#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi4 s THR 2 N 0.00 0.15 0.22 0.44 -4.23 -1.26 -1.01 115.64 109.94 3hi4 s THR 2 Ca 0.00 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.28 3hi4 s THR 2 Cb 0.00 -1.02 -0.05 0.00 1.34 0.00 0.00 72.50 72.77 3hi4 s THR 2 CO 0.00 -0.69 0.05 0.72 -0.54 0.00 0.00 174.62 174.16 3hi4 s PHE 3 N -2.93 1.37 -0.18 3.99 -0.12 -0.86 -4.96 117.98 114.29 3hi4 s PHE 3 Ca -0.02 -1.11 -0.02 0.00 -0.05 0.00 0.00 56.93 55.73 3hi4 s PHE 3 Cb 0.01 -0.79 -0.01 0.00 -0.63 0.00 0.00 43.02 41.60 3hi4 s PHE 3 CO -0.06 -0.28 -0.10 0.08 -0.05 0.00 0.00 175.22 174.81 3hi4 s VAL 4 N -3.72 3.02 0.83 -2.49 1.01 -1.26 -0.72 120.40 117.08 3hi4 s VAL 4 Ca 0.31 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 3hi4 s VAL 4 Cb 0.07 -2.33 0.09 0.00 0.00 0.00 0.00 36.38 34.22 3hi4 s VAL 4 CO 0.09 0.48 1.18 0.00 0.00 0.00 0.00 175.10 176.85 3hi4 s ALA 5 N 1.07 2.51 0.28 5.51 0.00 0.72 -4.89 121.76 126.97 3hi4 s ALA 5 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3hi4 s ALA 5 Cb -0.15 -2.96 0.63 0.00 0.00 0.00 0.00 23.12 20.64 3hi4 s ALA 5 CO -0.02 -1.80 1.77 -0.22 0.00 0.00 0.00 175.76 175.49 3hi4 h LYS 6 N -1.15 0.69 -0.28 0.00 3.64 -1.96 0.12 116.57 117.64 3hi4 h LYS 6 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3hi4 h LYS 6 Cb 1.33 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3hi4 h LYS 6 CO 0.64 0.46 0.00 -0.40 -2.27 0.00 0.00 179.45 177.88 3hi4 n ASP 7 N -4.81 1.06 0.00 4.20 5.68 -1.26 -4.86 116.55 116.56 3hi4 n ASP 7 Ca 0.20 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 3hi4 n ASP 7 Cb 0.49 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3hi4 n ASP 7 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hi4 n GLY 8 N 0.67 0.94 3.65 6.12 0.00 0.40 -5.04 105.19 111.94 3hi4 n GLY 8 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3hi4 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hi4 s THR 9 N -2.34 3.00 -0.15 2.61 2.01 -1.25 -4.64 115.64 114.88 3hi4 s THR 9 Ca 0.00 0.01 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 3hi4 s THR 9 Cb 0.00 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 3hi4 s THR 9 CO 0.00 -0.00 0.77 -1.58 -0.69 0.00 0.00 174.62 173.12 3hi4 s GLN 10 N 4.68 4.32 -0.15 4.92 0.74 -1.26 -0.20 119.66 132.71 3hi4 s GLN 10 Ca 0.90 0.92 -0.02 0.00 0.05 0.00 0.00 55.36 57.21 3hi4 s GLN 10 Cb -0.42 -3.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.13 3hi4 s GLN 10 CO 0.41 -0.21 -0.10 0.42 -0.55 0.00 0.00 175.29 175.26 3hi4 s ILE 11 N 1.77 3.26 0.26 -2.34 -1.09 0.10 -0.44 121.20 122.73 3hi4 s ILE 11 Ca 0.37 -0.57 -0.16 0.00 -2.23 0.00 0.00 60.65 58.05 3hi4 s ILE 11 Cb -0.17 -2.41 -0.08 0.00 -1.58 0.00 0.00 42.46 38.22 3hi4 s ILE 11 CO 0.14 0.50 0.70 -0.47 -1.23 0.00 0.00 174.94 174.57 3hi4 s TYR 12 N 0.58 3.51 0.10 3.97 5.04 -1.26 -2.04 117.35 127.25 3hi4 s TYR 12 Ca -0.06 1.24 -0.24 0.00 -2.44 0.00 0.00 57.07 55.58 3hi4 s TYR 12 Cb -0.15 -2.53 0.06 0.00 0.35 0.00 0.00 41.96 39.69 3hi4 s TYR 12 CO 0.03 0.24 0.58 -0.59 -1.34 0.00 0.00 175.55 174.47 3hi4 s PHE 13 N -1.73 -0.51 0.03 4.97 -0.71 -0.18 -1.13 117.98 118.72 3hi4 s PHE 13 Ca 0.47 0.45 0.04 0.00 -1.04 0.00 0.00 56.93 56.86 3hi4 s PHE 13 Cb -0.13 0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 3hi4 s PHE 13 CO 0.19 -0.76 -0.07 0.15 -1.34 0.00 0.00 175.22 173.40 3hi4 s LYS 14 N -3.07 2.47 -0.28 1.99 1.02 0.11 -1.73 119.74 120.25 3hi4 s LYS 14 Ca -0.02 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.15 3hi4 s LYS 14 Cb -0.00 -2.46 0.10 0.00 -0.52 0.00 0.00 37.83 34.94 3hi4 s LYS 14 CO -0.07 0.58 0.12 0.34 -0.92 0.00 0.00 175.35 175.40 3hi4 s ASP 15 N -1.60 3.52 -0.10 2.83 2.15 -1.26 -1.62 116.67 120.60 3hi4 s ASP 15 Ca 0.18 -1.29 0.02 0.00 0.43 0.00 0.00 52.55 51.89 3hi4 s ASP 15 Cb -0.11 -0.43 -0.02 0.00 -0.30 0.00 0.00 42.92 42.06 3hi4 s ASP 15 CO 0.09 -0.43 -0.16 0.26 -0.17 0.00 0.00 175.17 174.77 3hi4 s TRP 16 N 2.02 2.71 0.00 -5.34 0.51 0.12 -4.99 118.94 113.97 3hi4 s TRP 16 Ca 0.08 -0.56 0.00 0.00 -2.12 0.00 0.00 56.10 53.50 3hi4 s TRP 16 Cb -0.16 -1.74 0.00 0.00 -0.81 0.00 0.00 33.47 30.76 3hi4 s TRP 16 CO -0.33 -0.12 0.00 0.41 -0.51 0.00 0.00 176.95 176.40 3hi4 n GLY 17 N 3.12 -2.03 3.13 0.98 0.00 -1.26 -0.57 105.19 108.55 3hi4 n GLY 17 Ca -0.18 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 3hi4 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hi4 s SER 18 N -4.00 0.52 0.00 1.61 1.04 -1.24 -4.70 113.70 106.92 3hi4 s SER 18 Ca 0.00 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.35 3hi4 s SER 18 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3hi4 s SER 18 CO 0.00 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.20 3hi4 n GLY 19 N 0.01 0.48 3.76 7.32 0.00 -1.26 -3.09 105.19 112.40 3hi4 n GLY 19 Ca -0.10 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.21 3hi4 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hi4 s LYS 20 N 0.00 4.18 0.20 1.61 1.02 -1.26 -4.14 119.74 121.36 3hi4 s LYS 20 Ca 0.00 2.46 -0.22 0.00 0.02 0.00 0.00 55.97 58.23 3hi4 s LYS 20 Cb 0.00 -3.04 -0.08 0.00 -0.52 0.00 0.00 37.83 34.19 3hi4 s LYS 20 CO 0.00 -0.49 0.75 -1.25 -0.92 0.00 0.00 175.35 173.43 3hi4 s PRO 21 N -1.08 4.38 -0.13 -1.68 0.04 -1.26 -0.78 135.00 134.50 3hi4 s PRO 21 Ca 0.57 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 3hi4 s PRO 21 Cb -0.45 -3.03 0.03 0.00 0.04 0.00 0.00 34.50 31.10 3hi4 s PRO 21 CO 0.52 0.46 -0.05 0.08 0.04 0.00 0.00 177.00 178.05 3hi4 s VAL 22 N -1.37 0.93 -0.17 -0.36 1.01 0.56 -1.71 120.40 119.27 3hi4 s VAL 22 Ca 0.40 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 3hi4 s VAL 22 Cb -0.19 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3hi4 s VAL 22 CO 0.23 0.22 -0.02 -0.22 0.00 0.00 0.00 175.10 175.32 3hi4 s LEU 23 N 1.73 3.31 -0.11 3.92 0.20 0.98 -1.37 118.68 127.34 3hi4 s LEU 23 Ca 0.03 -0.13 -0.02 0.00 0.69 0.00 0.00 54.13 54.70 3hi4 s LEU 23 Cb -0.14 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.78 3hi4 s LEU 23 CO -0.08 0.14 -0.03 -0.36 -0.29 0.00 0.00 176.35 175.73 3hi4 s PHE 24 N 0.57 3.05 -0.24 5.38 0.40 0.61 -0.00 117.98 127.74 3hi4 s PHE 24 Ca -0.02 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 3hi4 s PHE 24 Cb -0.14 -1.84 0.06 0.00 0.51 0.00 0.00 43.02 41.61 3hi4 s PHE 24 CO 0.02 0.23 -0.09 0.45 0.70 0.00 0.00 175.22 176.53 3hi4 s SER 25 N -0.35 4.04 0.80 1.36 0.15 0.15 -3.79 113.70 116.06 3hi4 s SER 25 Ca 0.06 -1.22 -0.11 0.00 0.70 0.00 0.00 55.95 55.38 3hi4 s SER 25 Cb -0.12 -1.38 0.07 0.00 -1.71 0.00 0.00 66.02 62.88 3hi4 s SER 25 CO 0.02 -0.19 1.09 -1.38 1.20 0.00 0.00 173.24 173.98 3hi4 s HIS 26 N 1.25 2.73 0.02 3.44 -3.43 -1.26 -1.34 115.29 116.70 3hi4 s HIS 26 Ca -0.06 1.24 -0.00 0.00 -0.80 0.00 0.00 55.06 55.44 3hi4 s HIS 26 Cb -0.19 -3.09 0.00 0.00 -1.43 0.00 0.00 32.58 27.87 3hi4 s HIS 26 CO -0.06 -1.84 0.03 0.41 -2.00 0.00 0.00 174.74 171.28 3hi4 n GLY 27 N -1.80 0.64 3.86 -1.38 0.00 -1.13 -3.59 105.19 101.80 3hi4 n GLY 27 Ca 0.07 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 3hi4 n GLY 27 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hi4 s TRP 28 N 0.06 3.66 -0.90 1.61 -0.00 -1.26 -1.23 118.94 120.88 3hi4 s TRP 28 Ca 0.02 0.77 0.00 0.00 -0.00 0.00 0.00 56.10 56.90 3hi4 s TRP 28 Cb -0.00 -2.13 0.31 0.00 -0.00 0.00 0.00 33.47 31.65 3hi4 s TRP 28 CO 0.01 0.66 1.36 -0.35 -0.00 0.00 0.00 176.95 178.63 3hi4 n PRO 29 N 1.69 4.20 0.00 5.86 -0.04 -1.26 -5.03 135.00 140.43 3hi4 n PRO 29 Ca -0.15 -4.67 0.00 0.00 -0.04 0.00 0.00 63.50 58.64 3hi4 n PRO 29 Cb 0.53 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 3hi4 n PRO 29 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hi4 n LEU 30 N 0.56 0.00 0.00 1.53 4.77 -0.36 -3.92 117.00 119.58 3hi4 n LEU 30 Ca 0.34 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3hi4 n LEU 30 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3hi4 n LEU 30 CO 0.54 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.70 3hi4 n ASP 31 N 0.00 0.00 0.31 -1.43 5.68 -1.26 -4.29 116.55 115.56 3hi4 n ASP 31 Ca 0.00 -0.89 0.19 0.00 -0.50 0.00 0.00 54.79 53.59 3hi4 n ASP 31 Cb 0.00 0.00 1.03 0.00 -1.14 0.00 0.00 41.12 41.01 3hi4 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hi4 h ALA 32 N 2.00 1.13 0.00 2.12 0.00 -1.90 -1.96 119.26 120.65 3hi4 h ALA 32 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hi4 h ALA 32 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hi4 h ALA 32 CO 0.00 0.02 0.00 -0.44 0.00 0.00 0.00 179.25 178.83 3hi4 h ASP 33 N 0.00 0.00 0.49 0.00 5.19 -1.96 -1.40 116.42 118.74 3hi4 h ASP 33 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hi4 h ASP 33 Cb 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 3hi4 h ASP 33 CO 0.00 0.00 0.00 1.15 -3.12 0.00 0.00 179.24 177.27 3hi4 n MET 34 N -2.94 0.18 -0.09 3.56 0.00 -0.74 -1.48 117.12 115.61 3hi4 n MET 34 Ca -0.01 0.49 0.12 0.00 0.00 0.00 0.00 57.70 58.30 3hi4 n MET 34 Cb 0.17 -1.90 0.23 0.00 0.00 0.00 0.00 33.22 31.72 3hi4 n MET 34 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3hi4 n TRP 35 N -2.24 0.23 -0.24 3.17 7.02 -0.53 -4.62 117.44 120.22 3hi4 n TRP 35 Ca 0.01 -0.11 0.09 0.00 -1.02 0.00 0.00 57.50 56.47 3hi4 n TRP 35 Cb 0.16 0.00 0.36 0.00 -2.42 0.00 0.00 31.31 29.41 3hi4 n TRP 35 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 3hi4 h GLU 36 N 4.02 0.72 -0.08 -0.99 4.11 -1.39 0.13 114.58 121.09 3hi4 h GLU 36 