#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 4.51 0.00 1.61 0.52 -1.26 -4.71 118.95 119.62 3hi9 s ARG 19 Ca 0.00 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.08 3hi9 s ARG 19 Cb 0.00 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.24 3hi9 s ARG 19 CO 0.00 -0.05 0.00 0.25 0.02 0.00 0.00 175.30 175.52 3hi9 n THR 20 N 2.32 0.00 -3.40 0.02 -2.24 -1.26 -4.45 114.28 105.27 3hi9 n THR 20 Ca 0.04 -0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.33 3hi9 n THR 20 Cb 0.45 0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.25 6.48 0.13 3.42 2.47 -1.26 -1.54 114.94 123.39 3hi9 s ASN 21 Ca 0.00 0.56 0.09 0.00 0.42 0.00 0.00 52.86 53.93 3hi9 s ASN 21 Cb 0.00 -2.23 -0.04 0.00 -1.45 0.00 0.00 41.25 37.53 3hi9 s ASN 21 CO 0.00 -0.03 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.43 3hi9 s LEU 22 N 1.05 2.79 -0.10 3.21 1.43 0.78 -1.63 118.68 126.22 3hi9 s LEU 22 Ca 0.20 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3hi9 s LEU 22 Cb -0.14 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3hi9 s LEU 22 CO 0.08 0.16 -0.02 -0.51 0.23 0.00 0.00 176.35 176.29 3hi9 s ILE 23 N -1.28 4.14 -0.20 -0.59 2.07 0.08 -1.43 121.20 123.99 3hi9 s ILE 23 Ca 0.20 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 59.14 3hi9 s ILE 23 Cb -0.10 -2.76 0.02 0.00 0.13 0.00 0.00 42.46 39.75 3hi9 s ILE 23 CO 0.12 0.57 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.87 3hi9 s VAL 24 N -0.51 2.33 0.32 4.00 1.01 -0.14 -1.99 120.40 125.41 3hi9 s VAL 24 Ca 0.09 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3hi9 s VAL 24 Cb -0.12 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3hi9 s VAL 24 CO 0.02 0.44 0.19 0.20 0.00 0.00 0.00 175.10 175.95 3hi9 s ASN 25 N 1.30 5.00 -1.13 3.32 0.01 -0.03 -1.36 114.94 122.05 3hi9 s ASN 25 Ca 0.03 -0.59 -0.06 0.00 -0.71 0.00 0.00 52.86 51.53 3hi9 s ASN 25 Cb -0.14 -0.91 0.01 0.00 0.41 0.00 0.00 41.25 40.61 3hi9 s ASN 25 CO -0.10 -0.26 0.77 -1.22 -1.51 0.00 0.00 177.10 174.78 3hi9 n TYR 26 N -1.21 -2.02 -2.45 2.20 4.01 -0.92 -1.70 117.16 115.07 3hi9 n TYR 26 Ca -0.03 0.66 -0.35 0.00 -0.16 0.00 0.00 57.90 58.02 3hi9 n TYR 26 Cb 0.60 -4.05 -0.02 0.00 -0.31 0.00 0.00 39.34 35.56 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 -5.77 3.87 0.61 7.72 1.43 -0.45 -4.42 118.68 121.67 3hi9 s LEU 27 Ca 0.38 2.04 -0.18 0.00 -1.03 0.00 0.00 54.13 55.34 3hi9 s LEU 27 Cb -0.17 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 3hi9 s LEU 27 CO 0.47 -0.87 1.22 -2.84 0.23 0.00 0.00 176.35 174.56 3hi9 s PRO 28 N -3.12 2.84 0.42 1.29 0.02 -1.26 -4.67 135.00 130.52 3hi9 s PRO 28 Ca 0.67 1.84 0.10 0.00 0.02 0.00 0.00 61.00 63.64 3hi9 s PRO 28 Cb -0.20 -1.91 0.94 0.00 0.02 0.00 0.00 34.50 33.35 3hi9 s PRO 28 CO 0.24 -1.31 2.02 1.96 -0.33 0.00 0.00 177.00 179.57 3hi9 h GLN 29 N 0.72 0.48 -0.32 5.54 1.08 -1.95 -2.64 115.11 118.02 3hi9 h GLN 29 Ca -0.50 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 3hi9 h GLN 29 Cb 1.30 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3hi9 