#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi2 s LYS 2 N 0.00 3.76 0.24 3.17 1.02 -1.26 -1.14 119.74 125.52 3hi2 s LYS 2 Ca 0.00 0.22 -0.32 0.00 0.02 0.00 0.00 55.97 55.90 3hi2 s LYS 2 Cb 0.00 -2.64 -0.13 0.00 -0.52 0.00 0.00 37.83 34.54 3hi2 s LYS 2 CO 0.00 0.28 1.55 0.00 -0.92 0.00 0.00 175.35 176.27 3hi2 n PRO 4 N 2.66 0.21 -0.10 0.00 -0.02 -1.26 -1.35 135.00 135.14 3hi2 n PRO 4 Ca 0.12 0.42 -0.16 0.00 -2.02 0.00 0.00 63.50 61.87 3hi2 n PRO 4 Cb 0.33 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 3hi2 n PRO 4 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hi2 n VAL 5 N -2.27 1.44 0.30 -1.45 0.31 -1.26 -4.68 118.33 110.72 3hi2 n VAL 5 Ca 0.02 -0.05 0.12 0.00 -0.01 0.00 0.00 64.34 64.42 3hi2 n VAL 5 Cb 0.24 -2.10 0.15 0.00 -0.91 0.00 0.00 33.84 31.22 3hi2 n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hi2 n HIS 7 N -2.69 0.00 0.01 0.00 -0.00 -0.45 -4.81 115.22 107.28 3hi2 n HIS 7 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 3hi2 n HIS 7 Cb 0.51 -3.36 0.00 0.00 -0.00 0.00 0.00 29.99 27.13 3hi2 n HIS 7 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3hi2 n GLN 8 N -2.25 0.00 -2.37 -0.41 6.02 -1.26 -4.80 117.38 112.31 3hi2 n GLN 8 Ca -0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.38 3hi2 n GLN 8 Cb 0.67 -0.42 -0.03 0.00 1.02 0.00 0.00 30.24 31.47 3hi2 n GLN 8 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3hi2 s GLY 9 N -4.91 2.78 0.45 1.08 0.00 -1.26 -4.74 107.32 100.72 3hi2 s GLY 9 Ca 0.00 0.97 -0.24 0.00 0.00 0.00 0.00 44.72 45.45 3hi2 s GLY 9 CO 0.00 1.79 1.26 1.85 0.00 0.00 0.00 173.10 178.00 3hi2 s GLU 10 N -0.63 3.75 -0.14 2.90 2.56 -1.26 -0.47 118.70 125.41 3hi2 s GLU 10 Ca 0.51 2.04 -0.14 0.00 0.00 0.00 0.00 54.97 57.38 3hi2 s GLU 10 Cb -0.33 -2.55 -0.05 0.00 2.00 0.00 0.00 34.13 33.20 3hi2 s GLU 10 CO 0.39 -0.64 0.32 -1.64 -0.56 0.00 0.00 175.26 173.13 3hi2 s MET 11 N -2.51 4.19 -0.09 4.30 -1.94 -0.30 -2.41 119.30 120.55 3hi2 s MET 11 Ca 0.62 0.15 0.03 0.00 -1.71 0.00 0.00 55.69 54.78 3hi2 s MET 11 Cb -0.35 -3.40 0.01 0.00 2.01 0.00 0.00 34.83 33.10 3hi2 s MET 11 CO 0.44 0.30 -0.17 0.08 -0.01 0.00 0.00 175.02 175.65 3hi2 s VAL 12 N 0.27 1.58 0.25 -6.03 1.01 -0.13 -4.62 120.40 112.73 3hi2 s VAL 12 Ca 0.18 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 3hi2 s VAL 12 Cb -0.13 -1.41 -0.12 0.00 0.00 0.00 0.00 36.38 34.71 3hi2 s VAL 12 CO 0.05 0.46 1.55 -1.20 0.00 0.00 0.00 175.10 175.96 3hi2 n SER 13 N 3.86 3.47 -0.88 3.32 7.64 -1.26 -0.98 113.62 128.80 3hi2 n SER 13 Ca -0.20 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.81 3hi2 n SER 13 Cb 0.52 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 3hi2 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hi2 n GLY 14 N 2.50 0.56 3.10 0.23 0.00 -0.06 -4.91 105.19 106.60 3hi2 n GLY 14 Ca 0.11 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 3hi2 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hi2 s ILE 15 N -2.08 1.12 0.03 -0.61 -1.09 -1.26 -1.79 121.20 115.52 3hi2 s ILE 15 Ca 0.00 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 57.82 3hi2 s ILE 15 Cb 0.00 -0.95 -0.03 0.00 -1.58 0.00 0.00 42.46 39.91 3hi2 s ILE 15 CO 0.00 0.32 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.48 3hi2 s LYS 16 N -0.20 0.45 -0.22 2.79 1.02 -0.68 -4.93 119.74 117.96 3hi2 s LYS 16 Ca 0.03 -0.84 -0.19 0.00 0.02 0.00 0.00 55.97 54.99 3hi2 s LYS 16 Cb -0.07 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.37 3hi2 s LYS 16 CO 0.00 -0.08 0.56 -0.51 -0.92 0.00 0.00 175.35 174.40 3hi2 s ASP 17 N -2.05 6.56 -0.25 2.83 1.01 -1.26 -1.14 116.67 122.37 3hi2 s ASP 17 Ca -0.07 0.68 -0.03 0.00 0.71 0.00 0.00 52.55 53.84 3hi2 s ASP 17 Cb -0.03 -2.31 0.02 0.00 1.01 0.00 0.00 42.92 41.61 3hi2 s ASP 17 CO -0.05 -0.27 -0.03 -0.63 0.21 0.00 0.00 175.17 174.41 3hi2 s ILE 18 N 2.03 3.20 0.47 0.77 1.01 0.06 -4.88 121.20 123.86 3hi2 s ILE 18 Ca 0.25 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 59.81 3hi2 s ILE 18 Cb -0.16 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.65 3hi2 s ILE 18 CO 0.09 0.22 1.41 -2.84 0.00 0.00 0.00 174.94 173.83 3hi2 s PRO 19 N 1.39 3.58 -0.11 2.79 0.02 -1.26 -0.55 135.00 140.86 3hi2 s PRO 19 Ca 0.02 2.38 -0.06 0.00 0.02 0.00 0.00 61.00 63.36 3hi2 s PRO 19 Cb -0.16 -2.58 0.05 0.00 0.02 0.00 0.00 34.50 31.82 3hi2 s PRO 19 CO -0.03 -0.89 0.26 -0.47 -0.33 0.00 0.00 177.00 175.54 3hi2 s TYR 20 N -1.22 -0.35 0.07 6.54 5.04 -0.75 -4.88 117.35 121.81 3hi2 s TYR 20 Ca 0.63 0.82 0.10 0.00 -2.44 0.00 0.00 57.07 56.17 3hi2 s TYR 20 Cb -0.43 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 41.92 3hi2 s TYR 20 CO 0.55 -0.23 -0.25 0.95 -1.34 0.00 0.00 175.55 175.22 3hi2 s THR 21 N 1.17 2.28 -0.24 4.34 -4.23 -1.26 -1.22 115.64 116.48 3hi2 s THR 21 Ca -0.08 -1.48 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 3hi2 s THR 21 Cb -0.09 -1.94 0.11 0.00 1.34 0.00 0.00 72.50 71.92 3hi2 s THR 21 CO -0.08 0.27 0.50 0.12 -0.54 0.00 0.00 174.62 174.89 3hi2 s PHE 22 N -0.91 -1.02 -1.41 3.99 5.36 0.88 -4.97 117.98 119.90 3hi2 s PHE 22 Ca 0.13 1.75 -0.00 0.00 -0.96 0.00 0.00 56.93 57.85 3hi2 s PHE 22 Cb -0.10 0.46 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 3hi2 s PHE 22 CO 0.04 -0.58 0.42 0.54 -1.46 0.00 0.00 175.22 174.18 3hi2 n ARG 23 N 5.41 -3.31 -1.09 10.12 1.74 -1.26 -1.18 116.66 127.09 3hi2 n ARG 23 Ca -0.09 0.41 -0.03 0.00 -0.77 0.00 0.00 57.85 57.37 3hi2 n ARG 23 Cb 0.49 -4.54 -0.01 0.00 -1.02 0.00 0.00 32.46 27.38 3hi2 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hi2 n GLY 24 N -1.97 0.61 3.29 -0.13 0.00 -1.26 -5.02 105.19 100.71 3hi2 n GLY 24 Ca -0.31 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 3hi2 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hi2 s ARG 25 N -1.65 1.18 0.08 1.61 1.81 -0.33 -5.16 118.95 116.48 3hi2 s ARG 25 Ca 0.00 -1.53 -0.09 0.00 -1.72 0.00 0.00 55.73 52.39 3hi2 s ARG 25 Cb 0.00 -0.74 -0.00 0.00 -0.45 0.00 0.00 34.95 33.76 3hi2 s