Ca 0.00 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.23 3hi4 h GLU 36 Cb 0.87 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3hi4 h GLU 36 CO 0.00 0.48 -0.63 1.88 0.07 0.00 0.00 179.01 180.81 3hi4 h TYR 37 N 0.74 0.41 0.03 2.06 0.05 -1.83 -1.01 116.97 117.42 3hi4 h TYR 37 Ca 0.39 -0.16 -0.23 0.00 0.05 0.00 0.00 58.73 58.78 3hi4 h TYR 37 Cb 0.51 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.18 3hi4 h TYR 37 CO -0.00 0.86 -1.00 1.96 -1.05 0.00 0.00 178.16 178.93 3hi4 h GLN 38 N 0.23 0.36 -0.01 4.88 7.50 -1.20 -1.05 115.11 125.81 3hi4 h GLN 38 Ca -0.01 -0.43 -0.00 0.00 0.50 0.00 0.00 58.65 58.71 3hi4 h GLN 38 Cb 1.16 0.13 -0.00 0.00 0.05 0.00 0.00 27.48 28.82 3hi4 h GLN 38 CO 0.10 1.12 0.01 0.52 -1.50 0.00 0.00 178.83 179.07 3hi4 h MET 39 N 0.19 0.02 -0.53 1.46 2.86 -0.81 -0.65 114.93 117.46 3hi4 h MET 39 Ca -0.09 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3hi4 h MET 39 Cb 1.65 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.29 3hi4 h MET 39 CO 0.17 0.11 0.21 1.49 1.06 0.00 0.00 176.91 179.95 3hi4 h GLU 40 N -0.08 0.80 -0.75 1.72 4.22 -1.16 0.99 114.58 120.31 3hi4 h GLU 40 Ca 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 59.27 3hi4 h GLU 40 Cb 0.10 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3hi4 h GLU 40 CO -0.00 0.71 0.38 -0.92 -2.18 0.00 0.00 179.01 177.00 3hi4 h TYR 41 N 0.73 1.05 0.05 0.92 3.20 -1.00 -1.63 116.97 120.30 3hi4 h TYR 41 Ca 0.18 -0.03 -0.29 0.00 3.14 0.00 0.00 58.73 61.72 3hi4 h TYR 41 Cb 0.21 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3hi4 h TYR 41 CO 0.01 0.75 -1.59 -0.07 -1.64 0.00 0.00 178.16 175.62 3hi4 h LEU 42 N 1.06 0.18 -0.08 2.82 3.38 -0.84 -3.27 115.31 118.56 3hi4 h LEU 42 Ca 0.26 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3hi4 h LEU 42 Cb 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hi4 h LEU 42 CO -0.04 1.26 -0.09 0.28 0.09 0.00 0.00 178.44 179.94 3hi4 h SER 43 N 0.03 0.00 -0.23 -0.43 0.02 -0.72 -0.65 113.55 111.56 3hi4 h SER 43 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3hi4 h SER 43 Cb 1.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.52 3hi4 h SER 43 CO 0.11 0.09 0.00 -1.54 -1.14 0.00 0.00 176.83 174.36 3hi4 n SER 44 N -3.13 1.37 -0.81 3.07 3.41 -0.62 -3.78 113.62 113.13 3hi4 n SER 44 Ca 0.03 -2.02 0.06 0.00 -0.26 0.00 0.00 58.87 56.68 3hi4 n SER 44 Cb 0.56 -0.19 0.15 0.00 -0.26 0.00 0.00 64.21 64.46 3hi4 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hi4 n ARG 45 N 0.20 1.07 -0.24 4.33 1.74 -0.32 -4.99 116.66 118.45 3hi4 n ARG 45 Ca 0.08 -2.82 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 3hi4 n ARG 45 Cb 0.23 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 3hi4 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hi4 n GLY 46 N -0.65 0.84 3.71 -0.13 0.00 -1.12 -5.01 105.19 102.83 3hi4 n GLY 46 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3hi4 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hi4 s TYR 47 N -2.07 2.87 -0.25 1.61 2.02 -0.76 -4.21 117.35 116.56 3hi4 s TYR 47 Ca 0.00 -0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.43 3hi4 s TYR 47 Cb 0.00 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 40.20 3hi4 s TYR 47 CO 0.00 0.56 0.20 0.50 -1.57 0.00 0.00 175.55 175.25 3hi4 s ARG 48 N -3.53 4.04 -0.05 -0.62 3.52 0.04 -3.70 118.95 118.66 3hi4 s ARG 48 Ca 0.31 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.69 3hi4 s ARG 48 Cb -0.08 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 3hi4 s ARG 48 CO 0.21 -0.04 -0.05 0.95 -0.81 0.00 0.00 175.30 175.56 3hi4 s THR 49 N 1.36 3.86 -0.03 4.11 -4.23 0.26 -0.32 115.64 120.65 3hi4 s THR 49 Ca 0.09 -0.50 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 3hi4 s THR 49 Cb -0.15 -2.62 0.01 0.00 1.34 0.00 0.00 72.50 71.08 3hi4 s THR 49 CO 0.07 0.54 -0.06 -0.63 -0.54 0.00 0.00 174.62 174.00 3hi4 s ILE 50 N -0.89 0.55 -0.11 2.99 1.09 -0.47 0.15 121.20 124.49 3hi4 s ILE 50 Ca 0.14 -0.21 -0.10 0.00 -1.10 0.00 0.00 60.65 59.39 3hi4 s ILE 50 Cb -0.11 -0.52 0.03 0.00 -1.06 0.00 0.00 42.46 40.80 3hi4 s ILE 50 CO 0.04 0.19 0.30 0.00 -0.10 0.00 0.00 174.94 175.37 3hi4 s ALA 51 N 0.39 -0.73 0.29 9.38 0.00 -0.64 -0.28 121.76 130.17 3hi4 s ALA 51 Ca -0.05 0.89 0.10 0.00 0.00 0.00 0.00 51.96 52.89 3hi4 s ALA 51 Cb -0.09 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 3hi4 s ALA 51 CO 0.00 -0.15 -0.01 -0.59 0.00 0.00 0.00 175.76 175.01 3hi4 s PHE 52 N 0.34 2.62 -0.24 0.00 -0.71 -1.25 0.07 117.98 118.81 3hi4 s PHE 52 Ca -0.02 -0.29 -0.14 0.00 -1.04 0.00 0.00 56.93 55.45 3hi4 s PHE 52 Cb -0.03 -1.27 -0.04 0.00 -1.21 0.00 0.00 43.02 40.47 3hi4 s PHE 52 CO -0.01 0.58 0.30 -0.51 -1.34 0.00 0.00 175.22 174.24 3hi4 s ASP 53 N -3.68 6.24 0.56 1.98 1.01 -0.28 -3.67 116.67 118.83 3hi4 s ASP 53 Ca 0.33 0.27 -0.20 0.00 0.71 0.00 0.00 52.55 53.66 3hi4 s ASP 53 Cb -0.05 -2.18 -0.07 0.00 1.01 0.00 0.00 42.92 41.64 3hi4 s ASP 53 CO 0.19 -0.07 0.91 -1.14 0.21 0.00 0.00 175.17 175.27 3hi4 n ARG 54 N 4.76 0.95 -1.58 8.23 0.63 -1.26 -4.39 116.66 124.00 3hi4 n ARG 54 Ca -0.11 0.36 -0.47 0.00 -0.92 0.00 0.00 57.85 56.71 3hi4 n ARG 54 Cb 0.51 -2.07 -0.03 0.00 0.45 0.00 0.00 32.46 31.32 3hi4 n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3hi4 n ARG 55 N -0.60 1.25 0.00 -0.14 1.85 -1.26 -1.03 116.66 116.72 3hi4 n ARG 55 Ca 0.12 0.44 0.00 0.00 -1.00 0.00 0.00 57.85 57.41 3hi4 n ARG 55 Cb 0.46 -1.87 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 3hi4 n ARG 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hi4 n GLY 56 N 1.67 1.89 3.46 2.89 0.00 0.50 -4.96 105.19 110.64 3hi4 n GLY 56 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3hi4 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hi4 s PHE 57 N -2.34 2.30 0.00 1.61 0.40 -0.19 -0.06 117.98 119.71 3hi4 s PHE 57 Ca 0.00 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 3hi4 s PHE 57 Cb 0.00 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.49 3hi4 s PHE 57 CO 0.00 0.65 0.00 0.41 0.70 0.00 0.00 175.22 176.98 3hi4 n GLY 58 N -0.35 3.52 1.14 4.36 0.00 -1.26 -1.50 105.19 111.10 3hi4 n GLY 58 Ca -0.07 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3hi4 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hi4 n ARG 59 N 13.92 2.48 -2.14 1.61 1.74 -1.26 -4.66 116.66 128.35 3hi4 n ARG 59 Ca 0.00 -2.25 -0.27 0.00 -0.77 0.00 0.00 57.85 54.56 3hi4 n ARG 59 Cb 0.00 -1.51 0.06 0.00 -1.02 0.00 0.00 32.46 29.99 3hi4 n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3hi4 s SER 60 N -1.35 5.08 1.07 0.55 0.01 -0.56 -4.57 113.70 113.92 3hi4 s SER 60 Ca 0.41 0.71 -0.13 0.00 1.31 0.00 0.00 55.95 58.25 3hi4 s SER 60 Cb 0.23 -1.45 0.23 0.00 0.21 0.00 0.00 66.02 65.24 3hi4 s SER 60 CO 0.31 -1.47 1.07 -1.81 0.41 0.00 0.00 173.24 171.75 3hi4 s ASP 61 N -4.44 1.93 -0.61 2.44 1.01 0.42 -4.57 116.67 112.85 3hi4 s ASP 61 Ca 0.58 1.30 0.06 0.00 0.71 0.00 0.00 52.55 55.21 3hi4 s ASP 61 Cb -0.11 -2.01 0.25 0.00 1.01 0.00 0.00 42.92 42.06 3hi4 s ASP 61 CO 0.47 -3.58 0.72 0.00 0.21 0.00 0.00 175.17 172.99 3hi4 n GLN 62 N -4.48 2.31 -2.13 8.23 6.02 -1.26 -0.37 117.38 125.70 3hi4 n GLN 62 Ca 0.04 -4.49 -0.38 0.00 -0.01 0.00 0.00 57.00 52.16 3hi4 n GLN 62 Cb 0.56 -2.12 -0.00 0.00 1.02 0.00 0.00 30.24 29.70 3hi4 n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3hi4 s PRO 63 N -2.34 3.75 0.41 -1.09 0.04 -1.26 -4.91 135.00 129.58 3hi4 s PRO 63 Ca 0.40 1.96 0.09 0.00 0.04 0.00 0.00 61.00 63.48 3hi4 s PRO 63 Cb 0.16 -2.51 0.85 0.00 0.04 0.00 0.00 34.50 33.04 3hi4 s PRO 63 CO -0.03 -0.61 2.00 2.35 0.04 0.00 0.00 177.00 180.75 3hi4 h TRP 64 N 2.19 0.36 -2.20 0.56 2.91 -2.01 -3.46 115.95 114.31 3hi4 h TRP 64 Ca -0.50 -0.01 -0.57 0.00 1.13 0.00 0.00 58.89 58.94 3hi4 h TRP 64 Cb 1.25 -0.11 -0.11 0.00 -0.51 0.00 0.00 29.16 29.68 3hi4 h TRP 64 CO 0.52 0.33 -0.68 0.95 -1.03 0.00 0.00 178.44 178.53 3hi4 s THR 65 N -5.11 3.12 0.00 2.65 -4.23 -1.26 -4.68 115.64 106.13 3hi4 s THR 65 Ca -0.07 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 3hi4 s THR 65 Cb 0.16 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.33 3hi4 s THR 65 CO 0.73 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 3hi4 n GLY 66 N -0.81 0.65 2.68 3.99 0.00 -1.26 -4.98 105.19 105.46 3hi4 n GLY 66 Ca -0.06 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3hi4 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hi4 n ASN 67 N 0.83 4.53 -3.62 1.61 3.02 -1.26 -4.46 115.26 115.91 3hi4 n ASN 67 Ca 0.00 -2.80 -0.11 0.00 -0.03 0.00 0.00 54.58 51.65 3hi4 n ASN 67 Cb 0.00 -1.63 -0.04 0.00 -0.61 0.00 0.00 39.78 37.50 3hi4 n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3hi4 s ASP 68 N 3.10 -0.31 0.35 6.41 1.47 -1.26 -4.63 116.67 121.80 3hi4 s ASP 68 Ca 0.50 -0.30 0.07 0.00 1.18 0.00 0.00 52.55 54.01 3hi4 s ASP 68 Cb 0.15 0.53 0.65 0.00 -0.34 0.00 0.00 42.92 43.90 3hi4 s ASP 68 CO -0.08 -0.94 1.85 1.88 0.68 0.00 0.00 175.17 178.56 3hi4 h TYR 69 N 2.24 0.36 -0.41 2.11 0.05 -1.92 0.15 116.97 119.54 3hi4 h TYR 69 Ca -0.32 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.34 3hi4 h TYR 69 Cb 1.27 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.90 3hi4 h TYR 69 CO 0.31 0.49 0.02 -0.44 -1.05 0.00 0.00 178.16 177.48 3hi4 h ASP 70 N 0.32 0.70 -0.52 3.88 3.32 -1.96 0.17 116.42 122.34 3hi4 h ASP 70 Ca 0.06 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 3hi4 h ASP 70 Cb 0.46 