#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi9 s ARG 19 N 0.00 4.59 0.00 1.61 0.52 -1.26 -4.78 118.95 119.63 3hi9 s ARG 19 Ca 0.00 1.72 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 3hi9 s ARG 19 Cb 0.00 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.19 3hi9 s ARG 19 CO 0.00 0.06 0.00 0.25 0.02 0.00 0.00 175.30 175.63 3hi9 n THR 20 N 2.46 0.00 -3.23 0.02 -2.24 -1.26 -4.38 114.28 105.66 3hi9 n THR 20 Ca 0.03 -0.21 -0.39 0.00 -2.27 0.00 0.00 64.05 61.21 3hi9 n THR 20 Cb 0.46 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 3hi9 n THR 20 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hi9 s ASN 21 N -0.81 6.60 0.08 3.42 2.47 -1.26 -1.37 114.94 124.07 3hi9 s ASN 21 Ca 0.00 0.73 0.07 0.00 0.42 0.00 0.00 52.86 54.08 3hi9 s ASN 21 Cb 0.00 -2.30 -0.04 0.00 -1.45 0.00 0.00 41.25 37.46 3hi9 s ASN 21 CO 0.00 -0.18 -0.14 -0.76 -3.72 0.00 0.00 177.10 172.30 3hi9 s LEU 22 N 1.56 2.85 -0.10 3.21 1.43 0.18 -0.92 118.68 126.89 3hi9 s LEU 22 Ca 0.25 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 3hi9 s LEU 22 Cb -0.15 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3hi9 s LEU 22 CO 0.10 0.21 -0.01 -0.51 0.23 0.00 0.00 176.35 176.37 3hi9 s ILE 23 N -1.09 4.17 -0.19 -0.59 2.07 -0.10 -1.35 121.20 124.11 3hi9 s ILE 23 Ca 0.18 -0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 3hi9 s ILE 23 Cb -0.11 -2.76 0.02 0.00 0.13 0.00 0.00 42.46 39.73 3hi9 s ILE 23 CO 0.10 0.58 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.85 3hi9 s VAL 24 N -0.59 2.35 0.17 4.00 1.01 0.24 -2.04 120.40 125.54 3hi9 s VAL 24 Ca 0.10 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3hi9 s VAL 24 Cb -0.12 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3hi9 s VAL 24 CO 0.02 0.48 0.03 0.20 0.00 0.00 0.00 175.10 175.83 3hi9 s ASN 25 N 1.32 4.92 -0.51 3.32 0.01 0.28 -1.28 114.94 122.99 3hi9 s ASN 25 Ca 0.04 -0.34 -0.03 0.00 -0.71 0.00 0.00 52.86 51.82 3hi9 s ASN 25 Cb -0.14 -1.10 0.00 0.00 0.41 0.00 0.00 41.25 40.43 3hi9 s ASN 25 CO -0.10 0.09 0.45 -1.22 -1.51 0.00 0.00 177.10 174.80 3hi9 n TYR 26 N -0.15 -1.07 -2.61 2.20 4.01 -0.63 -1.54 117.16 117.37 3hi9 n TYR 26 Ca -0.09 0.39 -0.34 0.00 -0.16 0.00 0.00 57.90 57.69 3hi9 n TYR 26 Cb 0.55 -2.66 -0.04 0.00 -0.31 0.00 0.00 39.34 36.88 3hi9 n TYR 26 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hi9 s LEU 27 N -3.47 3.93 0.52 7.72 1.43 -0.47 -4.40 118.68 123.94 3hi9 s LEU 27 Ca 0.19 1.90 -0.22 0.00 -1.03 0.00 0.00 54.13 54.97 3hi9 s LEU 27 Cb -0.08 -4.48 -0.07 0.00 0.03 0.00 0.00 46.19 41.59 3hi9 s LEU 27 CO 0.28 -0.63 1.12 -2.65 0.23 0.00 0.00 176.35 174.70 3hi9 n PRO 28 N -0.70 1.34 0.24 1.29 -0.02 -1.26 -4.63 135.00 131.26 3hi9 n PRO 28 Ca 0.08 