#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 0.39 0.12 0.44 -4.23 -1.26 -0.87 115.64 110.23 3hi4 s THR 2 Ca 0.00 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3hi4 s THR 2 Cb 0.00 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 3hi4 s THR 2 CO 0.00 -0.73 0.01 0.72 -0.54 0.00 0.00 174.62 174.07 3hi4 s PHE 3 N -2.80 0.91 -0.16 3.99 -0.12 -0.78 -4.95 117.98 114.06 3hi4 s PHE 3 Ca -0.00 -1.09 -0.01 0.00 -0.05 0.00 0.00 56.93 55.78 3hi4 s PHE 3 Cb -0.00 -0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 41.85 3hi4 s PHE 3 CO -0.05 -0.34 -0.11 0.08 -0.05 0.00 0.00 175.22 174.75 3hi4 s VAL 4 N -3.84 3.00 0.89 -2.49 1.01 -1.26 -0.42 120.40 117.29 3hi4 s VAL 4 Ca 0.19 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 3hi4 s VAL 4 Cb 0.07 -2.29 0.15 0.00 0.00 0.00 0.00 36.38 34.31 3hi4 s VAL 4 CO -0.01 0.50 1.25 0.00 0.00 0.00 0.00 175.10 176.83 3hi4 s ALA 5 N 0.83 2.49 0.35 5.51 0.00 0.59 -4.90 121.76 126.64 3hi4 s ALA 5 Ca -0.04 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 50.93 3hi4 s ALA 5 Cb -0.15 -2.78 0.65 0.00 0.00 0.00 0.00 23.12 20.84 3hi4 s ALA 5 CO 0.00 -2.10 1.90 1.57 0.00 0.00 0.00 175.76 177.13 3hi4 h LYS 6 N -1.35 0.49 -0.19 0.00 2.10 -1.97 -0.03 116.57 115.62 3hi4 h LYS 6 Ca -0.44 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 3hi4 h LYS 6 Cb 1.27 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3hi4 h LYS 6 CO 0.48 0.51 0.00 -0.40 -2.00 0.00 0.00 179.45 178.04 3hi4 n ASP 7 N -4.30 0.97 0.00 7.07 5.68 -1.26 -4.87 116.55 119.84 3hi4 n ASP 7 Ca 0.01 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 3hi4 n ASP 7 Cb 0.23 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 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 0.77 0.50 3.67 6.12 0.00 -0.03 -5.04 105.19 111.18 3hi4 n GLY 8 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.21 4.14 -0.02 2.61 2.01 -1.25 -4.67 115.64 116.24 3hi4 s THR 9 Ca 0.00 1.41 -0.29 0.00 0.31 0.00 0.00 61.69 63.12 3hi4 s THR 9 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 3hi4 s THR 9 CO 0.00 -0.09 0.96 -1.58 -0.69 0.00 0.00 174.62 173.22 3hi4 s GLN 10 N 3.17 4.52 -0.13 4.92 0.74 -1.26 -0.30 119.66 131.32 3hi4 s GLN 10 Ca 0.58 1.36 0.01 0.00 0.05 0.00 0.00 55.36 57.36 3hi4 s GLN 10 Cb -0.25 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.41 3hi4 s GLN 10 CO 0.19 -0.09 -0.16 0.42 -0.55 0.00 0.00 175.29 175.11 3hi4 s ILE 11 N 1.16 1.63 0.26 -2.34 1.01 0.44 -0.90 121.20 122.48 3hi4 s ILE 11 Ca 0.50 -0.70 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 3hi4 s ILE 11 Cb -0.20 -1.50 -0.09 0.00 0.01 0.00 0.00 42.46 40.68 3hi4 s ILE 11 CO 0.25 0.47 0.95 -0.47 0.00 0.00 0.00 174.94 176.14 3hi4 s TYR 12 N 1.19 3.89 0.14 3.97 5.04 -1.26 -1.87 117.35 128.45 3hi4 s TYR 12 Ca -0.01 1.88 -0.08 0.00 -2.44 0.00 0.00 57.07 56.41 3hi4 s TYR 12 Cb -0.14 -2.98 -0.01 0.00 0.35 0.00 0.00 41.96 39.18 3hi4 s TYR 12 CO -0.06 0.35 0.23 -0.59 -1.34 0.00 0.00 175.55 174.15 3hi4 s PHE 13 N -1.30 0.37 0.01 4.97 -0.71 -0.05 -0.71 117.98 120.57 3hi4 s PHE 13 Ca 0.44 -0.76 0.06 0.00 -1.04 0.00 0.00 56.93 55.63 3hi4 s PHE 13 Cb -0.24 -0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.44 3hi4 s PHE 13 CO 0.30 -0.65 -0.15 0.15 -1.34 0.00 0.00 175.22 173.53 3hi4 s LYS 14 N -3.94 2.27 -0.25 1.99 1.02 0.63 -1.04 119.74 120.42 3hi4 s LYS 14 Ca 0.14 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.24 3hi4 s LYS 14 Cb 0.04 -2.29 0.08 0.00 -0.52 0.00 0.00 37.83 35.14 3hi4 s LYS 14 CO -0.03 0.57 0.08 0.34 -0.92 0.00 0.00 175.35 175.39 3hi4 s ASP 15 N -1.26 3.37 -0.07 2.83 -1.08 -1.26 -1.48 116.67 117.71 3hi4 s ASP 15 Ca 0.14 -1.17 0.04 0.00 -0.52 0.00 0.00 52.55 51.04 3hi4 s ASP 15 Cb -0.11 -0.61 -0.02 0.00 -1.46 0.00 0.00 42.92 40.73 3hi4 s ASP 15 CO 0.05 -0.37 -0.18 0.26 