#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 3.73 0.13 -5.58 1.43 -1.26 -1.85 118.68 115.28 2hd3 s LEU 3 Ca 0.00 1.89 -0.19 0.00 -1.03 0.00 0.00 54.13 54.80 2hd3 s LEU 3 Cb 0.00 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.72 2hd3 s LEU 3 CO 0.00 -0.91 0.49 0.00 0.23 0.00 0.00 176.35 176.17 2hd3 s ALA 4 N -2.13 -1.24 0.06 4.21 0.00 -0.44 -2.47 121.76 119.75 2hd3 s ALA 4 Ca 0.66 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.88 2hd3 s ALA 4 Cb -0.16 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2hd3 s ALA 4 CO 0.25 -0.68 0.03 0.08 0.00 0.00 0.00 175.76 175.45 2hd3 s VAL 5 N -3.66 4.30 -0.65 0.00 1.01 0.27 0.20 120.40 121.87 2hd3 s VAL 5 Ca 0.01 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 2hd3 s VAL 5 Cb 0.00 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.48 2hd3 s VAL 5 CO -0.12 0.21 0.78 -0.69 0.00 0.00 0.00 175.10 175.28 2hd3 s VAL 6 N -1.27 4.80 0.11 2.92 1.01 -0.29 0.24 120.40 127.92 2hd3 s VAL 6 Ca 0.25 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2hd3 s VAL 6 Cb -0.12 -4.54 -0.24 0.00 0.00 0.00 0.00 36.38 31.49 2hd3 s VAL 6 CO 0.17 -1.20 1.23 0.71 0.00 0.00 0.00 175.10 176.01 2hd3 h THR 7 N 5.85 1.56 -3.12 3.92 1.35 -1.89 0.13 112.91 120.70 2hd3 h THR 7 Ca -0.23 -3.08 -0.02 0.00 -0.55 0.00 0.00 66.41 62.53 2hd3 h THR 7 Cb 1.08 2.82 -0.02 0.00 -1.73 0.00 0.00 68.15 70.30 2hd3 h THR 7 CO 1.09 0.89 0.20 -0.83 -0.25 0.00 0.00 175.52 176.63 2hd3 s GLY 8 N -4.64 0.34 0.18 5.82 0.00 -1.26 -4.85 107.32 102.91 2hd3 s GLY 8 Ca -0.02 -0.70 0.11 0.00 0.00 0.00 0.00 44.72 44.11 2hd3 s GLY 8 CO 0.86 -0.32 -0.24 1.20 0.00 0.00 0.00 173.10 174.60 2hd3 s GLN 9 N -2.89 1.53 -0.09 2.90 -0.21 -1.26 -4.51 119.66 115.13 2hd3 s GLN 9 Ca 0.16 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 54.05 2hd3 s GLN 9 Cb -0.05 -1.87 0.02 0.00 1.00 0.00 0.00 33.01 32.11 2hd3 s GLN 9 CO 0.11 0.41 -0.08 0.42 -2.12 0.00 0.00 175.29 174.03 2hd3 s ILE 10 N -1.60 0.92 -0.17 1.08 1.01 0.00 -5.00 121.20 117.45 2hd3 s ILE 10 Ca 0.20 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 2hd3 s ILE 10 Cb -0.08 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 2hd3 s ILE 10 CO 0.10 0.33 0.07 -0.69 0.00 0.00 0.00 174.94 174.75 2hd3 s VAL 11 N 1.35 4.87 -0.33 2.92 1.01 -1.26 -3.98 120.40 124.98 2hd3 s VAL 11 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 2hd3 s VAL 11 Cb -0.14 -3.17 0.13 0.00 0.00 0.00 0.00 36.38 33.20 2hd3 s VAL 11 CO -0.04 0.49 0.25 0.00 0.00 0.00 0.00 175.10 175.80 2hd3 h THR 13 N 5.58 0.53 -2.53 0.00 2.02 -2.02 -3.34 112.91 113.15 2hd3 h THR 13 Ca -0.04 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.55 2hd3 h THR 13 Cb 1.02 0.53 -0.12 0.00 -1.74 0.00 0.00 68.15 67.84 2hd3 h THR 13 CO 0.30 0.00 0.75 -0.69 0.37 0.00 0.00 175.52 176.25 2hd3 s VAL 14 N -6.10 4.09 0.17 3.16 1.01 -1.26 -4.98 120.40 116.49 