h GLN 29 CO 0.54 0.32 0.00 0.27 -0.95 0.00 0.00 178.83 179.01 3hi9 n ASN 30 N -4.47 2.50 -4.65 1.46 2.04 -1.26 -4.70 115.26 106.18 3hi9 n ASN 30 Ca 0.07 -1.88 -0.43 0.00 -0.44 0.00 0.00 54.58 51.90 3hi9 n ASN 30 Cb 0.22 -0.21 -0.02 0.00 -2.53 0.00 0.00 39.78 37.23 3hi9 n ASN 30 CO 0.00 0.00 0.00 -0.32 -0.44 0.00 0.00 177.26 176.50 3hi9 s MET 31 N -1.58 4.17 0.68 -3.83 1.75 -1.00 -5.03 119.30 114.46 3hi9 s MET 31 Ca 0.34 1.59 -0.06 0.00 -1.25 0.00 0.00 55.69 56.32 3hi9 s MET 31 Cb 0.19 -3.79 0.05 0.00 2.84 0.00 0.00 34.83 34.12 3hi9 s MET 31 CO 0.27 -0.80 0.99 0.95 -0.65 0.00 0.00 175.02 175.78 3hi9 s THR 32 N 3.70 2.53 0.27 10.11 -4.23 -1.26 -4.88 115.64 121.88 3hi9 s THR 32 Ca 0.56 -0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 3hi9 s THR 32 Cb -0.21 -3.08 0.17 0.00 1.34 0.00 0.00 72.50 70.72 3hi9 s THR 32 CO 0.17 -0.09 1.83 -0.61 -0.54 0.00 0.00 174.62 175.38 3hi9 h GLN 33 N -0.51 0.94 -0.91 3.99 4.15 -1.95 -1.61 115.11 119.20 3hi9 h GLN 33 Ca -0.44 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 58.80 3hi9 h GLN 33 Cb 1.30 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.80 3hi9 h GLN 33 CO 0.60 0.79 0.57 -0.44 -1.93 0.00 0.00 178.83 178.42 3hi9 h ASP 34 N 0.92 1.08 -0.51 -0.69 3.32 -1.95 -0.42 116.42 118.18 3hi9 h ASP 34 Ca 0.21 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 3hi9 h ASP 34 Cb 0.23 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3hi9 h ASP 34 CO -0.01 0.82 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.98 3hi9 h GLU 35 N 1.25 0.91 0.19 3.56 5.08 -1.79 -0.80 114.58 122.99 3hi9 h GLU 35 Ca 0.33 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3hi9 h GLU 35 Cb -0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3hi9 h GLU 35 CO -0.06 0.95 -0.22 1.25 -1.00 0.00 0.00 179.01 179.93 3hi9 h LEU 36 N 0.78 -0.59 -1.15 1.33 5.85 -1.18 -1.17 115.31 119.18 3hi9 h LEU 36 Ca 0.14 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.98 3hi9 h LEU 36 Cb 0.55 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 3hi9 h LEU 36 CO 0.03 -0.32 0.59 -0.09 -0.34 0.00 0.00 178.44 178.31 3hi9 h ARG 37 N -0.45 1.02 -0.13 1.25 2.43 -0.95 -2.75 114.38 114.80 3hi9 h ARG 37 Ca 0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hi9 h ARG 37 Cb 0.44 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3hi9 h ARG 37 CO -0.07 0.67 0.07 0.77 -1.51 0.00 0.00 179.97 179.90 3hi9 h SER 38 N 1.05 0.16 -0.48 -3.80 0.02 -0.87 0.44 113.55 110.08 3hi9 h SER 38 Ca 0.38 -0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.32 3hi9 h SER 38 Cb 0.15 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 3hi9 h SER 38 CO -0.13 0.22 -0.03 0.25 -1.14 0.00 0.00 176.83 175.99 3hi9 h LEU 39 N 0.10 -0.26 -0.40 5.07 5.85 -1.00 -2.33 115.31 122.34 3hi9 h LEU 39 Ca 0.04 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3hi9 h LEU 39 Cb 0.09 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3hi9 h LEU 39 CO -0.01 -0.09 -0.08 -0.26 -0.34 0.00 0.00 178.44 177.66 3hi9 h PHE 40 N 