#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 4.50 0.19 -0.35 2.96 -1.26 0.37 118.68 125.09 2hd3 s LEU 3 Ca 0.00 1.25 -0.20 0.00 -0.22 0.00 0.00 54.13 54.96 2hd3 s LEU 3 Cb 0.00 -2.92 0.04 0.00 0.50 0.00 0.00 46.19 43.81 2hd3 s LEU 3 CO 0.00 0.23 0.57 0.00 -1.32 0.00 0.00 176.35 175.83 2hd3 s ALA 4 N -0.89 -1.22 -0.06 5.97 0.00 -0.92 -2.95 121.76 121.69 2hd3 s ALA 4 Ca 0.30 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.32 2hd3 s ALA 4 Cb -0.19 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 2hd3 s ALA 4 CO 0.19 -0.82 -0.14 0.08 0.00 0.00 0.00 175.76 175.07 2hd3 s VAL 5 N -3.83 3.12 0.03 0.00 1.01 -0.74 0.11 120.40 120.09 2hd3 s VAL 5 Ca 0.06 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 2hd3 s VAL 5 Cb -0.02 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2hd3 s VAL 5 CO -0.05 0.59 1.05 -0.69 0.00 0.00 0.00 175.10 175.99 2hd3 s VAL 6 N -0.65 4.56 -0.28 2.92 1.01 -0.96 -1.56 120.40 125.44 2hd3 s VAL 6 Ca 0.10 1.86 0.05 0.00 0.00 0.00 0.00 61.98 63.99 2hd3 s VAL 6 Cb -0.11 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2hd3 s VAL 6 CO 0.01 0.16 0.25 0.35 0.00 0.00 0.00 175.10 175.87 2hd3 n THR 7 N 3.80 0.00 -3.35 3.92 -2.24 -1.26 -1.05 114.28 114.10 2hd3 n THR 7 Ca 0.07 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2hd3 n THR 7 Cb 0.49 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 1.07 -0.92 3.14 3.38 0.00 -1.26 -4.95 105.19 105.65 2hd3 n GLY 8 Ca 0.01 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.70 0.64 0.05 1.61 0.00 -1.26 -4.52 119.66 115.48 2hd3 s GLN 9 Ca 0.00 -0.74 0.09 0.00 -0.00 0.00 0.00 55.36 54.71 2hd3 s GLN 9 Cb 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 33.01 33.24 2hd3 s GLN 9 CO 0.00 -0.17 -0.24 0.42 0.00 0.00 0.00 175.29 175.30 2hd3 s ILE 10 N -2.70 1.94 -0.26 3.63 1.01 0.35 -4.97 121.20 120.19 2hd3 s ILE 10 Ca -0.04 -1.33 -0.01 0.00 0.00 0.00 0.00 60.65 59.26 2hd3 s ILE 10 Cb -0.01 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.83 2hd3 s ILE 10 CO -0.05 0.28 -0.05 -0.69 0.00 0.00 0.00 174.94 174.43 2hd3 s VAL 11 N -0.82 2.79 -0.45 2.92 1.01 -1.26 -3.97 120.40 120.62 2hd3 s VAL 11 Ca 0.10 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 2hd3 s VAL 11 Cb -0.09 -2.50 0.12 0.00 0.00 0.00 0.00 36.38 33.91 2hd3 s VAL 11 CO 0.02 0.08 0.23 0.00 0.00 0.00 0.00 175.10 175.44 2hd3 h THR 13 N 6.15 0.21 -3.43 0.00 2.02 -2.04 -3.37 112.91 112.46 2hd3 h THR 13 Ca -0.10 -0.15 -0.61 0.00 0.77 0.00 0.00 66.41 66.32 2hd3 h THR 13 Cb 1.02 0.24 -0.12 0.00 -1.74 0.00 0.00 68.15 67.55 2hd3 h THR 13 CO 0.68 0.01 0.51 -0.69 0.37 0.00 0.00 175.52 176.40 2hd3 s VAL 14 N -5.51 4.48 0.20 3.16 1.01 -1.26 -4.99 120.40 117.49 2hd3 s VAL 14 Ca -0.17 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2hd3 s VAL 14 Cb 0.02 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2hd3 s VAL 14 CO 0.55 -0.94 0.11 0.00 0.00 0.00 0.00 175.10 174.83 2hd3 s ARG 15 N 3.72 1.19 0.12 2.72 1.70 -1.26 -5.12 118.95 122.01 2hd3 s ARG 15 Ca 0.32 -1.62 -0.31 0.00 -0.47 0.00 0.00 55.73 53.65 2hd3 s ARG 15 Cb -0.12 0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 34.36 2hd3 s ARG 15 CO 0.22 -0.36 1.54 -1.58 -1.08 0.00 0.00 175.30 174.04 2hd3 s HIS 16 N -4.09 2.95 0.50 5.89 5.65 -1.26 -4.87 115.29 120.06 2hd3 s HIS 16 Ca 0.37 0.64 0.35 0.00 0.25 0.00 0.00 55.06 56.67 2hd3 s HIS 16 Cb 0.07 -3.87 1.48 0.00 -1.18 0.00 0.00 32.58 29.09 2hd3 s HIS 16 CO 0.11 -3.24 1.71 0.45 -0.65 0.00 0.00 174.74 173.11 2hd3 h HIS 17 N 7.19 0.24 0.00 3.88 -0.00 -1.97 0.25 115.15 124.75 2hd3 h HIS 17 Ca -0.42 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 2hd3 h HIS 17 Cb 1.20 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 2hd3 h HIS 17 CO 0.69 -0.04 0.00 0.41 -0.00 0.00 0.00 177.93 178.99 2hd3 n GLY 18 N -1.69 -0.51 0.03 2.45 0.00 -1.26 -2.57 105.19 101.63 2hd3 n GLY 18 Ca 0.32 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.68 0.44 0.00 0.99 4.77 0.88 -4.02 117.00 119.38 2hd3 n LEU 19 Ca 0.04 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2hd3 n LEU 19 Cb 0.02 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2hd3 n LEU 19 CO 0.03 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.12 2hd3 n ALA 20 N -2.01 0.00 -2.42 -1.18 0.00 -1.06 -3.11 120.51 110.73 2hd3 n ALA 20 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 2hd3 n ALA 20 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 2.14 -3.04 0.00 -0.00 -1.26 -5.05 115.22 122.00 2hd3 n HIS 21 Ca 0.00 -2.32 -0.31 0.00 -0.00 0.00 0.00 57.72 55.10 2hd3 n HIS 21 Cb 0.00 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.99 29.67 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 -3.64 6.57 0.39 0.41 1.01 -1.18 -5.06 116.67 115.17 2hd3 s ASP 22 Ca 0.40 1.07 -0.24 0.00 0.71 0.00 0.00 52.55 54.49 2hd3 s ASP 22 Cb 0.38 -2.29 -0.09 0.00 1.01 0.00 0.00 42.92 41.92 2hd3 s ASP 22 CO -0.01 -0.30 1.02 -0.75 0.21 0.00 0.00 175.17 175.34 2hd3 s LYS 23 N -3.54 4.25 -0.40 8.23 2.20 -1.26 -4.93 119.74 124.29 2hd3 s LYS 23 Ca 0.50 1.42 -0.10 0.00 -0.36 0.00 0.00 55.97 57.44 2hd3 s LYS 23 Cb -0.10 -2.54 0.06 0.00 -1.51 0.00 0.00 37.83 33.74 2hd3 s LYS 23 CO 0.27 -0.05 0.23 -0.51 -0.36 0.00 0.00 175.35 174.94 2hd3 s LEU 24 N -2.61 4.95 0.00 5.43 1.43 -1.25 -2.34 118.68 124.29 2hd3 s LEU 24 Ca 0.57 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 2hd3 s LEU 24 Cb -0.20 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2hd3 s LEU 24 CO 0.25 -0.47 0.00 0.18 0.23 0.00 0.00 176.35 176.54 2hd3 n LEU 25 N 4.95 0.00 0.00 1.79 4.32 0.06 0.13 117.00 128.25 2hd3 n LEU 25 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 2hd3 n LEU 25 Cb 0.