0.52 0.00 0.00 175.17 175.45 3hi4 s TRP 16 N 1.85 2.64 0.00 -5.34 0.51 0.42 -4.98 118.94 114.03 3hi4 s TRP 16 Ca 0.05 -0.48 0.00 0.00 -2.12 0.00 0.00 56.10 53.55 3hi4 s TRP 16 Cb -0.17 -1.67 0.00 0.00 -0.81 0.00 0.00 33.47 30.82 3hi4 s TRP 16 CO -0.20 -0.06 0.00 0.41 -0.51 0.00 0.00 176.95 176.60 3hi4 n GLY 17 N 2.85 -1.55 3.30 0.98 0.00 -1.26 -1.13 105.19 108.38 3hi4 n GLY 17 Ca -0.17 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 0.05 0.00 1.61 1.04 -1.25 -4.69 113.70 106.45 3hi4 s SER 18 Ca 0.00 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3hi4 s SER 18 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3hi4 s SER 18 CO 0.00 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.98 3hi4 n GLY 19 N -0.17 0.35 3.72 7.32 0.00 -1.26 -2.87 105.19 112.28 3hi4 n GLY 19 Ca -0.10 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 3hi4 n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hi4 n LYS 20 N -0.39 2.53 -2.96 1.61 4.76 -1.26 -4.02 118.16 118.43 3hi4 n LYS 20 Ca 0.00 0.90 -0.38 0.00 -2.87 0.00 0.00 58.31 55.96 3hi4 n LYS 20 Cb 0.00 -2.66 -0.06 0.00 -1.84 0.00 0.00 35.03 30.47 3hi4 n LYS 20 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3hi4 s PRO 21 N -0.33 4.50 -0.15 1.97 0.04 -1.26 -1.98 135.00 137.80 3hi4 s PRO 21 Ca 0.66 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.85 3hi4 s PRO 21 Cb -0.54 -3.06 0.02 0.00 0.04 0.00 0.00 34.50 30.96 3hi4 s PRO 21 CO 0.47 0.46 -0.17 0.08 0.04 0.00 0.00 177.00 177.89 3hi4 s VAL 22 N -1.35 1.73 -0.19 -0.36 1.01 0.75 -1.36 120.40 120.62 3hi4 s VAL 22 Ca 0.41 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3hi4 s VAL 22 Cb -0.21 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3hi4 s VAL 22 CO 0.25 0.48 -0.11 -0.22 0.00 0.00 0.00 175.10 175.50 3hi4 s LEU 23 N 1.28 2.58 -0.10 3.92 0.20 -0.23 -0.45 118.68 125.88 3hi4 s LEU 23 Ca 0.02 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.33 3hi4 s LEU 23 Cb -0.14 -1.62 -0.03 0.00 -0.43 0.00 0.00 46.19 43.97 3hi4 s LEU 23 CO -0.09 0.01 0.01 -0.36 -0.29 0.00 0.00 176.35 175.63 3hi4 s PHE 24 N 1.24 3.16 -0.21 5.38 0.40 0.19 -0.35 117.98 127.79 3hi4 s PHE 24 Ca 0.03 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 3hi4 s PHE 24 Cb -0.14 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.60 3hi4 s PHE 24 CO -0.05 0.40 -0.11 0.45 0.70 0.00 0.00 175.22 176.60 3hi4 s SER 25 N -0.66 3.63 0.73 1.36 0.15 0.35 -3.83 113.70 115.41 3hi4 s SER 25 Ca 0.11 -0.99 -0.11 0.00 0.70 0.00 0.00 55.95 55.66 3hi4 s SER 25 Cb -0.12 -1.34 0.03 0.00 -1.71 0.00 0.00 66.02 62.89 3hi4 s SER 25 CO 0.02 -0.14 1.10 -1.38 1.20 0.00 0.00 173.24 174.04 3hi4 s HIS 26 N 1.31 3.19 0.23 3.44 -3.43 -1.26 -1.62 115.29 117.15 3hi4 s HIS 26 Ca -0.02 0.90 0.01 0.00 -0.80 0.00 0.00 55.06 55.15 3hi4 s HIS 26 Cb -0.17 -3.17 0.04 0.00 -1.43 0.00 0.00 32.58 27.85 3hi4 s HIS 26 CO -0.08 -1.33 0.31 0.41 -2.00 0.00 0.00 174.74 172.05 3hi4 n GLY 27 N -3.05 1.25 3.85 -1.38 0.00 -1.15 -3.37 105.19 101.34 3hi4 n GLY 27 Ca 0.07 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.61 3.49 -1.05 1.61 -0.00 -1.26 -1.12 118.94 120.01 3hi4 s TRP 28 Ca 0.22 1.10 -0.04 0.00 -0.00 0.00 0.00 56.10 57.38 3hi4 s TRP 28 Cb -0.01 -2.42 0.29 0.00 -0.00 0.00 0.00 33.47 31.33 3hi4 s TRP 28 CO 0.14 0.27 1.31 -0.35 -0.00 0.00 0.00 176.95 178.33 3hi4 n PRO 29 N 0.19 4.04 0.00 5.86 -0.04 -1.26 -5.02 135.00 138.77 3hi4 n PRO 29 Ca -0.01 -4.54 0.00 0.00 -0.04 0.00 0.00 63.50 58.91 3hi4 n PRO 29 Cb 0.52 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 1.63 0.00 0.00 1.53 4.77 -0.28 -3.95 117.00 120.70 3hi4 n LEU 30 Ca 0.26 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 3hi4 n LEU 30 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3hi4 n LEU 30 CO 0.63 0.00 0.09 -0.90 -1.33 0.00 0.00 