 63.29 2hd3 s VAL 6 Cb -0.10 -4.36 -0.16 0.00 0.00 0.00 0.00 36.38 31.77 2hd3 s VAL 6 CO 0.04 -0.63 1.00 0.35 0.00 0.00 0.00 175.10 175.86 2hd3 n THR 7 N 6.11 0.00 -3.11 3.92 -2.24 -1.26 -0.13 114.28 117.57 2hd3 n THR 7 Ca 0.06 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2hd3 n THR 7 Cb 0.48 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.48 -0.53 3.31 3.38 0.00 -1.26 -4.96 105.19 106.61 2hd3 n GLY 8 Ca 0.05 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.15 0.70 -0.02 1.61 -2.07 -1.26 -4.56 119.66 112.90 2hd3 s GLN 9 Ca 0.00 0.09 -0.02 0.00 -1.82 0.00 0.00 55.36 53.61 2hd3 s GLN 9 Cb 0.00 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 2hd3 s GLN 9 CO 0.00 -0.18 0.12 0.42 -1.32 0.00 0.00 175.29 174.34 2hd3 s ILE 10 N -0.90 5.06 -0.19 3.63 1.09 0.48 -4.99 121.20 125.37 2hd3 s ILE 10 Ca -0.10 -0.26 0.01 0.00 -1.10 0.00 0.00 60.65 59.21 2hd3 s ILE 10 Cb -0.04 -3.32 0.03 0.00 -1.06 0.00 0.00 42.46 38.07 2hd3 s ILE 10 CO 0.04 0.36 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.38 2hd3 s VAL 11 N -1.23 2.04 -0.35 2.92 1.01 -1.26 -4.38 120.40 119.15 2hd3 s VAL 11 Ca 0.24 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2hd3 s VAL 11 Cb -0.12 -1.90 0.10 0.00 0.00 0.00 0.00 36.38 34.46 2hd3 s VAL 11 CO 0.15 0.43 0.09 0.00 0.00 0.00 0.00 175.10 175.77 2hd3 h THR 13 N 6.42 1.27 -3.41 0.00 2.02 -2.06 -3.37 112.91 113.79 2hd3 h THR 13 Ca -0.07 -1.39 -0.73 0.00 0.77 0.00 0.00 66.41 65.00 2hd3 h THR 13 Cb 1.00 1.27 -0.24 0.00 -1.74 0.00 0.00 68.15 68.45 2hd3 h THR 13 CO 0.52 0.46 -0.40 -0.69 0.37 0.00 0.00 175.52 175.77 2hd3 s VAL 14 N -4.54 4.93 0.19 3.16 1.01 -1.26 -5.04 120.40 118.85 2hd3 s VAL 14 Ca -0.09 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 2hd3 s VAL 14 Cb 0.13 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2hd3 s VAL 14 CO 0.84 -0.47 0.27 0.00 0.00 0.00 0.00 175.10 175.74 2hd3 s ARG 15 N 1.59 1.25 0.21 2.72 1.70 -1.26 -5.13 118.95 120.03 2hd3 s ARG 15 Ca 0.04 -1.35 -0.32 0.00 -0.47 0.00 0.00 55.73 53.63 2hd3 s ARG 15 Cb -0.22 0.36 -0.12 0.00 -0.57 0.00 0.00 34.95 34.39 2hd3 s ARG 15 CO 0.06 -0.45 1.72 1.58 -1.08 0.00 0.00 175.30 177.13 2hd3 n HIS 16 N -0.26 2.76 0.26 5.89 -0.00 -1.26 -4.88 115.22 117.73 2hd3 n HIS 16 Ca -0.03 0.04 0.09 0.00 -0.00 0.00 0.00 57.72 57.82 2hd3 n HIS 16 Cb 0.64 -2.67 0.68 0.00 -0.00 0.00 0.00 29.99 28.63 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 6.70 0.00 0.00 1.57 -0.00 -2.00 -1.30 115.15 120.12 2hd3 h HIS 17 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 2hd3 h HIS 17 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2hd3 h HIS 17 CO 0.64 0.01 0.00 0.41 -0.00 0.00 0.00 177.93 178.99 2hd3 n GLY 18 N -1.47 -0.37 0.05 2.45 0.00 -1.26 -0.89 