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 2hd3 n LEU 25 CO 0.38 0.00 0.00 1.33 -1.22 0.00 0.00 177.39 177.88 2hd3 n VAL 27 N 0.00 0.00 -1.52 4.08 0.24 0.15 -0.33 118.33 120.95 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 -0.37 1.77 0.00 7.34 2.13 -0.60 -0.59 120.64 130.32 2hd3 n GLU 28 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hd3 n GLU 28 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2hd3 n GLU 28 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2hd3 n ILE 30 N 0.00 0.00 -2.56 6.31 -6.64 -1.15 -1.79 119.36 113.52 2hd3 n ILE 30 Ca 0.00 0.00 -0.25 0.00 -1.77 0.00 0.00 62.75 60.73 2hd3 n ILE 30 Cb 0.00 0.00 0.03 0.00 -1.44 0.00 0.00 39.64 38.23 2hd3 n ILE 30 CO 0.00 0.00 0.00 1.51 -1.77 0.00 0.00 176.55 176.29 2hd3 s ASP 31 N 0.00 5.61 0.00 7.28 3.84 -0.40 -4.58 116.67 128.42 2hd3 s ASP 31 Ca 0.00 0.55 0.00 0.00 -0.00 0.00 0.00 52.55 53.10 2hd3 s ASP 31 Cb 0.00 -1.59 0.00 0.00 -1.38 0.00 0.00 42.92 39.95 2hd3 s ASP 31 CO 0.00 -0.99 0.73 -0.81 -0.00 0.00 0.00 175.17 174.10 2hd3 n PRO 32 N -2.45 0.00 0.00 2.11 -0.04 -1.26 0.81 135.00 134.18 2hd3 n PRO 32 Ca 0.04 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 2hd3 n PRO 32 Cb 0.58 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.23 0.02 -0.27 0.54 3.00 -1.26 -4.89 117.38 113.28 2hd3 n GLN 33 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2hd3 n GLN 33 Cb 0.06 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.80 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 1.49 0.86 3.67 1.08 0.00 0.24 -5.07 105.19 107.46 2hd3 n GLY 34 Ca 0.04 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.02 6.69 0.45 1.61 0.01 -1.25 -4.77 114.94 115.66 2hd3 s ASN 35 Ca 0.00 0.84 -0.23 0.00 -0.71 0.00 0.00 52.86 52.76 2hd3 s ASN 35 Cb 0.00 -2.34 -0.08 0.00 0.41 0.00 0.00 41.25 39.24 2hd3 s ASN 35 CO 0.00 -0.24 1.16 -2.16 -1.51 0.00 0.00 177.10 174.35 2hd3 s PRO 36 N 1.74 3.79 0.00 -0.60 0.04 -1.26 -1.27 135.00 137.44 2hd3 s PRO 36 Ca 0.29 1.77 0.23 0.00 0.04 0.00 0.00 61.00 63.32 2hd3 s PRO 36 Cb -0.16 -2.43 0.02 0.00 0.04 0.00 0.00 34.50 31.98 2hd3 s PRO 36 CO 0.11 -0.52 1.11 -0.25 0.04 0.00 0.00 177.00 177.49 2hd3 n ASP 37 N -0.43 2.20 0.00 6.66 9.92 -1.26 -4.93 116.55 128.70 2hd3 n ASP 37 Ca 0.07 -1.60 0.00 0.00 -0.53 0.00 0.00 54.79 52.73 2hd3 n ASP 37 Cb 0.48 0.39 0.00 0.00 -0.64 0.00 