0.08 0.00 0.00 1.25 -1.00 -1.31 -2.95 116.94 113.01 3hi9 h PHE 40 Ca 0.24 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.01 3hi9 h PHE 40 Cb 0.36 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 3hi9 h PHE 40 CO -0.33 0.08 -0.05 0.77 -1.61 0.00 0.00 178.31 177.16 3hi9 h SER 41 N 0.00 0.00 0.38 2.17 0.02 -0.36 -2.71 113.55 113.05 3hi9 h SER 41 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3hi9 h SER 41 Cb 0.92 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 3hi9 h SER 41 CO 0.01 0.05 -0.04 0.77 -1.14 0.00 0.00 176.83 176.48 3hi9 h SER 42 N 0.00 0.00 0.07 3.07 4.64 -1.30 -3.12 113.55 116.92 3hi9 h SER 42 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3hi9 h SER 42 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 3hi9 h SER 42 CO 0.01 0.04 -1.95 -0.38 -0.87 0.00 0.00 176.83 173.68 3hi9 n ILE 43 N -3.33 1.68 -0.72 0.95 2.08 -1.02 -5.08 119.36 113.91 3hi9 n ILE 43 Ca -0.02 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.79 3hi9 n ILE 43 Cb 0.19 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.32 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 1.88 -1.18 3.68 7.39 0.00 -1.18 -5.02 105.19 110.76 3hi9 n GLY 44 Ca -0.35 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.55 4.21 -0.23 1.61 2.56 -1.26 -4.35 118.70 119.70 3hi9 s GLU 45 Ca 0.00 2.17 -0.17 0.00 0.00 0.00 0.00 54.97 56.97 3hi9 s GLU 45 Cb 0.00 -3.77 -0.03 0.00 2.00 0.00 0.00 34.13 32.33 3hi9 s GLU 45 CO 0.00 -0.75 0.45 0.08 -0.56 0.00 0.00 175.26 174.48 3hi9 s VAL 46 N 3.23 5.14 -0.02 3.70 1.01 -1.26 -2.23 120.40 129.97 3hi9 s VAL 46 Ca 0.71 0.77 -0.24 0.00 0.00 0.00 0.00 61.98 63.22 3hi9 s VAL 46 Cb -0.34 -3.77 -0.17 0.00 0.00 0.00 0.00 36.38 32.10 3hi9 s VAL 46 CO 0.29 0.17 1.11 -0.08 0.00 0.00 0.00 175.10 176.59 3hi9 h GLU 47 N 7.74 -0.24 -2.95 2.72 4.81 -0.14 -3.46 114.58 123.05 3hi9 h GLU 47 Ca -0.33 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 3hi9 h GLU 47 Cb 1.15 0.05 -0.19 0.00 0.63 0.00 0.00 28.75 30.40 3hi9 h GLU 47 CO 0.70 0.16 -0.19 -1.54 -0.73 0.00 0.00 179.01 177.41 3hi9 s SER 48 N -5.36 -0.25 -0.05 1.04 1.04 -0.99 -4.99 113.70 104.14 3hi9 s SER 48 Ca -0.14 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 3hi9 s SER 48 Cb 0.01 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.52 3hi9 s SER 48 CO 0.55 -0.53 0.01 0.00 0.98 0.00 0.00 173.24 174.25 3hi9 s ALA 49 N -1.68 0.45 -0.13 5.32 0.00 -1.26 -0.64 121.76 123.83 3hi9 s ALA 49 Ca -0.11 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 3hi9 s ALA 49 Cb -0.03 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.60 3hi9 s ALA 49 CO 0.03 -0.27 -0.06 0.21 0.00 0.00 0.00 175.76 175.67 3hi9 s LYS 50 N 1.53 1.45 -0.10 0.00 2.20 0.24 -4.92 119.74 120.14 3hi9 s LYS 50 Ca -0.02 -0.32 -0.22 0.00 -0.36 0.00 0.00 55.97 55.05 3hi9 s LYS 50 Cb -0.13 -1.69 -0.04 0.00 -1.51 0.00 0.00 37.83 34.46 3hi9 s LYS 50 CO -0.03 -0.32 0.64 -1.17 -0.36 0.00 0.00 175.35 174.11 3hi9 s LEU 51 N 1.70 4.28 -0.09 5.43 2.96 -1.26 -0.78 118.68 130.92 