#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 4.25 0.13 -0.35 1.43 -1.26 -0.41 118.68 122.46 2hd3 s LEU 3 Ca 0.00 1.36 -0.21 0.00 -1.03 0.00 0.00 54.13 54.24 2hd3 s LEU 3 Cb 0.00 -3.74 0.06 0.00 0.03 0.00 0.00 46.19 42.54 2hd3 s LEU 3 CO 0.00 -0.05 0.54 0.00 0.23 0.00 0.00 176.35 177.08 2hd3 s ALA 4 N -1.68 -1.41 -0.04 4.21 0.00 -0.61 -1.96 121.76 120.28 2hd3 s ALA 4 Ca 0.47 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2hd3 s ALA 4 Cb -0.14 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2hd3 s ALA 4 CO 0.20 -0.69 -0.02 0.08 0.00 0.00 0.00 175.76 175.33 2hd3 s VAL 5 N -3.52 4.10 -0.09 0.00 1.01 0.16 -1.09 120.40 120.97 2hd3 s VAL 5 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 2hd3 s VAL 5 Cb -0.00 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2hd3 s VAL 5 CO -0.11 0.50 0.96 -0.69 0.00 0.00 0.00 175.10 175.76 2hd3 s VAL 6 N -0.96 4.83 -0.03 2.92 1.01 -0.56 -0.77 120.40 126.84 2hd3 s VAL 6 Ca 0.16 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.10 2hd3 s VAL 6 Cb -0.11 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 2hd3 s VAL 6 CO 0.06 0.05 0.22 0.35 0.00 0.00 0.00 175.10 175.78 2hd3 n THR 7 N 4.41 0.00 0.00 3.92 -2.24 -1.26 -0.65 114.28 118.46 2hd3 n THR 7 Ca 0.07 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2hd3 n THR 7 Cb 0.49 1.00 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 0.61 -0.52 3.21 3.38 0.00 -1.26 -4.98 105.19 105.62 2hd3 n GLY 8 Ca 0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 2hd3 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hd3 s GLN 9 N -2.00 0.92 -0.36 1.61 1.11 -1.26 -4.45 119.66 115.23 2hd3 s GLN 9 Ca 0.00 -1.10 -0.01 0.00 0.01 0.00 0.00 55.36 54.27 2hd3 s GLN 9 Cb 0.00 -0.86 0.09 0.00 -1.01 0.00 0.00 33.01 31.23 2hd3 s GLN 9 CO 0.00 0.18 0.11 0.42 0.01 0.00 0.00 175.29 176.00 2hd3 s ILE 10 N -1.71 2.95 0.00 1.08 1.01 -0.97 -4.96 121.20 118.61 2hd3 s ILE 10 Ca 0.03 -1.92 -0.26 0.00 0.00 0.00 0.00 60.65 58.50 2hd3 s ILE 10 Cb -0.07 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2hd3 s ILE 10 CO 0.02 -0.49 0.82 -0.69 0.00 0.00 0.00 174.94 174.61 2hd3 s VAL 11 N 1.12 4.84 -0.28 2.92 1.01 -1.26 -3.84 120.40 124.91 2hd3 s VAL 11 Ca 0.05 1.73 0.02 0.00 0.00 0.00 0.00 61.98 63.78 2hd3 s VAL 11 Cb -0.21 -4.17 0.17 0.00 0.00 0.00 0.00 36.38 32.17 2hd3 s VAL 11 CO -0.04 0.27 0.46 0.00 0.00 0.00 0.00 175.10 175.79 2hd3 h THR 13 N 6.11 1.09 0.00 0.00 1.35 -1.98 -3.20 112.91 116.29 2hd3 h THR 13 Ca -0.11 -0.24 -0.36 0.00 -0.55 0.00 0.00 66.41 65.16 2hd3 h THR 13 Cb 1.15 1.00 0.01 0.00 -1.73 0.00 0.00 68.15 68.58 2hd3 h THR 13 CO 0.24 0.08 2.45 1.33 -0.25 0.00 0.00 175.52 179.38 2hd3 n VAL 14 N -4.95 2.35 -0.20 6.82 0.24 -1.26 -4.90 118.33 116.43 2hd3 n VAL 14 Ca -0.05 -1.39 -0.14 0.00 -2.04 0.00 0.00 64.34 60.72 2hd3 n VAL 14 Cb 0.07 -2.10 0.14 0.00 -1.47 0.00 0.00 33.84 30.47 2hd3 n VAL 14 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2hd3 n ARG 15 N 4.15 -3.19 -4.46 7.34 3.00 -1.21 -5.05 