105.19 103.69 2hd3 n GLY 18 Ca -0.03 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.27 0.59 0.00 0.99 4.77 -0.49 -4.59 117.00 117.00 2hd3 n LEU 19 Ca 0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2hd3 n LEU 19 Cb 0.02 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2hd3 n LEU 19 CO 0.02 -0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 2hd3 n ALA 20 N -1.71 0.00 -1.10 -1.18 0.00 -0.07 -2.89 120.51 113.56 2hd3 n ALA 20 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2hd3 n ALA 20 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 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 13.88 0.00 -1.10 0.00 8.25 -1.26 -4.98 115.22 130.01 2hd3 n HIS 21 Ca 0.00 -0.14 -0.34 0.00 -0.26 0.00 0.00 57.72 56.98 2hd3 n HIS 21 Cb 0.00 -0.03 0.12 0.00 1.12 0.00 0.00 29.99 31.20 2hd3 n HIS 21 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2hd3 n ASP 22 N -0.17 0.51 -4.84 0.41 10.43 -1.14 -4.97 116.55 116.77 2hd3 n ASP 22 Ca 0.01 0.57 -0.32 0.00 2.57 0.00 0.00 54.79 57.62 2hd3 n ASP 22 Cb 0.52 -1.45 -0.03 0.00 1.84 0.00 0.00 41.12 42.00 2hd3 n ASP 22 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2hd3 s LYS 23 N -3.91 3.90 -0.29 -1.24 2.47 -0.95 -4.87 119.74 114.86 2hd3 s LYS 23 Ca 0.71 0.96 -0.01 0.00 -1.56 0.00 0.00 55.97 56.07 2hd3 s LYS 23 Cb -0.29 -2.13 0.05 0.00 -1.46 0.00 0.00 37.83 34.00 2hd3 s LYS 23 CO 0.53 -0.31 -0.02 -0.51 0.16 0.00 0.00 175.35 175.20 2hd3 s LEU 24 N -4.13 3.75 0.00 5.43 1.43 -1.26 -1.01 118.68 122.89 2hd3 s LEU 24 Ca 0.59 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2hd3 s LEU 24 Cb -0.10 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2hd3 s LEU 24 CO 0.32 -0.24 0.00 0.18 0.23 0.00 0.00 176.35 176.85 2hd3 n LEU 25 N 4.60 0.00 0.00 1.79 4.77 -0.08 -0.39 117.00 127.69 2hd3 n LEU 25 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2hd3 n LEU 25 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2hd3 n LEU 25 CO 0.26 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.65 2hd3 n VAL 27 N 0.00 0.00 -2.63 4.08 0.24 0.16 -1.17 118.33 119.01 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 -0.21 1.40 -3.71 7.34 2.13 -0.59 -1.86 120.64 125.13 2hd3 n GLU 28 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 2hd3 n GLU 28 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 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 0.31 -0.01 0.94 6.31 1.01 -1.11 -0.75 121.20 127.91 2hd3 s ILE 30 Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.55 2hd3 s ILE 30 Cb 0.00 -0.61 0.16 0.00 0.01 0.00 0.00 42.46 42.02 2hd3 s ILE 30 CO 0.00 0.01 1.18 1.51 0.00 0.00 0.00 174.94 177.64 2hd3 s ASP 31 N 0.68 3.29 0.67 3.58 3.84 0.06 -4.86 116.67 123.93 2hd3 s ASP 31 Ca -0.04 0.75 