3hi9 s LEU 51 Ca 0.04 1.06 -0.28 0.00 -0.22 0.00 0.00 54.13 54.72 3hi9 s LEU 51 Cb -0.13 -2.97 -0.02 0.00 0.50 0.00 0.00 46.19 43.56 3hi9 s LEU 51 CO -0.08 -0.12 0.95 -0.63 -1.32 0.00 0.00 176.35 175.15 3hi9 s ILE 52 N 0.94 4.84 0.15 6.68 -1.09 -0.63 -5.00 121.20 127.10 3hi9 s ILE 52 Ca 0.34 1.93 0.09 0.00 -2.23 0.00 0.00 60.65 60.78 3hi9 s ILE 52 Cb -0.17 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 3hi9 s ILE 52 CO 0.15 0.06 -0.15 -0.13 -1.23 0.00 0.00 174.94 173.64 3hi9 s ARG 53 N 1.73 1.88 0.05 2.79 0.52 -1.26 -0.19 118.95 124.47 3hi9 s ARG 53 Ca 0.47 -1.25 -0.31 0.00 -0.52 0.00 0.00 55.73 54.12 3hi9 s ARG 53 Cb -0.18 -2.11 -0.06 0.00 0.52 0.00 0.00 34.95 33.12 3hi9 s ARG 53 CO 0.19 0.45 1.23 0.34 0.02 0.00 0.00 175.30 177.54 3hi9 s ASP 54 N -2.49 7.03 0.37 0.23 2.15 0.12 -4.84 116.67 119.24 3hi9 s ASP 54 Ca 0.21 2.04 0.27 0.00 0.43 0.00 0.00 52.55 55.50 3hi9 s ASP 54 Cb -0.10 -2.58 1.20 0.00 -0.30 0.00 0.00 42.92 41.15 3hi9 s ASP 54 CO 0.12 -0.52 1.82 0.50 -0.17 0.00 0.00 175.17 176.92 3hi9 h LYS 55 N 6.93 0.00 0.00 4.34 3.64 -1.95 0.14 116.57 129.67 3hi9 h LYS 55 Ca -0.41 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.88 3hi9 h LYS 55 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3hi9 h LYS 55 CO 0.83 0.00 -0.71 0.28 -2.27 0.00 0.00 179.45 177.58 3hi9 h VAL 56 N 0.00 0.48 0.00 2.00 2.07 -1.98 -3.43 116.25 115.39 3hi9 h VAL 56 Ca 0.00 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.97 3hi9 h VAL 56 Cb 0.33 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3hi9 h VAL 56 CO 0.00 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.75 3hi9 n ALA 57 N -3.40 2.25 -1.13 1.67 0.00 -1.25 -5.02 120.51 113.63 3hi9 n ALA 57 Ca -0.16 -0.72 -0.04 0.00 0.00 0.00 0.00 53.44 52.51 3hi9 n ALA 57 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.23 0.68 3.81 0.00 0.00 0.48 -4.99 105.19 104.95 3hi9 n GLY 58 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.97 3.05 0.38 1.61 3.76 -1.26 -4.50 115.29 116.36 3hi9 s HIS 59 Ca 0.00 1.45 -0.28 0.00 -0.15 0.00 0.00 55.06 56.08 3hi9 s HIS 59 Cb 0.00 -2.91 -0.11 0.00 1.11 0.00 0.00 32.58 30.67 3hi9 s HIS 59 CO 0.00 -1.26 1.47 0.45 -0.85 0.00 0.00 174.74 174.55 3hi9 n SER 60 N -3.00 3.70 -0.63 1.40 2.88 -1.26 0.16 113.62 116.87 3hi9 n SER 60 Ca 0.08 1.22 0.11 0.00 -1.33 0.00 0.00 58.87 58.94 3hi9 n SER 60 Cb 0.53 -1.61 0.35 0.00 -0.75 0.00 0.00 64.21 62.73 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 0.40 1.90 -0.23 2.46 4.77 0.74 -4.74 117.00 122.30 3hi9 n LEU 61 Ca 0.02 -0.80 -0.03 0.00 -0.03 0.00 0.00 56.01 55.17 3hi9 n LEU 61 Cb 0.39 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3hi9 n LEU 61 CO 0.63 0.40 -0.03 0.61 -1.33 0.00 0.00 177.39 177.68 3hi9 n GLY 62 N 1.18 0.46 3.59 -0.72 0.00 -1.26 -4.99 105.19 103.45 3hi9 n GLY 62 Ca 0.16 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.11 -0.18 0.26 1.61 1.13 -1.26 -1.35 117.35 115.45 3hi9 s TYR 63 Ca 0.00 -0.17 -0.20 0.00 -1.41 0.00 0.00 57.07 55.29 3hi9 s TYR 63 Cb 