116.66 117.24 2hd3 n ARG 15 Ca 0.43 -0.71 -0.29 0.00 -0.00 0.00 0.00 57.85 57.27 2hd3 n ARG 15 Cb 0.15 -0.88 -0.17 0.00 0.00 0.00 0.00 32.46 31.56 2hd3 n ARG 15 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2hd3 s HIS 16 N -1.58 2.12 -1.21 -0.14 5.65 -1.26 -4.90 115.29 113.97 2hd3 s HIS 16 Ca 0.32 -1.03 -0.27 0.00 0.25 0.00 0.00 55.06 54.33 2hd3 s HIS 16 Cb -0.05 -1.51 0.02 0.00 -1.18 0.00 0.00 32.58 29.86 2hd3 s HIS 16 CO 0.26 -0.52 0.68 0.72 -0.65 0.00 0.00 174.74 175.23 2hd3 n HIS 17 N 4.22 -1.57 0.00 3.88 8.25 -1.26 -5.02 115.22 123.72 2hd3 n HIS 17 Ca -0.19 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2hd3 n HIS 17 Cb 0.51 -3.05 0.00 0.00 1.12 0.00 0.00 29.99 28.57 2hd3 n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hd3 n ALA 20 N -4.72 0.00 0.10 -1.41 0.00 -1.26 -4.99 120.51 108.23 2hd3 n ALA 20 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2hd3 n ALA 20 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2hd3 n ALA 20 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2hd3 n HIS 21 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -4.74 115.22 109.22 2hd3 n HIS 21 Ca 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 57.72 57.01 2hd3 n HIS 21 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 29.99 29.61 2hd3 n HIS 21 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2hd3 n ASP 22 N 1.14 0.00 -3.64 4.39 4.64 -1.26 -5.09 116.55 116.73 2hd3 n ASP 22 Ca 0.00 0.00 -0.05 0.00 -1.38 0.00 0.00 54.79 53.36 2hd3 n ASP 22 Cb 0.45 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.46 2hd3 n ASP 22 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 2hd3 s LYS 23 N 0.00 0.24 0.34 -0.67 -2.85 -1.26 -4.99 119.74 110.55 2hd3 s LYS 23 Ca 0.00 0.27 0.01 0.00 -1.00 0.00 0.00 55.97 55.24 2hd3 s LYS 23 Cb 0.00 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.85 2hd3 s LYS 23 CO 0.00 -0.03 0.53 -1.17 0.10 0.00 0.00 175.35 174.78 2hd3 s LEU 24 N 0.04 4.04 0.00 2.77 0.20 -1.25 -2.88 118.68 121.60 2hd3 s LEU 24 Ca 0.06 0.43 0.00 0.00 0.69 0.00 0.00 54.13 55.31 2hd3 s LEU 24 Cb -0.05 -3.29 0.00 0.00 -0.43 0.00 0.00 46.19 42.43 2hd3 s LEU 24 CO -0.12 -0.27 0.00 0.18 -0.29 0.00 0.00 176.35 175.85 2hd3 n LEU 25 N -1.72 0.00 0.00 -0.68 4.32 -0.96 -2.30 117.00 115.66 2hd3 n LEU 25 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 2hd3 n LEU 25 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 2hd3 n LEU 25 CO 0.48 0.00 0.00 1.33 -1.22 0.00 0.00 177.39 177.98 2hd3 n VAL 27 N 0.00 0.00 -3.45 4.08 0.24 -0.23 -1.85 118.33 117.12 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 -0.28 0.71 -3.74 7.34 2.13 0.05 -1.70 120.64 125.14 2hd3 n GLU 28 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 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 -1.10 0.01 0.66 6.31 -1.09 -0.83 0.39 121.20 125.55 2hd3 s ILE 30 Ca 0.00 -0.04 -0.07 0.00 -2.23 0.00 0.00 60.65 58.31 2hd3 s ILE 30 Cb 0.00 -0.54 0.03 0.00 -1.58 0.00 0.00 42.46 40.37 2hd3 s ILE 30 CO 0.00 -0.02 