#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 4.32 -0.00 1.61 0.52 -1.26 -4.83 118.95 119.31 3hi9 s ARG 19 Ca 0.00 0.94 0.05 0.00 -0.52 0.00 0.00 55.73 56.20 3hi9 s ARG 19 Cb 0.00 -3.54 -0.07 0.00 0.52 0.00 0.00 34.95 31.86 3hi9 s ARG 19 CO 0.00 -0.22 0.15 0.25 0.02 0.00 0.00 175.30 175.50 3hi9 n THR 20 N 4.50 0.00 -3.38 0.02 -2.24 -1.26 -4.46 114.28 107.45 3hi9 n THR 20 Ca 0.02 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.18 3hi9 n THR 20 Cb 0.50 0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 3hi9 n THR 20 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3hi9 s ASN 21 N -2.05 6.49 0.11 3.42 0.02 -1.26 -1.32 114.94 120.35 3hi9 s ASN 21 Ca -0.00 0.58 0.09 0.00 -1.02 0.00 0.00 52.86 52.51 3hi9 s ASN 21 Cb 0.03 -2.24 -0.04 0.00 0.02 0.00 0.00 41.25 39.03 3hi9 s ASN 21 CO 0.20 -0.05 -0.22 -0.76 0.02 0.00 0.00 177.10 176.29 3hi9 s LEU 22 N 1.09 2.31 -0.08 0.60 1.43 0.11 -1.04 118.68 123.10 3hi9 s LEU 22 Ca 0.20 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3hi9 s LEU 22 Cb -0.15 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 3hi9 s LEU 22 CO 0.08 0.08 -0.09 -0.51 0.23 0.00 0.00 176.35 176.14 3hi9 s ILE 23 N -1.19 3.47 -0.18 -0.59 2.07 0.18 -1.20 121.20 123.76 3hi9 s ILE 23 Ca 0.09 -0.55 0.00 0.00 -1.41 0.00 0.00 60.65 58.78 3hi9 s ILE 23 Cb -0.10 -2.42 0.01 0.00 0.13 0.00 0.00 42.46 40.08 3hi9 s ILE 23 CO 0.05 0.57 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.80 3hi9 s VAL 24 N -0.45 2.40 0.18 4.00 1.01 0.07 -2.03 120.40 125.58 3hi9 s VAL 24 Ca 0.06 -0.83 0.05 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 34.20 3hi9 s VAL 24 CO 0.02 0.51 0.20 0.20 0.00 0.00 0.00 175.10 176.03 3hi9 s ASN 25 N 1.22 5.76 -0.97 3.32 0.01 -0.06 -1.36 114.94 122.86 3hi9 s ASN 25 Ca 0.03 -0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.08 3hi9 s ASN 25 Cb -0.14 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 39.96 3hi9 s ASN 25 CO -0.08 0.04 0.83 -1.22 -1.51 0.00 0.00 177.10 175.15 3hi9 n TYR 26 N -0.62 -1.91 -2.45 2.20 4.01 -0.87 -1.75 117.16 115.77 3hi9 n TYR 26 Ca -0.08 0.75 -0.37 0.00 -0.16 0.00 0.00 57.90 58.04 3hi9 n TYR 26 Cb 0.55 -4.25 -0.03 0.00 -0.31 0.00 0.00 39.34 35.30 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 -5.55 4.09 0.63 7.72 1.43 -0.38 -4.45 118.68 122.16 3hi9 s LEU 27 Ca 0.20 2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 55.24 3hi9 s LEU 27 Cb -0.09 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 3hi9 s LEU 27 CO 0.56 -0.64 1.22 -2.16 0.23 0.00 0.00 176.35 175.55 3hi9 s PRO 28 N -2.59 2.74 0.47 1.29 0.04 -1.26 -4.61 135.00 131.07 3hi9 s PRO 28 Ca 0.60 1.83 0.15 0.00 0.04 0.00 0.00 61.00 63.63 3hi9 s PRO 28 Cb -0.24 -1.90 1.12 0.00 0.04 0.00 0.00 34.50 33.53 3hi9 s PRO 28 CO 0.29 -1.39 2.03 0.37 0.04 0.00 0.00 177.00 178.34 3hi9 h GLN 29 N 0.57 0.26 -0.01 4.56 5.75 -1.95 -2.59 115.11 121.70 3hi9 h GLN 29 Ca -0.50 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 3hi9 h GLN 29 Cb 1.30 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.79 3hi9 h GLN 29 CO 0.54 0.17 -0.15 0.27 -2.65 0.00 0.00 178.83 177.01 3hi9 n ASN 30 N -4.47 1.18 -4.72 -0.69 6.94 -1.26 -4.49 115.26 107.75 3hi9 n ASN 30 Ca 0.06 -1.11 -0.42 0.00 -0.02 0.00 0.00 54.58 53.10 3hi9 n ASN 30 Cb 0.32 0.07 -0.03 0.00 -2.36 0.00 0.00 39.78 37.78 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 -2.31 4.38 0.60 -3.83 1.75 -0.98 -5.02 119.30 113.89 3hi9 s MET 31 Ca 0.30 1.96 -0.03 0.00 -1.25 0.00 0.00 55.69 56.67 3hi9 s MET 31 Cb 0.20 -3.27 0.03 0.00 2.84 0.00 0.00 34.83 34.64 3hi9 s MET 31 CO 0.45 -0.32 0.86 0.95 -0.65 0.00 0.00 175.02 176.31 3hi9 s THR 32 N 0.83 2.86 0.24 10.11 -4.23 -1.26 -4.93 115.64 119.27 3hi9 s THR 32 Ca 0.61 -0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 60.66 3hi9 s THR 32 Cb -0.34 -3.14 0.21 0.00 1.34 0.00 0.00 72.50 70.57 3hi9 s THR 32 CO 0.32 -0.12 1.86 -0.61 -0.54 0.00 0.00 174.62 175.52 3hi9 h GLN 33 N -0.16 1.22 -0.53 3.99 4.15 -1.95 -0.36 115.11 121.47 3hi9 h GLN 33 Ca -0.44 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 58.75 3hi9 h GLN 33 Cb 1.29 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 3hi9 h GLN 33 CO 0.57 0.90 0.01 0.22 -1.93 0.00 0.00 178.83 178.60 3hi9 h ASP 34 N 1.22 0.87 -0.50 -0.69 3.58 -1.94 0.48 116.42 119.45 3hi9 h ASP 34 Ca 0.30 -0.22 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 3hi9 h ASP 34 Cb 0.05 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 3hi9 h ASP 34 CO -0.05 0.93 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.90 3hi9 h GLU 35 N 0.84 0.94 0.16 0.28 5.08 -1.88 0.55 114.58 120.54 3hi9 h GLU 35 Ca 0.16 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3hi9 h GLU 35 Cb 0.49 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3hi9 h GLU 35 CO 0.02 0.93 -0.12 1.25 -1.00 0.00 0.00 179.01 180.10 3hi9 h LEU 36 N 0.86 -0.30 -0.44 1.33 5.85 -0.66 -1.50 115.31 120.45 3hi9 h LEU 36 Ca 0.16 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.98 3hi9 h LEU 36 Cb 0.52 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 3hi9 h LEU 36 CO 0.03 -0.19 -0.00 -0.09 -0.34 0.00 0.00 178.44 177.85 3hi9 h ARG 37 N -0.28 0.10 -0.10 1.25 2.43 -0.75 -2.74 114.38 114.29 3hi9 h ARG 37 Ca -0.01 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3hi9 h ARG 37 Cb 0.25 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 3hi9 h ARG 37 CO -0.00 0.07 -0.16 0.77 -1.51 0.00 0.00 179.97 179.13 3hi9 h SER 38 N 0.11 -0.50 -0.26 -3.80 0.02 -0.66 0.23 113.55 108.67 3hi9 h SER 38 Ca 0.22 