0.00 41.12 41.35 2hd3 n ASP 37 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hd3 n GLY 38 N 1.40 0.62 3.58 0.44 0.00 -1.26 -5.05 105.19 104.93 2hd3 n GLY 38 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2hd3 n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hd3 s GLN 39 N -0.79 3.83 0.20 1.61 -1.52 -1.26 -5.06 119.66 116.67 2hd3 s GLN 39 Ca 0.00 0.05 0.10 0.00 -1.95 0.00 0.00 55.36 53.56 2hd3 s GLN 39 Cb 0.00 -3.74 -0.04 0.00 -0.22 0.00 0.00 33.01 29.01 2hd3 s GLN 39 CO 0.00 -0.51 -0.13 0.00 -0.25 0.00 0.00 175.29 174.40 2hd3 s ALA 41 N -1.80 -1.85 0.01 0.00 0.00 0.24 -5.00 121.76 113.37 2hd3 s ALA 41 Ca 0.25 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.52 2hd3 s ALA 41 Cb -0.08 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2hd3 s ALA 41 CO 0.14 -1.05 0.06 0.08 0.00 0.00 0.00 175.76 175.00 2hd3 s VAL 42 N -2.97 4.57 0.03 0.00 1.01 -1.26 0.32 120.40 122.10 2hd3 s VAL 42 Ca 0.13 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2hd3 s VAL 42 Cb 0.01 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2hd3 s VAL 42 CO 0.00 0.31 0.07 0.00 0.00 0.00 0.00 175.10 175.48 2hd3 s ALA 43 N -1.21 -0.02 -0.12 5.51 0.00 0.55 -4.65 121.76 121.81 2hd3 s ALA 43 Ca 0.24 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.36 2hd3 s ALA 43 Cb -0.12 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 2hd3 s ALA 43 CO 0.15 -0.29 0.85 0.42 0.00 0.00 0.00 175.76 176.89 2hd3 s ILE 44 N -2.44 4.90 -0.24 0.00 -1.09 -0.60 -0.76 121.20 120.96 2hd3 s ILE 44 Ca -0.06 1.70 -0.16 0.00 -2.23 0.00 0.00 60.65 59.90 2hd3 s ILE 44 Cb -0.02 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 2hd3 s ILE 44 CO -0.04 0.08 0.43 -0.62 -1.23 0.00 0.00 174.94 173.57 2hd3 s ASP 45 N 1.06 6.38 -0.19 3.58 2.15 -0.99 -1.84 116.67 126.82 2hd3 s ASP 45 Ca 0.41 0.45 0.17 0.00 0.43 0.00 0.00 52.55 54.01 2hd3 s ASP 45 Cb -0.18 -2.24 0.46 0.00 -0.30 0.00 0.00 42.92 40.66 2hd3 s ASP 45 CO 0.16 -0.19 1.17 -3.20 -0.17 0.00 0.00 175.17 172.94 2hd3 n ASN 46 N 5.14 2.30 0.00 -0.34 4.05 -1.26 -4.18 115.26 120.97 2hd3 n ASN 46 Ca -0.07 -2.85 0.00 0.00 0.45 0.00 0.00 54.58 52.12 2hd3 n ASN 46 Cb 0.50 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.10 2hd3 n ASN 46 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2hd3 n ILE 47 N -0.47 0.00 -1.86 -1.44 -5.35 -1.26 -5.03 119.36 103.95 2hd3 n ILE 47 Ca 0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.67 2hd3 n ILE 47 Cb 0.91 0.72 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 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 0.00 0.93 3.76 3.28 0.00 -1.26 -5.04 105.19 106.85 2hd3 n GLY 48 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.63 