2hd3 s VAL 14 Ca -0.16 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2hd3 s VAL 14 Cb 0.04 -4.78 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 2hd3 s VAL 14 CO 0.63 -1.62 -0.03 0.00 0.00 0.00 0.00 175.10 174.09 2hd3 s ARG 15 N 4.70 1.11 0.23 2.72 1.70 -1.26 -5.12 118.95 123.04 2hd3 s ARG 15 Ca 0.27 -1.52 -0.31 0.00 -0.47 0.00 0.00 55.73 53.70 2hd3 s ARG 15 Cb -0.13 -0.41 -0.11 0.00 -0.57 0.00 0.00 34.95 33.73 2hd3 s ARG 15 CO 0.12 -0.06 1.57 -1.58 -1.08 0.00 0.00 175.30 174.27 2hd3 s HIS 16 N -3.53 2.93 0.32 5.89 5.65 -1.26 -4.87 115.29 120.43 2hd3 s HIS 16 Ca 0.22 0.71 0.10 0.00 0.25 0.00 0.00 55.06 56.35 2hd3 s HIS 16 Cb 0.05 -3.98 0.95 0.00 -1.18 0.00 0.00 32.58 28.42 2hd3 s HIS 16 CO 0.03 -3.45 1.67 1.25 -0.65 0.00 0.00 174.74 173.59 2hd3 h HIS 17 N 5.82 0.79 0.00 3.88 2.76 -2.00 0.11 115.15 126.51 2hd3 h HIS 17 Ca -0.45 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 2hd3 h HIS 17 Cb 1.21 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2hd3 h HIS 17 CO 0.62 -0.15 0.11 0.41 -1.30 0.00 0.00 177.93 177.62 2hd3 n GLY 18 N -1.32 -0.36 0.09 5.26 0.00 -1.26 -0.81 105.19 106.80 2hd3 n GLY 18 Ca 0.28 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.35 1.00 0.00 0.99 4.77 0.37 -4.80 117.00 117.97 2hd3 n LEU 19 Ca 0.00 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2hd3 n LEU 19 Cb 0.11 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2hd3 n LEU 19 CO 0.00 0.23 0.00 0.00 -1.33 0.00 0.00 177.39 176.29 2hd3 n ALA 20 N -1.21 0.00 -0.80 -1.18 0.00 0.01 -2.48 120.51 114.85 2hd3 n ALA 20 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.58 2hd3 n ALA 20 Cb 0.35 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.97 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 14.00 0.41 -0.52 0.00 1.44 -1.26 -4.99 115.22 124.30 2hd3 n HIS 21 Ca 0.00 -0.83 -0.29 0.00 -2.01 0.00 0.00 57.72 54.59 2hd3 n HIS 21 Cb 0.00 -0.18 0.26 0.00 0.12 0.00 0.00 29.99 30.19 2hd3 n HIS 21 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2hd3 s ASP 22 N -2.06 0.37 -0.10 4.39 1.11 -1.03 -5.03 116.67 114.32 2hd3 s ASP 22 Ca 0.31 1.30 -0.02 0.00 0.18 0.00 0.00 52.55 54.32 2hd3 s ASP 22 Cb 0.25 -1.98 -0.03 0.00 1.07 0.00 0.00 42.92 42.22 2hd3 s ASP 22 CO 0.06 -4.54 -0.03 -0.54 1.18 0.00 0.00 175.17 171.30 2hd3 s LYS 23 N -4.63 3.08 -0.61 8.23 3.01 -0.96 -5.00 119.74 122.86 2hd3 s LYS 23 Ca 0.69 -0.47 -0.16 0.00 -1.01 0.00 0.00 55.97 55.02 2hd3 s LYS 23 Cb -0.22 -2.77 0.15 0.00 -1.01 0.00 0.00 37.83 33.98 2hd3 s LYS 23 CO 0.63 0.59 0.58 -0.51 0.51 0.00 0.00 175.35 177.14 2hd3 s LEU 24 N -0.57 6.23 0.00 3.17 1.43 -1.26 -1.60 118.68 126.09 2hd3 s LEU 24 Ca 0.09 -1.95 0.00 0.00 -1.03 0.00 0.00 54.13 51.24 2hd3 s LEU 24 Cb -0.12 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.88 2hd3 s LEU 24 CO 0.02 -0.82 0.00 0.18 0.23 0.00 0.00 176.35 175.96 