0.00 0.49 0.07 0.00 -1.10 0.00 0.00 41.96 41.42 3hi9 s TYR 63 CO 0.00 -0.99 0.95 0.20 -2.51 0.00 0.00 175.55 173.20 3hi9 s GLY 64 N -2.87 0.22 -0.07 5.49 0.00 -0.46 -1.60 107.32 108.02 3hi9 s GLY 64 Ca 0.09 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.34 3hi9 s GLY 64 CO -0.01 1.56 -0.16 -1.36 0.00 0.00 0.00 173.10 173.13 3hi9 s PHE 65 N -2.18 1.77 -0.12 1.90 0.08 0.04 -0.97 117.98 118.51 3hi9 s PHE 65 Ca 0.20 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.59 3hi9 s PHE 65 Cb -0.04 -1.24 0.02 0.00 -0.57 0.00 0.00 43.02 41.19 3hi9 s PHE 65 CO 0.08 -0.31 -0.14 0.08 -0.10 0.00 0.00 175.22 174.83 3hi9 s VAL 66 N 0.54 1.44 -0.19 -0.44 1.01 -0.52 -0.59 120.40 121.64 3hi9 s VAL 66 Ca -0.15 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3hi9 s VAL 66 Cb -0.16 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3hi9 s VAL 66 CO 0.05 0.43 -0.08 0.21 0.00 0.00 0.00 175.10 175.71 3hi9 s ASN 67 N 1.27 4.13 0.29 3.32 3.04 0.19 -0.15 114.94 127.04 3hi9 s ASN 67 Ca -0.01 -0.38 -0.04 0.00 0.04 0.00 0.00 52.86 52.47 3hi9 s ASN 67 Cb -0.14 -1.68 -0.05 0.00 -1.54 0.00 0.00 41.25 37.84 3hi9 s ASN 67 CO -0.06 0.05 0.55 -0.31 -3.04 0.00 0.00 177.10 174.28 3hi9 s TYR 68 N 1.07 3.48 0.08 0.43 1.51 -0.59 0.57 117.35 123.90 3hi9 s TYR 68 Ca 0.00 0.59 -0.24 0.00 -1.01 0.00 0.00 57.07 56.42 3hi9 s TYR 68 Cb -0.15 -2.07 -0.16 0.00 -0.11 0.00 0.00 41.96 39.48 3hi9 s TYR 68 CO -0.01 0.17 1.69 0.28 -1.11 0.00 0.00 175.55 176.56 3hi9 h VAL 69 N 1.28 0.99 -3.38 0.71 2.07 -1.78 -3.43 116.25 112.71 3hi9 h VAL 69 Ca -0.48 -0.10 -0.66 0.00 0.82 0.00 0.00 66.70 66.28 3hi9 h VAL 69 Cb 1.19 1.06 -0.13 0.00 -1.52 0.00 0.00 31.29 31.89 3hi9 h VAL 69 CO 0.66 0.03 -0.66 0.42 0.02 0.00 0.00 177.57 178.03 3hi9 s THR 70 N -6.00 4.02 0.33 2.57 -4.23 -1.26 -5.01 115.64 106.07 3hi9 s THR 70 Ca -0.14 -0.85 0.16 0.00 -1.18 0.00 0.00 61.69 59.69 3hi9 s THR 70 Cb 0.05 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 71.16 3hi9 s THR 70 CO 0.66 0.23 1.84 0.00 -0.54 0.00 0.00 174.62 176.80 3hi9 h ALA 71 N 3.83 1.27 -0.79 3.99 0.00 -1.84 -2.50 119.26 123.22 3hi9 h ALA 71 Ca -0.48 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3hi9 h ALA 71 Cb 1.17 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3hi9 h ALA 71 CO 0.58 0.43 0.50 -0.22 0.00 0.00 0.00 179.25 180.55 3hi9 h LYS 72 N 0.00 1.06 -0.26 0.00 1.63 -1.95 -1.07 116.57 115.99 3hi9 h LYS 72 Ca -0.00 -0.08 -0.12 0.00 -0.85 0.00 0.00 60.65 59.60 3hi9 h LYS 72 Cb 0.68 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 3hi9 h LYS 72 CO 0.04 0.73 -0.30 -0.44 -3.45 0.00 0.00 179.45 176.04 3hi9 h ASP 73 N 1.08 0.70 -0.67 4.20 3.32 -1.86 -1.70 116.42 121.50 3hi9 h ASP 73 Ca 0.29 -0.49 0.10 0.00 0.02 0.00 0.00 57.03 56.95 3hi9 h ASP 73 Cb -0.08 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.20 3hi9 h ASP 73 CO -0.06 1.05 0.29 0.00 -1.72 0.00 0.00 179.24 178.81 3hi9 h ALA 74 N 0.67 0.90 -0.09 3.45 0.00 -1.27 0.03 119.26 122.96 3hi9 h ALA 74 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hi9 