2.63 0.36 4.61 0.00 -1.26 -5.04 121.76 120.43 2hd3 s ALA 49 Ca 0.00 1.01 0.09 0.00 0.00 0.00 0.00 51.96 53.06 2hd3 s ALA 49 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 2hd3 s ALA 49 CO 0.00 -1.08 -0.05 0.20 0.00 0.00 0.00 175.76 174.83 2hd3 s GLY 50 N -1.53 2.25 0.15 0.00 0.00 -1.26 -5.08 107.32 101.86 2hd3 s GLY 50 Ca 0.75 -2.12 -0.31 0.00 0.00 0.00 0.00 44.72 43.03 2hd3 s GLY 50 CO 0.34 -2.02 1.66 -1.08 0.00 0.00 0.00 173.10 171.99 2hd3 s THR 51 N -2.62 2.53 0.00 0.90 -1.32 -1.26 -2.04 115.64 111.83 2hd3 s THR 51 Ca 0.34 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 2hd3 s THR 51 Cb 0.04 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 2hd3 s THR 51 CO 0.17 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 2hd3 n GLY 52 N 3.91 3.34 3.70 6.08 0.00 -0.22 -4.98 105.19 117.02 2hd3 n GLY 52 Ca 0.15 0.00 -0.42 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 -0.95 4.51 0.34 1.61 2.02 -0.87 -4.68 118.70 120.67 2hd3 s GLU 53 Ca 0.00 1.41 -0.28 0.00 0.02 0.00 0.00 54.97 56.13 2hd3 s GLU 53 Cb 0.00 -3.49 -0.09 0.00 0.10 0.00 0.00 34.13 30.65 2hd3 s GLU 53 CO 0.00 -0.15 1.19 -1.58 0.02 0.00 0.00 175.26 174.73 2hd3 s TRP 54 N 1.39 3.24 0.06 1.61 0.52 -1.26 -2.28 118.94 122.22 2hd3 s TRP 54 Ca 0.51 1.56 0.01 0.00 0.02 0.00 0.00 56.10 58.20 2hd3 s TRP 54 Cb -0.20 -3.44 -0.00 0.00 -1.15 0.00 0.00 33.47 28.67 2hd3 s TRP 54 CO 0.24 -1.21 0.04 1.33 0.02 0.00 0.00 176.95 177.38 2hd3 n VAL 55 N 0.68 0.00 -4.25 4.03 0.24 0.29 -1.57 118.33 117.75 2hd3 n VAL 55 Ca 0.01 -0.40 -0.27 0.00 -2.04 0.00 0.00 64.34 61.64 2hd3 n VAL 55 Cb 0.44 0.19 -0.17 0.00 -1.47 0.00 0.00 33.84 32.84 2hd3 n VAL 55 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2hd3 s LEU 56 N 0.00 1.48 0.23 1.34 1.02 -0.36 -2.17 118.68 120.23 2hd3 s LEU 56 Ca 0.06 -0.34 0.06 0.00 0.02 0.00 0.00 54.13 53.93 2hd3 s LEU 56 Cb 0.00 -0.91 -0.03 0.00 0.02 0.00 0.00 46.19 45.27 2hd3 s LEU 56 CO 0.04 -0.04 0.27 -0.76 0.02 0.00 0.00 176.35 175.88 2hd3 s LEU 57 N 1.20 4.06 0.20 1.79 1.02 0.16 0.54 118.68 127.65 2hd3 s LEU 57 Ca -0.04 -0.08 -0.06 0.00 0.02 0.00 0.00 54.13 53.98 2hd3 s LEU 57 Cb -0.14 -2.61 -0.02 0.00 0.02 0.00 0.00 46.19 43.44 2hd3 s LEU 57 CO -0.03 -0.04 0.25 0.54 0.02 0.00 0.00 176.35 177.09 2hd3 s VAL 58 N -2.02 0.02 0.28 -1.59 0.11 -0.60 -1.94 120.40 114.65 2hd3 s VAL 58 Ca 0.33 -1.73 -0.21 0.00 -2.93 0.00 0.00 61.98 57.44 2hd3 s VAL 58 Cb -0.09 -2.28 0.02 0.00 -1.53 0.00 0.00 36.38 32.50 2hd3 s VAL 58 CO 0.27 -0.08 0.72 -0.94 -3.33 0.00 0.00 175.10 171.74 2hd3 s SER 59 N -3.08 -0.26 0.07 3.54 1.04 -1.26 -1.36 113.70 112.39 2hd3 s SER 59 Ca 0.30 