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.31 3hi9 h SER 38 Cb 0.31 0.23 -0.06 0.00 0.14 0.00 0.00 62.40 63.02 3hi9 h SER 38 CO -0.36 -0.21 -0.13 0.25 -1.14 0.00 0.00 176.83 175.23 3hi9 h LEU 39 N -0.22 -0.45 -0.83 5.07 5.85 -1.12 -1.83 115.31 121.78 3hi9 h LEU 39 Ca 0.09 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 3hi9 h LEU 39 Cb 0.34 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3hi9 h LEU 39 CO -0.23 -0.17 -0.48 -0.26 -0.34 0.00 0.00 178.44 176.96 3hi9 h PHE 40 N -0.10 0.00 0.00 1.25 -1.00 -1.19 -2.82 116.94 113.09 3hi9 h PHE 40 Ca 0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.92 3hi9 h PHE 40 Cb 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.87 3hi9 h PHE 40 CO -0.32 0.48 0.00 0.77 -1.61 0.00 0.00 178.31 177.63 3hi9 h SER 41 N 0.00 0.00 0.67 2.17 0.02 0.28 -2.24 113.55 114.46 3hi9 h SER 41 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hi9 h SER 41 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3hi9 h SER 41 CO 0.06 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 176.52 3hi9 h SER 42 N 0.00 0.00 0.37 3.07 4.64 -1.19 -3.11 113.55 117.33 3hi9 h SER 42 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 3hi9 h SER 42 Cb 0.39 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 3hi9 h SER 42 CO 0.00 0.00 -1.82 -0.38 -0.87 0.00 0.00 176.83 173.76 3hi9 n ILE 43 N -2.82 1.64 -0.01 0.95 2.08 -0.84 -5.07 119.36 115.29 3hi9 n ILE 43 Ca 0.00 -0.76 0.00 0.00 0.56 0.00 0.00 62.75 62.55 3hi9 n ILE 43 Cb 0.22 -1.18 0.00 0.00 -0.75 0.00 0.00 39.64 37.93 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 1.68 -2.00 3.69 7.39 0.00 -1.18 -4.96 105.19 109.81 3hi9 n GLY 44 Ca -0.22 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 3hi9 n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hi9 s GLU 45 N -2.00 4.17 -0.30 1.61 2.02 -1.26 -4.38 118.70 118.55 3hi9 s GLU 45 Ca 0.00 2.46 -0.10 0.00 0.02 0.00 0.00 54.97 57.35 3hi9 s GLU 45 Cb 0.00 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 3hi9 s GLU 45 CO 0.00 -0.80 0.16 0.08 0.02 0.00 0.00 175.26 174.72 3hi9 s VAL 46 N 2.84 4.72 0.04 2.63 1.01 -1.26 -1.59 120.40 128.80 3hi9 s VAL 46 Ca 0.78 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 3hi9 s VAL 46 Cb -0.42 -3.37 -0.17 0.00 0.00 0.00 0.00 36.38 32.42 3hi9 s VAL 46 CO 0.35 0.11 1.49 -0.33 0.00 0.00 0.00 175.10 176.72 3hi9 h GLU 47 N 8.35 -0.31 -3.24 2.72 5.08 -0.53 -3.47 114.58 123.18 3hi9 h GLU 47 Ca -0.33 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 3hi9 h GLU 47 Cb 1.16 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 30.32 3hi9 h GLU 47 CO 0.60 -0.08 -0.18 -1.54 -1.00 0.00 0.00 179.01 176.82 3hi9 s SER 48 N -5.06 -0.18 -0.12 1.42 1.04 -1.00 -4.99 113.70 104.82 3hi9 s SER 48 Ca -0.15 -0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.07 3hi9 s SER 48 Cb 0.04 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.61 3hi9 s SER 48 CO 0.62 -0.67 0.25 0.00 0.98 0.00 0.00 173.24 174.42 3hi9 s ALA 49 N -2.75 -0.53 -0.10 5.32 0.00 -1.26 -0.77 121.76 121.67 3hi9 s ALA 49 Ca -0.04 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3hi9 s ALA 49 Cb -0.00 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.32 3hi9 s ALA 49 CO -0.04 -0.42 -0.10 0.21 0.00 0.00 0.00 175.76 175.40 3hi9 s LYS 50 N 1.86 1.66 -0.10 0.00 2.47 0.04 -4.89 119.74 120.78 3hi9 s LYS 50 Ca -0.04 -0.33 -0.17 0.00 -1.56 0.00 0.00 55.97 53.87 3hi9 s LYS 50 Cb -0.11 -1.58 -0.05 0.00 -1.46 0.00 0.00 37.83 34.64 3hi9 s LYS 50 CO -0.08 -0.17 0.44 -1.17 0.16 0.00 0.00 175.35 174.53 3hi9 s LEU 51 N 1.35 4.31 -0.26 5.43 2.96 -1.26 -0.88 118.68 130.31 3hi9 s LEU 51 Ca -0.01 0.80 -0.24 0.00 -0.22 0.00 0.00 54.13 54.46 3hi9 s LEU 51 Cb -0.14 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 3hi9 s LEU 51 CO -0.05 0.07 0.79 -0.63 -1.32 0.00 0.00 176.35 175.22 3hi9 s ILE 52 N 0.30 4.84 0.34 6.68 -1.09 0.50 -4.99 121.20 127.79 3hi9 s ILE 52 Ca 0.24 1.39 0.08 0.00 -2.23 0.00 0.00 60.65 60.13 3hi9 s ILE 52 Cb -0.15 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 3hi9 s ILE 52 CO 0.10 -0.11 0.21 -0.13 -1.23 0.00 0.00 174.94 173.78 3hi9 s ARG 53 N 2.83 2.52 -0.05 2.79 0.52 -1.26 -0.47 118.95 125.83 3hi9 s ARG 53 Ca 0.33 -1.45 -0.28 0.00 -0.52 0.00 0.00 55.73 53.81 3hi9 s ARG 53 Cb -0.15 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.99 3hi9 s ARG 53 CO 0.09 0.08 0.90 0.34 0.02 0.00 0.00 175.30 176.73 3hi9 s ASP 54 N -3.92 7.22 0.21 0.23 2.15 0.79 -4.75 116.67 118.60 3hi9 s ASP 54 Ca 0.40 1.48 -0.09 0.00 0.43 0.00 0.00 52.55 54.76 3hi9 s ASP 54 Cb -0.04 -2.52 0.31 0.00 -0.30 0.00 0.00 42.92 40.37 3hi9 s ASP 54 CO 0.24 -0.26 1.72 0.50 -0.17 0.00 0.00 175.17 177.21 3hi9 h LYS 55 N 6.88 0.33 0.00 4.34 3.11 -1.97 -2.32 116.57 126.93 3hi9 h LYS 55 Ca -0.39 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.43 3hi9 h LYS 55 Cb 1.20 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 3hi9 h LYS 55 CO 0.77 0.22 0.00 0.28 -2.81 0.00 0.00 179.45 177.91 3hi9 n VAL 56 N -5.06 0.00 0.00 2.00 0.31 -1.26 -4.47 118.33 109.85 3hi9 n VAL 56 Ca 0.09 0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 3hi9 n VAL 56 Cb 0.31 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 3hi9 n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hi9 n ALA 57 N -1.98 1.35 -2.28 3.52 0.00 -1.26 -4.82 120.51 115.04 3hi9 n ALA 57 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3hi9 n ALA 57 Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.30 3.73 0.00 0.00 -0.87 -4.95 105.19 101.77 3hi9 n GLY 58 