2hd3 n LEU 25 N 5.09 0.00 -3.59 1.79 4.32 0.80 -0.82 117.00 124.59 2hd3 n LEU 25 Ca -0.08 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 55.93 2hd3 n LEU 25 Cb 0.42 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.21 2hd3 n LEU 25 CO 0.50 0.00 1.20 0.68 -1.22 0.00 0.00 177.39 178.55 2hd3 s VAL 27 N 2.02 0.00 0.00 4.08 -7.23 -0.02 0.06 120.40 119.31 2hd3 s VAL 27 Ca 0.00 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2hd3 s VAL 27 Cb 0.00 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2hd3 s VAL 27 CO 0.00 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.00 2hd3 n GLU 28 N -0.30 0.80 -3.67 4.82 2.13 0.14 -2.01 120.64 122.54 2hd3 n GLU 28 Ca -0.04 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.64 2hd3 n GLU 28 Cb 0.61 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.24 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 -0.11 0.00 0.63 6.31 1.01 -1.03 -0.56 121.20 127.44 2hd3 s ILE 30 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 2hd3 s ILE 30 Cb 0.00 -0.82 0.05 0.00 0.01 0.00 0.00 42.46 41.70 2hd3 s ILE 30 CO 0.00 -0.01 0.89 1.51 0.00 0.00 0.00 174.94 177.33 2hd3 s ASP 31 N 0.17 5.01 0.60 3.58 3.84 -0.23 -4.80 116.67 124.85 2hd3 s ASP 31 Ca -0.01 0.14 0.29 0.00 -0.00 0.00 0.00 52.55 52.97 2hd3 s ASP 31 Cb -0.04 -0.88 1.58 0.00 -1.38 0.00 0.00 42.92 42.20 2hd3 s ASP 31 CO 0.01 -1.39 1.99 1.55 -0.00 0.00 0.00 175.17 177.34 2hd3 h PRO 32 N -0.24 0.00 -0.00 2.11 0.13 -2.02 0.21 132.00 132.18 2hd3 h PRO 32 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2hd3 h PRO 32 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2hd3 h PRO 32 CO 0.54 0.00 -0.00 1.04 -0.23 0.00 0.00 178.00 179.35 2hd3 n GLN 33 N -3.64 1.00 -1.86 0.86 3.00 -1.26 -4.88 117.38 110.61 2hd3 n GLN 33 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2hd3 n GLN 33 Cb 0.48 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.22 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 1.01 0.37 3.38 1.08 0.00 0.73 -4.98 105.19 106.79 2hd3 n GLY 34 Ca 0.24 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.00 3.66 -0.09 1.61 0.01 -1.24 -4.88 114.94 111.00 2hd3 s ASN 35 Ca 0.00 -0.34 -0.29 0.00 -0.71 0.00 0.00 52.86 51.52 2hd3 s ASN 35 Cb 0.00 -0.95 -0.05 0.00 0.41 0.00 0.00 41.25 40.66 2hd3 s ASN 35 CO 0.00 0.28 1.64 -2.16 -1.51 0.00 0.00 177.10 175.35 2hd3 s PRO 36 N -0.34 4.10 0.00 -0.60 0.04 -1.26 -1.06 135.00 135.88 2hd3 s PRO 36 Ca 0.03 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2hd3 s PRO 36 Cb -0.12 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2hd3 s PRO 36 CO 0.02 -0.94 0.00 -3.47 0.04 0.00 0.00 177.00 172.66 2hd3 n ASP 37 N 7.41 0.00 -0.00 6.66 -0.08 -1.26 -4.95 116.55 124.33 2hd3 n ASP 37 Ca 0.18 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.32 2hd3 n ASP 37 Cb 0.43 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.75 