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2hd3 s SER 59 Cb 0.04 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.89 2hd3 s SER 59 CO 0.09 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.58 2hd3 n GLY 60 N -0.46 -0.23 0.32 7.32 0.00 -1.21 -3.44 105.19 107.49 2hd3 n GLY 60 Ca -0.04 -1.06 0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 8.18 0.00 1.60 1.61 4.64 -1.95 0.22 113.55 127.84 2hd3 h SER 61 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 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 0.00 -0.40 -1.28 -0.87 0.00 0.00 176.83 174.28 2hd3 h SER 62 N 0.00 0.00 0.48 4.97 0.87 -1.99 -3.11 113.55 114.77 2hd3 h SER 62 Ca 0.06 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 2hd3 h SER 62 Cb 0.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2hd3 h SER 62 CO -0.00 0.37 -0.17 0.00 -0.53 0.00 0.00 176.83 176.50 2hd3 h ALA 63 N 1.63 1.24 -2.02 6.23 0.00 -0.58 -3.24 119.26 122.52 2hd3 h ALA 63 Ca -0.01 -0.16 -0.75 0.00 0.00 0.00 0.00 54.91 53.99 2hd3 h ALA 63 Cb 1.29 -0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.73 2hd3 h ALA 63 CO 0.05 0.22 0.38 0.54 0.00 0.00 0.00 179.25 180.44 2hd3 n ARG 64 N -3.65 3.89 0.00 0.00 3.00 -1.17 -4.76 116.66 113.97 2hd3 n ARG 64 Ca -0.01 -4.59 0.00 0.00 -0.01 0.00 0.00 57.85 53.24 2hd3 n ARG 64 Cb 0.30 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.32 2hd3 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hd3 n GLN 65 N 1.23 0.35 0.00 5.56 -0.00 -1.22 -5.00 117.38 118.28 2hd3 n GLN 65 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.27 2hd3 n GLN 65 Cb 0.35 -1.20 0.00 0.00 -0.00 0.00 0.00 30.24 29.40 2hd3 n GLN 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2hd3 n THR 71 N 0.40 0.00 -3.32 -0.39 -1.04 -1.26 -5.18 114.28 103.49 2hd3 n THR 71 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 2hd3 n THR 71 Cb 0.10 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.52 2hd3 n THR 71 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2hd3 s SER 72 N -0.60 6.26 0.00 8.00 0.15 -1.26 -4.07 113.70 122.18 2hd3 s SER 72 Ca 0.00 -0.04 0.11 0.00 0.70 0.00 0.00 55.95 56.72 2hd3 s SER 72 Cb 0.00 -2.24 0.51 0.00 -1.71 0.00 0.00 66.02 62.58 2hd3 s SER 72 CO 0.00 -0.38 1.35 -0.81 1.20 0.00 0.00 173.24 174.60 2hd3 n PRO 73 N 5.55 1.31 -1.70 5.44 -0.04 -1.26 -4.93 135.00 139.37 2hd3 n PRO 73 Ca -0.07 -0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 62.49 2hd3 n PRO 73 Cb 0.49 -1.21 -0.00 0.00 -0.04 0.00 0.00 33.50 32.74 2hd3 n PRO 73 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2hd3 n VAL 74 N -0.20 2.17 0.00 0.52 0.31 -1.26 -4.92 118.33 114.95 2hd3 n VAL 74 Ca 0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2hd3 