h ALA 74 Cb 0.87 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3hi9 h ALA 74 CO 0.07 -0.12 0.03 1.49 0.00 0.00 0.00 179.25 180.72 3hi9 h GLU 75 N 0.50 0.08 0.00 0.00 4.81 -1.02 -1.92 114.58 117.03 3hi9 h GLU 75 Ca 0.34 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3hi9 h GLU 75 Cb 0.39 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3hi9 h GLU 75 CO -0.30 0.05 -0.31 0.07 -0.73 0.00 0.00 179.01 177.80 3hi9 h ARG 76 N 0.08 0.00 -0.26 1.92 0.11 -0.90 -1.88 114.38 113.44 3hi9 h ARG 76 Ca 0.04 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.07 3hi9 h ARG 76 Cb 0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 3hi9 h ARG 76 CO -0.04 0.31 -0.01 0.00 0.10 0.00 0.00 179.97 180.33 3hi9 h ALA 77 N 1.69 0.36 -0.00 0.08 0.00 -0.72 -0.22 119.26 120.44 3hi9 h ALA 77 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3hi9 h ALA 77 Cb 0.75 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3hi9 h ALA 77 CO 0.04 0.10 -0.23 0.82 0.00 0.00 0.00 179.25 179.98 3hi9 h ILE 78 N 0.25 0.46 -0.32 0.00 2.04 -1.13 0.60 117.51 119.42 3hi9 h ILE 78 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3hi9 h ILE 78 Cb 0.43 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3hi9 h ILE 78 CO 0.01 0.00 0.09 0.78 0.00 0.00 0.00 178.15 179.04 3hi9 h ASN 79 N -0.36 0.41 0.08 1.72 -0.26 -1.21 -1.84 115.58 114.11 3hi9 h ASN 79 Ca 0.06 -0.05 -0.19 0.00 -0.56 0.00 0.00 56.30 55.56 3hi9 h ASN 79 Cb 0.45 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.60 3hi9 h ASN 79 CO -0.21 0.41 -0.98 0.74 -1.06 0.00 0.00 177.43 176.32 3hi9 h THR 80 N 0.45 1.26 0.00 2.81 2.02 -0.92 -3.42 112.91 115.11 3hi9 h THR 80 Ca 0.11 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.91 3hi9 h THR 80 Cb 0.15 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3hi9 h THR 80 CO -0.01 0.62 -0.98 0.18 0.37 0.00 0.00 175.52 175.70 3hi9 n LEU 81 N -4.19 0.52 -4.72 2.58 4.77 0.19 -4.84 117.00 111.31 3hi9 n LEU 81 Ca -0.21 -0.36 -0.43 0.00 -0.03 0.00 0.00 56.01 54.98 3hi9 n LEU 81 Cb 0.76 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.83 3hi9 n LEU 81 CO 0.37 0.13 1.22 -3.20 -1.33 0.00 0.00 177.39 174.58 3hi9 n ASN 82 N -1.54 3.62 0.00 -1.43 5.15 -0.69 -1.79 115.26 118.58 3hi9 n ASN 82 Ca 0.01 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 3hi9 n ASN 82 Cb 0.28 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 37.98 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 2.50 0.58 3.75 8.20 0.00 -0.51 -4.98 105.19 114.74 3hi9 n GLY 83 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 4.34 -0.33 0.99 2.96 -0.74 -4.60 118.68 121.30 3hi9 s LEU 84 Ca 0.00 2.96 -0.16 0.00 -0.22 0.00 0.00 54.13 56.71 3hi9 s LEU 84 Cb 0.00 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 3hi9 s LEU 84 CO 0.00 -0.91 0.40 -0.60 -1.32 0.00 0.00 176.35 173.91 3hi9 s ARG 85 N -0.55 3.68 -0.17 1.98 3.52 -1.26 -0.51 118.95 125.64 3hi9 s ARG 85 Ca 0.63 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.99 3hi9 s ARG 85 Cb -0.48 -3.77 0.02 0.00 -1.56 0.00 0.00 34.95 29.16 3hi9 s ARG 85 CO 0.48 -0.49 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.79 3hi9 s LEU 86 N 2.11 2.02 -0.85 -0.88 1.43 0.11 -4.81 118.68 117.81 3hi9 s LEU 86 Ca 0.14 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.42 3hi9 s LEU 86 Cb -0.16 -1.40 0.03 0.00 0.03 0.00 0.00 46.19 44.69 3hi9 s LEU 86 CO 0.12 -0.00 0.49 0.00 0.23 0.00 0.00 176.35 177.19 3hi9 n GLN 87 N 4.59 -0.55 -0.70 1.70 6.02 -1.26 -0.67 117.38 126.50 3hi9 n GLN 87 Ca -0.20 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 3hi9 n GLN 87 Cb 0.50 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.18 3hi9 n GLN 87 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3hi9 n SER 88 N -1.43 0.00 -4.61 1.08 7.64 -1.26 -4.97 113.62 110.06 3hi9 n SER 88 Ca -0.11 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.45 3hi9 n SER 88 Cb 0.44 -0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 62.55 3hi9 n SER 88 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3hi9 s LYS 89 N -0.37 2.58 -0.32 1.43 1.02 0.15 -5.09 119.74 119.14 3hi9 s LYS 89 Ca 0.00 -0.72 -0.14 0.00 0.02 0.00 0.00 55.97 55.13 3hi9 s LYS 89 Cb 0.00 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 3hi9 s LYS 89 CO 0.00 0.60 0.33 0.99 -0.92 0.00 0.00 175.35 176.35 3hi9 s THR 90 N -1.03 5.20 0.58 2.17 2.01 -1.26 0.08 115.64 123.38 3hi9 s THR 90 Ca 0.18 0.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 3hi9 s THR 90 Cb -0.11 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 3hi9 s THR 90 CO 0.09 -0.01 1.06 0.27 -0.69 0.00 0.00 174.62 175.34 3hi9 s ILE 91 N 1.96 3.72 -0.07 1.82 -4.36 0.33 -4.80 121.20 119.79 3hi9 s ILE 91 Ca 0.11 0.86 0.05 0.00 -0.26 0.00 0.00 60.65 61.40 3hi9 s ILE 91 Cb -0.16 -3.36 -0.01 0.00 1.25 0.00 0.00 42.46 40.17 3hi9 s ILE 91 CO 0.11 -0.44 -0.21 -0.75 0.24 0.00 0.00 174.94 173.89 3hi9 s LYS 92 N -3.93 2.71 -0.11 0.37 2.20 -0.69 -1.42 119.74 118.88 3hi9 s LYS 92 Ca 0.65 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 3hi9 s LYS 92 Cb -0.17 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.89 3hi9 s LYS 92 CO 0.35 0.38 -0.16 0.08 -0.36 0.00 0.00 175.35 175.64 3hi9 s VAL 93 N -0.13 1.53 0.21 4.02 1.01 -1.26 -0.85 120.40 124.92 3hi9 s VAL 93 Ca -0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 3hi9 s VAL 93 Cb -0.14 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3hi9 s VAL 93 CO 0.04 0.45 0.47 -0.94 0.00 0.00 0.00 175.10 175.12 3hi9 s SER 94 N 0.94 -0.15 0.35 3.32 1.04 -0.84 -4.79 113.70 113.56 3hi9 s SER 94 Ca -0.07 -0.69 -0.29 0.00 0.48 0.00 0.00 55.95 55.38 3hi9 s SER 94 Cb -0.15 0.56 -0.11 0.00 0.10 0.00 0.00 66.02 66.42 3hi9 s SER 94 CO -0.01 -1.06 1.42 -0.31 0.98 0.00 0.00 173.24 174.25 3hi9 s TYR 95 N -3.94 2.80 -2.00 5.02 2.02 -1.26 -0.74 117.35 119.25 3hi9 s TYR 95 Ca 0.15 1.24 0.30 0.00 -0.37 0.00 0.00 57.07 58.39 3hi9 s TYR 95 Cb -0.00 -3.88 1.81 0.00 -0.40 0.00 0.00 41.96 39.49 3hi9 s TYR 95 CO 0.02 -2.55 2.14 0.00 -1.57 0.00 0.00 175.55 173.59