0.41 0.00 -0.00 0.00 0.00 52.55 53.67 2hd3 s ASP 31 Cb -0.05 -1.16 2.22 0.00 -1.38 0.00 0.00 42.92 42.55 2hd3 s ASP 31 CO -0.05 -2.66 2.26 1.55 -0.00 0.00 0.00 175.17 176.27 2hd3 h PRO 32 N -1.58 0.00 -0.64 2.11 0.13 -2.02 -1.59 132.00 128.41 2hd3 h PRO 32 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2hd3 h PRO 32 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2hd3 h PRO 32 CO 0.55 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.26 2hd3 n GLN 33 N -3.05 4.23 -3.05 0.86 -0.06 -1.26 -4.94 117.38 110.12 2hd3 n GLN 33 Ca -0.03 -2.68 -0.13 0.00 -2.00 0.00 0.00 57.00 52.16 2hd3 n GLN 33 Cb 0.15 -2.12 0.07 0.00 -4.06 0.00 0.00 30.24 24.28 2hd3 n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2hd3 n GLY 34 N 0.61 -0.46 3.07 1.69 0.00 -0.60 -5.05 105.19 104.45 2hd3 n GLY 34 Ca 0.24 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.75 -0.23 0.05 1.61 0.01 -1.25 -4.93 114.94 106.44 2hd3 s ASN 35 Ca 0.17 0.45 -0.30 0.00 -0.71 0.00 0.00 52.86 52.46 2hd3 s ASN 35 Cb -0.02 0.41 -0.08 0.00 0.41 0.00 0.00 41.25 41.98 2hd3 s ASN 35 CO 0.60 -0.10 1.62 -2.16 -1.51 0.00 0.00 177.10 175.55 2hd3 s PRO 36 N 0.49 4.21 0.00 -0.60 0.04 -1.26 -0.76 135.00 137.12 2hd3 s PRO 36 Ca -0.03 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2hd3 s PRO 36 Cb -0.05 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2hd3 s PRO 36 CO -0.03 -0.73 0.00 -0.40 0.04 0.00 0.00 177.00 175.89 2hd3 n ASP 37 N 5.73 0.00 0.00 6.66 3.85 -1.26 -4.93 116.55 126.60 2hd3 n ASP 37 Ca 0.16 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.24 2hd3 n ASP 37 Cb 0.41 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 2hd3 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2hd3 n GLY 38 N 5.00 0.00 3.51 6.12 0.00 -1.26 -5.01 105.19 113.55 2hd3 n GLY 38 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2hd3 n GLY 38 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hd3 n GLN 39 N -1.67 0.28 -5.05 1.61 1.13 -1.26 -4.90 117.38 107.53 2hd3 n GLN 39 Ca 0.00 -0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.73 2hd3 n GLN 39 Cb 0.31 -2.03 -0.15 0.00 0.11 0.00 0.00 30.24 28.48 2hd3 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hd3 n ALA 41 N 2.82 -0.48 -3.42 0.00 0.00 -0.78 -5.00 120.51 113.66 2hd3 n ALA 41 Ca -0.17 -1.12 -0.31 0.00 0.00 0.00 0.00 53.44 51.84 2hd3 n ALA 41 Cb 0.52 0.90 -0.17 0.00 0.00 0.00 0.00 19.45 20.70 2hd3 n ALA 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hd3 s VAL 42 N -2.63 1.92 0.08 0.00 1.01 -1.26 -0.67 120.40 118.85 2hd3 s VAL 42 Ca 0.19 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.33 2hd3 s VAL 42 Cb -0.01 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2hd3 s VAL 42 CO 0.14 0.53 -0.23 0.00 0.00 0.00 