177.39 175.87 3hi4 n ASP 31 N 0.00 -0.30 0.26 -1.43 5.68 -1.26 -4.33 116.55 115.18 3hi4 n ASP 31 Ca 0.00 -1.20 0.18 0.00 -0.50 0.00 0.00 54.79 53.27 3hi4 n ASP 31 Cb 0.00 0.50 0.92 0.00 -1.14 0.00 0.00 41.12 41.40 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 1.55 0.00 2.12 0.00 -1.90 -2.52 119.26 120.51 3hi4 h ALA 32 Ca -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hi4 h ALA 32 Cb 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hi4 h ALA 32 CO 0.06 -0.19 -0.08 -0.44 0.00 0.00 0.00 179.25 178.59 3hi4 h ASP 33 N 0.00 0.00 0.00 0.00 3.32 -1.95 -1.07 116.42 116.71 3hi4 h ASP 33 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hi4 h ASP 33 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3hi4 h ASP 33 CO -0.00 0.08 0.05 0.00 -1.72 0.00 0.00 179.24 177.65 3hi4 h MET 34 N 0.00 0.00 -0.29 3.56 -0.00 -1.87 -1.79 114.93 114.55 3hi4 h MET 34 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hi4 h MET 34 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 3hi4 h MET 34 CO 0.01 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 177.83 3hi4 n TRP 35 N -2.28 0.36 0.11 -0.10 7.02 -0.41 -4.68 117.44 117.47 3hi4 n TRP 35 Ca -0.01 -0.18 0.05 0.00 -1.02 0.00 0.00 57.50 56.33 3hi4 n TRP 35 Cb 0.08 0.00 0.48 0.00 -2.42 0.00 0.00 31.31 29.45 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 4.36 0.29 -0.02 -0.99 4.11 -1.45 0.73 114.58 121.62 3hi4 h GLU 36 Ca 0.00 -0.03 -0.23 0.00 0.07 0.00 0.00 59.36 59.17 3hi4 h GLU 36 Cb 0.95 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.15 3hi4 h GLU 36 CO 0.00 0.26 -0.92 1.88 0.07 0.00 0.00 179.01 180.30 3hi4 h TYR 37 N 0.29 0.72 -0.52 2.06 0.05 -1.84 -0.47 116.97 117.27 3hi4 h TYR 37 Ca 0.07 -0.38 -0.11 0.00 0.05 0.00 0.00 58.73 58.36 3hi4 h TYR 37 Cb 0.08 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3hi4 h TYR 37 CO 0.00 1.19 -0.12 1.96 -1.05 0.00 0.00 178.16 180.15 3hi4 h GLN 38 N 0.30 1.01 -0.38 4.88 7.50 -1.60 0.11 115.11 126.92 3hi4 h GLN 38 Ca -0.08 -0.38 -0.03 0.00 0.50 0.00 0.00 58.65 58.66 3hi4 h GLN 38 Cb 1.55 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 29.00 3hi4 h GLN 38 CO 0.17 1.06 0.13 0.52 -1.50 0.00 0.00 178.83 179.21 3hi4 h MET 39 N 0.88 0.59 -0.50 1.46 2.86 -0.77 -0.97 114.93 118.46 3hi4 h MET 39 Ca 0.13 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3hi4 h MET 39 Cb 0.68 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3hi4 h MET 39 CO 0.05 0.58 0.13 1.49 1.06 0.00 0.00 176.91 180.22 3hi4 h GLU 40 N 0.47 0.80 -0.63 1.72 4.22 -0.92 -1.09 114.58 119.16 3hi4 h GLU 40 Ca 0.13 -0.19 0.03 0.00 0.08 0.00 0.00 59.36 59.40 3hi4 h GLU 40 Cb 0.23 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3hi4 h GLU 40 CO -0.01 0.77 0.39 -0.92 -2.18 0.00 0.00 179.01 177.06 3hi4 h TYR 41 N 0.70 0.73 0.16 0.92 3.20 -0.51 -2.31 116.97 119.86 3hi4 h TYR 41 Ca 0.16 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.75 3hi4 h TYR 41 Cb 0.32 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.37 3hi4 h TYR 41 CO 0.02 0.41 -1.35 -0.07 -1.64 0.00 0.00 178.16 175.53 3hi4 h LEU 42 N 0.76 0.53 -0.41 2.82 3.38 -1.04 -3.24 115.31 118.12 3hi4 h LEU 42 Ca 0.26 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3hi4 h LEU 42 Cb 0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3hi4 h LEU 42 CO -0.11 1.47 0.00 0.28 0.09 0.00 0.00 178.44 180.17 3hi4 h SER 43 N 0.09 0.00 0.57 -0.43 0.02 -1.18 0.62 113.55 113.24 3hi4 h SER 43 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3hi4 h SER 43 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 3hi4 h SER 43 CO 0.22 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.71 3hi4 n SER 44 N -2.86 0.00 -0.85 3.07 7.64 -0.87 -3.88 113.62 115.87 3hi4 n SER 44 Ca 0.03 -0.05 0.05 0.00 1.01 0.00 0.00 58.87 59.92 3hi4 n SER 44 Cb 0.43 -0.31 0.16 0.00 -1.01 0.00 0.00 64.21 63.48 3hi4 n SER 44 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hi4 n ARG 45 N -1.31 1.17 -1.02 1.43 1.74 0.17 -4.99 116.66 113.85 3hi4 n ARG 45 Ca 0.13 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.24 3hi4 n ARG 45 Cb 0.23 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.69 0.60 3.57 -0.13 0.00 -1.09 -5.01 105.19 102.45 3hi4 n GLY 46 Ca 0.16 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 2.69 -0.28 1.61 2.02 -0.95 -4.36 117.35 116.08 3hi4 s TYR 47 Ca 0.00 -0.19 -0.19 0.00 -0.37 0.00 0.00 57.07 56.32 3hi4 s TYR 47 Cb 0.00 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3hi4 s TYR 47 CO 0.00 0.47 0.58 0.50 -1.57 0.00 0.00 175.55 175.52 3hi4 s ARG 48 N -2.52 4.01 -0.16 -0.62 3.52 -0.83 -3.79 118.95 118.55 3hi4 s ARG 48 Ca 0.23 0.35 -0.05 0.00 -0.13 0.00 0.00 55.73 56.14 3hi4 s ARG 48 Cb -0.10 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 3hi4 s ARG 48 CO 0.14 -0.44 -0.01 0.95 -0.81 0.00 0.00 175.30 175.13 3hi4 s THR 49 N 2.45 4.15 -0.08 4.11 -4.23 -0.28 -0.18 115.64 121.58 3hi4 s THR 49 Ca 0.23 -0.27 0.03 0.00 -1.18 0.00 0.00 61.69 60.51 3hi4 s THR 49 Cb -0.15 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.86 3hi4 s THR 49 CO 0.10 0.48 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.85 3hi4 s ILE 50 N 0.37 1.60 -0.05 2.99 1.01 0.41 -0.44 121.20 127.08 3hi4 s ILE 50 Ca -0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 3hi4 s ILE 50 Cb -0.14 -1.40 0.03 0.00 0.01 0.00 0.00 42.46 40.96 3hi4 s ILE 50 CO 0.02 0.46 0.12 0.00 0.00 0.00 0.00 174.94 175.54 3hi4 s ALA 51 N 0.40 -0.24 0.29 9.38 0.00 -0.55 0.54 121.76 131.59 3hi4 s ALA 51 Ca -0.14 0.48 0.10 0.00 0.00 0.00 0.00 51.96 52.40 3hi4 s ALA 51 Cb -0.16 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 3hi4 s ALA 51 CO 0.06 -0.11 -0.01 -0.59 0.00 0.00 0.00 175.76 175.11 3hi4 s PHE 52 N 0.67 2.61 -0.21 0.00 -0.71 -1.25 -0.27 117.98 118.82 3hi4 s PHE 52 Ca -0.05 -0.29 -0.16 0.00 -1.04 0.00 0.00 56.93 55.38 3hi4 s PHE 52 Cb -0.07 -1.27 -0.04 0.00 -1.21 0.00 0.00 43.02 40.44 3hi4 s PHE 52 CO -0.03 0.58 0.42 -0.51 -1.34 0.00 0.00 175.22 174.34 3hi4 s ASP 53 N -3.68 6.43 0.86 1.98 1.01 0.12 -3.83 116.67 119.56 3hi4 s ASP 53 Ca 0.32 0.51 -0.12 0.00 0.71 0.00 0.00 52.55 53.97 3hi4 s ASP 53 Cb -0.05 -2.24 0.09 0.00 1.01 0.00 0.00 42.92 41.73 3hi4 s ASP 53 CO 0.19 -0.12 1.04 -1.14 0.21 0.00 0.00 175.17 175.35 3hi4 n ARG 54 N 4.71 -0.07 -1.89 8.23 0.63 -1.26 -4.42 116.66 122.59 3hi4 n ARG 54 Ca -0.07 0.05 -0.41 0.00 -0.92 0.00 0.00 57.85 56.50 3hi4 n ARG 54 Cb 0.51 -2.30 -0.01 0.00 0.45 0.00 0.00 32.46 31.10 3hi4 n ARG 54 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 3hi4 s ARG 55 N -4.12 4.19 0.00 -0.14 1.70 -1.26 -1.21 118.95 118.11 3hi4 s ARG 55 Ca 0.69 2.46 0.00 0.00 -0.47 0.00 0.00 55.73 58.41 3hi4 s ARG 55 Cb -0.27 -3.03 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 3hi4 s ARG 55 CO 0.56 -0.49 0.00 0.41 -1.08 0.00 0.00 175.30 174.70 3hi4 n GLY 56 N 1.43 1.51 3.39 3.88 0.00 0.79 -4.95 105.19 111.25 3hi4 n GLY 56 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.87 2.03 0.00 1.61 0.40 -0.35 0.29 117.98 119.10 3hi4 s PHE 57 Ca 0.00 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 3hi4 s PHE 57 Cb 0.00 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.57 3hi4 s PHE 57 CO 0.00 0.48 0.00 0.41 0.70 0.00 0.00 175.22 176.81 3hi4 n GLY 58 N -0.11 2.85 0.48 4.36 0.00 -1.26 -1.37 105.19 110.14 3hi4 n GLY 58 Ca -0.10 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 13.77 1.63 -1.99 1.61 1.74 -1.26 -4.60 116.66 127.56 3hi4 n ARG 59 Ca 0.00 -0.95 -0.30 0.00 -0.77 0.00 0.00 57.85 55.84 3hi4 n ARG 59 Cb 0.00 -1.39 0.04 0.00 -1.02 0.00 0.00 32.46 30.09 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 -1.60 5.62 0.97 0.55 0.01 -0.47 -4.53 113.70 114.24 3hi4 s SER 60 Ca 0.32 1.10 -0.11 0.00 1.31 0.00 0.00 55.95 58.57 3hi4 s SER 60 Cb 0.17 -1.98 0.18 0.00 0.21 0.00 0.00 66.02 64.59 3hi4 s SER 60 CO 0.26 -1.20 1.10 -1.81 0.41 0.00 0.00 173.24 172.01 3hi4 s ASP 61 N -4.32 2.55 -0.71 2.44 -0.00 -0.07 -4.57 116.67 112.00 3hi4 s ASP 61 Ca 0.57 1.90 0.04 0.00 -0.00 0.00 0.00 52.55 55.05 3hi4 s ASP 61 Cb -0.11 -2.45 0.27 0.00 -0.00 0.00 0.00 42.92 40.63 3hi4 s ASP 61 CO 0.51 -3.28 0.90 0.00 -0.00 0.00 0.00 175.17 173.30 3hi4 n GLN 62 N -4.33 2.95 -2.04 8.23 6.02 -1.26 -0.15 117.38 126.80 3hi4 n GLN 62 Ca 0.09 -4.68 -0.40 0.00 -0.01 0.00 0.00 57.00 52.00 3hi4 n GLN 62 Cb 0.53 -2.30 -0.01 0.00 1.02 0.00 0.00 30.24 29.49 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 -2.67 4.03 0.29 -1.09 0.04 -1.26 -4.93 135.00 129.41 3hi4 s PRO 63 Ca 0.40 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.64 3hi4 s PRO 63 Cb 0.15 -2.82 0.45 0.00 0.04 0.00 0.00 34.50 32.32 3hi4 s PRO 63 CO -0.01 -0.46 1.83 2.35 0.04 0.00 0.00 177.00 180.75 3hi4 h TRP 64 N 2.80 0.76 -2.03 0.56 2.91 -2.01 -3.46 115.95 115.49 3hi4 h TRP 64 Ca -0.50 -0.08 -0.53 0.00 1.13 0.00 0.00 58.89 58.91 3hi4 h TRP 64 Cb 1.24 -0.22 -0.07 0.00 -0.51 0.00 0.00 29.16 29.60 3hi4 h TRP 64 CO 0.53 0.67 -0.55 0.95 -1.03 0.00 0.00 178.44 179.01 3hi4 s THR 65 N -5.10 3.49 0.00 2.65 -4.23 -1.26 -4.65 115.64 106.55 3hi4 s THR 65 Ca -0.09 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3hi4 s THR 65 Cb 0.15 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.94 3hi4 s THR 65 CO 0.79 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 3hi4 n GLY 66 N -1.11 0.67 3.02 3.99 0.00 -1.26 -4.98 105.19 105.51 3hi4 n GLY 66 Ca -0.05 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 0.47 4.99 -3.60 1.61 3.02 -1.26 -4.49 115.26 116.00 3hi4 n ASN 67 Ca 0.00 -3.05 -0.11 0.00 -0.03 0.00 0.00 54.58 51.39 3hi4 n ASN 67 Cb 0.00 -1.53 -0.05 0.00 -0.61 0.00 0.00 39.78 37.60 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 1.67 -0.31 0.34 6.41 1.47 -1.26 -4.63 116.67 120.35 3hi4 s ASP 68 Ca 0.42 -0.16 0.06 0.00 1.18 0.00 0.00 52.55 54.04 3hi4 s ASP 68 Cb 0.07 0.48 0.61 0.00 -0.34 0.00 0.00 42.92 43.74 3hi4 s ASP 68 CO -0.00 -0.82 1.85 1.88 0.68 0.00 0.00 175.17 178.76 3hi4 h TYR 69 N 2.48 0.44 -0.32 2.11 0.05 -1.92 0.31 116.97 120.11 3hi4 h TYR 69 Ca -0.33 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 58.30 3hi4 h TYR 69 Cb 1.25 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 3hi4 h TYR 69 CO 0.33 0.52 -0.17 -0.44 -1.05 0.00 0.00 178.16 177.35 3hi4 h ASP 70 N 0.39 0.70 -0.73 3.88 3.32 -1.96 0.12 116.42 122.13 3hi4 h ASP 70 Ca 0.08 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 3hi4 h ASP 70 Cb 0.44 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 3hi4 h ASP 70 CO 0.02 0.96 0.45 0.74 -1.72 0.00 0.00 179.24 179.70 3hi4 h THR 71 N 0.44 1.20 -0.97 0.35 2.02 -1.73 -0.28 112.91 113.94 3hi4 h THR 71 Ca 0.07 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.84 3hi4 h THR 71 Cb 0.71 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 3hi4 h THR 71 CO 0.05 0.21 0.63 -0.26 0.37 0.00 0.00 175.52 176.52 3hi4 h PHE 72 N 1.00 1.19 -0.30 3.16 0.04 0.08 0.14 116.94 122.24 3hi4 h PHE 72 Ca 0.26 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.94 3hi4 h PHE 72 Cb -0.05 -0.40 -0.00 0.00 2.20 0.00 0.00 35.95 37.70 3hi4 h PHE 72 CO -0.01 0.70 -0.29 0.00 -0.60 0.00 0.00 178.31 178.10 3hi4 h ALA 73 N 1.39 0.45 -0.61 2.45 0.00 -0.53 -1.69 119.26 120.71 3hi4 h ALA 73 Ca 0.38 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hi4 h ALA 73 Cb -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hi4 h ALA 73 CO -0.11 0.47 0.17 -0.44 0.00 0.00 0.00 179.25 179.33 3hi4 h ASP 74 N 0.49 0.87 -0.48 0.00 5.19 -0.60 -0.50 116.42 121.39 3hi4 h ASP 74 Ca 0.05 -0.15 0.06 0.00 -0.62 0.00 0.00 57.03 56.37 3hi4 h ASP 74 Cb 0.87 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 40.10 3hi4 h ASP 74 CO 0.07 0.83 0.18 0.44 -3.12 0.00 0.00 179.24 177.64 3hi4 h ASP 75 N 0.90 0.19 -0.55 6.45 3.32 -0.33 -0.54 116.42 125.85 3hi4 h ASP 75 Ca 0.20 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3hi4 h ASP 75 Cb 0.29 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3hi4 h ASP 75 CO -0.00 0.14 0.09 0.40 -1.72 0.00 0.00 179.24 178.14 3hi4 h ILE 76 N 0.36 1.25 -0.51 0.35 2.04 -0.71 0.02 117.51 120.30 3hi4 h ILE 76 Ca 0.23 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.13 3hi4 h ILE 76 Cb 0.23 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 3hi4 h ILE 76 CO -0.23 0.36 0.30 0.00 0.00 0.00 0.00 178.15 178.59 3hi4 h ALA 77 N 1.18 0.66 -0.44 1.87 0.00 -0.67 -1.45 119.26 120.41 3hi4 h ALA 77 Ca 0.18 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3hi4 h ALA 77 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hi4 h ALA 77 CO 0.01 -0.01 -0.21 1.96 0.00 0.00 0.00 179.25 181.00 3hi4 h GLN 78 N 0.59 0.88 -0.35 0.00 4.20 -0.16 -0.60 115.11 119.67 3hi4 h GLN 78 Ca 0.21 -0.36 0.05 0.00 0.06 0.00 0.00 58.65 58.61 3hi4 h GLN 78 Cb 0.05 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 3hi4 h GLN 78 CO -0.11 1.00 0.06 1.25 -0.67 0.00 0.00 178.83 180.37 3hi4 h LEU 79 N 0.76 -0.00 -0.51 1.46 5.85 -0.75 0.15 115.31 122.27 3hi4 h LEU 79 Ca 0.10 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3hi4 h LEU 79 Cb 0.76 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3hi4 h LEU 79 CO 0.06 0.03 0.26 0.40 -0.34 0.00 0.00 178.44 178.85 3hi4 h ILE 80 N 0.18 1.19 -0.14 4.05 2.04 -0.85 -1.34 117.51 122.64 3hi4 h ILE 80 Ca 0.17 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3hi4 h ILE 80 Cb 0.19 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3hi4 h ILE 80 CO -0.23 0.21 -0.01 -0.33 0.00 0.00 0.00 178.15 177.79 3hi4 h GLU 81 N 0.68 0.26 -0.92 2.37 5.08 -0.91 0.63 114.58 121.76 3hi4 h GLU 81 Ca 0.18 -0.09 0.23 0.00 -1.00 0.00 0.00 59.36 58.68 3hi4 h GLU 81 Cb 0.10 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.20 3hi4 h GLU 81 CO -0.02 0.50 0.43 1.25 -1.00 0.00 0.00 179.01 180.17 3hi4 h HIS 82 N -0.02 0.72 -0.01 4.33 2.76 -0.52 -0.67 115.15 121.74 3hi4 h HIS 82 Ca 0.04 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3hi4 h HIS 82 Cb 0.40 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.18 3hi4 h HIS 82 CO 0.04 -0.04 -0.49 1.28 -1.30 0.00 0.00 177.93 177.42 3hi4 n LEU 83 N -5.02 1.15 -3.59 0.26 4.77 -0.52 -4.98 117.00 109.06 3hi4 n LEU 83 Ca 0.24 -0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 55.64 3hi4 n LEU 83 Cb 0.69 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.75 3hi4 n LEU 83 CO 0.13 0.23 0.11 -0.67 -1.33 0.00 0.00 177.39 175.86 3hi4 n ASP 84 N -0.83 -3.42 -4.77 -1.43 2.03 0.03 -4.94 116.55 103.22 3hi4 n ASP 84 Ca 0.09 -0.66 -0.38 0.00 0.52 0.00 0.00 54.79 54.35 3hi4 n ASP 84 Cb 0.37 -4.73 -0.05 0.00 -0.72 0.00 0.00 41.12 35.99 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 -6.81 4.41 0.14 -2.67 1.43 -0.12 -5.02 118.68 110.04 3hi4 s LEU 85 Ca 0.25 2.06 0.06 0.00 -1.03 0.00 0.00 54.13 55.46 3hi4 s LEU 85 Cb -0.11 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 3hi4 s LEU 85 CO 0.76 -0.17 -0.14 -0.54 0.23 0.00 0.00 176.35 176.49 3hi4 s LYS 86 N -1.83 1.10 -1.59 1.70 1.02 -1.26 -4.83 119.74 114.05 3hi4 s LYS 86 Ca 0.49 -1.34 -0.15 0.00 0.02 0.00 0.00 55.97 54.99 3hi4 s LYS 86 Cb -0.25 -0.93 0.11 0.00 -0.52 0.00 0.00 37.83 36.24 3hi4 s LYS 86 CO 0.32 0.17 0.92 0.39 -0.92 0.00 0.00 175.35 176.22 3hi4 n GLU 87 N 0.25 -4.76 -2.62 1.68 1.02 -0.26 -4.48 120.64 111.47 3hi4 n GLU 87 Ca -0.13 0.52 -0.41 0.00 -0.02 0.00 