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3hi4 h ASP 70 CO 0.03 0.82 -0.07 0.74 -1.72 0.00 0.00 179.24 179.04 3hi4 h THR 71 N 0.55 1.27 -0.55 0.35 2.02 -1.72 -1.66 112.91 113.18 3hi4 h THR 71 Ca 0.12 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.13 3hi4 h THR 71 Cb 0.45 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3hi4 h THR 71 CO 0.02 0.42 0.33 -0.26 0.37 0.00 0.00 175.52 176.40 3hi4 h PHE 72 N 0.82 0.62 -0.88 3.16 0.04 -0.47 0.20 116.94 120.43 3hi4 h PHE 72 Ca 0.14 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3hi4 h PHE 72 Cb 0.62 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 3hi4 h PHE 72 CO 0.04 0.35 0.53 0.00 -0.60 0.00 0.00 178.31 178.63 3hi4 h ALA 73 N 1.25 1.12 0.00 2.45 0.00 -0.48 -1.39 119.26 122.21 3hi4 h ALA 73 Ca 0.22 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3hi4 h ALA 73 Cb 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3hi4 h ALA 73 CO -0.10 0.58 -0.72 -0.44 0.00 0.00 0.00 179.25 178.57 3hi4 h ASP 74 N 1.21 0.00 -0.19 0.00 3.32 -0.79 -1.87 116.42 118.10 3hi4 h ASP 74 Ca 0.32 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3hi4 h ASP 74 Cb -0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3hi4 h ASP 74 CO -0.06 0.72 0.11 0.44 -1.72 0.00 0.00 179.24 178.73 3hi4 h ASP 75 N 0.00 0.24 -0.67 6.45 3.32 0.28 -0.44 116.42 125.59 3hi4 h ASP 75 Ca -0.01 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3hi4 h ASP 75 Cb 1.32 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 3hi4 h ASP 75 CO 0.09 0.24 0.43 0.40 -1.72 0.00 0.00 179.24 178.69 3hi4 h ILE 76 N 0.21 1.18 -0.85 0.35 2.04 -0.96 -0.86 117.51 118.62 3hi4 h ILE 76 Ca 0.07 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.68 3hi4 h ILE 76 Cb 0.05 0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 36.26 3hi4 h ILE 76 CO -0.01 0.18 0.48 0.00 0.00 0.00 0.00 178.15 178.80 3hi4 h ALA 77 N 1.23 1.23 -0.23 1.87 0.00 -1.13 0.15 119.26 122.39 3hi4 h ALA 77 Ca 0.24 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 3hi4 h ALA 77 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hi4 h ALA 77 CO -0.05 0.07 -0.46 1.96 0.00 0.00 0.00 179.25 180.77 3hi4 h GLN 78 N 0.78 0.60 -0.39 0.00 4.20 -0.13 -1.20 115.11 118.96 3hi4 h GLN 78 Ca 0.42 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3hi4 h GLN 78 Cb 0.44 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 3hi4 h GLN 78 CO -0.27 0.94 0.11 1.25 -0.67 0.00 0.00 178.83 180.19 3hi4 h LEU 79 N 0.48 0.58 -1.02 1.46 5.85 -0.04 0.37 115.31 122.98 3hi4 h LEU 79 Ca 0.03 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.60 3hi4 h LEU 79 Cb 0.99 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 3hi4 h LEU 79 CO 0.09 0.64 0.65 0.40 -0.34 0.00 0.00 178.44 179.88 3hi4 h ILE 80 N 0.49 1.09 0.10 4.05 2.04 -0.39 -1.84 117.51 123.06 3hi4 h ILE 80 Ca 0.13 -0.40 -0.22 0.00 1.00 0.00 0.00 64.86 65.36 3hi4 h ILE 80 Cb 0.28 -0.18 0.02 0.00 -0.74 0.00 0.00 36.82 36.20 3hi4 h ILE 80 CO -0.00 0.21 -0.93 -0.33 0.00 0.00 0.00 178.15 177.11 3hi4 h GLU 81 N 1.17 0.44 -0.87 2.37 5.08 -0.96 0.59 114.58 122.40 3hi4 h GLU 81 Ca 0.43 -0.62 0.17 0.00 -1.00 0.00 0.00 59.36 58.34 3hi4 h GLU 81 Cb 0.16 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 3hi4 h GLU 81 CO -0.17 1.26 0.43 1.25 -1.00 0.00 0.00 179.01 180.78 3hi4 h HIS 82 N -0.07 0.75 -0.11 4.33 2.76 -0.13 -0.70 115.15 121.97 3hi4 h HIS 82 Ca -0.15 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 3hi4 h HIS 82 Cb 1.67 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.43 3hi4 h HIS 82 CO 0.16 0.11 0.00 1.28 -1.30 0.00 0.00 177.93 178.18 3hi4 n LEU 83 N -4.92 2.53 -3.89 0.26 4.77 -0.70 -4.98 117.00 110.07 3hi4 n LEU 83 Ca 0.19 -0.92 -0.27 0.00 -0.03 0.00 0.00 56.01 54.98 3hi4 n LEU 83 Cb 0.51 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3hi4 n LEU 83 CO 0.19 0.46 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.98 3hi4 n ASP 84 N 0.94 -2.27 -4.79 -1.43 2.03 -0.26 -4.93 116.55 105.83 3hi4 n ASP 84 Ca 0.17 -0.88 -0.35 0.00 0.52 0.00 0.00 54.79 54.25 3hi4 n ASP 84 Cb 0.50 -3.60 -0.04 0.00 -0.72 0.00 0.00 41.12 37.26 3hi4 n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hi4 s LEU 85 N -7.00 3.97 -0.02 -2.67 1.43 0.04 -5.01 118.68 109.41 3hi4 s LEU 85 Ca 0.29 1.94 -0.05 0.00 -1.03 0.00 0.00 54.13 55.28 3hi4 s LEU 85 Cb -0.15 -4.41 0.01 0.00 0.03 0.00 0.00 46.19 41.67 3hi4 s LEU 85 CO 0.85 -0.62 0.11 -0.54 0.23 0.00 0.00 176.35 176.39 3hi4 s LYS 86 N -2.93 0.27 -1.47 1.70 1.02 -1.26 -4.82 119.74 112.24 3hi4 s LYS 86 Ca 0.63 -0.08 -0.07 0.00 0.02 0.00 0.00 55.97 56.46 3hi4 s LYS 86 Cb -0.18 0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.27 3hi4 s LYS 86 CO 0.22 -0.05 0.80 0.39 -0.92 0.00 0.00 175.35 175.79 3hi4 n GLU 87 N 2.38 -5.69 -2.56 1.68 1.02 -0.53 -4.54 120.64 112.39 3hi4 n GLU 87 Ca -0.17 0.81 -0.41 0.00 -0.02 0.00 0.00 57.16 57.37 3hi4 n GLU 87 Cb 0.58 -5.71 -0.04 0.00 -0.02 0.00 0.00 31.44 26.24 3hi4 n GLU 87 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hi4 s VAL 88 N -3.21 4.17 -0.21 2.62 0.11 -0.24 -4.26 120.40 119.39 3hi4 s VAL 88 Ca 0.44 1.73 -0.18 0.00 -2.93 0.00 0.00 61.98 61.04 3hi4 s VAL 88 Cb -0.20 -4.11 -0.03 0.00 -1.53 0.00 0.00 36.38 30.51 3hi4 s VAL 88 CO 0.54 0.24 0.50 -0.89 -3.33 0.00 0.00 175.10 172.16 3hi4 s THR 89 N 0.25 5.11 -0.14 5.04 2.01 -0.70 -0.93 115.64 126.29 3hi4 s THR 89 Ca 0.51 0.91 -0.15 0.00 0.31 0.00 0.00 61.69 63.27 3hi4 s THR 89 Cb -0.27 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 3hi4 s THR 89 CO 0.32 0.17 0.34 -0.76 -0.69 0.00 0.00 174.62 174.00 3hi4 s LEU 90 N 1.70 4.26 -0.13 4.42 1.43 -0.60 -0.01 118.68 129.75 3hi4 s LEU 90 Ca 0.23 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3hi4 s LEU 90 Cb -0.15 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.64 3hi4 s LEU 90 CO 0.09 0.09 -0.12 -0.69 0.23 0.00 0.00 176.35 175.96 3hi4 s VAL 91 N 0.43 1.33 -0.13 -1.59 1.01 0.99 -0.45 120.40 121.99 3hi4 s VAL 91 Ca 0.19 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3hi4 s VAL 91 Cb -0.14 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3hi4 s VAL 91 CO 0.06 0.42 -0.22 -0.83 0.00 0.00 0.00 175.10 174.52 3hi4 s GLY 92 N 1.51 1.36 -0.24 4.51 0.00 -0.13 0.30 107.32 114.64 3hi4 s GLY 92 Ca 0.03 -1.04 -0.08 0.00 0.00 0.00 0.00 44.72 43.64 3hi4 s GLY 92 CO -0.09 -0.14 0.10 -0.12 0.00 0.00 0.00 173.10 172.85 3hi4 s PHE 93 N 0.62 3.16 0.00 1.90 5.36 -0.45 0.22 117.98 128.79 3hi4 s PHE 93 Ca -0.12 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 3hi4 s PHE 93 Cb -0.16 -2.23 0.00 0.00 -0.34 0.00 0.00 43.02 40.28 3hi4 s PHE 93 CO 0.03 -0.17 0.00 0.45 -1.46 0.00 0.00 175.22 174.06 3hi4 n SER 94 N 4.60 0.00 0.26 6.13 2.88 0.04 0.10 113.62 127.64 3hi4 n SER 94 Ca -0.16 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.56 3hi4 n SER 94 Cb 0.52 0.00 0.86 0.00 -0.75 0.00 0.00 64.21 64.84 3hi4 n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hi4 h MET 95 N 0.00 0.00 0.00 -1.46 -0.00 -1.85 -0.65 114.93 110.97 3hi4 h MET 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hi4 h MET 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3hi4 h MET 95 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.32 3hi4 n GLY 96 N -0.64 -1.35 0.14 -3.00 0.00 0.11 -1.92 105.19 98.54 3hi4 n GLY 96 Ca -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 3hi4 n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hi4 h GLY 97 N 4.18 0.14 1.04 -0.02 0.00 -1.21 -3.20 103.07 103.99 3hi4 h GLY 97 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3hi4 h GLY 97 CO 0.00 0.17 0.12 -1.33 0.00 0.00 0.00 176.54 175.49 3hi4 h GLY 98 N 1.75 1.11 1.98 4.60 0.00 -1.52 -2.68 103.07 108.31 3hi4 h GLY 98 Ca -0.01 -0.73 -0.13 0.00 0.00 0.00 0.00 47.33 46.46 3hi4 h GLY 98 CO 0.10 0.68 -0.63 1.29 0.00 0.00 0.00 176.54 177.97 3hi4 h ASP 99 N 0.95 0.00 -0.10 0.19 3.04 -1.62 -0.84 116.42 118.04 3hi4 h ASP 99 Ca 0.19 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.82 3hi4 h ASP 99 Cb 0.41 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.70 3hi4 h ASP 99 CO 0.01 0.61 -0.53 -0.37 -2.04 0.00 0.00 179.24 176.93 3hi4 h VAL 100 N 0.00 1.30 -0.14 4.15 -1.51 -1.58 -0.69 116.25 117.78 3hi4 h VAL 100 Ca -0.01 -1.74 0.00 0.00 -1.23 0.00 0.00 66.70 63.72 3hi4 h VAL 100 Cb 1.48 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 32.31 3hi4 h VAL 100 CO 0.08 0.55 0.09 0.00 -1.23 0.00 0.00 177.57 177.06 3hi4 h ALA 101 N 0.88 0.18 0.00 5.19 0.00 -1.41 -2.50 119.26 121.60 3hi4 h ALA 101 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hi4 h ALA 101 Cb 1.