ARG 25 CO 0.00 0.07 0.18 -1.59 -0.68 0.00 0.00 175.30 173.28 3hi2 s LYS 26 N -3.75 0.80 0.31 3.54 -2.85 -1.26 -0.09 119.74 116.44 3hi2 s LYS 26 Ca 0.20 -0.89 -0.05 0.00 -1.00 0.00 0.00 55.97 54.24 3hi2 s LYS 26 Cb 0.02 0.32 -0.00 0.00 -2.06 0.00 0.00 37.83 36.12 3hi2 s LYS 26 CO 0.04 -0.25 0.45 -0.08 0.10 0.00 0.00 175.35 175.61 3hi2 s THR 27 N -3.55 0.00 -0.12 3.79 -1.32 -0.35 -5.01 115.64 109.07 3hi2 s THR 27 Ca 0.03 -1.59 0.01 0.00 -1.21 0.00 0.00 61.69 58.93 3hi2 s THR 27 Cb 0.04 -2.53 0.02 0.00 -1.51 0.00 0.00 72.50 68.51 3hi2 s THR 27 CO -0.09 0.00 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.48 3hi2 s VAL 28 N -3.36 1.54 -0.33 5.08 1.01 -1.26 -1.80 120.40 121.28 3hi2 s VAL 28 Ca 0.29 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.36 3hi2 s VAL 28 Cb 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.97 3hi2 s VAL 28 CO 0.17 0.45 0.96 -0.76 0.00 0.00 0.00 175.10 175.92 3hi2 s LEU 29 N 1.15 3.99 0.08 3.92 1.43 0.28 -4.84 118.68 124.70 3hi2 s LEU 29 Ca -0.03 0.81 -0.20 0.00 -1.03 0.00 0.00 54.13 53.68 3hi2 s LEU 29 Cb -0.14 -3.34 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 3hi2 s LEU 29 CO -0.05 -0.81 0.60 -0.54 0.23 0.00 0.00 176.35 175.78 3hi2 s LYS 30 N 3.42 4.25 -1.32 1.70 3.01 -1.26 -0.76 119.74 128.79 3hi2 s LYS 30 Ca 0.40 0.79 -0.05 0.00 -1.01 0.00 0.00 55.97 56.10 3hi2 s LYS 30 Cb -0.13 -3.25 0.02 0.00 -1.01 0.00 0.00 37.83 33.46 3hi2 s LYS 30 CO 0.16 0.61 1.01 0.41 0.51 0.00 0.00 175.35 178.05 3hi2 n GLY 31 N 1.75 -0.43 3.64 -3.33 0.00 -1.22 -4.93 105.19 100.67 3hi2 n GLY 31 Ca -0.10 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3hi2 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hi2 s ILE 32 N -3.39 4.37 0.14 -0.61 -1.09 -0.30 -4.84 121.20 115.49 3hi2 s ILE 32 Ca 0.28 1.57 -0.27 0.00 -2.23 0.00 0.00 60.65 60.00 3hi2 s ILE 32 Cb -0.13 -4.32 -0.07 0.00 -1.58 0.00 0.00 42.46 36.36 3hi2 s ILE 32 CO 0.76 -0.48 0.86 -2.28 -1.23 0.00 0.00 174.94 172.56 3hi2 s HIS 33 N 3.90 3.87 -0.01 3.97 2.46 -1.26 -1.69 115.29 126.53 3hi2 s HIS 33 Ca 0.49 1.71 0.00 0.00 0.47 0.00 0.00 55.06 57.73 3hi2 s HIS 33 Cb -0.14 -2.90 0.00 0.00 -0.13 0.00 0.00 32.58 29.42 3hi2 s HIS 33 CO 0.18 0.38 0.00 0.41 -2.47 0.00 0.00 174.74 173.24 3hi2 n GLY 34 N 1.89 -1.20 3.51 1.59 0.00 -0.74 -4.87 105.19 105.37 3hi2 n GLY 34 Ca -0.02 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 3hi2 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hi2 s LEU 35 N 0.00 4.48 -0.17 0.99 1.43 -0.34 -0.88 118.68 124.18 3hi2 s LEU 35 Ca 0.00 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 3hi2 s LEU 35 Cb 0.00 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3hi2 s LEU 35 CO 0.00 -0.24 -0.00 -0.31 0.23 0.00 0.00 176.35 176.03 3hi2 s TYR 36 N 1.70 3.08 0.30 0.29 2.02 -0.15 -0.54 117.35 124.05 3hi2 s TYR 36 Ca 0.06 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.22 3hi2 s TYR 36 Cb -0.17 -2.02 -0.11 0.00 -0.40 0.00 0.00 41.96 39.25 3hi2 s TYR 36 