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 62.14 3hi9 n PRO 28 Cb 0.52 -2.28 0.63 0.00 -0.02 0.00 0.00 33.50 32.36 3hi9 n PRO 28 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3hi9 h GLN 29 N 1.18 0.03 -0.02 -0.52 5.75 -1.95 -2.46 115.11 117.12 3hi9 h GLN 29 Ca -0.48 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3hi9 h GLN 29 Cb 1.33 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.88 3hi9 h GLN 29 CO 0.55 0.02 -0.01 0.27 -2.65 0.00 0.00 178.83 177.01 3hi9 n ASN 30 N -4.53 2.35 -4.71 -0.69 6.94 -1.26 -4.56 115.26 108.80 3hi9 n ASN 30 Ca -0.02 -1.78 -0.42 0.00 -0.02 0.00 0.00 54.58 52.34 3hi9 n ASN 30 Cb 0.11 0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.50 3hi9 n ASN 30 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 3hi9 s MET 31 N -2.01 4.37 0.62 -3.83 1.75 -0.93 -5.01 119.30 114.26 3hi9 s MET 31 Ca 0.32 1.94 -0.04 0.00 -1.25 0.00 0.00 55.69 56.66 3hi9 s MET 31 Cb 0.20 -3.30 0.04 0.00 2.84 0.00 0.00 34.83 34.61 3hi9 s MET 31 CO 0.32 -0.36 0.90 0.95 -0.65 0.00 0.00 175.02 176.18 3hi9 s THR 32 N 1.12 2.79 0.24 10.11 -4.23 -1.26 -4.94 115.64 119.47 3hi9 s THR 32 Ca 0.62 -0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.78 3hi9 s THR 32 Cb -0.34 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 70.43 3hi9 s THR 32 CO 0.30 -0.12 1.67 -0.61 -0.54 0.00 0.00 174.62 175.32 3hi9 h GLN 33 N -0.26 0.67 -0.48 3.99 4.15 -1.95 -1.40 115.11 119.83 3hi9 h GLN 33 Ca -0.44 -0.26 -0.08 0.00 0.77 0.00 0.00 58.65 58.65 3hi9 h GLN 33 Cb 1.29 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 3hi9 h GLN 33 CO 0.58 0.83 -0.01 0.22 -1.93 0.00 0.00 178.83 178.52 3hi9 h ASP 34 N 0.59 0.78 -0.39 -0.69 1.82 -1.95 -0.77 116.42 115.80 3hi9 h ASP 34 Ca 0.09 -0.20 -0.09 0.00 -0.39 0.00 0.00 57.03 56.44 3hi9 h ASP 34 Cb 0.69 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 3hi9 h ASP 34 CO 0.05 0.85 -0.07 -0.33 -1.61 0.00 0.00 179.24 178.14 3hi9 h GLU 35 N 0.75 0.82 0.22 0.28 5.08 -1.83 0.53 114.58 120.43 3hi9 h GLU 35 Ca 0.14 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3hi9 h GLU 35 Cb 0.48 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3hi9 h GLU 35 CO 0.02 0.87 -0.10 1.25 -1.00 0.00 0.00 179.01 180.04 3hi9 h LEU 36 N 0.75 -0.25 -0.63 1.33 5.85 -1.00 -0.46 115.31 120.90 3hi9 h LEU 36 Ca 0.13 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3hi9 h LEU 36 Cb 0.55 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 3hi9 h LEU 36 CO 0.03 -0.02 0.29 -0.09 -0.34 0.00 0.00 178.44 178.31 3hi9 h ARG 37 N -0.47 0.49 -0.34 1.25 2.43 -1.05 -2.46 114.38 114.24 3hi9 h ARG 37 Ca -0.03 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hi9 h ARG 37 Cb 0.36 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3hi9 