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3hi9 n GLY 58 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hi9 s HIS 59 N -2.35 2.90 0.39 1.61 -3.43 -1.26 -4.79 115.29 108.36 3hi9 s HIS 59 Ca 0.00 -0.16 -0.27 0.00 -0.80 0.00 0.00 55.06 53.83 3hi9 s HIS 59 Cb 0.00 -1.31 -0.10 0.00 -1.43 0.00 0.00 32.58 29.75 3hi9 s HIS 59 CO 0.00 0.57 1.42 0.45 -2.00 0.00 0.00 174.74 175.18 3hi9 s SER 60 N -3.68 6.28 0.00 7.38 0.15 -1.26 -0.15 113.70 122.42 3hi9 s SER 60 Ca 0.32 2.92 0.19 0.00 0.70 0.00 0.00 55.95 60.07 3hi9 s SER 60 Cb -0.07 -2.66 0.55 0.00 -1.71 0.00 0.00 66.02 62.13 3hi9 s SER 60 CO 0.22 -0.90 1.44 0.18 1.20 0.00 0.00 173.24 175.38 3hi9 n LEU 61 N 0.30 2.42 -0.56 3.45 4.77 0.38 -4.77 117.00 122.99 3hi9 n LEU 61 Ca 0.02 -1.10 -0.05 0.00 -0.03 0.00 0.00 56.01 54.85 3hi9 n LEU 61 Cb 0.41 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hi9 n LEU 61 CO 0.61 0.55 -0.06 0.61 -1.33 0.00 0.00 177.39 177.77 3hi9 n GLY 62 N 1.27 0.23 3.45 -0.72 0.00 -1.26 -4.97 105.19 103.19 3hi9 n GLY 62 Ca 0.17 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.25 -0.24 0.27 1.61 1.13 -1.26 -1.25 117.35 115.36 3hi9 s TYR 63 Ca 0.00 -0.07 -0.20 0.00 -1.41 0.00 0.00 57.07 55.38 3hi9 s TYR 63 Cb 0.00 0.40 0.02 0.00 -1.10 0.00 0.00 41.96 41.28 3hi9 s TYR 63 CO 0.00 -0.85 0.69 0.20 -2.51 0.00 0.00 175.55 173.08 3hi9 s GLY 64 N -2.83 -0.08 -0.06 5.49 0.00 -0.46 -0.37 107.32 109.01 3hi9 s GLY 64 Ca 0.06 -0.29 0.04 0.00 0.00 0.00 0.00 44.72 44.52 3hi9 s GLY 64 CO -0.07 -0.11 -0.17 -1.36 0.00 0.00 0.00 173.10 171.38 3hi9 s PHE 65 N -3.91 1.81 -0.06 1.90 0.08 -0.06 -0.75 117.98 116.98 3hi9 s PHE 65 Ca 0.11 -0.59 0.02 0.00 0.12 0.00 0.00 56.93 56.59 3hi9 s PHE 65 Cb -0.05 -1.23 0.01 0.00 -0.57 0.00 0.00 43.02 41.18 3hi9 s PHE 65 CO 0.05 -0.23 -0.12 0.08 -0.10 0.00 0.00 175.22 174.91 3hi9 s VAL 66 N 0.21 1.07 -0.18 -0.44 1.01 -0.34 -0.78 120.40 120.95 3hi9 s VAL 66 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3hi9 s VAL 66 Cb -0.13 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.28 3hi9 s VAL 66 CO 0.04 0.34 -0.19 0.20 0.00 0.00 0.00 175.10 175.48 3hi9 s ASN 67 N 0.62 3.22 0.36 3.32 0.02 0.05 0.09 114.94 122.62 3hi9 s ASN 67 Ca -0.13 -0.63 -0.08 0.00 -1.02 0.00 0.00 52.86 51.00 3hi9 s ASN 67 Cb -0.15 -1.50 -0.06 0.00 0.02 0.00 0.00 41.25 39.56 3hi9 s ASN 67 CO 0.03 -0.00 0.69 -0.31 0.02 0.00 0.00 177.10 177.53 3hi9 s TYR 68 N 1.30 3.47 0.19 2.20 1.51 -0.44 0.18 117.35 125.77 3hi9 s TYR 68 Ca 0.05 0.88 -0.09 0.00 -1.01 0.00 0.00 57.07 56.90 3hi9 s TYR 68 Cb -0.13 -2.31 0.11 0.00 -0.11 0.00 0.00 41.96 39.53 3hi9 s TYR 68 CO -0.12 -0.00 1.73 0.28 -1.11 0.00 0.00 175.55 176.32 3hi9 h VAL 69 N 1.17 1.26 -4.16 0.71 2.07 -1.63 -3.43 116.25 112.24 3hi9 h VAL 69 Ca -0.47 -0.88 -0.65 0.00 0.82 0.00 0.00 