CO 0.10 -0.04 1.56 0.00 -1.57 0.00 0.00 175.55 175.60 3hi2 n VAL 38 N 2.01 0.00 -0.07 0.00 0.24 -1.01 -4.31 118.33 115.19 3hi2 n VAL 38 Ca 0.07 -0.04 -0.11 0.00 -2.04 0.00 0.00 64.34 62.22 3hi2 n VAL 38 Cb 0.38 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.55 3hi2 n VAL 38 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3hi2 n HIS 39 N -1.16 0.00 -4.34 6.34 -0.00 -1.26 -5.02 115.22 109.78 3hi2 n HIS 39 Ca 0.11 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.69 3hi2 n HIS 39 Cb 0.30 -0.52 -0.03 0.00 -0.00 0.00 0.00 29.99 29.73 3hi2 n HIS 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hi2 n GLU 41 N -0.57 1.88 -1.70 0.00 1.02 -1.26 -4.42 120.64 115.58 3hi2 n GLU 41 Ca -0.09 -1.32 -0.34 0.00 -0.02 0.00 0.00 57.16 55.38 3hi2 n GLU 41 Cb 0.29 -1.41 0.06 0.00 -0.02 0.00 0.00 31.44 30.37 3hi2 n GLU 41 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3hi2 s GLU 42 N -1.72 2.61 0.11 3.49 2.56 -1.26 -4.85 118.70 119.64 3hi2 s GLU 42 Ca 0.33 1.61 -0.02 0.00 0.00 0.00 0.00 54.97 56.89 3hi2 s GLU 42 Cb 0.18 -1.91 -0.04 0.00 2.00 0.00 0.00 34.13 34.37 3hi2 s GLU 42 CO 0.27 -1.44 0.06 -1.54 -0.56 0.00 0.00 175.26 172.04 3hi2 s SER 43 N -2.17 0.33 -0.03 -1.70 1.04 -1.26 -1.35 113.70 108.55 3hi2 s SER 43 Ca 0.72 -1.13 0.06 0.00 0.48 0.00 0.00 55.95 56.08 3hi2 s SER 43 Cb -0.25 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 3hi2 s SER 43 CO 0.41 -0.71 -0.21 -0.63 0.98 0.00 0.00 173.24 173.08 3hi2 s ILE 44 N -4.01 1.66 0.01 -1.02 1.01 0.30 -4.95 121.20 114.20 3hi2 s ILE 44 Ca 0.19 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3hi2 s ILE 44 Cb 0.07 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 3hi2 s ILE 44 CO -0.01 0.47 -0.06 -0.04 0.00 0.00 0.00 174.94 175.30 3hi2 s MET 45 N -0.26 0.44 0.64 2.79 -1.94 -1.26 -1.20 119.30 118.51 3hi2 s MET 45 Ca 0.02 -0.33 -0.11 0.00 -1.71 0.00 0.00 55.69 53.56 3hi2 s MET 45 Cb -0.10 -0.37 0.15 0.00 2.01 0.00 0.00 34.83 36.52 3hi2 s MET 45 CO 0.01 0.09 0.86 0.27 -0.01 0.00 0.00 175.02 176.25 3hi2 n ASN 46 N 2.57 0.05 0.04 3.03 0.23 -1.26 -4.74 115.26 115.18 3hi2 n ASN 46 Ca -0.15 -1.31 -0.11 0.00 -0.53 0.00 0.00 54.58 52.47 3hi2 n ASN 46 Cb 0.57 -0.66 -0.06 0.00 -2.08 0.00 0.00 39.78 37.55 3hi2 n ASN 46 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3hi2 h LYS 47 N 0.00 -0.07 -0.20 -3.83 3.64 -2.01 0.61 116.57 114.71 3hi2 h LYS 47 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3hi2 h LYS 47 Cb 0.77 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3hi2 h LYS 47 CO 0.20 -0.05 0.13 1.49 -2.27 0.00 0.00 179.45 178.95 3hi2 h GLU 48 N -0.07 0.27 -0.65 1.90 4.81 -1.99 -0.29 114.58 118.56 3hi2 h GLU 48 Ca 0.02 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3hi2 h GLU 48 Cb 0.10 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3hi2 h GLU 48 CO -0.05 0.21 0.35 0.93 -0.73 0.00 0.00 179.01 179.71 3hi2 h GLU 49 N 0.25 0.91 -0.06 1.92 5.08 -1.87 -1.95 114.58 118.87 3hi2 h GLU 49 Ca 0.07 