h ARG 37 CO 0.05 0.33 0.20 0.77 -1.51 0.00 0.00 179.97 179.81 3hi9 h SER 38 N 0.51 0.34 -0.54 -3.80 0.02 -0.64 0.28 113.55 109.72 3hi9 h SER 38 Ca 0.31 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.34 3hi9 h SER 38 Cb 0.32 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.73 3hi9 h SER 38 CO -0.26 0.24 0.19 0.25 -1.14 0.00 0.00 176.83 176.11 3hi9 h LEU 39 N 0.42 0.19 -0.52 5.07 5.85 -0.72 -2.30 115.31 123.29 3hi9 h LEU 39 Ca 0.13 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 3hi9 h LEU 39 Cb -0.01 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3hi9 h LEU 39 CO -0.05 0.13 -0.59 -0.26 -0.34 0.00 0.00 178.44 177.32 3hi9 h PHE 40 N 0.37 0.00 0.00 1.25 -1.00 -1.19 -2.99 116.94 113.37 3hi9 h PHE 40 Ca 0.26 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.04 3hi9 h PHE 40 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 3hi9 h PHE 40 CO -0.17 0.59 0.00 0.77 -1.61 0.00 0.00 178.31 177.89 3hi9 h SER 41 N 0.00 0.00 0.63 2.17 0.02 -0.39 -2.44 113.55 113.55 3hi9 h SER 41 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3hi9 h SER 41 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3hi9 h SER 41 CO 0.08 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.23 3hi9 n SER 42 N -2.44 0.64 -0.07 3.07 3.41 -1.03 -3.22 113.62 113.98 3hi9 n SER 42 Ca 0.01 0.67 -0.19 0.00 -0.26 0.00 0.00 58.87 59.10 3hi9 n SER 42 Cb 0.19 -0.80 -0.13 0.00 -0.26 0.00 0.00 64.21 63.21 3hi9 n SER 42 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3hi9 n ILE 43 N -2.22 1.61 -0.78 -1.33 2.08 -0.92 -5.08 119.36 112.72 3hi9 n ILE 43 Ca 0.02 -0.61 0.00 0.00 0.56 0.00 0.00 62.75 62.72 3hi9 n ILE 43 Cb 0.20 -1.53 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 3hi9 n ILE 43 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hi9 n GLY 44 N 2.15 -1.43 3.65 7.39 0.00 -1.20 -4.99 105.19 110.76 3hi9 n GLY 44 Ca -0.40 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 3hi9 n GLY 44 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hi9 s GLU 45 N -1.62 4.01 -0.25 1.61 2.12 -1.26 -4.28 118.70 119.03 3hi9 s GLU 45 Ca 0.00 2.39 -0.17 0.00 0.36 0.00 0.00 54.97 57.55 3hi9 s GLU 45 Cb 0.00 -4.14 -0.03 0.00 0.26 0.00 0.00 34.13 30.22 3hi9 s GLU 45 CO 0.00 -1.09 0.49 0.08 -0.54 0.00 0.00 175.26 174.20 3hi9 s VAL 46 N 4.87 5.10 0.11 3.70 1.01 -1.26 -1.98 120.40 131.95 3hi9 s VAL 46 Ca 0.86 0.84 -0.14 0.00 0.00 0.00 0.00 61.98 63.53 3hi9 s VAL 46 Cb -0.38 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 3hi9 s VAL 46 CO 0.37 0.12 1.42 -0.08 0.00 0.00 0.00 175.10 176.93 3hi9 h GLU 47 N 7.92 0.75 -2.07 2.72 4.22 -0.83 -3.46 114.58 123.83 3hi9 h GLU 47 Ca -0.30 -0.41 -0.02 0.00 0.08 0.00 0.00 59.36 