0.99 1.51 -1.23 0.00 0.00 174.94 176.18 2hd3 s ASP 31 N 0.05 5.22 0.00 3.58 3.84 -0.83 -4.76 116.67 123.78 2hd3 s ASP 31 Ca -0.01 0.68 0.00 0.00 -0.00 0.00 0.00 52.55 53.22 2hd3 s ASP 31 Cb -0.03 -1.49 0.01 0.00 -1.38 0.00 0.00 42.92 40.03 2hd3 s ASP 31 CO 0.01 -1.35 0.45 -0.81 -0.00 0.00 0.00 175.17 173.47 2hd3 n PRO 32 N -2.81 0.00 0.00 2.11 -0.04 -1.26 -1.78 135.00 131.22 2hd3 n PRO 32 Ca 0.06 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2hd3 n PRO 32 Cb 0.59 -1.44 -0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.94 1.37 -0.00 0.54 1.13 -1.26 -4.99 117.38 113.23 2hd3 n GLN 33 Ca 0.00 -0.98 0.00 0.00 -1.94 0.00 0.00 57.00 54.08 2hd3 n GLN 33 Cb 0.00 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 28.93 2hd3 n GLN 33 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2hd3 n GLY 34 N 1.34 0.51 3.33 1.08 0.00 -0.73 -4.96 105.19 105.76 2hd3 n GLY 34 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2hd3 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hd3 s ASN 35 N -2.99 3.12 0.65 1.61 2.20 -1.26 -4.93 114.94 113.34 2hd3 s ASN 35 Ca 0.00 -0.53 -0.18 0.00 -0.94 0.00 0.00 52.86 51.21 2hd3 s ASN 35 Cb 0.00 -0.32 -0.01 0.00 -2.00 0.00 0.00 41.25 38.92 2hd3 s ASN 35 CO 0.00 0.29 1.28 -2.16 -2.94 0.00 0.00 177.10 173.57 2hd3 s PRO 36 N -0.94 2.56 0.00 3.55 0.04 -1.26 -1.96 135.00 136.99 2hd3 s PRO 36 Ca 0.11 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2hd3 s PRO 36 Cb -0.10 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2hd3 s PRO 36 CO 0.01 -1.58 0.00 -0.40 0.04 0.00 0.00 177.00 175.07 2hd3 n ASP 37 N -1.93 0.00 -0.06 6.66 3.85 -1.26 -4.81 116.55 118.99 2hd3 n ASP 37 Ca 0.15 0.00 -0.12 0.00 -0.71 0.00 0.00 54.79 54.11 2hd3 n ASP 37 Cb 0.48 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 40.11 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 -0.86 3.68 6.12 0.00 -1.26 -4.95 105.19 112.92 2hd3 n GLY 38 Ca 0.00 -0.20 -0.46 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.02 2.29 -4.24 1.61 6.02 -1.26 -5.00 117.38 113.78 2hd3 n GLN 39 Ca -0.29 0.83 -0.16 0.00 -0.01 0.00 0.00 57.00 57.38 2hd3 n GLN 39 Cb 1.08 -2.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.60 2hd3 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hd3 n ALA 41 N 0.13 0.00 -2.44 0.00 0.00 -0.69 -5.01 120.51 112.50 2hd3 n ALA 41 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 2hd3 n ALA 41 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 2hd3 n ALA 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2hd3 s VAL 42 N -2.41 1.35 -0.13 0.00 -7.23 -1.26 -1.07 120.40 109.65 2hd3 s VAL 42 Ca 0.00 -1.82 -0.13 0.00 -1.81 0.00 0.00 61.98 58.21 2hd3 s VAL 42 Cb 0.00 -1.64 0.04 0.00 0.56 0.00 0.00 36.38 35.34 2hd3 s VAL 42 CO 0.00 -0.49 0.37 0.00 -0.31 0.00 0.00 175.10 174.67 2hd3 s ALA 43 N -2.41 -0.92 0.16 1.32 0.00 -0.77 -3.92 121.76 115.22 2hd3 s ALA 43 Ca 0.12 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 2hd3 s ALA 43 Cb -0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 