0.00 175.10 175.54 2hd3 s ALA 43 N 0.58 1.96 0.33 5.51 0.00 -0.32 -4.75 121.76 125.07 2hd3 s ALA 43 Ca -0.14 -1.23 -0.25 0.00 0.00 0.00 0.00 51.96 50.34 2hd3 s ALA 43 Cb -0.17 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.52 2hd3 s ALA 43 CO 0.04 0.43 0.93 -1.50 0.00 0.00 0.00 175.76 175.66 2hd3 s ILE 44 N -0.98 4.26 -0.02 0.00 1.10 -0.77 -0.90 121.20 123.89 2hd3 s ILE 44 Ca 0.09 1.75 0.02 0.00 -0.51 0.00 0.00 60.65 62.00 2hd3 s ILE 44 Cb -0.10 -3.95 -0.00 0.00 0.15 0.00 0.00 42.46 38.56 2hd3 s ILE 44 CO 0.04 0.09 -0.08 -0.62 -2.11 0.00 0.00 174.94 172.26 2hd3 s ASP 45 N -1.69 1.04 0.00 4.50 3.68 -0.18 -2.16 116.67 121.86 2hd3 s ASP 45 Ca 0.51 -0.16 0.00 0.00 2.13 0.00 0.00 52.55 55.03 2hd3 s ASP 45 Cb -0.17 -0.20 0.00 0.00 -1.45 0.00 0.00 42.92 41.09 2hd3 s ASP 45 CO 0.22 0.08 0.86 -0.46 0.13 0.00 0.00 175.17 176.00 2hd3 n ASN 46 N 3.11 0.00 -0.18 -0.34 2.04 -1.26 -2.23 115.26 116.39 2hd3 n ASN 46 Ca -0.16 -1.74 0.02 0.00 -0.44 0.00 0.00 54.58 52.26 2hd3 n ASN 46 Cb 0.56 -0.15 0.03 0.00 -2.53 0.00 0.00 39.78 37.69 2hd3 n ASN 46 CO 0.00 0.00 0.00 2.30 -0.44 0.00 0.00 177.26 179.12 2hd3 n ILE 47 N 0.00 0.38 -2.17 1.53 -5.35 -1.26 -5.02 119.36 107.48 2hd3 n ILE 47 Ca 0.00 -0.69 -0.04 0.00 -0.27 0.00 0.00 62.75 61.74 2hd3 n ILE 47 Cb 0.65 0.86 0.02 0.00 -1.74 0.00 0.00 39.64 39.43 2hd3 n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hd3 n GLY 48 N 0.08 0.28 3.74 3.28 0.00 -1.26 -5.03 105.19 106.28 2hd3 n GLY 48 Ca 0.03 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.11 3.45 0.47 4.61 0.00 -1.26 -5.07 121.76 120.86 2hd3 s ALA 49 Ca 0.07 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.06 2hd3 s ALA 49 Cb -0.01 -2.74 0.03 0.00 0.00 0.00 0.00 23.12 20.39 2hd3 s ALA 49 CO 0.21 0.04 0.65 0.20 0.00 0.00 0.00 175.76 176.86 2hd3 s GLY 50 N 0.35 1.89 -0.11 0.00 0.00 -1.26 -5.05 107.32 103.15 2hd3 s GLY 50 Ca 0.30 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 43.06 2hd3 s GLY 50 CO 0.14 -1.43 1.25 -1.08 0.00 0.00 0.00 173.10 171.99 2hd3 s THR 51 N -2.49 4.22 0.00 0.90 -1.32 -1.26 -2.76 115.64 112.93 2hd3 s THR 51 Ca 0.57 1.51 0.00 0.00 -1.21 0.00 0.00 61.69 62.56 2hd3 s THR 51 Cb -0.09 -3.98 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 2hd3 s THR 51 CO 0.35 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 2hd3 n GLY 52 N 3.52 1.64 3.86 6.08 0.00 0.81 -5.01 105.19 116.10 2hd3 n GLY 52 Ca 0.13 0.00 -0.32 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 -0.48 3.91 0.27 1.61 2.02 -1.11 -4.78 118.70 120.13 2hd3 s GLU 53 Ca 0.00 0.49 -0.14 0.00 0.02 0.00 0.00 54.97 55.35 2hd3 s GLU 53 Cb 0.00 -2.52 -0.08 0.00 0.10 0.00 0.00 34.13 31.63 2hd3 s GLU 53 CO 0.00 0.22 0.66 -1.58 0.02 0.00 0.00 175.26 174.58 2hd3 s