58.71 3hi9 h GLU 47 Cb 1.15 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 30.23 3hi9 h GLU 47 CO 0.71 1.04 0.28 -1.54 -2.18 0.00 0.00 179.01 177.32 3hi9 s SER 48 N -6.64 -0.57 -0.06 1.04 1.04 -0.88 -4.99 113.70 102.64 3hi9 s SER 48 Ca -0.12 0.52 -0.02 0.00 0.48 0.00 0.00 55.95 56.80 3hi9 s SER 48 Cb 0.09 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.74 3hi9 s SER 48 CO 0.84 -0.61 0.12 0.00 0.98 0.00 0.00 173.24 174.58 3hi9 s ALA 49 N -1.64 -0.16 -0.10 5.32 0.00 -1.26 -0.69 121.76 123.24 3hi9 s ALA 49 Ca -0.07 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.46 3hi9 s ALA 49 Cb -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.66 3hi9 s ALA 49 CO 0.04 -0.23 -0.07 0.21 0.00 0.00 0.00 175.76 175.71 3hi9 s LYS 50 N 1.39 1.39 -0.22 0.00 2.20 0.15 -4.91 119.74 119.74 3hi9 s LYS 50 Ca -0.06 -0.21 -0.17 0.00 -0.36 0.00 0.00 55.97 55.16 3hi9 s LYS 50 Cb -0.12 -1.46 -0.03 0.00 -1.51 0.00 0.00 37.83 34.71 3hi9 s LYS 50 CO -0.05 -0.24 0.45 -1.17 -0.36 0.00 0.00 175.35 173.98 3hi9 s LEU 51 N 1.62 4.12 -0.00 5.43 2.96 -1.26 -0.89 118.68 130.66 3hi9 s LEU 51 Ca 0.03 0.53 -0.30 0.00 -0.22 0.00 0.00 54.13 54.17 3hi9 s LEU 51 Cb -0.13 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 3hi9 s LEU 51 CO -0.06 -0.16 1.06 -0.63 -1.32 0.00 0.00 176.35 175.23 3hi9 s ILE 52 N 1.71 4.59 0.22 6.68 -1.09 -0.34 -4.99 121.20 127.97 3hi9 s ILE 52 Ca 0.20 1.86 0.12 0.00 -2.23 0.00 0.00 60.65 60.60 3hi9 s ILE 52 Cb -0.15 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 3hi9 s ILE 52 CO 0.09 0.12 -0.23 -0.13 -1.23 0.00 0.00 174.94 173.56 3hi9 s ARG 53 N 1.24 1.56 0.35 2.79 0.52 -1.26 -1.05 118.95 123.10 3hi9 s ARG 53 Ca 0.54 -1.59 -0.25 0.00 -0.52 0.00 0.00 55.73 53.90 3hi9 s ARG 53 Cb -0.23 -1.82 -0.10 0.00 0.52 0.00 0.00 34.95 33.32 3hi9 s ARG 53 CO 0.27 0.38 0.99 0.16 0.02 0.00 0.00 175.30 177.12 3hi9 s ASP 54 N -2.90 7.12 0.23 0.23 1.47 -0.27 -4.84 116.67 117.71 3hi9 s ASP 54 Ca 0.23 1.94 0.26 0.00 1.18 0.00 0.00 52.55 56.16 3hi9 s ASP 54 Cb -0.07 -2.58 0.82 0.00 -0.34 0.00 0.00 42.92 40.75 3hi9 s ASP 54 CO 0.11 -0.23 1.76 0.11 0.68 0.00 0.00 175.17 177.60 3hi9 h LYS 55 N 2.95 0.00 0.00 2.11 1.57 -1.96 -1.34 116.57 119.91 3hi9 h LYS 55 Ca -0.47 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3hi9 h LYS 55 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3hi9 h LYS 55 CO 0.64 0.00 -0.18 0.28 -0.57 0.00 0.00 179.45 179.63 3hi9 h VAL 56 N 0.00 0.36 -0.00 0.50 2.07 -1.98 -3.41 116.25 113.78 3hi9 h VAL 56 Ca 0.00 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3hi9 h VAL 56 Cb 0.69 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3hi9 h VAL 56 CO 0.00 0.12 -0.31 0.00 0.02 0.00 0.00 177.57 177.40 3hi9 n