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3hi4 h ALA 101 CO 0.11 -0.32 -0.21 -0.09 0.00 0.00 0.00 179.25 178.73 3hi4 h ARG 102 N 0.17 0.00 -0.07 0.00 9.65 -1.06 -0.96 114.38 122.11 3hi4 h ARG 102 Ca 0.05 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3hi4 h ARG 102 Cb 0.00 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3hi4 h ARG 102 CO -0.01 0.21 0.00 -0.92 2.80 0.00 0.00 179.97 182.06 3hi4 h TYR 103 N 0.00 0.12 -0.43 2.20 3.20 -0.89 -1.24 116.97 119.93 3hi4 h TYR 103 Ca -0.00 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.91 3hi4 h TYR 103 Cb 0.78 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 3hi4 h TYR 103 CO 0.00 0.37 0.13 0.82 -1.64 0.00 0.00 178.16 177.84 3hi4 h ILE 104 N -0.16 0.83 -0.95 1.81 2.04 -0.95 0.12 117.51 120.25 3hi4 h ILE 104 Ca 0.02 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3hi4 h ILE 104 Cb 0.32 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3hi4 h ILE 104 CO 0.00 0.05 0.57 0.00 0.00 0.00 0.00 178.15 178.77 3hi4 h ALA 105 N 1.30 1.21 0.00 1.87 0.00 -1.15 0.41 119.26 122.89 3hi4 h ALA 105 Ca 0.21 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 3hi4 h ALA 105 Cb 0.22 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hi4 h ALA 105 CO -0.23 0.67 -1.14 0.00 0.00 0.00 0.00 179.25 178.55 3hi4 h ARG 106 N 1.31 0.00 0.00 0.00 3.08 -0.71 -3.39 114.38 114.66 3hi4 h ARG 106 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3hi4 h ARG 106 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3hi4 h ARG 106 CO -0.06 0.46 0.00 0.72 -1.07 0.00 0.00 179.97 180.02 3hi4 n HIS 107 N -3.06 0.00 -0.05 3.04 8.25 0.36 -5.09 115.22 118.67 3hi4 n HIS 107 Ca -0.06 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.41 3hi4 n HIS 107 Cb 0.85 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.96 3hi4 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hi4 n GLY 108 N 0.45 -1.34 0.97 -1.41 0.00 0.14 -4.67 105.19 99.34 3hi4 n GLY 108 Ca 0.00 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.54 3hi4 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hi4 n SER 109 N -1.21 3.48 0.10 1.61 3.41 -1.26 -4.55 113.62 115.20 3hi4 n SER 109 Ca 0.00 -3.23 0.04 0.00 -0.26 0.00 0.00 58.87 55.42 3hi4 n SER 109 Cb 0.02 -0.57 0.45 0.00 -0.26 0.00 0.00 64.21 63.85 3hi4 n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hi4 h ALA 110 N 1.52 1.67 -0.37 7.33 0.00 -1.98 -1.25 119.26 126.18 3hi4 h ALA 110 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hi4 h ALA 110 Cb 1.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3hi4 h ALA 110 CO 0.28 0.25 0.00 0.54 0.00 0.00 0.00 179.25 180.33 3hi4 n ARG 111 N -4.40 1.95 -4.14 0.00 1.74 -1.26 -4.73 116.66 105.82 3hi4 n ARG 111 Ca 0.00 -1.47 -0.34 0.00 -0.77 0.00 0.00 57.85 55.27 3hi4 n ARG 111 Cb 0.16 -1.35 -0.15 0.00 -1.02 0.00 0.00 32.46 30.11 3hi4 n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hi4 s VAL 112 N -1.50 2.89 0.03 1.55 1.01 -0.47 -1.08 120.40 122.83 3hi4 s VAL 112 Ca 0.29 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.71 3hi4 s VAL 112 Cb 0.15 -2.27 -0.20 0.00 0.00 0.00 0.00 36.38 34.07 3hi4 s VAL 112 CO 0.21 0.48 1.03 0.00 0.00 0.00 0.00 175.10 176.82 3hi4 h ALA 113 N 7.81 0.55 -1.56 5.51 0.00 -1.21 -3.45 119.26 126.90 3hi4 h ALA 113 Ca -0.40 -1.10 0.31 0.00 0.00 0.00 0.00 54.91 53.73 3hi4 h ALA 113 Cb 1.16 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 3hi4 h ALA 113 CO 0.60 1.33 0.80 0.20 0.00 0.00 0.00 179.25 182.19 3hi4 s GLY 114 N -4.85 -0.38 -0.02 0.00 0.00 -1.22 -4.27 107.32 96.57 3hi4 s GLY 114 Ca -0.01 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.32 3hi4 s GLY 114 CO 0.82 0.40 -0.03 -2.27 0.00 0.00 0.00 173.10 172.02 3hi4 s LEU 115 N -3.02 1.66 -0.11 0.66 2.96 -0.14 -1.55 118.68 119.14 3hi4 s LEU 115 Ca 0.15 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3hi4 s LEU 115 Cb 0.04 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.51 3hi4 s LEU 115 CO -0.03 -0.01 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.14 3hi4 s VAL 116 N 0.38 1.55 -0.28 1.68 1.01 0.40 -0.62 120.40 124.51 3hi4 s VAL 116 Ca -0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3hi4 s VAL 116 Cb -0.07 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 34.94 3hi4 s VAL 116 CO -0.01 0.45 -0.02 -0.76 0.00 0.00 0.00 175.10 174.77 3hi4 s LEU 117 N 0.90 3.67 -0.29 3.92 1.43 0.01 -0.95 118.68 127.36 3hi4 s LEU 117 Ca -0.08 -1.13 -0.06 0.00 -1.03 0.00 0.00 54.13 51.82 3hi4 s LEU 117 Cb -0.15 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3hi4 s LEU 117 CO -0.00 -0.22 0.07 -0.76 0.23 0.00 0.00 176.35 175.67 3hi4 s LEU 118 N 1.28 3.78 -1.40 1.79 1.43 0.13 -0.57 118.68 125.12 3hi4 s LEU 118 Ca -0.03 -0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 52.28 3hi4 s LEU 118 Cb -0.19 -1.87 0.07 0.00 0.03 0.00 0.00 46.19 44.23 3hi4 s LEU 118 CO -0.02 -0.18 0.62 0.61 0.23 0.00 0.00 176.35 177.61 3hi4 n GLY 119 N 4.86 -0.49 3.90 -3.19 0.00 0.17 -0.78 105.19 109.66 3hi4 n GLY 119 Ca -0.15 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3hi4 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi4 s ALA 120 N -3.06 3.50 -0.79 4.61 0.00 -1.26 -3.21 121.76 121.55 3hi4 s ALA 120 Ca 0.45 -0.48 0.26 0.00 0.00 0.00 0.00 51.96 52.19 3hi4 s ALA 120 Cb -0.23 -2.47 0.94 0.00 0.00 0.00 0.00 23.12 21.36 3hi4 s ALA 120 CO 0.56 -0.01 1.79 1.33 0.00 0.00 0.00 175.76 179.43 3hi4 n VAL 121 N -1.47 0.49 -2.14 0.00 0.24 -0.80 -4.29 118.33 110.37 3hi4 n VAL 121 Ca -0.00 -0.11 -0.37 0.00 -2.04 0.00 0.00 64.34 61.82 3hi4 n VAL 121 Cb 0.54 -0.67 0.01 0.00 -1.47 0.00 0.00 33.84 32.26 3hi4 n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3hi4 s THR 122 N -3.10 2.87 -0.97 3.34 -4.23 -1.26 -2.63 115.64 109.66 3hi4 s THR 122 Ca 0.10 0.60 0.23 0.00 -1.18 0.00 0.00 61.69 61.45 3hi4 s THR 122 Cb 0.14 -3.28 -0.09 0.00 1.34 0.00 0.00 72.50 70.61 3hi4 s THR 122 CO 0.53 -0.06 1.20 -0.81 -0.54 0.00 0.00 174.62 174.94 3hi4 n PRO 123 N -0.99 0.02 -3.63 3.99 -0.04 -1.26 -3.74 135.00 129.36 3hi4 n PRO 123 Ca 0.10 -0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.51 3hi4 n PRO 123 Cb 0.49 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 3hi4 n PRO 123 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3hi4 s LEU 124 N -3.07 -0.19 -0.05 1.53 -0.00 -1.08 -0.33 118.68 115.49 3hi4 s LEU 124 Ca 0.09 0.27 -0.07 0.00 -0.00 0.00 0.00 54.13 54.42 3hi4 s LEU 124 Cb 0.17 1.41 -0.02 0.00 -0.00 0.00 0.00 46.19 47.74 3hi4 s LEU 124 CO 0.77 -0.13 -0.14 0.33 -0.00 0.00 0.00 176.35 177.18 3hi4 n PHE 125 N 1.09 0.00 -1.61 3.48 -0.00 -1.24 -4.71 117.46 114.46 3hi4 n PHE 125 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.08 3hi4 n PHE 125 Cb 0.58 -0.20 0.08 0.00 -0.00 0.00 0.00 39.48 39.94 3hi4 n PHE 125 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3hi4 s GLY 126 N -4.01 1.63 0.58 7.13 0.00 -0.70 -0.73 107.32 111.22 3hi4 s GLY 126 Ca -0.12 -0.22 -0.20 0.00 0.00 0.00 0.00 44.72 44.18 3hi4 s GLY 126 CO 0.17 0.19 1.29 1.20 0.00 0.00 0.00 173.10 175.95 3hi4 s GLN 127 N -5.19 2.95 0.19 2.90 -0.21 0.23 -4.30 119.66 116.23 3hi4 s GLN 127 Ca 0.60 2.05 0.03 0.00 0.02 0.00 0.00 55.36 58.06 3hi4 s GLN 127 Cb -0.14 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 3hi4 s GLN 127 CO 0.54 -1.28 -0.02 0.15 -2.12 0.00 0.00 175.29 172.56 3hi4 s LYS 128 N -3.15 1.20 0.32 2.91 -0.14 -1.08 -4.87 119.74 114.92 3hi4 s LYS 128 Ca 0.76 -1.58 0.05 0.00 -1.36 0.00 0.00 55.97 53.84 3hi4 s LYS 128 Cb -0.36 -0.48 0.68 0.00 -1.68 0.00 0.00 37.83 35.99 3hi4 s LYS 128 CO 0.40 -0.08 1.87 -1.35 -0.76 0.00 0.00 175.35 175.43 3hi4 h PRO 129 N 2.61 0.82 -0.51 -1.68 0.11 -2.01 0.32 132.00 131.66 3hi4 h PRO 129 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3hi4 h PRO 129 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hi4 h PRO 129 CO 0.64 0.55 0.00 -0.40 -0.21 0.00 0.00 178.00 178.57 3hi4 n ASP 130 N -4.57 2.66 -3.18 -2.05 5.75 -1.26 -4.37 116.55 109.53 3hi4 n ASP 130 Ca 0.17 -2.13 -0.18 0.00 -0.01 0.00 0.00 54.79 52.64 3hi4 n ASP 130 Cb 0.38 -0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 3hi4 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hi4 n TYR 131 N 0.67 0.18 0.50 2.11 9.36 0.11 -4.92 117.16 125.17 3hi4 n TYR 131 Ca 0.15 -3.80 0.11 0.00 3.32 0.00 0.00 57.90 57.68 3hi4 n TYR 131 Cb 0.47 -0.41 0.45 0.00 -0.63 0.00 0.00 39.34 39.22 3hi4 n TYR 131 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3hi4 n PRO 132 N 0.28 0.16 0.05 2.98 -0.04 -1.19 -1.49 135.00 135.74 3hi4 n PRO 132 Ca 0.25 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 3hi4 n PRO 132 Cb 0.66 -1.77 0.42 0.00 -0.04 0.00 0.00 33.50 32.78 3hi4 n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hi4 n GLN 133 N -2.06 0.08 -0.85 0.54 0.00 -1.26 -4.82 117.38 109.01 3hi4 n GLN 133 Ca 0.03 0.26 -0.24 0.00 0.00 0.00 0.00 57.00 57.05 3hi4 n GLN 133 Cb 0.26 -1.64 0.20 0.00 0.00 0.00 0.00 30.24 29.06 3hi4 n GLN 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hi4 n GLY 134 N 0.36 -2.69 3.70 2.61 0.00 -0.55 -4.94 105.19 103.68 3hi4 n GLY 134 Ca 0.04 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 3hi4 n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hi4 s VAL 135 N -2.60 4.95 0.37 1.61 1.01 0.09 -4.22 120.40 121.61 3hi4 s VAL 135 Ca 0.57 1.65 -0.28 0.00 0.00 0.00 0.00 61.98 63.93 3hi4 s VAL 135 Cb -0.06 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 3hi4 s VAL 135 CO 0.44 0.16 1.37 -2.65 0.00 0.00 0.00 175.10 174.41 3hi4 n PRO 136 N 4.29 2.32 0.27 2.72 -0.02 -1.26 -0.60 135.00 142.72 3hi4 n PRO 136 Ca 0.02 0.81 0.11 0.00 -2.02 0.00 0.00 63.50 62.43 3hi4 n PRO 136 Cb 0.50 -2.47 0.76 0.00 -0.02 0.00 0.00 33.50 32.27 3hi4 n PRO 136 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hi4 h LEU 137 N 2.64 0.00 -0.40 2.45 3.38 -1.93 -1.16 115.31 120.28 3hi4 h LEU 137 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hi4 h LEU 137 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3hi4 h LEU 137 CO 0.63 0.02 0.00 -2.24 0.09 0.00 0.00 178.44 176.94 3hi4 h ASP 138 N 0.00 0.00 -0.06 -0.43 3.04 -1.98 0.36 116.42 117.34 3hi4 h ASP 138 Ca -0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3hi4 h ASP 138 Cb 0.05 