66.70 65.52 3hi9 h VAL 69 Cb 1.19 0.50 -0.25 0.00 -1.52 0.00 0.00 31.29 31.21 3hi9 h VAL 69 CO 0.65 0.34 -0.86 0.42 0.02 0.00 0.00 177.57 178.14 3hi9 s THR 70 N -5.42 1.98 0.26 2.57 -4.23 -1.26 -5.03 115.64 104.50 3hi9 s THR 70 Ca -0.12 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 58.94 3hi9 s THR 70 Cb 0.14 -1.72 0.18 0.00 1.34 0.00 0.00 72.50 72.45 3hi9 s THR 70 CO 0.83 0.23 1.84 0.00 -0.54 0.00 0.00 174.62 176.98 3hi9 h ALA 71 N 4.60 1.19 -0.94 3.99 0.00 -1.87 -2.40 119.26 123.83 3hi9 h ALA 71 Ca -0.46 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.30 3hi9 h ALA 71 Cb 1.16 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3hi9 h ALA 71 CO 0.43 0.60 0.62 -0.22 0.00 0.00 0.00 179.25 180.67 3hi9 h LYS 72 N 1.02 1.20 -0.37 0.00 1.63 -1.96 -1.40 116.57 116.70 3hi9 h LYS 72 Ca 0.24 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.85 3hi9 h LYS 72 Cb 0.17 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 3hi9 h LYS 72 CO -0.02 0.80 -0.23 -0.44 -3.45 0.00 0.00 179.45 176.10 3hi9 h ASP 73 N 1.24 0.74 -0.49 4.20 3.32 -1.81 -1.05 116.42 122.58 3hi9 h ASP 73 Ca 0.35 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3hi9 h ASP 73 Cb -0.09 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3hi9 h ASP 73 CO -0.09 0.95 0.12 0.00 -1.72 0.00 0.00 179.24 178.51 3hi9 h ALA 74 N 1.10 0.65 -0.54 3.45 0.00 -1.22 0.20 119.26 122.90 3hi9 h ALA 74 Ca 0.09 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hi9 h ALA 74 Cb 0.73 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3hi9 h ALA 74 CO 0.06 0.33 0.31 1.49 0.00 0.00 0.00 179.25 181.44 3hi9 h GLU 75 N 0.67 0.60 -0.44 0.00 4.81 -1.18 -1.98 114.58 117.06 3hi9 h GLU 75 Ca 0.15 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3hi9 h GLU 75 Cb 0.32 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3hi9 h GLU 75 CO 0.00 0.40 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.51 3hi9 h ARG 76 N 0.62 0.78 -0.53 1.92 2.43 -0.83 -2.32 114.38 116.44 3hi9 h ARG 76 Ca 0.22 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3hi9 h ARG 76 Cb 0.05 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3hi9 h ARG 76 CO -0.11 0.84 0.22 0.00 -1.51 0.00 0.00 179.97 179.41 3hi9 h ALA 77 N 1.20 0.69 0.19 2.80 0.00 -0.20 -0.61 119.26 123.33 3hi9 h ALA 77 Ca 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hi9 h ALA 77 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3hi9 h ALA 77 CO 0.03 0.29 -0.26 0.82 0.00 0.00 0.00 179.25 180.14 3hi9 h ILE 78 N 0.72 0.44 -0.07 0.00 2.04 -1.15 0.39 117.51 119.88 3hi9 h ILE 78 Ca 0.18 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 3hi9 h ILE 78 Cb 0.18 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3hi9 h ILE 78 CO -0.02 0.00 -0.06 0.78 0.00 0.00 0.00 178.15 