2hd3 n ASP 37 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2hd3 h GLY 38 N 0.00 0.13 -6.97 0.27 0.00 -1.99 -3.46 103.07 91.05 2hd3 h GLY 38 Ca 0.00 -0.34 -0.66 0.00 0.00 0.00 0.00 47.33 46.33 2hd3 h GLY 38 CO 0.00 0.29 1.42 -1.06 0.00 0.00 0.00 176.54 177.19 2hd3 n GLN 39 N -3.24 1.16 -4.34 4.80 1.13 -1.26 -4.92 117.38 110.71 2hd3 n GLN 39 Ca -0.22 0.32 -0.24 0.00 -1.94 0.00 0.00 57.00 54.92 2hd3 n GLN 39 Cb 1.05 -2.52 -0.08 0.00 0.11 0.00 0.00 30.24 28.79 2hd3 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hd3 s ALA 41 N -2.46 -2.06 0.12 0.00 0.00 -0.85 -5.02 121.76 111.50 2hd3 s ALA 41 Ca 0.33 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.91 2hd3 s ALA 41 Cb -0.03 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2hd3 s ALA 41 CO 0.19 -1.02 0.22 0.08 0.00 0.00 0.00 175.76 175.23 2hd3 s VAL 42 N -2.68 5.12 -0.08 0.00 1.01 -1.26 -0.84 120.40 121.67 2hd3 s VAL 42 Ca 0.13 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 2hd3 s VAL 42 Cb 0.03 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.88 2hd3 s VAL 42 CO -0.02 -0.02 0.58 0.00 0.00 0.00 0.00 175.10 175.63 2hd3 s ALA 43 N -1.66 -1.49 0.15 5.51 0.00 0.11 -4.80 121.76 119.59 2hd3 s ALA 43 Ca 0.34 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 53.31 2hd3 s ALA 43 Cb -0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 23.12 22.76 2hd3 s ALA 43 CO 0.27 -0.33 0.56 -1.50 0.00 0.00 0.00 175.76 174.76 2hd3 s ILE 44 N -0.92 4.83 -0.09 0.00 1.10 -0.67 -0.14 121.20 125.30 2hd3 s ILE 44 Ca -0.09 0.86 -0.05 0.00 -0.51 0.00 0.00 60.65 60.87 2hd3 s ILE 44 Cb -0.02 -3.74 0.04 0.00 0.15 0.00 0.00 42.46 38.89 2hd3 s ILE 44 CO 0.07 0.24 0.22 -0.62 -2.11 0.00 0.00 174.94 172.74 2hd3 s ASP 45 N -1.71 -0.18 -0.01 4.50 2.15 -0.63 -1.70 116.67 119.09 2hd3 s ASP 45 Ca 0.38 0.46 0.05 0.00 0.43 0.00 0.00 52.55 53.88 2hd3 s ASP 45 Cb -0.15 0.35 -0.08 0.00 -0.30 0.00 0.00 42.92 42.74 2hd3 s ASP 45 CO 0.19 -0.17 0.11 -0.46 -0.17 0.00 0.00 175.17 174.68 2hd3 n ASN 46 N 4.28 3.81 -0.05 -0.34 6.94 -1.26 -2.26 115.26 126.37 2hd3 n ASN 46 Ca -0.25 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.17 2hd3 n ASN 46 Cb 0.52 1.23 -0.07 0.00 -2.36 0.00 0.00 39.78 39.11 2hd3 n ASN 46 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2hd3 h ILE 47 N 0.00 1.35 0.00 1.53 2.04 -1.95 -3.49 117.51 116.99 2hd3 h ILE 47 Ca -0.00 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.29 2hd3 h ILE 47 Cb 0.24 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2hd3 h ILE 47 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.23 2hd3 n GLY 48 N 0.41 1.66 2.96 5.37 0.00 -1.26 -5.14 105.19 109.19 2hd3 n GLY 48 Ca -0.06 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 -0.38 1.01 4.61 0.00 -1.26 -5.02 121.76 120.71 2hd3 s ALA 49 Ca 0.00 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 