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.34 3hi4 h ASP 138 CO 0.00 0.00 0.04 0.58 -2.04 0.00 0.00 179.24 177.82 3hi4 h VAL 139 N 0.00 1.07 -0.07 4.15 2.07 -1.56 -1.53 116.25 120.37 3hi4 h VAL 139 Ca 0.00 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 3hi4 h VAL 139 Cb 0.65 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3hi4 h VAL 139 CO 0.00 0.06 -0.29 -0.26 0.02 0.00 0.00 177.57 177.09 3hi4 h PHE 140 N 0.03 0.15 -0.58 1.57 0.04 -1.28 -2.30 116.94 114.56 3hi4 h PHE 140 Ca 0.02 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3hi4 h PHE 140 Cb 0.06 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 3hi4 h PHE 140 CO -0.05 0.42 0.34 0.00 -0.60 0.00 0.00 178.31 178.42 3hi4 h ALA 141 N 1.58 0.74 -0.63 2.45 0.00 -0.10 -1.15 119.26 122.15 3hi4 h ALA 141 Ca 0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3hi4 h ALA 141 Cb 0.59 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3hi4 h ALA 141 CO 0.04 0.23 0.08 0.00 0.00 0.00 0.00 179.25 179.60 3hi4 h ARG 142 N 0.78 1.05 -0.19 0.00 3.08 -1.00 -1.95 114.38 116.15 3hi4 h ARG 142 Ca 0.21 -0.29 0.04 0.00 0.07 0.00 0.00 59.98 60.01 3hi4 h ARG 142 Cb 0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3hi4 h ARG 142 CO -0.04 0.98 -0.04 0.74 -1.07 0.00 0.00 179.97 180.54 3hi4 h PHE 143 N 0.98 -0.08 -0.41 3.04 0.04 -1.03 -2.06 116.94 117.41 3hi4 h PHE 143 Ca 0.19 0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.00 3hi4 h PHE 143 Cb 0.46 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 3hi4 h PHE 143 CO 0.03 -0.07 0.22 0.87 -0.60 0.00 0.00 178.31 178.76 3hi4 h LYS 144 N 0.01 0.43 -0.60 1.51 1.57 -0.93 0.79 116.57 119.36 3hi4 h LYS 144 Ca 0.09 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3hi4 h LYS 144 Cb 0.13 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.27 3hi4 h LYS 144 CO -0.19 0.29 0.17 1.15 -0.57 0.00 0.00 179.45 180.29 3hi4 h THR 145 N 0.45 0.69 -0.26 -0.16 2.02 -1.07 -0.68 112.91 113.89 3hi4 h THR 145 Ca 0.17 -0.11 -0.15 0.00 0.77 0.00 0.00 66.41 67.10 3hi4 h THR 145 Cb 0.05 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3hi4 h THR 145 CO -0.10 0.06 -0.41 -0.33 0.37 0.00 0.00 175.52 175.10 3hi4 h GLU 146 N 0.31 0.74 -0.86 6.66 5.08 -0.88 -2.52 114.58 123.11 3hi4 h GLU 146 Ca 0.31 -0.44 0.15 0.00 -1.00 0.00 0.00 59.36 58.38 3hi4 h GLU 146 Cb 0.43 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 3hi4 h GLU 146 CO -0.36 1.07 0.56 -0.07 -1.00 0.00 0.00 179.01 179.20 3hi4 h LEU 147 N 0.47 0.56 -0.28 1.33 3.38 -0.65 -0.45 115.31 119.67 3hi4 h LEU 147 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hi4 h LEU 147 Cb 1.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3hi4 h LEU 147 CO 0.09 0.28 -0.06 0.18 0.09 0.00 0.00 178.44 179.02 3hi4 n LEU 148 N -4.54 0.49 -0.12 1.67 4.77 -0.28 -3.03 117.00 115.96 3hi4 n LEU 148 Ca 0.17 -0.06 -0.23 0.00 -0.03 0.00 0.00 56.01 55.86 3hi4 n LEU 148 Cb 0.51 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 3hi4 n LEU 148 CO 0.30 0.09 -1.16 0.29 -1.33 0.00 0.00 177.39 175.58 3hi4 n LYS 149 N -0.80 0.57 -3.18 3.23 5.02 -0.80 -4.94 118.16 117.26 3hi4 n LYS 149 Ca 0.18 0.26 -0.14 0.00 -2.02 0.00 0.00 58.31 56.59 3hi4 n LYS 149 Cb 0.24 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 3hi4 n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hi4 s ASP 150 N -6.95 0.18 0.42 4.39 -1.08 -0.25 -5.00 116.67 108.39 3hi4 s ASP 150 Ca -0.35 -1.92 0.21 0.00 -0.52 0.00 0.00 52.55 49.97 3hi4 s ASP 150 Cb 0.11 0.85 0.87 0.00 -1.46 0.00 0.00 42.92 43.29 3hi4 s ASP 150 CO 0.47 -0.17 1.82 0.08 0.52 0.00 0.00 175.17 177.89 3hi4 h ARG 151 N 6.09 0.00 -0.01 4.34 0.11 -1.70 -2.09 114.38 121.13 3hi4 h ARG 151 Ca 0.11 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.19 3hi4 h ARG 151 Cb 1.05 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.13 3hi4 h ARG 151 CO 0.18 0.29 -0.00 0.00 0.10 0.00 0.00 179.97 180.53 3hi4 h ALA 152 N 1.71 0.01 -0.17 0.08 0.00 -1.94 -1.55 119.26 117.41 3hi4 h ALA 152 Ca -0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 3hi4 h ALA 152 Cb 0.75 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3hi4 h ALA 152 CO 0.04 -0.30 -0.57 0.37 0.00 0.00 0.00 179.25 178.79 3hi4 h GLN 153 N -0.35 0.54 -0.52 0.00 5.75 -1.97 -1.85 115.11 116.72 3hi4 h GLN 153 Ca 0.00 -0.35 0.09 0.00 -0.15 0.00 0.00 58.65 58.24 3hi4 h GLN 153 Cb 0.37 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.89 3hi4 h GLN 153 CO 0.00 0.96 0.09 0.35 -2.65 0.00 0.00 178.83 177.58 3hi4 h PHE 154 N 0.41 0.13 -0.03 3.99 3.57 -1.34 0.43 116.94 124.11 3hi4 h PHE 154 Ca 0.00 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.36 3hi4 h PHE 154 Cb 1.11 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 3hi4 h PHE 154 CO 0.05 -0.03 -0.75 0.82 -2.23 0.00 0.00 178.31 176.16 3hi4 h ILE 155 N 0.22 1.44 -0.71 1.41 2.04 -1.13 -0.76 117.51 120.01 3hi4 h ILE 155 Ca 0.26 -2.31 0.03 0.00 1.00 0.00 0.00 64.86 63.84 3hi4 h ILE 155 Cb 0.37 2.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 3hi4 h ILE 155 CO -0.36 0.68 0.45 -1.28 0.00 0.00 0.00 178.15 177.64 3hi4 h SER 156 N 0.15 0.75 0.55 1.72 0.87 -0.78 -1.71 113.55 115.09 3hi4 h SER 156 Ca -0.03 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 3hi4 h SER 156 Cb 1.32 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 3hi4 h SER 156 CO 0.12 0.52 -0.57 0.44 -0.53 0.00 0.00 176.83 176.80 3hi4 h ASP 157 N 0.89 0.03 -0.00 6.23 3.32 -0.71 -2.88 116.42 123.29 3hi4 h ASP 157 Ca 0.28 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3hi4 h ASP 157 Cb 0.00 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hi4 h ASP 157 CO -0.10 0.59 0.00 0.15 -1.72 0.00 0.00 179.24 178.16 3hi4 h PHE 158 N 0.02 0.00 -0.83 4.55 3.04 -0.20 -2.97 116.94 120.55 3hi4 h PHE 158 Ca -0.01 0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.09 3hi4 h PHE 158 Cb 1.02 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 39.43 3hi4 h PHE 158 CO 0.00 0.00 0.41 -0.91 -2.02 0.00 0.00 178.31 175.79 3hi4 h ASN 159 N 0.00 0.47 0.47 0.41 2.35 -1.29 -0.05 115.58 117.95 3hi4 h ASN 159 Ca 0.00 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3hi4 h ASN 159 Cb 0.01 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3hi4 h ASN 159 CO -0.00 0.19 -0.23 0.00 -1.65 0.00 0.00 177.43 175.74 3hi4 h ALA 160 N 1.56 -0.64 0.00 -0.83 0.00 -1.73 -1.79 119.26 115.83 3hi4 h ALA 160 Ca 0.46 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3hi4 h ALA 160 Cb 0.66 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3hi4 h ALA 160 CO -0.38 -0.74 -0.25 -1.00 0.00 0.00 0.00 179.25 176.89 3hi4 h PRO 161 N -0.88 0.00 -0.22 0.00 0.13 -1.70 -0.89 132.00 128.44 3hi4 h PRO 161 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3hi4 h PRO 161 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 3hi4 h PRO 161 CO 0.11 0.25 0.10 0.35 -0.23 0.00 0.00 178.00 178.58 3hi4 h PHE 162 N 0.00 0.32 -0.02 1.56 3.04 -0.83 -2.95 116.94 118.06 3hi4 h PHE 162 Ca -0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 3hi4 h PHE 162 Cb 0.83 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.24 3hi4 h PHE 162 CO 0.00 0.32 -0.08 0.66 -2.02 0.00 0.00 178.31 177.19 3hi4 n TYR 163 N -4.84 0.00 -1.96 0.41 4.01 -0.69 -0.28 117.16 113.81 3hi4 n TYR 163 Ca -0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.51 3hi4 n TYR 163 Cb 0.10 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 3hi4 n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hi4 n GLY 164 N 1.27 0.80 0.39 2.72 0.00 -0.62 -4.65 105.19 105.10 3hi4 n GLY 164 Ca 0.16 -0.05 0.19 0.00 0.00 0.00 0.00 46.02 46.32 3hi4 n GLY 164 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hi4 h ILE 165 N 0.00 0.62 0.00 -0.61 1.08 -1.38 0.15 117.51 117.37 3hi4 h ILE 165 Ca -0.44 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 3hi4 h ILE 165 Cb 1.33 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 3hi4 h ILE 165 CO 0.58 0.09 0.00 -0.46 -0.69 0.00 0.00 178.15 177.67 3hi4 n ASN 166 N -4.63 0.05 -1.93 1.72 6.94 -1.24 -2.75 115.26 113.42 3hi4 n ASN 166 Ca 0.23 0.51 -0.23 0.00 -0.02 0.00 0.00 54.58 55.07 3hi4 n ASN 166 Cb 0.74 -0.52 0.07 0.00 -2.36 0.00 0.00 39.78 37.71 3hi4 n ASN 166 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hi4 n LYS 167 N -1.55 3.05 -1.65 -3.83 4.76 0.37 -4.97 118.16 114.34 3hi4 n LYS 167 Ca 0.06 -3.77 -0.14 0.00 -2.87 0.00 0.00 58.31 51.59 3hi4 n LYS 167 Cb 0.28 -2.19 -0.05 0.00 -1.84 0.00 0.00 35.03 31.23 3hi4 n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hi4 n GLY 168 N -0.84 0.87 3.75 0.72 0.00 -1.11 -5.02 105.19 103.56 3hi4 n GLY 168 Ca 0.47 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.11 3hi4 n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hi4 s GLN 169 N -3.62 3.25 -0.21 1.61 -1.52 -0.24 -4.99 119.66 113.95 3hi4 s GLN 169 Ca 0.00 2.12 -0.04 0.00 -1.95 0.00 0.00 55.36 55.49 3hi4 s GLN 169 Cb 0.00 -2.27 -0.02 0.00 -0.22 0.00 0.00 33.01 30.51 3hi4 s GLN 169 CO 0.00 -1.07 -0.03 0.08 -0.25 0.00 0.00 175.29 174.02 3hi4 s VAL 170 N -1.36 3.60 -0.01 1.09 1.01 -1.26 -4.26 120.40 119.21 3hi4 s VAL 170 Ca 0.70 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 3hi4 s VAL 170 Cb -0.38 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.39 3hi4 s VAL 170 CO 0.44 0.42 0.02 -0.69 0.00 0.00 0.00 175.10 175.30 3hi4 s VAL 171 N 1.26 -0.04 0.78 2.92 1.01 -1.26 -4.96 120.40 120.10 3hi4 s VAL 171 Ca 0.03 