TRP 54 N -1.92 3.44 0.29 1.61 0.52 -1.26 -1.42 118.94 120.19 2hd3 s TRP 54 Ca 0.51 1.11 0.04 0.00 0.02 0.00 0.00 56.10 57.79 2hd3 s TRP 54 Cb -0.11 -2.44 -0.03 0.00 -1.15 0.00 0.00 33.47 29.74 2hd3 s TRP 54 CO 0.19 0.21 0.22 0.14 0.02 0.00 0.00 176.95 177.73 2hd3 s VAL 55 N -1.83 0.04 -0.20 4.03 -7.23 0.61 -1.90 120.40 113.93 2hd3 s VAL 55 Ca 0.49 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2hd3 s VAL 55 Cb -0.12 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.34 2hd3 s VAL 55 CO 0.19 0.00 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.62 2hd3 s LEU 56 N -3.31 2.47 0.02 1.32 2.96 -0.68 -2.07 118.68 119.38 2hd3 s LEU 56 Ca 0.39 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2hd3 s LEU 56 Cb 0.04 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 2hd3 s LEU 56 CO 0.22 -0.02 0.07 -0.76 -1.32 0.00 0.00 176.35 174.54 2hd3 s LEU 57 N 1.33 3.85 0.12 -0.68 1.43 0.60 -0.42 118.68 124.91 2hd3 s LEU 57 Ca 0.04 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 2hd3 s LEU 57 Cb -0.14 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 2hd3 s LEU 57 CO -0.09 0.25 -0.20 0.54 0.23 0.00 0.00 176.35 177.07 2hd3 s VAL 58 N -1.23 1.77 0.37 -1.59 0.11 -0.05 -1.93 120.40 117.85 2hd3 s VAL 58 Ca 0.24 -1.68 0.03 0.00 -2.93 0.00 0.00 61.98 57.65 2hd3 s VAL 58 Cb -0.12 -1.67 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 2hd3 s VAL 58 CO 0.16 -0.14 0.10 -0.94 -3.33 0.00 0.00 175.10 170.94 2hd3 s SER 59 N -2.17 2.58 0.68 3.54 1.04 -1.26 -0.99 113.70 117.12 2hd3 s SER 59 Ca 0.10 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.99 2hd3 s SER 59 Cb -0.09 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2hd3 s SER 59 CO 0.05 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2hd3 n GLY 60 N -0.81 0.95 0.23 7.32 0.00 -1.04 -2.96 105.19 108.88 2hd3 n GLY 60 Ca -0.05 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.28 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 8.92 0.16 -0.07 1.61 4.64 -1.93 -0.79 113.55 126.09 2hd3 h SER 61 Ca 0.00 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2hd3 h SER 61 Cb 0.00 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2hd3 h SER 61 CO 0.00 0.37 0.10 0.28 -0.87 0.00 0.00 176.83 176.71 2hd3 h SER 62 N 0.16 0.00 0.02 4.97 0.02 -1.93 -1.68 113.55 115.11 2hd3 h SER 62 Ca 0.03 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2hd3 h SER 62 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2hd3 h SER 62 CO 0.03 0.00 -0.42 0.00 -1.14 0.00 0.00 176.83 175.30 2hd3 h ALA 63 N 1.86 0.06 -0.37 3.77 0.00 -1.06 -2.68 119.26 120.84 2hd3 h ALA 63 Ca 0.03 -0.70 0.08 0.00 0.00 0.00 0.00 54.91 54.32 2hd3 h ALA 63 Cb 0.23 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2hd3 h