ALA 57 N -2.96 3.01 -1.03 1.67 0.00 -1.25 -5.01 120.51 114.94 3hi9 n ALA 57 Ca -0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.01 3hi9 n ALA 57 Cb 0.17 -0.36 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 3hi9 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hi9 n GLY 58 N 1.03 0.44 3.79 0.00 0.00 -0.50 -5.02 105.19 104.93 3hi9 n GLY 58 Ca 0.03 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3hi9 n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hi9 s HIS 59 N -1.82 3.06 0.25 1.61 3.76 -1.26 -4.63 115.29 116.26 3hi9 s HIS 59 Ca 0.00 1.59 -0.31 0.00 -0.15 0.00 0.00 55.06 56.20 3hi9 s HIS 59 Cb 0.00 -3.09 -0.13 0.00 1.11 0.00 0.00 32.58 30.47 3hi9 s HIS 59 CO 0.00 -0.80 1.42 0.45 -0.85 0.00 0.00 174.74 174.96 3hi9 n SER 60 N -0.72 2.89 -0.41 1.40 2.88 -1.26 -1.11 113.62 117.30 3hi9 n SER 60 Ca 0.08 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.85 3hi9 n SER 60 Cb 0.52 -1.45 0.33 0.00 -0.75 0.00 0.00 64.21 62.85 3hi9 n SER 60 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hi9 n LEU 61 N 2.05 1.20 -1.03 2.46 4.77 -0.22 -4.81 117.00 121.43 3hi9 n LEU 61 Ca 0.11 -0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 55.45 3hi9 n LEU 61 Cb 0.32 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3hi9 n LEU 61 CO 0.63 0.27 -0.12 0.61 -1.33 0.00 0.00 177.39 177.45 3hi9 n GLY 62 N 0.98 0.45 3.33 -0.72 0.00 -1.26 -4.96 105.19 103.02 3hi9 n GLY 62 Ca 0.13 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 3hi9 n GLY 62 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hi9 s TYR 63 N -2.47 0.20 0.34 1.61 1.13 -1.26 -1.37 117.35 115.53 3hi9 s TYR 63 Ca 0.00 -0.57 -0.14 0.00 -1.41 0.00 0.00 57.07 54.95 3hi9 s TYR 63 Cb 0.00 0.04 0.03 0.00 -1.10 0.00 0.00 41.96 40.93 3hi9 s TYR 63 CO 0.00 -0.70 0.68 0.20 -2.51 0.00 0.00 175.55 173.22 3hi9 s GLY 64 N -2.91 0.49 -0.04 5.49 0.00 -0.40 -1.20 107.32 108.75 3hi9 s GLY 64 Ca 0.11 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 44.07 3hi9 s GLY 64 CO -0.04 -0.43 -0.17 -1.36 0.00 0.00 0.00 173.10 171.10 3hi9 s PHE 65 N -2.99 1.66 -0.09 1.90 0.08 -0.07 -0.59 117.98 117.88 3hi9 s PHE 65 Ca 0.18 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.77 3hi9 s PHE 65 Cb -0.04 -1.12 0.02 0.00 -0.57 0.00 0.00 43.02 41.30 3hi9 s PHE 65 CO 0.12 -0.16 -0.13 0.08 -0.10 0.00 0.00 175.22 175.03 3hi9 s VAL 66 N 0.05 1.29 -0.16 -0.44 1.01 -0.46 -0.67 120.40 121.01 3hi9 s VAL 66 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3hi9 s VAL 66 Cb -0.11 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3hi9 s VAL 66 CO 0.02 0.40 -0.12 0.21 0.00 0.00 0.00 175.10 175.60 3hi9 s ASN 67 N 0.95 3.86 0.39 3.32 2.47 0.14 0.48 114.94 126.55 3hi9 s ASN 67 Ca -0.08 -0.42 -0.09 0.00 0.42 0.00 0.00 52.86 52.68 3hi9 s ASN 67 Cb -0.15 -1.61 -0.06 0.00 -1.45 0.00 0.00 41.25 37.98 3hi9 s ASN 67 CO -0.00 0.08 0.72 -0.31 -3.72 0.00 0.00 177.10 173.87 3hi9 s TYR 68 N 0.87 3.48 0.13 0.43 1.51 -0.47 -0.20 117.35 123.10 3hi9 s TYR 68 Ca -0.03 0.93 -0.13 0.00 -1.01 0.00 0.00 57.07 56.82 3hi9 s TYR 68 Cb -0.15 -2.35 -0.01 0.00 -0.11 0.00 0.00 41.96 39.34 3hi9 s TYR 68 CO -0.00 -0.07 1.56 0.28 -1.11 0.00 0.00 175.55 176.22 3hi9 h VAL 69 N 1.05 1.27 -3.77 0.71 2.07 -1.73 -3.42 116.25 112.43 3hi9 h VAL 69 Ca -0.47 -1.11 -0.68 0.00 0.82 0.00 0.00 66.70 65.26 3hi9 h VAL 69 Cb 1.19 1.12 -0.19 0.00 -1.52 0.00 0.00 31.29 31.88 3hi9 h VAL 69 CO 0.64 0.38 -0.80 0.42 0.02 0.00 0.00 177.57 178.23 3hi9 s THR 70 N -4.92 2.87 0.28 2.57 -4.23 -1.26 -5.03 115.64 105.93 3hi9 s THR 70 Ca -0.13 -1.41 -0.03 0.00 -1.18 0.00 0.00 61.69 58.95 3hi9 s THR 70 Cb 0.11 -2.29 0.27 0.00 1.34 0.00 0.00 72.50 71.92 3hi9 s THR 70 CO 0.81 0.16 1.94 0.00 -0.54 0.00 0.00 174.62 176.99 3hi9 h ALA 71 N 3.91 1.40 -0.89 3.99 0.00 -1.86 -2.50 119.26 123.30 3hi9 h ALA 71 Ca -0.49 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.38 3hi9 h ALA 71 Cb 1.16 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 3hi9 h ALA 71 CO 0.47 0.54 0.59 0.87 0.00 0.00 0.00 179.25 181.71 3hi9 h LYS 72 N 1.17 1.15 -0.45 0.00 1.57 -1.96 -1.74 116.57 116.32 3hi9 h LYS 72 Ca 0.34 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.94 3hi9 h LYS 72 Cb -0.06 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 31.97 3hi9 h LYS 72 CO -0.09 0.76 -0.19 -0.44 -0.57 0.00 0.00 179.45 178.93 3hi9 h ASP 73 N 1.19 0.90 -0.85 0.86 3.32 -1.88 -1.05 116.42 118.91 3hi9 h ASP 73 Ca 0.33 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3hi9 h ASP 73 Cb -0.10 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.16 3hi9 h ASP 73 CO -0.08 1.07 0.56 0.00 -1.72 0.00 0.00 179.24 179.06 3hi9 h ALA 74 N 1.00 1.08 -0.32 3.45 0.00 -1.01 0.03 119.26 123.50 3hi9 h ALA 74 Ca 0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3hi9 h ALA 74 Cb 0.73 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hi9 h ALA 74 CO 0.06 0.47 -0.05 1.49 0.00 0.00 0.00 179.25 181.21 3hi9 h GLU 75 N 1.14 0.60 -0.95 0.00 4.81 -1.16 -2.14 114.58 116.87 3hi9 h GLU 75 Ca 0.32 -0.22 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3hi9 h GLU 75 Cb -0.11 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.16 3hi9 h GLU 75 CO -0.07 0.77 0.62 0.00 -0.73 0.00 0.00 179.01 179.59 3hi9 h ARG 76 N 0.38 1.04 -0.06 1.92 3.08 -0.86 -1.66 114.38 118.22 3hi9 h ARG 76 Ca 0.08 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hi9 h ARG 76 Cb 0.53 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3hi9 