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 3hi4 s VAL 171 Cb -0.14 -0.06 0.06 0.00 0.00 0.00 0.00 36.38 36.24 3hi4 s VAL 171 CO -0.00 0.06 1.14 -0.94 0.00 0.00 0.00 175.10 175.35 3hi4 s SER 172 N 0.72 4.13 0.27 3.32 1.04 -1.26 -4.93 113.70 116.99 3hi4 s SER 172 Ca -0.06 2.09 -0.03 0.00 0.48 0.00 0.00 55.95 58.43 3hi4 s SER 172 Cb -0.09 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.85 3hi4 s SER 172 CO -0.02 -2.30 1.93 -0.61 0.98 0.00 0.00 173.24 173.23 3hi4 h GLN 173 N -0.87 1.19 -0.65 4.02 5.75 -2.01 -2.55 115.11 119.99 3hi4 h GLN 173 Ca -0.45 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.04 3hi4 h GLN 173 Cb 1.26 -0.27 -0.06 0.00 1.07 0.00 0.00 27.48 29.48 3hi4 h GLN 173 CO 0.49 0.79 0.34 0.78 -2.65 0.00 0.00 178.83 178.57 3hi4 h GLY 174 N 1.22 0.95 1.26 2.39 0.00 -1.99 0.24 103.07 107.14 3hi4 h GLY 174 Ca 0.36 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 3hi4 h GLY 174 CO -0.10 0.12 0.19 -2.08 0.00 0.00 0.00 176.54 174.67 3hi4 h VAL 175 N 0.62 1.23 -0.19 4.60 2.07 -1.84 -0.96 116.25 121.79 3hi4 h VAL 175 Ca 0.30 -0.81 -0.19 0.00 0.82 0.00 0.00 66.70 66.83 3hi4 h VAL 175 Cb 0.23 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3hi4 h VAL 175 CO -0.21 0.31 -0.63 1.56 0.02 0.00 0.00 177.57 178.62 3hi4 h GLN 176 N 0.91 0.66 -0.40 1.57 4.20 -0.97 -1.21 115.11 119.87 3hi4 h GLN 176 Ca 0.20 -0.47 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 3hi4 h GLN 176 Cb 0.26 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3hi4 h GLN 176 CO -0.01 1.09 0.18 1.15 -0.67 0.00 0.00 178.83 180.57 3hi4 h THR 177 N 0.49 1.18 -0.53 -0.54 2.02 -0.26 -2.16 112.91 113.10 3hi4 h THR 177 Ca -0.01 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 3hi4 h THR 177 Cb 1.22 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 3hi4 h THR 177 CO 0.12 0.20 0.04 -0.61 0.37 0.00 0.00 175.52 175.64 3hi4 h GLN 178 N 0.51 0.88 -0.20 6.66 4.15 -1.02 0.53 115.11 126.62 3hi4 h GLN 178 Ca 0.14 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3hi4 h GLN 178 Cb 0.15 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3hi4 h GLN 178 CO -0.02 0.85 0.12 1.15 -1.93 0.00 0.00 178.83 179.01 3hi4 h THR 179 N 0.82 1.04 -0.46 2.39 2.02 -1.04 -1.35 112.91 116.33 3hi4 h THR 179 Ca 0.16 -0.09 -0.13 0.00 0.77 0.00 0.00 66.41 67.12 3hi4 h THR 179 Cb 0.43 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3hi4 h THR 179 CO 0.02 0.05 -0.23 0.25 0.37 0.00 0.00 175.52 175.97 3hi4 h LEU 180 N 0.25 1.00 -0.55 2.58 5.85 -1.04 -1.82 115.31 121.59 3hi4 h LEU 180 Ca 0.07 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3hi4 h LEU 180 Cb -0.02 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3hi4 h LEU 180 CO -0.03 1.18 0.35 -0.61 -0.34 0.00 0.00 178.44 179.00 3hi4 h GLN 181 N 0.82 0.74 -0.27 1.25 4.15 -0.51 0.24 115.11 121.53 3hi4 h GLN 181 Ca 0.10 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3hi4 h GLN 181 Cb 0.81 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 3hi4 h GLN 181 CO 0.07 0.51 0.14 0.82 -1.93 0.00 0.00 178.83 178.44 3hi4 h ILE 182 N 0.74 1.13 -0.46 2.39 2.04 -1.18 -3.02 117.51 119.15 3hi4 h ILE 182 Ca 0.20 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 3hi4 h ILE 182 Cb -0.05 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3hi4 h ILE 182 CO -0.04 0.13 0.09 0.00 0.00 0.00 0.00 178.15 178.34 3hi4 h ALA 183 N 1.01 1.30 0.00 1.87 0.00 -0.44 -2.01 119.26 120.99 3hi4 h ALA 183 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hi4 h ALA 183 Cb 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hi4 h ALA 183 CO -0.01 0.49 0.00 -0.07 0.00 0.00 0.00 179.25 179.66 3hi4 h LEU 184 N 0.68 0.00 -1.78 0.00 3.38 -0.85 -1.85 115.31 114.89 3hi4 h LEU 184 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3hi4 h LEU 184 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hi4 h LEU 184 CO 0.00 0.00 -0.14 -0.07 0.09 0.00 0.00 178.44 178.32 3hi4 h LEU 185 N 0.00 0.00-10.36 1.67 3.38 -1.35 -3.46 115.31 105.19 3hi4 h LEU 185 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3hi4 h LEU 185 Cb 0.45 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.30 3hi4 h LEU 185 CO 0.00 0.14 0.36 0.00 0.09 0.00 0.00 178.44 179.03 3hi4 s ALA 186 N -4.10 2.57 0.25 1.53 0.00 -0.70 -4.48 121.76 116.82 3hi4 s ALA 186 Ca -0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 3hi4 s ALA 186 Cb 0.13 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 3hi4 s ALA 186 CO 0.59 -1.36 1.08 0.45 0.00 0.00 0.00 175.76 176.53 3hi4 s SER 187 N -3.85 7.31 0.21 0.00 0.15 0.92 -4.94 113.70 113.51 3hi4 s SER 187 Ca 0.59 2.19 -0.09 0.00 0.70 0.00 0.00 55.95 59.33 3hi4 s SER 187 Cb -0.14 -2.62 0.29 0.00 -1.71 0.00 0.00 66.02 61.84 3hi4 s SER 187 CO 0.55 -0.13 1.75 0.25 1.20 0.00 0.00 173.24 176.86 3hi4 h LEU 188 N 4.19 0.27 -0.53 3.45 5.85 -1.95 -0.73 115.31 125.85 3hi4 h LEU 188 Ca -0.46 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 3hi4 h LEU 188 Cb 1.21 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3hi4 h LEU 188 CO 0.68 0.16 0.18 0.50 -0.34 0.00 0.00 178.44 179.62 3hi4 h LYS 189 N 0.44 0.82 -0.10 1.25 1.63 -1.96 -2.03 116.57 116.62 3hi4 h LYS 189 Ca 0.32 -0.17 -0.13 0.00 -0.85 0.00 0.00 60.65 59.82 3hi4 h LYS 189 Cb 0.38 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 3hi4 h LYS 189 CO -0.30 0.75 -0.49 0.00 -3.45 0.00 0.00 179.45 175.95 3hi4 h ALA 190 N 1.04 0.98 -0.65 5.00 0.00 -1.78 0.46 119.26 124.30 3hi4 h ALA 190 Ca 0.17 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 3hi4 h ALA 190 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hi4 h ALA 190 CO -0.01 0.65 0.07 1.15 0.00 0.00 0.00 179.25 181.11 3hi4 h THR 191 N 0.21 1.26 0.00 0.00 2.02 -0.63 -1.11 112.91 114.67 3hi4 h THR 191 Ca 0.01 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 3hi4 h THR 191 Cb 0.94 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3hi4 h THR 191 CO 0.08 0.40 -0.00 0.58 0.37 0.00 0.00 175.52 176.95 3hi4 h VAL 192 N 1.02 1.63 -0.62 3.16 2.07 -1.25 -3.28 116.25 118.98 3hi4 h VAL 192 Ca 0.19 -1.91 0.05 0.00 0.82 0.00 0.00 66.70 65.86 3hi4 h VAL 192 Cb 0.49 2.91 -0.04 0.00 -1.52 0.00 0.00 31.29 33.13 3hi4 h VAL 192 CO 0.02 0.49 0.41 0.44 0.02 0.00 0.00 177.57 178.95 3hi4 h ASP 193 N -0.82 0.57 -0.87 0.57 3.32 -0.85 -2.54 116.42 115.79 3hi4 h ASP 193 Ca -0.00 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3hi4 h ASP 193 Cb 0.81 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 3hi4 h ASP 193 CO 0.00 0.38 0.57 0.00 -1.72 0.00 0.00 179.24 178.47 3hi4 h VAL 195 N 1.13 1.14 -0.26 0.00 2.07 -1.52 0.17 116.25 118.98 3hi4 h VAL 195 Ca 0.33 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.50 3hi4 h VAL 195 Cb -0.04 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 3hi4 h VAL 195 CO -0.09 0.14 -0.28 0.74 0.02 0.00 0.00 177.57 178.09 3hi4 h THR 196 N 0.13 0.32 -0.73 2.57 2.02 -1.24 -1.09 112.91 114.90 3hi4 h THR 196 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 3hi4 h THR 196 Cb 0.15 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 3hi4 h THR 196 CO -0.01 0.00 0.44 0.00 0.37 0.00 0.00 175.52 176.32 3hi4 h ALA 197 N 0.70 0.97 0.00 6.16 0.00 -0.53 -2.44 119.26 124.13 3hi4 h ALA 197 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hi4 h ALA 197 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hi4 h ALA 197 CO -0.42 0.17 -0.46 0.27 0.00 0.00 0.00 179.25 178.80 3hi4 h PHE 198 N 0.82 0.00 -0.07 0.00 -5.15 -0.49 -2.45 116.94 109.60 3hi4 h PHE 198 Ca 0.31 0.00 -0.21 0.00 -0.20 0.00 0.00 57.97 57.87 3hi4 h PHE 198 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.29 3hi4 h PHE 198 CO -0.05 0.00 -0.81 0.00 -2.00 0.00 0.00 178.31 175.44 3hi4 h ALA 199 N 2.45 0.45 0.00 12.09 0.00 -0.74 -3.39 119.26 130.13 3hi4 h ALA 199 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3hi4 h ALA 199 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hi4 h ALA 199 CO 0.00 0.76 -0.40 0.39 0.00 0.00 0.00 179.25 179.99 3hi4 n GLU 200 N -3.83 4.40 -2.60 0.00 1.02 -1.01 -1.72 120.64 116.90 3hi4 n GLU 200 Ca -0.06 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 3hi4 n GLU 200 Cb 0.76 -0.74 -0.03 0.00 -0.02 0.00 0.00 31.44 31.41 3hi4 n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hi4 s THR 201 N -1.49 4.55 -0.37 2.62 2.01 -0.93 -5.00 115.64 117.04 3hi4 s THR 201 Ca 0.00 1.83 -0.18 0.00 0.31 0.00 0.00 61.69 63.65 3hi4 s THR 201 Cb 0.01 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.35 3hi4 s THR 201 CO 0.09 0.15 0.52 -0.62 -0.69 0.00 0.00 174.62 174.06 3hi4 s ASP 202 N 1.00 6.30 0.00 3.53 -1.08 -1.26 -4.59 116.67 120.57 3hi4 s ASP 202 Ca 0.54 -0.16 0.21 0.00 -0.52 0.00 0.00 52.55 52.63 3hi4 s ASP 202 Cb -0.24 -2.27 0.40 0.00 -1.46 0.00 0.00 42.92 39.36 3hi4 s ASP 202 CO 0.29 -0.53 1.36 0.49 0.52 0.00 0.00 175.17 177.29 3hi4 n PHE 203 N 5.78 0.50 -0.31 -5.34 3.72 0.55 -4.50 117.46 117.86 3hi4 n PHE 203 Ca -0.05 -0.27 0.09 0.00 -0.05 0.00 0.00 57.45 57.17 3hi4 n PHE 203 Cb 0.49 -0.00 0.25 0.00 -0.94 0.00 0.00 39.48 39.27 3hi4 n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hi4 h ARG 204 N 4.10 0.62 -0.44 -1.08 3.08 -1.81 -0.44 114.38 118.41 3hi4 h ARG 204 Ca 0.00 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3hi4 h ARG 204 Cb 0.93 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3hi4 h ARG 204 CO 0.00 0.41 0.00 -1.35 -1.07 0.00 0.00 179.97 177.96 3hi4 h PRO 205 N 0.64 0.72 -0.76 0.04 0.11 -1.92 -2.18 132.00 128.66 3hi4 h PRO 205 Ca 0.49 -0.18 0.07 0.00 0.11 0.00 0.00 66.00 66.49 3hi4 h PRO 205 Cb 0.72 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.70 3hi4 h PRO 205 CO -0.38 0.73 0.50 -0.44 -0.21 0.00 0.00 178.00 178.21 3hi4 h ASP 206 N 0.68 0.71 -0.65 -2.05 5.19 -1.42 -2.43 116.42 116.45 3hi4 h ASP 206 Ca 0.14 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 3hi4 h ASP 206 Cb 0.42 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 3hi4 h ASP 206 CO 0.02 0.45 0.32 0.24 -3.12 0.00 0.00 179.24 177.15 3hi4 h MET 207 N 0.80 0.96 0.00 3.56 2.86 -0.62 -1.41 114.93 121.08 3hi4 h MET 207 Ca 0.33 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3hi4 h MET 207 Cb 0.27 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3hi4 h MET 207 CO -0.11 0.74 0.00 0.00 1.06 0.00 0.00 176.91 178.60 3hi4 h ALA 208 N 1.40 1.00 -0.01 6.32 0.00 -1.47 -2.68 119.26 123.82 3hi4 h ALA 208 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3hi4 h ALA 208 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hi4 h ALA 208 CO -0.03 0.00 -0.14 1.63 0.00 0.00 0.00 179.25 180.71 3hi4 n LYS 209 N -3.07 1.00 -2.71 0.00 5.02 -0.54 -4.82 118.16 113.04 3hi4 n LYS 209 Ca 0.01 -0.51 -0.42 0.00 -2.02 0.00 0.00 58.31 55.37 3hi4 n LYS 209 Cb 0.35 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 3hi4 n LYS 209 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hi4 s ILE 210 N -2.35 4.15 -0.35 -0.18 1.01 -1.01 -4.86 121.20 117.60 3hi4 s ILE 210 Ca 0.30 0.41 0.06 0.00 0.00 0.00 0.00 60.65 61.42 3hi4 s ILE 210 Cb 0.20 -4.68 0.46 0.00 0.01 0.00 0.00 42.46 38.45 3hi4 s ILE 210 CO 0.46 -1.36 1.39 -0.90 0.00 0.00 0.00 174.94 174.52 3hi4 n ASP 211 N 8.13 4.84 -4.24 3.58 5.75 -1.26 -4.47 116.55 128.88 3hi4 n ASP 211 Ca 0.03 -3.78 -0.14 0.00 -0.01 0.00 0.00 54.79 50.89 3hi4 n ASP 211 Cb 0.48 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 3hi4 n ASP 211 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3hi4 s VAL 212 N -4.35 1.15 0.25 2.12 -7.23 -1.26 -5.11 120.40 105.97 3hi4 s VAL 212 Ca 0.52 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.38 3hi4 s VAL 212 Cb 0.43 -1.78 -0.13 0.00 0.56 0.00 0.00 36.38 35.46 3hi4 s VAL 212 CO 0.02 -0.71 1.50 -2.65 -0.31 0.00 0.00 175.10 172.94 3hi4 n PRO 213 N -0.08 2.28 -3.99 4.82 -0.02 -1.26 -4.77 135.00 131.99 3hi4 n PRO 213 Ca -0.11 0.81 -0.17 0.00 -2.02 0.00 0.00 63.50 62.01 3hi4 n PRO 213 Cb 0.60 -2.53 -0.16 0.00 -0.02 0.00 0.00 33.50 31.39 3hi4 n PRO 213 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hi4 s THR 214 N 0.10 0.25 -0.13 3.45 2.01 -1.25 -0.97 115.64 119.10 3hi4 s THR 214 Ca 0.68 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.72 3hi4 s THR 214 Cb -0.60 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.59 3hi4 s THR 214 CO 0.47 0.15 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.16 3hi4 s LEU 215 N 0.88 2.44 -0.20 4.42 2.96 0.20 -0.64 118.68 128.75 3hi4 s LEU 215 Ca -0.09 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 3hi4 s LEU 215 Cb -0.13 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 3hi4 s LEU 215 CO -0.01 0.13 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.45 3hi4 s VAL 216 N 0.55 3.87 -0.05 1.68 1.01 0.95 -0.81 120.40 127.59 3hi4 s VAL 216 Ca -0.10 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.59 3hi4 s VAL 216 Cb -0.16 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3hi4 s VAL 216 CO 0.04 0.43 -0.21 -0.63 0.00 0.00 0.00 175.10 174.73 3hi4 s ILE 217 N 1.00 2.44 -0.09 2.22 1.01 0.26 -0.48 121.20 127.57 3hi4 s ILE 217 Ca 0.01 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 3hi4 s ILE 217 Cb -0.14 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.44 3hi4 s ILE 217 CO 0.01 0.57 0.35 -2.28 0.00 0.00 0.00 174.94 173.60 3hi4 s HIS 218 N -0.38 -0.33 0.01 3.97 2.46 -0.86 -0.65 115.29 119.51 3hi4 s HIS 218 Ca 0.03 0.72 -0.23 0.00 0.47 0.00 0.00 55.06 56.05 3hi4 s HIS 218 Cb -0.12 0.13 -0.05 0.00 -0.13 0.00 0.00 32.58 32.41 3hi4 s HIS 218 CO 0.02 -0.28 0.69 0.20 -2.47 0.00 0.00 174.74 172.90 3hi4 s GLY 219 N -0.40 2.69 0.00 1.59 0.00 -1.26 -0.92 107.32 109.01 3hi4 s GLY 219 Ca -0.05 0.16 0.22 0.00 0.00 0.00 0.00 44.72 45.05 3hi4 s GLY 219 CO 0.02 0.97 1.71 2.09 0.00 0.00 0.00 173.10 177.90 3hi4 n ASP 220 N 2.93 0.76 -1.73 1.64 5.75 -0.96 -2.37 116.55 122.56 3hi4 n ASP 220 Ca -0.04 -1.49 0.09 0.00 -0.01 0.00 0.00 54.79 53.34 3hi4 n ASP 220 Cb 0.51 -0.04 0.38 0.00 -1.03 0.00 0.00 41.12 40.94 3hi4 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hi4 n GLY 221 N 0.97 2.82 3.62 6.12 0.00 -0.24 -4.78 105.19 113.71 3hi4 n GLY 221 Ca 0.16 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 3hi4 n GLY 221 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hi4 s ASP 222 N -0.85 5.96 0.10 1.61 -1.08 -1.00 -4.51 116.67 116.89 3hi4 s ASP 222 Ca 0.53 1.74 0.26 0.00 -0.52 0.00 0.00 52.55 54.57 3hi4 s ASP 222 Cb 0.37 -2.52 0.81 0.00 -1.46 0.00 0.00 42.92 40.11 3hi4 s ASP 222 CO 0.22 -1.58 1.69 0.00 0.52 0.00 0.00 175.17 176.01 3hi4 n GLN 223 N 8.21 0.15 -0.13 4.34 6.02 -1.26 -4.28 117.38 130.44 3hi4 n GLN 223 Ca 0.24 0.09 -0.26 0.00 -0.01 0.00 0.00 57.00 57.06 3hi4 n GLN 223 Cb 0.45 -1.65 -0.09 0.00 1.02 0.00 0.00 30.24 29.97 3hi4 n GLN 223 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3hi4 n ILE 224 N -1.89 1.39 -3.95 5.09 2.08 -1.26 -4.87 119.36 115.95 3hi4 n ILE 224 Ca 0.06 -0.37 -0.31 0.00 0.56 0.00 0.00 62.75 62.69 3hi4 n ILE 224 Cb 0.39 -1.79 -0.15 0.00 -0.75 0.00 0.00 39.64 37.34 3hi4 n ILE 224 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3hi4 s VAL 225 N -2.47 1.95 -0.01 1.39 1.01 -1.26 -5.08 120.40 115.93 3hi4 s VAL 225 Ca -0.35 -2.17 -0.30 0.00 0.00 0.00 0.00 61.98 59.16 3hi4 s VAL 225 Cb 0.13 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 3hi4 s VAL 225 CO 0.46 -0.63 1.80 -2.16 0.00 0.00 0.00 175.10 174.57 3hi4 s PRO 226 N 1.02 4.16 0.29 2.72 0.04 -1.26 -4.74 135.00 137.23 3hi4 s PRO 226 Ca 0.11 2.39 -0.00 0.00 0.04 0.00 0.00 61.00 63.54 3hi4 s PRO 226 Cb -0.19 -4.07 0.67 0.00 0.04 0.00 0.00 34.50 30.95 3hi4 s PRO 226 CO -0.12 -0.90 1.60 0.35 0.04 0.00 0.00 177.00 177.98 3hi4 h PHE 227 N 10.03 0.04 -0.02 0.56 3.04 -1.80 -2.82 116.94 125.97 3hi4 h PHE 227 Ca -0.44 0.06 -0.14 0.00 3.98 0.00 0.00 57.97 61.43 3hi4 h PHE 227 Cb 1.21 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.83 3hi4 h PHE 227 CO 0.92 -0.34 -0.62 0.93 -2.02 0.00 0.00 178.31 177.18 3hi4 h GLU 228 N 0.07 0.08 -0.38 1.11 4.39 -1.95 -1.96 114.58 115.94 3hi4 h GLU 228 Ca 0.54 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.19 3hi4 h GLU 228 Cb 1.09 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3hi4 h GLU 228 CO -0.80 0.68 0.00 0.25 -1.16 0.00 0.00 179.01 177.97 3hi4 n THR 229 N -3.82 0.75 0.00 1.13 -2.24 -1.11 -4.38 114.28 104.60 3hi4 n THR 229 Ca -0.02 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 3hi4 n THR 229 Cb 0.62 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3hi4 n THR 229 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hi4 n THR 230 N 0.95 0.00 -0.27 4.28 -2.24 -1.03 -4.61 114.28 111.36 3hi4 n THR 230 Ca 0.15 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.01 3hi4 n THR 230 Cb 0.48 -0.13 0.21 0.00 -2.10 0.00 0.00 70.33 68.79 3hi4 n THR 230 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hi4 h GLY 231 N 0.00 1.07 1.02 3.38 0.00 -1.61 0.37 103.07 107.31 3hi4 h GLY 231 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3hi4 h GLY 231 CO 0.00 -0.28 0.38 1.70 0.00 0.00 0.00 176.54 178.34 3hi4 h LYS 232 N 0.20 1.10 -0.01 4.80 3.64 -1.61 -0.98 116.57 123.70 3hi4 h LYS 232 Ca 0.46 -0.16 -0.25 0.00 -1.27 0.00 0.00 60.65 59.43 3hi4 h LYS 232 Cb 0.84 -0.20 0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3hi4 h LYS 232 CO -0.61 0.85 -1.00 0.28 -2.27 0.00 0.00 179.45 176.70 3hi4 h VAL 233 N 1.08 1.31 -0.71 2.00 2.07 -1.15 -2.94 116.25 117.90 3hi4 h VAL 233 Ca 0.26 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.50 3hi4 h VAL 233 Cb 0.11 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 3hi4 h VAL 233 CO -0.03 0.70 0.45 0.00 0.02 0.00 0.00 177.57 178.70 3hi4 h ALA 234 N 0.50 0.91 -0.60 1.67 0.00 -0.02 0.64 119.26 122.35 3hi4 h ALA 234 Ca -0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3hi4 h ALA 234 Cb 1.65 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3hi4 h ALA 234 CO 0.19 0.36 0.26 0.00 0.00 0.00 0.00 179.25 180.07 3hi4 h ALA 235 N 1.24 1.33 -0.21 0.00 0.00 -1.16 -2.65 119.26 117.80 3hi4 h ALA 235 Ca 0.26 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 3hi4 h ALA 235 Cb -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3hi4 h ALA 235 CO -0.05 0.51 -0.58 0.93 0.00 0.00 0.00 179.25 180.06 3hi4 h GLU 236 N 0.85 0.68 0.00 0.00 5.08 -1.23 -3.33 114.58 116.64 3hi4 h GLU 236 Ca 0.21 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3hi4 h GLU 236 Cb 0.13 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hi4 h GLU 236 CO -0.02 1.07 0.00 -0.07 -1.00 0.00 0.00 179.01 178.99 3hi4 h LEU 237 N 0.51 0.00 -8.97 1.33 3.38 -0.57 -3.44 115.31 107.55 3hi4 h LEU 237 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.35 3hi4 h LEU 237 Cb 1.16 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.74 3hi4 h LEU 237 CO 0.12 0.00 -0.56 -0.63 0.09 0.00 0.00 178.44 177.46 3hi4 s ILE 238 N -3.31 4.89 0.18 1.22 1.01 -1.03 -4.53 121.20 119.63 3hi4 