2hd3 s ALA 49 Cb 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.45 2hd3 s ALA 49 CO 0.00 -0.34 0.04 0.41 0.00 0.00 0.00 175.76 175.87 2hd3 n GLY 50 N 4.64 -2.10 3.88 0.00 0.00 -1.26 -4.99 105.19 105.36 2hd3 n GLY 50 Ca -0.18 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 2hd3 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hd3 s THR 51 N -1.07 4.76 0.00 2.61 2.01 -1.26 -3.71 115.64 118.98 2hd3 s THR 51 Ca 0.02 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.69 2hd3 s THR 51 Cb -0.00 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2hd3 s THR 51 CO 0.02 -0.86 0.00 0.61 -0.69 0.00 0.00 174.62 173.70 2hd3 n GLY 52 N -2.12 2.14 3.73 4.40 0.00 0.03 -4.95 105.19 108.43 2hd3 n GLY 52 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 2.09 -0.14 1.61 2.02 -1.24 -4.60 118.70 118.45 2hd3 s GLU 53 Ca 0.00 1.49 -0.06 0.00 0.02 0.00 0.00 54.97 56.42 2hd3 s GLU 53 Cb 0.00 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 2hd3 s GLU 53 CO 0.00 -1.81 0.07 -1.58 0.02 0.00 0.00 175.26 171.96 2hd3 s TRP 54 N -2.42 3.33 0.27 1.61 0.52 -1.26 -1.13 118.94 119.85 2hd3 s TRP 54 Ca 0.68 0.25 0.03 0.00 0.02 0.00 0.00 56.10 57.07 2hd3 s TRP 54 Cb -0.23 -1.96 -0.05 0.00 -1.15 0.00 0.00 33.47 30.07 2hd3 s TRP 54 CO 0.49 0.41 0.06 0.14 0.02 0.00 0.00 176.95 178.07 2hd3 s VAL 55 N -0.37 0.86 -0.14 4.03 -7.23 0.13 -1.12 120.40 116.55 2hd3 s VAL 55 Ca 0.09 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 2hd3 s VAL 55 Cb -0.12 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2hd3 s VAL 55 CO 0.02 -0.10 -0.04 -0.76 -0.31 0.00 0.00 175.10 173.91 2hd3 s LEU 56 N -3.36 3.25 0.09 1.32 1.43 -0.60 -1.32 118.68 119.49 2hd3 s LEU 56 Ca 0.35 -0.11 0.09 0.00 -1.03 0.00 0.00 54.13 53.42 2hd3 s LEU 56 Cb 0.07 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2hd3 s LEU 56 CO 0.13 0.20 -0.20 -0.76 0.23 0.00 0.00 176.35 175.95 2hd3 s LEU 57 N 0.17 2.59 0.01 1.79 1.43 -0.77 0.27 118.68 124.17 2hd3 s LEU 57 Ca -0.02 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 2hd3 s LEU 57 Cb -0.14 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2hd3 s LEU 57 CO 0.03 0.21 -0.12 0.54 0.23 0.00 0.00 176.35 177.24 2hd3 s VAL 58 N -1.05 0.92 0.00 -1.59 0.11 -1.04 -2.55 120.40 115.20 2hd3 s VAL 58 Ca 0.16 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2hd3 s VAL 58 Cb -0.10 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 2hd3 s VAL 58 CO 0.08 0.16 0.00 -1.54 -3.33 0.00 0.00 175.10 170.46 2hd3 n SER 59 N 2.52 1.62 0.00 3.54 3.41 -1.26 -3.08 113.62 120.37 2hd3 n SER 59 Ca -0.15 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 2hd3 n SER 59 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2hd3 n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hd3 n GLY 60 N 5.00 0.63 0.23 5.00 0.00 -1.23 -3.01 105.19 111.81 2hd3 n GLY 60 Ca 0.00 -0.87 