n VAL 74 Cb 0.14 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 2hd3 n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2hd3 n ASP 75 N 0.58 3.36 -4.01 4.52 -0.08 -1.26 -4.71 116.55 114.94 2hd3 n ASP 75 Ca 0.05 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.07 2hd3 n ASP 75 Cb 0.37 0.21 -0.17 0.00 2.34 0.00 0.00 41.12 43.87 2hd3 n ASP 75 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2hd3 s LEU 76 N -3.76 1.59 -0.05 -2.67 2.96 -1.26 -3.34 118.68 112.15 2hd3 s LEU 76 Ca 0.00 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2hd3 s LEU 76 Cb 0.00 -0.88 0.03 0.00 0.50 0.00 0.00 46.19 45.84 2hd3 s LEU 76 CO 0.00 0.01 -0.01 0.00 -1.32 0.00 0.00 176.35 175.03 2hd3 s VAL 78 N 1.42 3.78 -0.19 0.00 0.11 -0.77 -1.56 120.40 123.20 2hd3 s VAL 78 Ca -0.04 1.34 0.09 0.00 -2.93 0.00 0.00 61.98 60.44 2hd3 s VAL 78 Cb -0.13 -3.86 -0.18 0.00 -1.53 0.00 0.00 36.38 30.69 2hd3 s VAL 78 CO -0.03 0.14 -0.06 2.30 -3.33 0.00 0.00 175.10 174.12 2hd3 n ILE 79 N 3.51 1.20 -3.56 7.04 -6.64 0.19 -4.22 119.36 116.87 2hd3 n ILE 79 Ca 0.08 -0.60 -0.11 0.00 -1.77 0.00 0.00 62.75 60.35 2hd3 n ILE 79 Cb 0.45 -0.89 -0.05 0.00 -1.44 0.00 0.00 39.64 37.71 2hd3 n ILE 79 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 2hd3 s GLY 80 N -5.56 -0.34 0.25 3.28 0.00 -1.24 -4.92 107.32 98.80 2hd3 s GLY 80 Ca -0.18 1.81 -0.30 0.00 0.00 0.00 0.00 44.72 46.04 2hd3 s GLY 80 CO 0.60 0.94 0.99 -0.42 0.00 0.00 0.00 173.10 175.20 2hd3 s ILE 81 N -1.36 3.89 -0.26 0.90 1.01 -1.26 -1.22 121.20 122.90 2hd3 s ILE 81 Ca -0.02 1.91 -0.26 0.00 0.00 0.00 0.00 60.65 62.27 2hd3 s ILE 81 Cb -0.00 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2hd3 s ILE 81 CO 0.02 0.45 0.93 -0.69 0.00 0.00 0.00 174.94 175.65 2hd3 s VAL 82 N -1.15 4.73 0.06 2.92 1.01 -0.61 -4.93 120.40 122.42 2hd3 s VAL 82 Ca 0.42 1.69 -0.17 0.00 0.00 0.00 0.00 61.98 63.91 2hd3 s VAL 82 Cb -0.28 -4.23 -0.15 0.00 0.00 0.00 0.00 36.38 31.72 2hd3 s VAL 82 CO 0.35 -0.19 1.29 0.44 0.00 0.00 0.00 175.10 176.99 2hd3 h ASP 83 N 7.73 0.62 -5.35 3.32 3.32 -1.94 -3.42 116.42 120.69 2hd3 h ASP 83 Ca -0.22 -0.58 0.24 0.00 0.02 0.00 0.00 57.03 56.50 2hd3 h ASP 83 Cb 1.08 -0.18 -0.11 0.00 0.22 0.00 0.00 39.33 40.34 2hd3 h ASP 83 CO 0.93 1.08 0.66 -1.83 -1.72 0.00 0.00 179.24 178.37 2hd3 s GLU 84 N -3.93 0.75 0.00 3.56 -1.05 -1.26 -0.92 118.70 115.85 2hd3 s GLU 84 Ca -0.13 -0.39 0.04 0.00 -0.15 0.00 0.00 54.97 54.33 2hd3 s GLU 84 Cb 0.06 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 34.01 2hd3 s GLU 84 CO 0.82 -0.34 -0.11 0.08 0.95 0.00 0.00 175.26 176.65 2hd3 s VAL 85 N -2.83 0.89 -0.05 1.83 1.01 0.11 -4.96 120.40 116.40 2hd3 