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hi2 h GLU 49 Cb 0.00 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3hi2 h GLU 49 CO -0.01 0.70 0.03 0.77 -1.00 0.00 0.00 179.01 179.49 3hi2 h SER 50 N 0.89 0.08 -0.64 1.42 0.02 -0.53 -1.40 113.55 113.39 3hi2 h SER 50 Ca 0.23 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3hi2 h SER 50 Cb 0.06 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3hi2 h SER 50 CO -0.03 0.17 0.41 0.44 -1.14 0.00 0.00 176.83 176.68 3hi2 h ASP 51 N -0.03 0.68 -0.43 3.07 3.32 -1.02 -0.27 116.42 121.74 3hi2 h ASP 51 Ca 0.02 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 3hi2 h ASP 51 Cb 0.12 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3hi2 h ASP 51 CO -0.00 0.48 -0.05 0.00 -1.72 0.00 0.00 179.24 177.95 3hi2 h ALA 52 N 1.26 0.59 0.02 3.45 0.00 -1.18 -1.03 119.26 122.36 3hi2 h ALA 52 Ca 0.25 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hi2 h ALA 52 Cb -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3hi2 h ALA 52 CO -0.08 0.43 -0.24 0.35 0.00 0.00 0.00 179.25 179.71 3hi2 h PHE 53 N 0.63 -0.65 0.00 0.00 3.57 -1.08 -2.29 116.94 117.13 3hi2 h PHE 53 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3hi2 h PHE 53 Cb 0.57 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 3hi2 h PHE 53 CO 0.04 -0.33 -0.21 0.52 -2.23 0.00 0.00 178.31 176.10 3hi2 h MET 54 N -0.39 0.00 -0.38 1.11 2.86 -0.86 -0.14 114.93 117.13 3hi2 h MET 54 Ca 0.06 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.56 3hi2 h MET 54 Cb 0.46 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3hi2 h MET 54 CO -0.20 0.21 -0.32 0.00 1.06 0.00 0.00 176.91 177.65 3hi2 h ALA 55 N 1.79 0.71 -0.23 6.32 0.00 -0.94 0.31 119.26 127.21 3hi2 h ALA 55 Ca -0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 3hi2 h ALA 55 Cb 0.47 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hi2 h ALA 55 CO 0.03 0.66 -0.39 1.96 0.00 0.00 0.00 179.25 181.51 3hi2 h GLN 56 N 0.71 0.68 -0.17 0.00 4.20 -0.82 0.18 115.11 119.88 3hi2 h GLN 56 Ca 0.07 -0.42 0.03 0.00 0.06 0.00 0.00 58.65 58.40 3hi2 h GLN 56 Cb 0.88 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 3hi2 h GLN 56 CO 0.08 1.04 -0.05 0.28 -0.67 0.00 0.00 178.83 179.51 3hi2 h VAL 57 N 0.39 0.82 -0.50 -0.54 2.07 -0.97 -1.19 116.25 116.34 3hi2 h VAL 57 Ca 0.02 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 3hi2 h VAL 57 Cb 0.99 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3hi2 h VAL 57 CO 0.09 0.00 -0.05 0.11 0.02 0.00 0.00 177.57 177.73 3hi2 h LYS 58 N -0.01 0.87 -0.54 1.57 1.57 -0.32 -1.09 116.57 118.63 3hi2 h LYS 58 Ca 0.08 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3hi2 h LYS 58 Cb 0.13 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3hi2 h LYS 58 CO -0.18 0.91 0.35 0.00 -0.57 0.00 0.00 179.45 179.96 3hi2 h ALA 59 N 1.14 0.68 -0.39 3.86 0.00 -0.40 -0.77 119.26 123.37 3hi2 h ALA 59 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hi2 h ALA 59 Cb 0.55 