178.86 3hi9 h ASN 79 N -0.51 0.09 0.13 1.72 -0.26 -1.19 -1.43 115.58 114.13 3hi9 h ASN 79 Ca 0.01 -0.01 -0.33 0.00 -0.56 0.00 0.00 56.30 55.41 3hi9 h ASN 79 Cb 0.50 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 3hi9 h ASN 79 CO -0.10 0.17 -1.76 0.74 -1.06 0.00 0.00 177.43 175.42 3hi9 h THR 80 N 0.10 0.80 0.00 2.81 2.02 -0.87 -3.42 112.91 114.35 3hi9 h THR 80 Ca 0.02 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.83 3hi9 h THR 80 Cb 0.17 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 3hi9 h THR 80 CO 0.01 0.80 -1.46 0.18 0.37 0.00 0.00 175.52 175.42 3hi9 n LEU 81 N -3.69 0.15 -4.70 2.58 4.77 0.13 -4.75 117.00 111.50 3hi9 n LEU 81 Ca -0.29 -0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 3hi9 n LEU 81 Cb 0.99 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.05 3hi9 n LEU 81 CO 0.42 0.04 1.43 0.21 -1.33 0.00 0.00 177.39 178.16 3hi9 s ASN 82 N -3.41 6.41 0.00 -1.43 2.47 -0.55 -1.44 114.94 116.99 3hi9 s ASN 82 Ca -0.03 2.80 0.00 0.00 0.42 0.00 0.00 52.86 56.05 3hi9 s ASN 82 Cb 0.10 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 3hi9 s ASN 82 CO 0.61 -0.99 0.00 0.61 -3.72 0.00 0.00 177.10 173.61 3hi9 n GLY 83 N 4.13 0.94 3.73 1.21 0.00 0.39 -4.94 105.19 110.64 3hi9 n GLY 83 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 4.37 -0.21 0.99 2.96 -0.52 -4.59 118.68 121.68 3hi9 s LEU 84 Ca 0.00 2.62 -0.21 0.00 -0.22 0.00 0.00 54.13 56.32 3hi9 s LEU 84 Cb 0.00 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 3hi9 s LEU 84 CO 0.00 -0.77 0.64 -0.60 -1.32 0.00 0.00 176.35 174.30 3hi9 s ARG 85 N 0.54 4.19 -0.23 1.98 3.52 -1.26 -1.24 118.95 126.45 3hi9 s ARG 85 Ca 0.65 0.63 0.01 0.00 -0.13 0.00 0.00 55.73 56.89 3hi9 s ARG 85 Cb -0.43 -3.59 0.06 0.00 -1.56 0.00 0.00 34.95 29.43 3hi9 s ARG 85 CO 0.36 -0.29 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.98 3hi9 s LEU 86 N 2.06 2.62 0.00 -0.88 1.43 0.18 -5.00 118.68 119.09 3hi9 s LEU 86 Ca 0.29 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 3hi9 s LEU 86 Cb -0.16 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3hi9 s LEU 86 CO 0.10 -0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.47 3hi9 n GLN 87 N 4.64 0.00 0.00 1.70 6.02 -1.26 -2.00 117.38 126.48 3hi9 n GLN 87 Ca -0.13 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 56.98 3hi9 n GLN 87 Cb 0.44 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.85 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 7.94 2.56 -4.39 1.08 3.41 -1.26 -4.93 113.62 118.02 3hi9 n SER 88 Ca 0.00 -1.81 -0.27 0.00 -0.26 0.00 0.00 58.87 56.53 3hi9 n SER 88 Cb 0.00 0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 63.92 3hi9 n SER 88 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hi9 s LYS 89 N -2.11 1.43 -0.34 4.33 -0.14 -0.85 -5.11 119.74 116.95 3hi9 s LYS 89 Ca 0.27 -1.43 -0.20 0.00 -1.36 0.00 0.00 55.97 53.26 3hi9 s LYS 89 Cb 0.20 -1.79 -0.00 0.00 -1.68 0.00 0.00 37.83 34.56 3hi9 s LYS 89 CO 0.36 0.40 0.61 0.99 -0.76 0.00 0.00 175.35 176.95 3hi9 s THR 90 N -1.44 4.93 0.53 2.17 2.01 -1.26 -0.64 115.64 121.92 3hi9 s THR 90 Ca 0.17 0.62 -0.18 0.00 0.31 0.00 0.00 61.69 62.61 3hi9 s THR 90 Cb -0.09 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 3hi9 s THR 90 CO 0.08 -0.24 1.02 0.27 -0.69 0.00 0.00 174.62 175.06 3hi9 s ILE 91 N 2.62 4.02 -0.11 1.82 -4.36 -0.37 -4.84 121.20 119.98 3hi9 s ILE 91 Ca 0.24 1.08 0.01 0.00 -0.26 0.00 0.00 60.65 61.72 3hi9 s ILE 91 Cb -0.15 -3.50 -0.01 0.00 1.25 0.00 0.00 42.46 40.05 3hi9 s ILE 91 CO 0.14 -0.44 -0.16 -0.54 0.24 0.00 0.00 174.94 174.18 3hi9 s LYS 92 N -3.72 3.21 -0.12 0.37 -0.14 -0.72 -0.46 119.74 118.17 3hi9 s LYS 92 Ca 0.64 -0.73 0.02 0.00 -1.36 0.00 0.00 55.97 54.53 3hi9 s LYS 92 Cb -0.14 -2.52 0.01 0.00 -1.68 0.00 0.00 37.83 33.50 3hi9 s LYS 92 CO 0.28 0.25 -0.16 0.08 -0.76 0.00 0.00 175.35 175.04 3hi9 s VAL 93 N 0.24 1.57 0.20 3.17 1.01 -1.26 -0.88 120.40 124.44 3hi9 s VAL 93 Ca -0.11 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3hi9 s VAL 93 Cb -0.16 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 3hi9 s VAL 93 CO 0.06 0.45 0.36 -0.94 0.00 0.00 0.00 175.10 175.04 3hi9 s SER 94 N 1.01 -0.03 0.39 3.32 1.04 -0.86 -4.75 113.70 113.82 3hi9 s SER 94 Ca -0.06 -0.89 -0.27 0.00 0.48 0.00 0.00 55.95 55.22 3hi9 s SER 94 Cb -0.15 0.50 -0.10 0.00 0.10 0.00 0.00 66.02 66.37 3hi9 s SER 94 CO -0.02 -0.99 1.42 -0.31 0.98 0.00 0.00 173.24 174.32 3hi9 s TYR 95 N -3.99 2.65 -2.49 5.02 2.02 -1.26 -0.64 117.35 118.66 3hi9 s TYR 95 Ca 0.20 1.26 0.23 0.00 -0.37 0.00 0.00 57.07 58.39 3hi9 s TYR 95 Cb 0.02 -3.91 0.44 0.00 -0.40 0.00 0.00 41.96 38.11 3hi9 s TYR 95 CO 0.04 -2.71 1.41 0.00 -1.57 0.00 0.00 175.55 172.71 3hi9 n ALA 96 N 0.30 2.42 -3.62 3.71 0.00 -0.21 -4.57 120.51 118.54 3hi9 n ALA 96 Ca 0.02 -1.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.18 3hi9 n ALA 96 Cb 0.41 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 3hi9 n ALA 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hi9 s ARG 97 N -1.50 1.10 -0.47 0.00 1.81 -1.26 -5.00 118.95 113.63 3hi9 s ARG 97 Ca 0.39 -1.89 -0.43 0.00 -1.72 0.00 0.00 55.73 52.08 3hi9 s ARG 97 Cb 0.23 -2.01 -0.18 0.00 -0.45 0.00 0.00 34.95 32.55 3hi9 s ARG 97 CO 0.32 -1.20 2.14 -2.30 -0.68 0.00 0.00 175.30 173.58 3hi9 n PRO 98 N 3.54 0.18 0.00 3.54 -0.02 -1.26 -5.08 135.00 135.90 3hi9 n PRO 98 Ca 0.12 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3hi9 n PRO 98 Cb 0.37 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3hi9 n PRO 98 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93