ALA 63 CO -0.00 0.23 -0.12 0.00 0.00 0.00 0.00 179.25 179.36 2hd3 h ARG 64 N -0.90 -0.04 0.15 0.00 3.08 -1.14 0.61 114.38 116.15 2hd3 h ARG 64 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2hd3 h ARG 64 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2hd3 h ARG 64 CO -0.02 -0.03 -0.07 1.96 -1.07 0.00 0.00 179.97 180.74 2hd3 h GLN 65 N -0.04 -0.20 0.00 0.04 1.08 -1.04 -1.31 115.11 113.64 2hd3 h GLN 65 Ca 0.18 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2hd3 h GLN 65 Cb 0.32 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2hd3 h GLN 65 CO -0.41 -0.05 0.14 0.00 -0.95 0.00 0.00 178.83 177.57 2hd3 n ALA 66 N -2.23 0.84 -0.01 3.87 0.00 -0.83 -2.87 120.51 119.28 2hd3 n ALA 66 Ca -0.09 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 2hd3 n ALA 66 Cb 0.14 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 2hd3 n ALA 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hd3 h HIS 67 N 0.00 0.00 0.00 0.00 -0.00 0.18 -3.49 115.15 111.85 2hd3 h HIS 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2hd3 h HIS 67 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 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 -2.70 0.00 -0.02 5.26 3.00 -0.70 -5.06 118.16 117.95 2hd3 n LYS 68 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2hd3 n LYS 68 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.06 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 -2.46 0.00 -0.15 3.14 3.41 -0.98 -4.91 113.62 111.68 2hd3 n SER 69 Ca 0.00 -0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 2hd3 n SER 69 Cb 0.00 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.56 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 1.20 -0.04 4.33 -0.58 -1.26 -2.52 120.64 121.76 2hd3 n GLU 70 Ca 0.00 -0.29 0.01 0.00 -0.42 0.00 0.00 57.16 56.46 2hd3 n GLU 70 Cb 0.00 -1.38 -0.16 0.00 -0.57 0.00 0.00 31.44 29.34 2hd3 n GLU 70 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2hd3 n THR 71 N -0.54 0.69 -1.68 2.62 -1.04 -1.26 -4.97 114.28 108.09 2hd3 n THR 71 Ca 0.17 -0.67 -0.56 0.00 -2.04 0.00 0.00 64.05 60.95 2hd3 n THR 71 Cb 0.15 -0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 68.34 2hd3 n THR 71 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2hd3 n SER 72 N -2.52 2.17 -2.49 8.00 7.64 -1.20 -4.84 113.62 120.39 2hd3 n SER 72 Ca -0.17 1.09 -0.22 0.00 1.01 0.00 0.00 58.87 60.57 2hd3 n SER 72 Cb 0.84 -1.14 -0.11 0.00 -1.01 0.00 0.00 64.21 62.79 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 4.67 2.65 -4.13 1.43 -0.04 -1.26 -4.74 135.00 133.57 2hd3 n PRO 73 Ca 0.25 -1.62 -0.13 0.00 -0.04 0.00 0.00 63.50 61.95 2hd3 n PRO 73 Cb 0.14 -2.26 -0.11 0.00 -0.04 0.00 0.00 33.50 31.23 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 