0.09 0.00 0.00 0.00 0.00 46.02 45.24 2hd3 n GLY 60 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hd3 h SER 61 N 1.35 0.00 0.12 1.61 0.02 -1.98 -1.93 113.55 112.75 2hd3 h SER 61 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hd3 h SER 61 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hd3 h SER 61 CO 0.00 0.20 0.00 -0.24 -1.14 0.00 0.00 176.83 175.65 2hd3 n SER 62 N -3.81 0.00 -0.08 3.07 2.88 -1.20 -2.92 113.62 111.56 2hd3 n SER 62 Ca -0.02 -0.05 -0.14 0.00 -1.33 0.00 0.00 58.87 57.34 2hd3 n SER 62 Cb 0.30 -0.18 -0.08 0.00 -0.75 0.00 0.00 64.21 63.50 2hd3 n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hd3 h ALA 63 N 2.58 0.12 -0.74 -1.46 0.00 -1.25 -3.29 119.26 115.22 2hd3 h ALA 63 Ca 0.00 -0.75 0.13 0.00 0.00 0.00 0.00 54.91 54.28 2hd3 h ALA 63 Cb 0.06 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 2hd3 h ALA 63 CO 0.00 0.41 0.32 0.00 0.00 0.00 0.00 179.25 179.98 2hd3 h ARG 64 N -1.00 0.48 -0.94 0.00 -0.00 -1.69 0.29 114.38 111.51 2hd3 h ARG 64 Ca -0.15 -0.03 0.05 0.00 -0.50 0.00 0.00 59.98 59.35 2hd3 h ARG 64 Cb 0.91 -0.11 -0.06 0.00 0.00 0.00 0.00 29.97 30.72 2hd3 h ARG 64 CO -0.09 0.32 0.61 1.96 0.00 0.00 0.00 179.97 182.77 2hd3 h GLN 65 N 0.49 1.09 0.00 0.04 1.08 -1.74 0.06 115.11 116.13 2hd3 h GLN 65 Ca 0.39 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 2hd3 h GLN 65 Cb 0.54 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2hd3 h GLN 65 CO -0.36 0.72 0.00 0.00 -0.95 0.00 0.00 178.83 178.25 2hd3 n ALA 66 N -2.39 1.48 -0.04 3.87 0.00 0.07 -3.64 120.51 119.87 2hd3 n ALA 66 Ca 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.52 2hd3 n ALA 66 Cb 0.15 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 2hd3 n ALA 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2hd3 n HIS 67 N -1.60 0.22 0.13 0.00 -0.00 -0.03 -5.01 115.22 108.94 2hd3 n HIS 67 Ca 0.02 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 2hd3 n HIS 67 Cb 0.13 -0.38 0.00 0.00 -0.00 0.00 0.00 29.99 29.74 2hd3 n HIS 67 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hd3 n LYS 68 N -3.51 0.00 0.01 1.57 4.76 -1.00 -5.06 118.16 114.92 2hd3 n LYS 68 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2hd3 n LYS 68 Cb 0.21 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.40 2hd3 n LYS 68 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2hd3 n SER 69 N -3.09 -0.01 -1.81 4.39 7.64 -1.22 -4.90 113.62 114.61 2hd3 n SER 69 Ca 0.00 0.04 -0.04 0.00 1.01 0.00 0.00 58.87 59.88 2hd3 n SER 69 Cb 0.00 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 2hd3 n SER 69 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2hd3 n PRO 73 N -2.61 1.10 -0.21 1.43 -0.04 -1.26 -4.48 135.00 128.92 2hd3 n PRO 73 Ca 0.00 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 2hd3 n PRO 73 Cb 0.03 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2hd3 