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hi2 h ALA 59 CO 0.03 0.13 0.13 0.35 0.00 0.00 0.00 179.25 179.89 3hi2 h PHE 60 N 0.73 0.62 -0.82 0.00 3.57 -1.02 -2.01 116.94 118.01 3hi2 h PHE 60 Ca 0.20 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3hi2 h PHE 60 Cb -0.07 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 3hi2 h PHE 60 CO -0.04 0.58 0.54 0.00 -2.23 0.00 0.00 178.31 177.17 3hi2 h ARG 61 N 0.48 1.08 -0.68 1.11 3.08 -1.00 -1.46 114.38 116.98 3hi2 h ARG 61 Ca 0.13 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3hi2 h ARG 61 Cb 0.24 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3hi2 h ARG 61 CO -0.01 0.71 0.44 0.00 -1.07 0.00 0.00 179.97 180.05 3hi2 h ALA 62 N 1.49 0.88 -0.38 0.04 0.00 -0.87 -1.10 119.26 119.32 3hi2 h ALA 62 Ca 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3hi2 h ALA 62 Cb -0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3hi2 h ALA 62 CO -0.07 0.24 0.20 1.03 0.00 0.00 0.00 179.25 180.66 3hi2 h SER 63 N 0.88 0.48 -0.48 0.00 0.87 -0.86 -2.79 113.55 111.65 3hi2 h SER 63 Ca 0.26 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 3hi2 h SER 63 Cb -0.05 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3hi2 h SER 63 CO -0.08 0.44 -0.17 0.58 -0.53 0.00 0.00 176.83 177.08 3hi2 h VAL 64 N 0.48 1.27 0.00 2.23 2.07 -1.08 -2.98 116.25 118.23 3hi2 h VAL 64 Ca 0.13 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 3hi2 h VAL 64 Cb 0.08 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3hi2 h VAL 64 CO -0.02 0.46 -0.29 0.78 0.02 0.00 0.00 177.57 178.52 3hi2 h ASN 65 N 0.82 0.00 0.26 0.57 -0.26 -1.17 -2.11 115.58 113.69 3hi2 h ASN 65 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3hi2 h ASN 65 Cb 0.74 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 3hi2 h ASN 65 CO 0.06 0.29 -0.11 0.00 -1.06 0.00 0.00 177.43 176.60 3hi2 n ALA 66 N -2.41 2.79 -2.23 -0.83 0.00 -1.06 -4.96 120.51 111.81 3hi2 n ALA 66 Ca -0.02 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.70 3hi2 n ALA 66 Cb 0.36 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 3hi2 n ALA 66 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hi2 s GLU 67 N -2.38 4.71 0.32 0.00 2.12 -0.80 -5.01 118.70 117.66 3hi2 s GLU 67 Ca 0.31 1.44 -0.29 0.00 0.36 0.00 0.00 54.97 56.79 3hi2 s GLU 67 Cb 0.20 -3.37 -0.10 0.00 0.26 0.00 0.00 34.13 31.12 3hi2 s GLU 67 CO 0.46 0.24 1.31 0.99 -0.54 0.00 0.00 175.26 177.71 3hi2 s THR 68 N -0.10 2.77 -0.24 -1.70 2.01 -1.26 -5.03 115.64 112.09 3hi2 s THR 68 Ca 0.46 0.76 -0.08 0.00 0.31 0.00 0.00 61.69 63.14 3hi2 s THR 68 Cb -0.23 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3hi2 s THR 68 CO 0.30 0.18 0.10 -0.69 -0.69 0.00 0.00 174.62 173.81 3hi2 s VAL 69 N -1.02 4.67 -2.40 3.82 1.01 -1.26 -5.21 120.40 120.02 3hi2 s VAL 69 Ca 0.50 -0.05 0.29 0.00 0.00 0.00 0.00 61.98 62.71 3hi2 s VAL 69 Cb -0.39 -3.18 0.62 0.00 0.00 0.00 0.00 36.38 33.43 3hi2 s VAL 69 CO 0.51 0.35 1.84 0.00 0.00 0.00 0.00 175.10 177.80