23.12 22.45 2hd3 s ALA 43 CO 0.03 -0.18 1.22 0.42 0.00 0.00 0.00 175.76 177.25 2hd3 s ILE 44 N 0.09 3.60 -0.20 0.00 1.01 -0.67 -2.25 121.20 122.77 2hd3 s ILE 44 Ca -0.01 1.29 -0.00 0.00 0.00 0.00 0.00 60.65 61.93 2hd3 s ILE 44 Cb -0.03 -3.82 0.05 0.00 0.01 0.00 0.00 42.46 38.67 2hd3 s ILE 44 CO 0.01 0.18 -0.04 -0.62 0.00 0.00 0.00 174.94 174.46 2hd3 s ASP 45 N 0.38 3.27 -0.24 3.58 2.15 -1.14 -2.23 116.67 122.44 2hd3 s ASP 45 Ca 0.55 -0.90 0.11 0.00 0.43 0.00 0.00 52.55 52.74 2hd3 s ASP 45 Cb -0.33 -0.99 0.46 0.00 -0.30 0.00 0.00 42.92 41.76 2hd3 s ASP 45 CO 0.35 -0.22 1.34 -0.46 -0.17 0.00 0.00 175.17 176.01 2hd3 n ASN 46 N 4.81 2.23 -0.01 -0.34 0.23 -1.26 -4.18 115.26 116.74 2hd3 n ASN 46 Ca -0.12 -3.73 -0.02 0.00 -0.53 0.00 0.00 54.58 50.18 2hd3 n ASN 46 Cb 0.46 -0.57 -0.01 0.00 -2.08 0.00 0.00 39.78 37.58 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 -1.11 0.15 0.00 1.53 5.41 -1.26 -5.08 119.36 118.99 2hd3 n ILE 47 Ca 0.25 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.99 2hd3 n ILE 47 Cb 0.86 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 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 2.89 0.70 3.67 7.39 0.00 -1.26 -5.12 105.19 113.46 2hd3 n GLY 48 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.10 3.52 0.59 4.61 0.00 -1.26 -5.06 121.76 123.05 2hd3 s ALA 49 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.09 2hd3 s ALA 49 Cb 0.00 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.92 2hd3 s ALA 49 CO 0.00 -0.67 0.81 0.20 0.00 0.00 0.00 175.76 176.10 2hd3 s GLY 50 N 1.15 1.80 0.36 0.00 0.00 -1.26 -5.01 107.32 104.36 2hd3 s GLY 50 Ca 0.40 -1.77 -0.28 0.00 0.00 0.00 0.00 44.72 43.07 2hd3 s GLY 50 CO 0.13 -1.36 1.45 2.41 0.00 0.00 0.00 173.10 175.72 2hd3 n THR 51 N -2.38 1.92 0.00 0.90 -1.04 -1.26 -2.21 114.28 110.20 2hd3 n THR 51 Ca 0.13 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 2hd3 n THR 51 Cb 0.60 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 2hd3 n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hd3 n GLY 52 N 0.67 2.21 3.84 3.41 0.00 0.17 -4.98 105.19 110.51 2hd3 n GLY 52 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.34 4.10 0.02 1.61 2.02 -0.94 -4.79 118.70 120.39 2hd3 s GLU 53 Ca 0.00 0.78 -0.16 0.00 0.02 0.00 0.00 54.97 55.61 2hd3 s GLU 53 Cb 0.00 -2.53 -0.06 0.00 0.10 0.00 0.00 34.13 31.64 2hd3 s GLU 53 CO 0.00 0.20 0.46 -1.58 0.02 0.00 0.00 175.26 174.36 2hd3 s TRP 54 N -1.88 3.75 0.13 1.61 0.52 -1.26 -1.49 118.94 120.32 2hd3 s TRP 54 Ca 0.52 1.08 0.04 0.00 0.02 0.00 0.00 56.10 57.76 2hd3 s TRP 54 Cb -0.12 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.80 2hd3 s TRP 54 CO 0.18 0.62 -0.11 0.14 0.02 0.00 0.00 176.95 177.80 2hd3 s VAL 55 N -1.05 1.14 -0.14 4.03 -7.23 -0.25 -0.72 120.40 116.19 2hd3 s VAL 55 Ca 0.25 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.43 2hd3 s VAL 55 Cb -0.18 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 2hd3 s VAL 55 CO 0.15 -0.67 0.08 -0.22 -0.31 0.00 0.00 175.10 174.14 2hd3 s LEU 56 N -2.93 4.02 0.11 1.32 2.96 -0.63 -1.57 118.68 121.97 2hd3 s LEU 56 Ca 0.13 0.26 0.11 0.00 -0.22 0.00 0.00 54.13 54.41 2hd3 s LEU 56 Cb 0.01 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2hd3 s LEU 56 CO 0.01 0.32 -0.27 -0.76 -1.32 0.00 0.00 176.35 174.33 2hd3 s LEU 57 N -0.48 2.29 0.04 -0.68 1.43 0.45 -1.94 118.68 119.78 2hd3 s LEU 57 Ca 0.11 -0.72 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 2hd3 s LEU 57 Cb -0.12 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 2hd3 s LEU 57 CO 0.02 0.19 -0.17 0.54 0.23 0.00 0.00 176.35 177.16 2hd3 s VAL 58 N -1.01 1.38 0.13 -1.59 0.11 0.67 -1.54 120.40 118.55 2hd3 s VAL 58 Ca 0.13 -1.08 0.10 0.00 -2.93 0.00 0.00 61.98 58.20 2hd3 s VAL 58 Cb -0.10 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 2hd3 s VAL 58 CO 0.05 0.11 -0.20 -0.94 -3.33 0.00 0.00 175.10 170.80 2hd3 s SER 59 N -1.13 3.75 0.00 3.54 1.04 -1.26 -0.98 113.70 118.66 2hd3 s SER 59 Ca 0.05 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2hd3 s SER 59 Cb -0.08 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.58 2hd3 s SER 59 CO 0.01 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2hd3 n GLY 60 N 0.72 0.40 0.17 7.32 0.00 -1.23 -4.62 105.19 107.96 2hd3 n GLY 60 Ca -0.16 -2.23 0.02 0.00 0.00 0.00 0.00 46.02 43.65 2hd3 n GLY 60 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2hd3 h SER 61 N 0.00 0.00 -1.04 1.61 0.87 -1.97 -2.74 113.55 110.28 2hd3 h SER 61 Ca 0.00 0.00 0.27 0.00 -1.23 0.00 0.00 61.79 60.83 2hd3 h SER 61 Cb 0.00 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.86 2hd3 h SER 61 CO 0.00 0.43 0.66 0.28 -0.53 0.00 0.00 176.83 177.67 2hd3 h SER 62 N 0.00 0.47 -0.72 6.23 0.02 -1.95 0.46 113.55 118.05 2hd3 h SER 62 Ca -0.00 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.11 2hd3 h SER 62 Cb 0.77 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.28 2hd3 h SER 62 CO 0.06 0.08 0.48 0.00 -1.14 0.00 0.00 176.83 176.30 2hd3 h ALA 63 N 1.63 1.77 -0.00 3.77 0.00 -1.75 -1.57 119.26 123.10 2hd3 h ALA 63 Ca 0.61 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.31 2hd3 h ALA 63 Cb 1.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2hd3 h ALA 63 CO -0.32 0.10 -0.84 -0.09 0.00 0.00 0.00 179.25 178.09 2hd3 h ARG 64 N 0.69 0.19 0.00 0.00 1.12 -0.26 -3.06 114.38 113.07 2hd3 h ARG 64 Ca 0.32 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 58.99 2hd3 h ARG 64 Cb 0.36 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 2hd3 h ARG 64 CO -0.11 0.93 0.00 1.04 -3.11 0.00 0.00 179.97 178.72 2hd3 n GLN 65 N -3.68 0.14 0.16 0.20 1.13 -0.63 -2.96 117.38 111.74 2hd3 n GLN 65 Ca -0.03 0.31 0.16 0.00 -1.94 0.00 0.00 57.00 55.50 2hd3 n GLN 65 Cb 0.79 -1.74 0.75 0.00 0.11 0.00 0.00 30.24 30.14 2hd3 n GLN 65 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hd3 h ALA 66 N 2.43 2.06 0.00 -1.58 0.00 -1.34 -3.51 119.26 117.31 2hd3 h ALA 66 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hd3 h ALA 