0.00 57.16 57.12 3hi4 n GLU 87 Cb 0.58 -5.36 -0.04 0.00 -0.02 0.00 0.00 31.44 26.60 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 -3.30 4.08 -0.30 2.62 0.11 0.02 -4.28 120.40 119.35 3hi4 s VAL 88 Ca 0.68 1.84 -0.15 0.00 -2.93 0.00 0.00 61.98 61.41 3hi4 s VAL 88 Cb -0.35 -4.17 -0.03 0.00 -1.53 0.00 0.00 36.38 30.30 3hi4 s VAL 88 CO 0.86 0.34 0.38 -0.89 -3.33 0.00 0.00 175.10 172.46 3hi4 s THR 89 N -0.39 5.16 -0.14 5.04 2.01 -0.46 -0.03 115.64 126.82 3hi4 s THR 89 Ca 0.47 0.35 -0.23 0.00 0.31 0.00 0.00 61.69 62.58 3hi4 s THR 89 Cb -0.27 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 3hi4 s THR 89 CO 0.33 0.03 0.73 -0.76 -0.69 0.00 0.00 174.62 174.26 3hi4 s LEU 90 N 2.08 4.21 -0.14 4.42 1.43 0.01 -1.07 118.68 129.62 3hi4 s LEU 90 Ca 0.14 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 3hi4 s LEU 90 Cb -0.16 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.00 3hi4 s LEU 90 CO 0.11 -0.27 -0.14 -0.69 0.23 0.00 0.00 176.35 175.60 3hi4 s VAL 91 N 1.62 1.53 -0.03 -1.59 1.01 0.52 0.61 120.40 124.07 3hi4 s VAL 91 Ca 0.35 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3hi4 s VAL 91 Cb -0.17 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3hi4 s VAL 91 CO 0.14 0.45 -0.20 -0.83 0.00 0.00 0.00 175.10 174.66 3hi4 s GLY 92 N 1.47 1.02 -0.16 4.51 0.00 0.05 -0.50 107.32 113.72 3hi4 s GLY 92 Ca 0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.88 3hi4 s GLY 92 CO -0.10 -0.58 -0.03 -0.12 0.00 0.00 0.00 173.10 172.27 3hi4 s PHE 93 N -0.24 3.04 0.00 1.90 5.36 -0.64 -0.33 117.98 127.07 3hi4 s PHE 93 Ca 0.02 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.71 3hi4 s PHE 93 Cb -0.10 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 3hi4 s PHE 93 CO 0.01 -0.02 0.00 0.45 -1.46 0.00 0.00 175.22 174.20 3hi4 n SER 94 N 3.53 0.00 0.29 6.13 2.88 0.46 0.21 113.62 127.13 3hi4 n SER 94 Ca -0.17 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.53 3hi4 n SER 94 Cb 0.52 0.00 0.96 0.00 -0.75 0.00 0.00 64.21 64.94 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 -1.25 114.93 110.37 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 0.78 -0.00 0.00 0.00 176.91 177.69 3hi4 h GLY 96 N 0.00 0.00 1.93 -3.00 0.00 -0.24 -1.60 103.07 100.16 3hi4 h GLY 96 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3hi4 h GLY 96 CO -0.00 0.00 -0.38 -1.33 0.00 0.00 0.00 176.54 174.83 3hi4 h GLY 97 N 1.08 0.09 1.60 4.60 0.00 -1.30 -3.17 103.07 105.97 3hi4 h GLY 97 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 3hi4 h GLY 97 CO 0.00 0.07 -0.71 -1.33 0.00 0.00 0.00 176.54 174.58 3hi4 h GLY 98 N 1.17 0.44 1.59 4.60 0.00 -1.44 -2.43 103.07 106.99 3hi4 h GLY 98 Ca 0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 3hi4 h GLY 98 CO 0.05 0.54 -0.63 1.29 0.00 0.00 0.00 176.54 177.79 3hi4 h ASP 99 N 0.27 0.00 0.43 0.19 3.04 -1.62 0.14 116.42 118.88 3hi4 h ASP 99 Ca -0.03 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.56 3hi4 h ASP 99 Cb 1.27 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.56 3hi4 h ASP 99 CO 0.12 0.24 -0.86 -0.37 -2.04 0.00 0.00 179.24 176.34 3hi4 h VAL 100 N 0.00 1.44 -0.15 4.15 -1.51 -1.55 0.48 116.25 119.11 3hi4 h VAL 100 Ca -0.03 -2.44 -0.07 0.00 -1.23 0.00 0.00 66.70 62.93 3hi4 h VAL 100 Cb 1.21 2.36 -0.00 0.00 -2.13 0.00 0.00 31.29 32.73 3hi4 h VAL 100 CO 0.03 0.72 -0.18 0.00 -1.23 0.00 0.00 177.57 176.90 3hi4 h ALA 101 N 0.90 0.22 -0.21 5.19 0.00 -1.36 -2.83 119.26 121.18 3hi4 h ALA 101 Ca -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3hi4 h ALA 101 Cb 1.