h ARG 76 CO 0.03 0.69 0.03 0.00 -1.07 0.00 0.00 179.97 179.64 3hi9 h ALA 77 N 1.50 0.07 -0.14 0.04 0.00 -0.59 0.10 119.26 120.24 3hi9 h ALA 77 Ca 0.42 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3hi9 h ALA 77 Cb 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3hi9 h ALA 77 CO -0.17 -0.37 -0.06 0.82 0.00 0.00 0.00 179.25 179.47 3hi9 h ILE 78 N -0.02 0.80 -0.50 0.00 2.04 -1.19 0.28 117.51 118.91 3hi9 h ILE 78 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3hi9 h ILE 78 Cb 0.11 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3hi9 h ILE 78 CO -0.00 0.00 0.28 0.78 0.00 0.00 0.00 178.15 179.21 3hi9 h ASN 79 N -0.04 0.61 0.10 1.72 -0.26 -1.20 -2.41 115.58 114.09 3hi9 h ASN 79 Ca 0.08 -0.04 -0.25 0.00 -0.56 0.00 0.00 56.30 55.53 3hi9 h ASN 79 Cb 0.15 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 3hi9 h ASN 79 CO -0.17 0.49 -1.29 0.74 -1.06 0.00 0.00 177.43 176.14 3hi9 h THR 80 N 0.69 1.08 0.00 2.81 2.02 -0.70 -3.42 112.91 115.39 3hi9 h THR 80 Ca 0.18 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.98 3hi9 h THR 80 Cb 0.01 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 3hi9 h THR 80 CO -0.03 0.66 -1.84 0.18 0.37 0.00 0.00 175.52 174.85 3hi9 n LEU 81 N -4.02 0.04 -4.65 2.58 4.77 0.96 -4.85 117.00 111.82 3hi9 n LEU 81 Ca -0.25 -0.02 -0.47 0.00 -0.03 0.00 0.00 56.01 55.25 3hi9 n LEU 81 Cb 0.85 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.90 3hi9 n LEU 81 CO 0.38 0.01 1.02 -3.20 -1.33 0.00 0.00 177.39 174.28 3hi9 n ASN 82 N -2.14 2.56 0.00 -1.43 5.15 -0.91 -1.57 115.26 116.92 3hi9 n ASN 82 Ca -0.03 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.07 3hi9 n ASN 82 Cb 0.50 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.37 3hi9 n ASN 82 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hi9 n GLY 83 N 2.59 1.22 3.70 8.20 0.00 -0.06 -4.97 105.19 115.88 3hi9 n GLY 83 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3hi9 n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hi9 s LEU 84 N 0.00 4.39 -0.25 0.99 2.96 -0.61 -4.53 118.68 121.63 3hi9 s LEU 84 Ca 0.00 2.76 -0.24 0.00 -0.22 0.00 0.00 54.13 56.42 3hi9 s LEU 84 Cb 0.00 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.11 3hi9 s LEU 84 CO 0.00 -0.97 0.83 -0.60 -1.32 0.00 0.00 176.35 174.29 3hi9 s ARG 85 N 2.17 4.15 -0.17 1.98 3.52 -1.26 -0.92 118.95 128.43 3hi9 s ARG 85 Ca 0.78 0.90 0.00 0.00 -0.13 0.00 0.00 55.73 57.28 3hi9 s ARG 85 Cb -0.46 -3.66 0.01 0.00 -1.56 0.00 0.00 34.95 29.27 3hi9 s ARG 85 CO 0.34 -0.55 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.61 3hi9 s LEU 86 N 2.88 2.36 0.00 -0.88 1.43 0.73 -4.94 118.68 120.25 3hi9 s LEU 86 Ca 0.35 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3hi9 