n PRO 73 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2hd3 n VAL 74 N 2.02 0.00 -0.17 0.52 0.24 -1.26 -5.05 118.33 114.62 2hd3 n VAL 74 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 2hd3 n VAL 74 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 2hd3 n VAL 74 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2hd3 n ASP 75 N -0.18 0.00 -3.44 -1.34 5.68 -1.26 -4.87 116.55 111.14 2hd3 n ASP 75 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 2hd3 n ASP 75 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 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 -1.05 0.07 -2.12 2.96 -1.26 -3.57 118.68 113.71 2hd3 s LEU 76 Ca 0.00 1.02 -0.00 0.00 -0.22 0.00 0.00 54.13 54.93 2hd3 s LEU 76 Cb 0.00 1.89 -0.04 0.00 0.50 0.00 0.00 46.19 48.54 2hd3 s LEU 76 CO 0.00 -0.25 -0.04 0.00 -1.32 0.00 0.00 176.35 174.74 2hd3 s VAL 78 N -3.82 4.08 0.00 0.00 -7.23 -0.69 -2.51 120.40 110.24 2hd3 s VAL 78 Ca 0.09 1.75 0.00 0.00 -1.81 0.00 0.00 61.98 62.02 2hd3 s VAL 78 Cb 0.07 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2hd3 s VAL 78 CO -0.08 0.16 0.60 2.30 -0.31 0.00 0.00 175.10 177.78 2hd3 n ILE 79 N 0.58 0.28 0.00 -0.62 -5.35 0.14 -4.83 119.36 109.56 2hd3 n ILE 79 Ca 0.02 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 2hd3 n ILE 79 Cb 0.49 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.33 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 -0.14 1.64 3.50 3.28 0.00 -1.25 -4.93 105.19 107.29 2hd3 n GLY 80 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.99 5.16 0.07 -0.61 1.09 -1.26 -1.56 121.20 122.10 2hd3 s ILE 81 Ca 0.00 -0.28 -0.31 0.00 -1.10 0.00 0.00 60.65 58.96 2hd3 s ILE 81 Cb 0.00 -3.93 -0.08 0.00 -1.06 0.00 0.00 42.46 37.39 2hd3 s ILE 81 CO 0.00 -0.27 1.63 -0.69 -0.10 0.00 0.00 174.94 175.51 2hd3 s VAL 82 N 1.98 3.07 -0.08 2.92 1.01 -0.28 -4.91 120.40 124.12 2hd3 s VAL 82 Ca 0.10 0.53 0.10 0.00 0.00 0.00 0.00 61.98 62.71 2hd3 s VAL 82 Cb -0.17 -3.34 -0.24 0.00 0.00 0.00 0.00 36.38 32.63 2hd3 s VAL 82 CO 0.12 -0.00 0.50 0.47 0.00 0.00 0.00 175.10 176.19 2hd3 n ASP 83 N 5.54 0.95 -3.53 3.32 9.92 -1.26 -4.63 116.55 126.86 2hd3 n ASP 83 Ca 0.16 0.31 -0.09 0.00 -0.53 0.00 0.00 54.79 54.63 2hd3 n ASP 83 Cb 0.41 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 40.83 2hd3 n ASP 83 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2hd3 s GLU 84 N -2.57 0.74 -0.02 -1.24 -1.05 -1.26 0.45 118.70 113.75 2hd3 s GLU 84 Ca -0.09 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 2hd3 s GLU 84 Cb 0.07 0.35 0.02 0.00 -0.44 0.00 0.00 34.13 34.13 2hd3 s GLU 84 CO 0.81 -0.30 0.02 0.08 0.95 0.00 0.00 175.26 176.83 2hd3 s VAL 85 N -2.42 -0.04 -0.07 1.83 1.01 -0.15 -4.97 120.40 115.60 2hd3 s VAL 85 Ca 0.02 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.22 2hd3 s VAL 85 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.29 