66 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2hd3 h ALA 66 CO 0.00 -0.33 0.00 -2.39 0.00 0.00 0.00 179.25 176.53 2hd3 n HIS 67 N -4.14 0.00 -0.93 0.00 1.44 -1.15 -4.99 115.22 105.44 2hd3 n HIS 67 Ca 0.03 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.87 2hd3 n HIS 67 Cb 0.35 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.43 2hd3 n HIS 67 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2hd3 n ASP 75 N -0.45 -5.53 -4.83 4.39 3.85 -1.26 -5.06 116.55 107.66 2hd3 n ASP 75 Ca 0.00 0.38 -0.34 0.00 -0.71 0.00 0.00 54.79 54.12 2hd3 n ASP 75 Cb 0.00 -2.82 -0.06 0.00 -1.35 0.00 0.00 41.12 36.89 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 -5.37 4.17 -0.06 -2.12 1.43 -1.25 -3.47 118.68 112.00 2hd3 s LEU 76 Ca 0.00 1.44 -0.03 0.00 -1.03 0.00 0.00 54.13 54.51 2hd3 s LEU 76 Cb 0.00 -3.96 0.04 0.00 0.03 0.00 0.00 46.19 42.29 2hd3 s LEU 76 CO 0.00 -0.13 0.13 0.00 0.23 0.00 0.00 176.35 176.58 2hd3 s VAL 78 N 1.09 4.71 -1.40 0.00 0.11 -0.95 -0.23 120.40 123.73 2hd3 s VAL 78 Ca -0.09 1.78 0.17 0.00 -2.93 0.00 0.00 61.98 60.91 2hd3 s VAL 78 Cb -0.11 -4.26 -0.03 0.00 -1.53 0.00 0.00 36.38 30.45 2hd3 s VAL 78 CO -0.05 -0.20 0.84 2.30 -3.33 0.00 0.00 175.10 174.66 2hd3 n ILE 79 N 5.41 0.00 -3.59 7.04 -5.35 -0.82 -4.72 119.36 117.34 2hd3 n ILE 79 Ca 0.09 -0.29 -0.05 0.00 -0.27 0.00 0.00 62.75 62.23 2hd3 n ILE 79 Cb 0.47 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.51 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 -2.04 -0.30 -0.07 3.28 0.00 -1.25 -5.00 107.32 101.95 2hd3 s GLY 80 Ca 0.12 1.58 -0.06 0.00 0.00 0.00 0.00 44.72 46.36 2hd3 s GLY 80 CO 0.46 0.54 0.18 -0.42 0.00 0.00 0.00 173.10 173.86 2hd3 s ILE 81 N -2.43 5.43 -0.19 0.90 -1.09 -1.26 -1.60 121.20 120.97 2hd3 s ILE 81 Ca 0.09 0.14 -0.15 0.00 -2.23 0.00 0.00 60.65 58.50 2hd3 s ILE 81 Cb -0.01 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 2hd3 s ILE 81 CO -0.05 0.50 0.35 -0.69 -1.23 0.00 0.00 174.94 173.82 2hd3 s VAL 82 N -1.15 5.25 -0.17 2.92 1.01 0.10 -4.92 120.40 123.44 2hd3 s VAL 82 Ca 0.20 0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.87 2hd3 s VAL 82 Cb -0.13 -3.68 -0.22 0.00 0.00 0.00 0.00 36.38 32.35 2hd3 s VAL 82 CO 0.10 0.31 0.15 0.47 0.00 0.00 0.00 175.10 176.13 2hd3 n ASP 83 N 4.10 1.27 -3.56 3.32 8.00 -1.26 -4.58 116.55 123.84 2hd3 n ASP 83 Ca -0.10 0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.36 2hd3 n ASP 83 Cb 0.51 -0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.50 2hd3 n ASP 83 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2hd3 s GLU 84 N -2.53 0.67 -0.06 -1.24 -1.05 -1.26 -0.20 118.70 113.03 2hd3 s GLU 84 Ca -0.20 0.13 0.03 0.00 -0.15 0.00 0.00 54.97 54.77 2hd3 s GLU 84 Cb 0.07 0.32 0.01 0.00 -0.44 0.00 0.00 34.13 34.09 2hd3 s GLU 84 CO 0.74 -0.22 -0.13 0.08 0.95 0.00 0.00 175.26 176.69 2hd3 s VAL 85 N -1.27 1.14 -0.08 1.83 1.01 -0.09 -4.99 120.40 117.95 2hd3 s VAL 85 Ca -0.02 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2hd3 s VAL 85 Cb -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.35 2hd3 s VAL 85 CO 0.02 0.35 -0.21 -0.69 0.00 0.00 0.00 175.10 174.57 2hd3 s VAL 86 N 0.51 1.78 -0.01 2.92 1.01 -1.26 -1.19 120.40 124.17 2hd3 s VAL 86 Ca -0.12 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.81 2hd3 s VAL 86 Cb -0.14 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.72 2hd3 s VAL 86 CO 0.03 0.50 0.38 -0.55 0.00 0.00 0.00 175.10 175.46 2hd3 s SER 87 N 0.30 -0.27 -1.97 3.32 0.15 0.04 -4.87 113.70 110.39 2hd3 s SER 87 Ca -0.14 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2hd3 s SER 87 Cb -0.16 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2hd3 s SER 87 CO 0.06 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.61 2hd3 n GLY 88 N 1.09 1.29 2.18 9.45 0.00 -1.26 -0.36 105.19 117.58 2hd3 n GLY 88 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.51 0.56 2.99 -0.02 0.00 -1.26 -5.01 105.19 101.94 2hd3 n GLY 89 Ca -0.20 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 2hd3 n GLY 89 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hd3 s GLN 90 N -1.40 0.39 -0.21 1.61 0.74 0.51 -5.12 119.66 116.18 2hd3 s GLN 90 Ca 0.00 -0.44 -0.29 0.00 0.05 0.00 0.00 55.36 54.67 2hd3 s GLN 90 Cb 0.00 -0.24 -0.01 0.00 1.10 0.00 0.00 33.01 33.87 2hd3 s GLN 90 CO 0.00 0.05 1.26 0.08 -0.55 0.00 0.00 175.29 176.13 2hd3 s VAL 91 N -0.79 4.27 -2.11 1.34 1.01 -1.26 -0.78 120.40 122.07 2hd3 s VAL 91 Ca -0.06 1.50 0.20 0.00 0.00 0.00 0.00 61.98 63.63 2hd3 s VAL 91 Cb -0.06 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2hd3 s VAL 91 CO -0.00 -0.25 1.06 2.30 0.00 0.00 0.00 175.10 178.21 2hd3 n ILE 92 N 5.64 0.00 -3.64 2.22 -5.35 -0.33 -4.96 119.36 112.93 2hd3 n ILE 92 Ca 0.14 -0.37 -0.06 0.00 -0.27 0.00 0.00 62.75 62.20 2hd3 n ILE 92 Cb 0.45 1.31 -0.07 0.00 -1.74 0.00 0.00 39.64 39.59 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 -2.07 -0.28 -0.12 4.28 2.19 -1.16 -4.67 117.98 116.15 2hd3 s PHE 93 Ca 0.19 0.67 -0.06 0.00 0.33 0.00 0.00 56.93 58.06 2hd3 s PHE 93 Cb 0.17 0.41 0.05 0.00 -1.31 0.00 0.00 43.02 42.33 2hd3 s PHE 93 CO 0.42 -0.13 0.29 -1.58 1.83 0.00 0.00 175.22 176.04 2hd3 s HIS 94 N 0.20 -0.40 0.49 10.12 2.46 -1.26 -0.91 115.29 125.98 2hd3 s HIS 94 Ca 0.04 0.92 0.25 0.00 0.47 0.00 0.00 55.06 56.74 2hd3 s HIS 94 Cb -0.05 0.11 1.31 0.00 -0.13 0.00 0.00 32.58 33.82 2hd3 s HIS 94 CO -0.11 -0.26 1.91 -0.22 -2.47 0.00 0.00 174.74 173.59 2hd3 h LYS 95 N 7.18 0.15 -1.74 2.88 3.64 -0.86 -0.84 116.57 126.97 2hd3 h LYS 95 Ca -0.40 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 58.79 2hd3 h LYS 95 Cb 1.16 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.87 2hd3 h LYS 95 CO 0.35 0.10 0.22 1.28 -2.27 0.00 0.00 179.45 179.13 2hd3 n LEU 96 N -4.38 5.97 0.00 5.20 4.32 -1.26 -5.15 117.00 121.70 2hd3 n LEU 96 Ca 0.16 -2.92 0.00 0.00 -0.02 0.00 0.00 56.01 53.24 2hd3 n LEU 96 Cb 0.76 -1.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 2hd3 n LEU 96 CO 0.36 1.14 0.00 1.21 -1.22 0.00 0.00 177.39 178.88