s ILE 238 Ca 0.06 0.01 -0.32 0.00 0.00 0.00 0.00 60.65 60.41 3hi4 s ILE 238 Cb 0.07 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 39.18 3hi4 s ILE 238 CO 0.61 0.38 1.67 -0.75 0.00 0.00 0.00 174.94 176.85 3hi4 s LYS 239 N 0.99 4.16 0.00 2.79 2.20 -1.26 -2.19 119.74 126.43 3hi4 s LYS 239 Ca 0.05 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 3hi4 s LYS 239 Cb -0.14 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 3hi4 s LYS 239 CO 0.03 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 3hi4 n GLY 240 N 3.91 0.69 3.77 5.54 0.00 -1.26 -4.88 105.19 112.96 3hi4 n GLY 240 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3hi4 n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi4 n ALA 241 N 1.00 2.19 -2.84 4.61 0.00 -0.93 -4.68 120.51 119.85 3hi4 n ALA 241 Ca 0.00 0.31 -0.35 0.00 0.00 0.00 0.00 53.44 53.39 3hi4 n ALA 241 Cb 0.02 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 17.01 3hi4 n ALA 241 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hi4 s GLU 242 N -2.23 3.31 -0.15 0.00 2.12 0.18 -4.95 118.70 116.99 3hi4 s GLU 242 Ca 0.56 -0.26 -0.01 0.00 0.36 0.00 0.00 54.97 55.62 3hi4 s GLU 242 Cb -0.47 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 3hi4 s GLU 242 CO 0.61 0.73 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.77 3hi4 s LEU 243 N -1.27 2.71 -0.10 2.70 2.96 -1.26 -0.04 118.68 124.37 3hi4 s LEU 243 Ca 0.18 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3hi4 s LEU 243 Cb -0.12 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 3hi4 s LEU 243 CO 0.08 0.12 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.46 3hi4 s LYS 244 N 0.62 3.09 -0.21 1.98 1.02 0.37 -4.96 119.74 121.66 3hi4 s LYS 244 Ca -0.07 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.02 3hi4 s LYS 244 Cb -0.15 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 3hi4 s LYS 244 CO 0.03 0.19 -0.00 0.08 -0.92 0.00 0.00 175.35 174.72 3hi4 s VAL 245 N 0.33 3.82 -0.31 3.17 1.01 -1.26 -2.03 120.40 125.13 3hi4 s VAL 245 Ca -0.18 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 3hi4 s VAL 245 Cb -0.18 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3hi4 s VAL 245 CO 0.08 0.41 0.52 -0.31 0.00 0.00 0.00 175.10 175.81 3hi4 s TYR 246 N 1.21 3.21 0.14 5.22 1.51 -0.10 -4.93 117.35 123.61 3hi4 s TYR 246 Ca 0.03 0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 56.18 3hi4 s TYR 246 Cb -0.15 -2.85 -0.11 0.00 -0.11 0.00 0.00 41.96 38.75 3hi4 s TYR 246 CO 0.01 -0.43 1.83 1.17 -1.11 0.00 0.00 175.55 177.02 3hi4 n LYS 247 N 5.67 2.81 -0.87 -0.62 4.81 -1.26 -1.84 118.16 126.87 3hi4 n LYS 247 Ca -0.04 1.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 3hi4 n LYS 247 Cb 0.49 -2.91 0.00 0.00 0.02 0.00 0.00 35.03 32.63 3hi4 n LYS 247 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hi4 n ASP 248 N 5.44 -4.82 -4.76 3.14 8.00 -1.26 -4.87 116.55 117.42 3hi4 n ASP 248 Ca 0.18 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.33 3hi4 n ASP 248 Cb 0.37 -3.16 0.03 0.00 -0.02 0.00 0.00 41.12 38.35 3hi4 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hi4 s ALA 249 N -0.93 2.53 0.83 2.24 0.00 -0.76 -4.22 121.76 121.45 3hi4 s ALA 249 Ca 0.00 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 3hi4 s ALA 249 Cb 0.00 -3.41 0.14 0.00 0.00 0.00 0.00 23.12 19.86 3hi4 s ALA 249 CO 0.00 -1.14 0.89 -0.35 0.00 0.00 0.00 175.76 175.16 3hi4 n PRO 250 N -1.76 -0.47 -0.02 0.00 -0.04 -1.26 -1.07 135.00 130.38 3hi4 n PRO 250 Ca 0.12 -1.83 -0.10 0.00 -0.04 0.00 0.00 63.50 61.66 3hi4 n PRO 250 Cb 0.50 -0.78 -0.04 0.00 -0.04 0.00 0.00 33.50 33.14 3hi4 n PRO 250 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3hi4 h HIS 251 N -1.07 -0.03 0.00 0.54 -0.00 -1.78 -3.26 115.15 109.55 3hi4 h HIS 251 Ca -0.29 0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 59.88 3hi4 h HIS 251 Cb 0.92 0.04 -0.06 0.00 -0.00 0.00 0.00 27.41 28.31 3hi4 h HIS 251 CO 0.00 -0.03 0.04 0.41 -0.00 0.00 0.00 177.93 178.35 3hi4 n GLY 252 N -1.16 2.93 0.02 5.26 0.00 0.62 -4.54 105.19 108.32 3hi4 n GLY 252 Ca -0.04 -1.13 0.13 0.00 0.00 0.00 0.00 46.02 44.99 3hi4 n GLY 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hi4 n PHE 253 N 2.65 0.21 0.15 1.61 1.16 -1.23 -1.91 117.46 120.09 3hi4 n PHE 253 Ca 0.42 0.06 0.18 0.00 -1.87 0.00 0.00 57.45 56.24 3hi4 n PHE 253 Cb 0.78 -0.54 0.77 0.00 -1.61 0.00 0.00 39.48 38.89 3hi4 n PHE 253 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3hi4 h ALA 254 N 2.88 2.02 0.00 1.98 0.00 -1.88 0.36 119.26 124.61 3hi4 h ALA 254 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3hi4 h ALA 254 Cb 0.56 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hi4 h ALA 254 CO 0.00 -0.42 -1.09 0.28 0.00 0.00 0.00 179.25 178.02 3hi4 n VAL 255 N -3.94 1.48 0.20 0.00 0.31 -0.80 -3.62 118.33 111.97 3hi4 n VAL 255 Ca 0.04 0.05 0.04 0.00 -0.01 0.00 0.00 64.34 64.46 3hi4 n VAL 255 Cb 0.43 -2.21 0.42 0.00 -0.91 0.00 0.00 33.84 31.57 3hi4 n VAL 255 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3hi4 h THR 256 N -1.00 1.20 -0.39 2.52 1.35 -1.48 -3.04 112.91 112.08 3hi4 h THR 256 Ca -0.21 -0.98 -0.29 0.00 -0.55 0.00 0.00 66.41 64.39 3hi4 h THR 256 Cb 0.98 1.53 -0.23 0.00 -1.73 0.00 0.00 68.15 68.70 3hi4 h THR 256 CO -0.13 0.28 -0.68 1.41 -0.25 0.00 0.00 175.52 176.15 3hi4 n HIS 257 N -4.20 1.42 -0.19 4.73 -0.00 0.11 -4.91 115.22 112.17 3hi4 n HIS 257 Ca -0.02 -1.86 -0.00 0.00 -0.00 0.00 0.00 57.72 55.84 3hi4 n HIS 257 Cb 0.33 -0.29 0.09 0.00 -0.00 0.00 0.00 29.99 30.12 3hi4 n HIS 257 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hi4 h ALA 258 N 1.63 0.63 -0.05 -1.41 0.00 -1.55 -0.46 119.26 118.05 3hi4 h ALA 258 Ca 0.18 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3hi4 h ALA 258 Cb 1.30 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hi4 h ALA 258 CO 0.39 -0.34 -0.03 0.37 0.00 0.00 0.00 179.25 179.64 3hi4 h GLN 259 N 0.20 0.11 -0.62 0.00 4.15 -1.89 0.98 115.11 118.04 3hi4 h GLN 259 Ca 0.30 -0.05 0.10 0.00 0.77 0.00 0.00 58.65 59.77 3hi4 h GLN 259 Cb 0.45 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.06 3hi4 h GLN 259 CO -0.42 0.52 0.21 0.37 -1.93 0.00 0.00 178.83 177.58 3hi4 h GLN 260 N -0.31 0.36 -0.89 1.69 4.15 -1.94 -0.67 115.11 117.50 3hi4 h GLN 260 Ca 0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 3hi4 h GLN 260 Cb 0.49 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 3hi4 h GLN 260 CO 0.01 0.24 0.54 1.25 -1.93 0.00 0.00 178.83 178.94 3hi4 h LEU 261 N 0.37 1.06 -0.30 -2.39 5.85 -0.81 -0.46 115.31 118.63 3hi4 h LEU 261 Ca 0.32 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3hi4 h LEU 261 Cb 0.43 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3hi4 h LEU 261 CO -0.34 0.81 0.17 0.78 -0.34 0.00 0.00 178.44 179.51 3hi4 h ASN 262 N 1.22 0.37 -0.47 1.25 2.35 0.24 0.04 115.58 120.59 3hi4 h ASN 262 Ca 0.32 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.88 3hi4 h ASN 262 Cb -0.06 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3hi4 h ASN 262 CO -0.06 0.35 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.60 3hi4 h GLU 263 N 0.37 0.92 -0.60 0.81 5.08 -1.04 -0.20 114.58 119.92 3hi4 h GLU 263 Ca 0.11 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 3hi4 h GLU 263 Cb 0.06 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3hi4 h GLU 263 CO -0.02 1.02 0.17 -0.44 -1.00 0.00 0.00 179.01 178.75 3hi4 h ASP 264 N 0.77 0.86 -0.42 1.42 3.32 -0.75 0.18 116.42 121.80 3hi4 h ASP 264 Ca 0.11 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3hi4 h ASP 264 Cb 0.70 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3hi4 h ASP 264 CO 0.05 0.82 0.14 -0.07 -1.72 0.00 0.00 179.24 178.46 3hi4 h LEU 265 N 0.89 0.60 -0.61 1.55 3.38 -0.66 0.30 115.31 120.76 3hi4 h LEU 265 Ca 0.20 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hi4 h LEU 265 Cb 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hi4 h LEU 265 CO -0.01 0.64 0.28 0.25 0.09 0.00 0.00 178.44 179.69 3hi4 h LEU 266 N 0.53 0.81 -0.70 1.67 5.85 -0.74 -0.57 115.31 122.16 3hi4 h LEU 266 Ca 0.14 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 3hi4 h LEU 266 Cb 0.25 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3hi4 h LEU 266 CO -0.01 0.73 -0.56 0.00 -0.34 0.00 0.00 178.44 178.26 3hi4 h ALA 267 N 1.11 0.89 -0.37 1.25 0.00 -0.43 -1.74 119.26 119.97 3hi4 h ALA 267 Ca 0.21 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3hi4 h ALA 267 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hi4 h ALA 267 CO -0.02 0.70 0.06 0.35 0.00 0.00 0.00 179.25 180.34 3hi4 h PHE 268 N 0.21 0.65 -0.40 0.00 3.57 -0.58 -2.35 116.94 118.05 3hi4 h PHE 268 Ca 0.00 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.45 3hi4 h PHE 268 Cb 1.04 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3hi4 h PHE 268 CO 0.02 0.66 0.27 -0.07 -2.23 0.00 0.00 178.31 176.96 3hi4 h LEU 269 N 0.46 0.34 -0.05 0.59 3.38 -0.92 -2.94 115.31 116.17 3hi4 h LEU 269 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hi4 h LEU 269 Cb 0.36 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hi4 h LEU 269 CO 0.01 0.23 -0.23 0.29 0.09 0.00 0.00 178.44 178.83 3hi4 n LYS 270 N -4.48 0.13 0.00 1.13 5.02 -0.67 -5.10 118.16 114.19 3hi4 n LYS 270 Ca 0.04 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3hi4 n LYS 270 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3hi4 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77