2hd3 s VAL 85 CO -0.05 0.08 -0.18 0.68 0.00 0.00 0.00 175.10 175.62 2hd3 s VAL 86 N 0.88 1.58 -0.02 2.92 -7.23 -1.26 -1.02 120.40 116.26 2hd3 s VAL 86 Ca -0.07 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 2hd3 s VAL 86 Cb -0.11 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.47 2hd3 s VAL 86 CO -0.02 0.45 0.00 -0.55 -0.31 0.00 0.00 175.10 174.67 2hd3 s SER 87 N 0.26 0.23 -1.34 4.85 0.15 -0.13 -4.86 113.70 112.86 2hd3 s SER 87 Ca -0.11 -0.01 -0.00 0.00 0.70 0.00 0.00 55.95 56.54 2hd3 s SER 87 Cb -0.15 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2hd3 s SER 87 CO 0.05 -0.07 0.61 0.61 1.20 0.00 0.00 173.24 175.63 2hd3 n GLY 88 N 3.79 -0.27 3.67 9.45 0.00 -1.26 -2.21 105.19 118.36 2hd3 n GLY 88 Ca -0.22 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.71 -0.74 3.64 -0.02 0.00 -1.26 -4.99 105.19 100.11 2hd3 n GLY 89 Ca -0.31 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.85 0.45 -0.40 1.61 0.74 -0.94 -5.12 119.66 110.16 2hd3 s GLN 90 Ca 0.30 0.77 -0.29 0.00 0.05 0.00 0.00 55.36 56.19 2hd3 s GLN 90 Cb -0.09 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.13 2hd3 s GLN 90 CO 0.84 -0.09 1.29 0.08 -0.55 0.00 0.00 175.29 176.85 2hd3 s VAL 91 N 1.34 4.08 -0.52 1.34 1.01 -1.26 -0.95 120.40 125.44 2hd3 s VAL 91 Ca -0.09 1.14 0.22 0.00 0.00 0.00 0.00 61.98 63.26 2hd3 s VAL 91 Cb -0.04 -4.32 -0.16 0.00 0.00 0.00 0.00 36.38 31.86 2hd3 s VAL 91 CO -0.15 -0.75 0.91 2.30 0.00 0.00 0.00 175.10 177.41 2hd3 n ILE 92 N 6.74 0.15 -3.67 2.22 -5.35 -0.19 -4.96 119.36 114.29 2hd3 n ILE 92 Ca 0.15 -0.28 -0.14 0.00 -0.27 0.00 0.00 62.75 62.20 2hd3 n ILE 92 Cb 0.48 0.23 -0.08 0.00 -1.74 0.00 0.00 39.64 38.52 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 -3.25 -0.52 -0.26 4.28 2.19 -1.15 -4.91 117.98 114.36 2hd3 s PHE 93 Ca 0.02 1.15 -0.10 0.00 0.33 0.00 0.00 56.93 58.32 2hd3 s PHE 93 Cb 0.14 0.22 0.10 0.00 -1.31 0.00 0.00 43.02 42.18 2hd3 s PHE 93 CO 0.83 -0.37 0.58 -1.58 1.83 0.00 0.00 175.22 176.51 2hd3 s HIS 94 N -0.32 -1.09 0.38 10.12 2.46 -1.26 -0.98 115.29 124.59 2hd3 s HIS 94 Ca -0.05 2.00 0.19 0.00 0.47 0.00 0.00 55.06 57.67 2hd3 s HIS 94 Cb -0.03 0.60 1.15 0.00 -0.13 0.00 0.00 32.58 34.16 2hd3 s HIS 94 CO 0.03 -0.57 1.70 0.87 -2.47 0.00 0.00 174.74 174.30 2hd3 h LYS 95 N 7.80 0.31 -0.82 2.88 1.79 -0.27 0.37 116.57 128.64 2hd3 h LYS 95 Ca -0.21 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.21 2hd3 h LYS 95 Cb 1.13 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 2hd3 h LYS 95 CO 0.13 0.21 0.03 1.28 -1.08 0.00 0.00 179.45 180.03 2hd3 n LEU 96 N -4.81 3.49 -0.88 2.94 4.77 -1.26 -5.15 117.00 116.10 2hd3 n LEU 96 Ca 0.30 -1.78 0.11 0.00 -0.03 0.00 0.00 56.01 54.62 2hd3 n LEU 96 Cb 1.02 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 41.60 2hd3 n LEU 96 CO 0.18 0.47 0.60 1.21 -1.33 0.00 0.00 177.39 178.52