s VAL 85 Ca 0.12 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 2hd3 s VAL 85 Cb 0.01 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.65 2hd3 s VAL 85 CO -0.02 0.16 -0.01 0.54 0.00 0.00 0.00 175.10 175.77 2hd3 s VAL 86 N -0.43 0.32 0.00 2.92 0.11 -1.26 -0.83 120.40 121.23 2hd3 s VAL 86 Ca 0.03 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2hd3 s VAL 86 Cb -0.05 -0.42 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 2hd3 s VAL 86 CO -0.00 0.21 0.00 -0.24 -3.33 0.00 0.00 175.10 171.74 2hd3 n SER 87 N 4.52 0.00 -2.39 3.54 2.88 -0.65 -4.80 113.62 116.73 2hd3 n SER 87 Ca -0.18 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.20 2hd3 n SER 87 Cb 0.50 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.85 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 3.86 2.98 3.92 0.46 0.00 -1.26 -4.46 105.19 110.69 2hd3 n GLY 88 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 2.86 1.23 3.55 -0.02 0.00 -1.26 -4.94 105.19 106.61 2hd3 n GLY 89 Ca 0.44 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.11 1.98 -0.25 1.61 -2.07 -1.26 -5.09 119.66 114.47 2hd3 s GLN 90 Ca 0.00 -1.28 -0.29 0.00 -1.82 0.00 0.00 55.36 51.97 2hd3 s GLN 90 Cb 0.00 -2.13 0.00 0.00 -1.09 0.00 0.00 33.01 29.80 2hd3 s GLN 90 CO 0.00 0.44 1.18 0.08 -1.32 0.00 0.00 175.29 175.67 2hd3 s VAL 91 N -1.65 4.38 -0.12 3.63 1.01 -1.26 -1.63 120.40 124.76 2hd3 s VAL 91 Ca 0.24 1.63 0.17 0.00 0.00 0.00 0.00 61.98 64.02 2hd3 s VAL 91 Cb -0.09 -4.21 -0.18 0.00 0.00 0.00 0.00 36.38 31.91 2hd3 s VAL 91 CO 0.14 -0.32 0.68 2.30 0.00 0.00 0.00 175.10 177.91 2hd3 n ILE 92 N 5.70 1.16 -3.88 2.22 -5.35 -0.01 -4.89 119.36 114.31 2hd3 n ILE 92 Ca 0.13 -0.71 -0.16 0.00 -0.27 0.00 0.00 62.75 61.75 2hd3 n ILE 92 Cb 0.46 -0.67 -0.16 0.00 -1.74 0.00 0.00 39.64 37.53 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 -2.88 0.19 0.30 4.28 2.19 -1.17 -4.96 117.98 115.93 2hd3 s PHE 93 Ca -0.04 0.04 0.09 0.00 0.33 0.00 0.00 56.93 57.35 2hd3 s PHE 93 Cb 0.09 -0.31 -0.06 0.00 -1.31 0.00 0.00 43.02 41.43 2hd3 s PHE 93 CO 0.82 -0.10 -0.12 -1.58 1.83 0.00 0.00 175.22 176.08 2hd3 s HIS 94 N 0.89 2.21 -1.06 10.12 2.46 -1.26 0.06 115.29 128.71 2hd3 s HIS 94 Ca -0.08 -0.51 0.23 0.00 0.47 0.00 0.00 55.06 55.16 2hd3 s HIS 94 Cb -0.12 -1.17 0.12 0.00 -0.13 0.00 0.00 32.58 31.28 2hd3 s HIS 94 CO -0.02 0.53 1.15 1.17 -2.47 0.00 0.00 174.74 175.09 2hd3 n LYS 95 N -0.67 0.07 0.00 2.88 4.81 -0.10 -4.88 118.16 120.29 2hd3 n LYS 95 Ca -0.05 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 2hd3 n LYS 95 Cb 0.62 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.17 2hd3 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85