s LEU 86 Cb -0.15 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3hi9 s LEU 86 CO 0.08 0.04 0.00 0.00 0.23 0.00 0.00 176.35 176.70 3hi9 n GLN 87 N 4.39 0.00 -0.05 1.70 6.02 -1.26 -1.29 117.38 126.89 3hi9 n GLN 87 Ca -0.20 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 56.90 3hi9 n GLN 87 Cb 0.51 0.00 0.44 0.00 1.02 0.00 0.00 30.24 32.20 3hi9 n GLN 87 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hi9 n SER 88 N 3.39 1.20 -4.08 1.08 3.41 -1.26 -4.93 113.62 112.43 3hi9 n SER 88 Ca 0.00 -1.61 -0.13 0.00 -0.26 0.00 0.00 58.87 56.87 3hi9 n SER 88 Cb 0.00 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 63.77 3hi9 n SER 88 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3hi9 s LYS 89 N -1.86 0.59 -0.30 4.33 -2.85 -0.41 -5.12 119.74 114.12 3hi9 s LYS 89 Ca 0.32 -0.87 -0.17 0.00 -1.00 0.00 0.00 55.97 54.25 3hi9 s LYS 89 Cb 0.16 -0.28 -0.02 0.00 -2.06 0.00 0.00 37.83 35.63 3hi9 s LYS 89 CO 0.25 0.04 0.45 0.99 0.10 0.00 0.00 175.35 177.18 3hi9 s THR 90 N -1.82 5.10 0.55 3.79 2.01 -1.26 -0.20 115.64 123.81 3hi9 s THR 90 Ca -0.06 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 62.31 3hi9 s THR 90 Cb -0.07 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.56 3hi9 s THR 90 CO -0.01 0.01 1.05 0.27 -0.69 0.00 0.00 174.62 175.25 3hi9 s ILE 91 N 2.23 3.79 -0.11 1.82 -4.36 -0.09 -4.83 121.20 119.64 3hi9 s ILE 91 Ca 0.17 0.96 0.01 0.00 -0.26 0.00 0.00 60.65 61.53 3hi9 s ILE 91 Cb -0.16 -3.41 -0.02 0.00 1.25 0.00 0.00 42.46 40.12 3hi9 s ILE 91 CO 0.11 -0.39 -0.13 -0.75 0.24 0.00 0.00 174.94 174.02 3hi9 s LYS 92 N -3.71 3.15 -0.13 0.37 2.20 -0.59 -0.88 119.74 120.16 3hi9 s LYS 92 Ca 0.65 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 55.60 3hi9 s LYS 92 Cb -0.16 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 3hi9 s LYS 92 CO 0.30 0.34 -0.17 0.08 -0.36 0.00 0.00 175.35 175.53 3hi9 s VAL 93 N 0.03 1.72 0.20 4.02 1.01 -1.26 -0.56 120.40 125.55 3hi9 s VAL 93 Ca -0.04 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 3hi9 s VAL 93 Cb -0.14 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3hi9 s VAL 93 CO 0.04 0.48 0.38 -0.94 0.00 0.00 0.00 175.10 175.07 3hi9 s SER 94 N 1.02 -0.06 0.21 3.32 1.04 -0.86 -4.79 113.70 113.58 3hi9 s SER 94 Ca -0.05 -0.83 -0.31 0.00 0.48 0.00 0.00 55.95 55.25 3hi9 s SER 94 Cb -0.15 0.51 -0.10 0.00 0.10 0.00 0.00 66.02 66.38 3hi9 s SER 94 CO -0.04 -1.00 1.46 -0.31 0.98 0.00 0.00 173.24 174.34 3hi9 s TYR 95 N -3.97 3.06 -2.00 5.02 2.02 -1.26 -0.92 117.35 119.30 3hi9 s TYR 95 Ca 0.18 0.92 0.08 0.00 -0.37 0.00 0.00 57.07 57.88 3hi9 s TYR 95 Cb 0.01 -3.82 0.45 0.00 -0.40 0.00 0.00 41.96 38.20 3hi9 s TYR 95 CO 0.03 -2.80 0.91 0.00 -1.57 0.00 0.00 175.55 172.11