0.79 0.75 -0.01 0.52 -7.23 -1.26 -5.03 120.40 108.93 2hd3 s VAL 74 Ca 0.66 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 2hd3 s VAL 74 Cb 0.28 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 36.13 2hd3 s VAL 74 CO -0.05 -0.52 0.87 -0.90 -0.31 0.00 0.00 175.10 174.19 2hd3 n ASP 75 N 0.86 1.42 -3.50 4.85 3.85 -1.26 -4.12 116.55 118.65 2hd3 n ASP 75 Ca -0.18 -1.77 -0.02 0.00 -0.71 0.00 0.00 54.79 52.11 2hd3 n ASP 75 Cb 0.57 -0.02 -0.04 0.00 -1.35 0.00 0.00 41.12 40.27 2hd3 n ASP 75 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 2hd3 s LEU 76 N -0.78 -1.09 -0.01 -2.12 0.20 -1.26 -2.49 118.68 111.13 2hd3 s LEU 76 Ca 0.01 1.20 0.00 0.00 0.69 0.00 0.00 54.13 56.04 2hd3 s LEU 76 Cb 0.01 2.02 0.01 0.00 -0.43 0.00 0.00 46.19 47.80 2hd3 s LEU 76 CO 0.00 -0.24 -0.01 0.00 -0.29 0.00 0.00 176.35 175.82 2hd3 s VAL 78 N 0.31 4.72 -0.96 0.00 0.11 -0.92 -0.87 120.40 122.78 2hd3 s VAL 78 Ca -0.03 2.02 0.10 0.00 -2.93 0.00 0.00 61.98 61.15 2hd3 s VAL 78 Cb -0.05 -4.30 0.24 0.00 -1.53 0.00 0.00 36.38 30.74 2hd3 s VAL 78 CO -0.01 -0.09 1.15 2.30 -3.33 0.00 0.00 175.10 175.12 2hd3 n ILE 79 N 4.94 0.78 -3.59 7.04 -5.35 0.44 -4.70 119.36 118.92 2hd3 n ILE 79 Ca 0.10 -0.89 -0.05 0.00 -0.27 0.00 0.00 62.75 61.64 2hd3 n ILE 79 Cb 0.47 0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 39.00 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 -0.97 -0.24 -0.26 3.28 0.00 -1.23 -4.94 107.32 102.96 2hd3 s GLY 80 Ca 0.20 1.83 0.01 0.00 0.00 0.00 0.00 44.72 46.76 2hd3 s GLY 80 CO 0.14 0.69 -0.09 -0.42 0.00 0.00 0.00 173.10 173.42 2hd3 s ILE 81 N -2.05 2.39 0.10 0.90 1.01 -1.26 -1.69 121.20 120.59 2hd3 s ILE 81 Ca 0.07 -1.47 -0.31 0.00 0.00 0.00 0.00 60.65 58.94 2hd3 s ILE 81 Cb -0.01 -2.35 -0.09 0.00 0.01 0.00 0.00 42.46 40.02 2hd3 s ILE 81 CO -0.05 0.02 1.70 -0.69 0.00 0.00 0.00 174.94 175.93 2hd3 s VAL 82 N 1.17 2.82 -0.09 2.92 1.01 -0.80 -4.91 120.40 122.51 2hd3 s VAL 82 Ca -0.06 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 2hd3 s VAL 82 Cb -0.19 -3.22 -0.28 0.00 0.00 0.00 0.00 36.38 32.69 2hd3 s VAL 82 CO -0.05 0.00 0.51 0.44 0.00 0.00 0.00 175.10 176.01 2hd3 h ASP 83 N 8.22 0.50 -4.62 3.32 3.32 -1.94 -3.42 116.42 121.80 2hd3 h ASP 83 Ca -0.44 -0.93 0.14 0.00 0.02 0.00 0.00 57.03 55.82 2hd3 h ASP 83 Cb 1.21 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.44 2hd3 h ASP 83 CO 0.93 1.80 0.55 -1.83 -1.72 0.00 0.00 179.24 178.98 2hd3 s GLU 84 N -2.56 0.75 -0.03 3.56 -1.05 -1.26 -0.60 118.70 117.51 2hd3 s GLU 84 Ca -0.19 -0.28 0.02 0.00 -0.15 0.00 0.00 54.97 54.36 2hd3 s GLU 84 Cb 0.06 0.34 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 2hd3 s GLU 84 CO 0.80 -0.33 -0.08 0.08 0.95 0.00 0.00 175.26 176.69 2hd3 s VAL 85 N -3.01 0.72 0.01 1.83 1.01 0.54 -4.98 120.40 116.53 2hd3 s VAL 85 Ca 0.06 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.83 2hd3 s VAL 85 Cb -0.01 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2hd3 s VAL 85 CO -0.08 0.24 -0.24 -0.69 0.00 0.00 0.00 175.10 174.33 2hd3 s VAL 86 N 0.45 2.27 0.00 2.92 1.01 -1.26 0.39 120.40 126.18 2hd3 s VAL 86 Ca -0.07 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.71 2hd3 s VAL 86 Cb -0.11 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2hd3 s VAL 86 CO 0.01 0.47 0.00 -0.24 0.00 0.00 0.00 175.10 175.33 2hd3 n SER 87 N 2.05 0.00 -2.20 3.32 2.88 -0.99 -4.86 113.62 113.82 2hd3 n SER 87 Ca -0.16 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.22 2hd3 n SER 87 Cb 0.52 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.83 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 4.99 3.13 2.44 0.46 0.00 -1.26 -4.44 105.19 110.51 2hd3 n GLY 88 Ca 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 2.67 0.89 2.90 -0.02 0.00 -1.26 -4.97 105.19 105.41 2hd3 n GLY 89 Ca 0.47 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.31 1.51 0.07 1.61 -1.52 -1.26 -5.10 119.66 112.65 2hd3 s GLN 90 Ca 0.00 -0.33 -0.30 0.00 -1.95 0.00 0.00 55.36 52.77 2hd3 s GLN 90 Cb 0.00 -1.72 -0.09 0.00 -0.22 0.00 0.00 33.01 30.98 2hd3 s GLN 90 CO 0.00 -0.31 1.89 0.54 -0.25 0.00 0.00 175.29 177.16 2hd3 s VAL 91 N 1.68 2.86 -0.09 1.09 0.11 -1.26 -2.34 120.40 122.45 2hd3 s VAL 91 Ca 0.04 0.08 0.10 0.00 -2.93 0.00 0.00 61.98 59.27 2hd3 s VAL 91 Cb -0.13 -3.05 -0.24 0.00 -1.53 0.00 0.00 36.38 31.43 2hd3 s VAL 91 CO -0.08 -0.00 0.48 2.30 -3.33 0.00 0.00 175.10 174.47 2hd3 n ILE 92 N 5.22 1.60 -3.94 7.04 -5.35 0.16 -4.93 119.36 119.15 2hd3 n ILE 92 Ca 0.19 -0.78 -0.14 0.00 -0.27 0.00 0.00 62.75 61.75 2hd3 n ILE 92 Cb 0.40 -1.07 -0.15 0.00 -1.74 0.00 0.00 39.64 37.08 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 -2.57 0.18 0.02 4.28 2.19 -1.10 -4.98 117.98 116.01 2hd3 s PHE 93 Ca -0.10 -0.00 0.01 0.00 0.33 0.00 0.00 56.93 57.17 2hd3 s PHE 93 Cb 0.07 -0.19 -0.02 0.00 -1.31 0.00 0.00 43.02 41.58 2hd3 s PHE 93 CO 0.81 -0.04 -0.05 -1.58 1.83 0.00 0.00 175.22 176.18 2hd3 s HIS 94 N 0.34 0.47 -0.60 10.12 2.46 -1.26 -0.34 115.29 126.48 2hd3 s HIS 94 Ca -0.03 -0.37 -0.24 0.00 0.47 0.00 0.00 55.06 54.88 2hd3 s HIS 94 Cb -0.05 -0.29 0.05 0.00 -0.13 0.00 0.00 32.58 32.15 2hd3 s HIS 94 CO -0.01 -0.09 1.00 0.21 -2.47 0.00 0.00 174.74 173.38 2hd3 s LYS 95 N -1.10 3.28 0.00 2.88 2.20 0.23 -4.96 119.74 122.27 2hd3 s LYS 95 Ca -0.08 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.17 2hd3 s LYS 95 Cb -0.07 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.14 2hd3 s LYS 95 CO -0.00 -1.64 0.24 1.28 -0.36 0.00 0.00 175.35 174.88