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3hi4 h ALA 101 CO 0.14 0.14 0.05 -0.09 0.00 0.00 0.00 179.25 179.49 3hi4 h ARG 102 N 0.01 0.30 -0.05 0.00 9.65 -0.73 0.16 114.38 123.73 3hi4 h ARG 102 Ca 0.02 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.88 3hi4 h ARG 102 Cb 0.73 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 3hi4 h ARG 102 CO 0.04 0.29 -0.05 -0.92 2.80 0.00 0.00 179.97 182.13 3hi4 h TYR 103 N 0.30 -0.12 -0.43 2.20 3.20 -0.75 0.38 116.97 121.74 3hi4 h TYR 103 Ca 0.07 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3hi4 h TYR 103 Cb 0.13 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3hi4 h TYR 103 CO 0.00 -0.08 0.14 0.82 -1.64 0.00 0.00 178.16 177.40 3hi4 h ILE 104 N -0.07 1.22 -0.52 1.81 2.04 -1.05 0.17 117.51 121.12 3hi4 h ILE 104 Ca 0.04 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.22 3hi4 h ILE 104 Cb 0.12 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3hi4 h ILE 104 CO -0.09 0.26 0.27 0.00 0.00 0.00 0.00 178.15 178.59 3hi4 h ALA 105 N 0.99 0.66 0.00 1.87 0.00 -0.89 0.16 119.26 122.05 3hi4 h ALA 105 Ca 0.14 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3hi4 h ALA 105 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hi4 h ALA 105 CO -0.00 -0.07 -0.63 0.00 0.00 0.00 0.00 179.25 178.55 3hi4 h ARG 106 N 0.53 0.00 0.00 0.00 3.08 -0.81 -3.40 114.38 113.78 3hi4 h ARG 106 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3hi4 h ARG 106 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3hi4 h ARG 106 CO -0.15 0.63 0.00 0.72 -1.07 0.00 0.00 179.97 180.10 3hi4 n HIS 107 N -3.29 0.00 0.00 3.04 8.25 0.59 -5.09 115.22 118.72 3hi4 n HIS 107 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3hi4 n HIS 107 Cb 0.77 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.88 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 0.58 -1.29 0.84 -1.41 0.00 0.53 -4.67 105.19 99.78 3hi4 n GLY 108 Ca 0.00 -1.56 0.08 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 -1.16 3.69 -0.19 1.61 3.41 -1.26 -4.57 113.62 115.15 3hi4 n SER 109 Ca 0.00 -2.84 0.22 0.00 -0.26 0.00 0.00 58.87 55.99 3hi4 n SER 109 Cb 0.00 -0.49 0.59 0.00 -0.26 0.00 0.00 64.21 64.05 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 1.81 2.41 -0.10 7.33 0.00 -1.98 -0.65 119.26 128.08 3hi4 h ALA 110 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hi4 h ALA 110 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hi4 h ALA 110 CO 0.18 -0.67 0.00 0.54 0.00 0.00 0.00 179.25 179.30 3hi4 n ARG 111 N -4.43 1.96 -4.72 0.00 1.74 -1.26 -4.74 116.66 105.22 3hi4 n ARG 111 Ca 0.18 -1.42 -0.33 0.00 -0.77 0.00 0.00 57.85 55.51 3hi4 n ARG 111 Cb 0.75 -1.46 -0.14 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.89 3.06 -0.13 1.55 1.01 -0.25 -0.80 120.40 122.95 3hi4 s VAL 112 Ca 0.34 -0.66 0.19 0.00 0.00 0.00 0.00 61.98 61.86 3hi4 s VAL 112 Cb 0.20 -2.29 -0.18 0.00 0.00 0.00 0.00 36.38 34.11 3hi4 s VAL 112 CO 0.31 0.52 0.64 0.00 0.00 0.00 0.00 175.10 176.57 3hi4 n ALA 113 N 3.61 2.20 -3.62 5.51 0.00 0.96 -4.78 120.51 124.40 3hi4 n ALA 113 Ca -0.18 -0.61 -0.04 0.00 0.00 0.00 0.00 53.44 52.61 3hi4 n ALA 113 Cb 0.53 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 3hi4 n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hi4 s GLY 114 N -4.76 -0.22 -0.06 0.00 0.00 -1.20 -4.25 107.32 96.84 3hi4 s GLY 114 Ca -0.05 1.87 0.02 0.00 0.00 0.00 0.00 44.72 46.56 3hi4 s GLY 114 CO 0.84 0.65 -0.12 -2.27 0.00 0.00 0.00 173.10 172.20 3hi4 s LEU 115 N -1.96 1.66 -0.14 0.66 2.96 0.49 -0.81 118.68 121.55 3hi4 s LEU 115 Ca 0.10 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 3hi4 s LEU 115 Cb -0.01 -0.77 -0.00 0.00 0.50 0.00 0.00 46.19 45.91 3hi4 s LEU 115 CO -0.04 0.04 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.16 3hi4 s VAL 116 N 0.56 2.44 -0.32 1.68 1.01 0.20 -0.80 120.40 125.17 3hi4 s VAL 116 Ca -0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3hi4 s VAL 116 Cb -0.14 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.31 3hi4 s VAL 116 CO 0.03 0.53 0.03 -0.76 0.00 0.00 0.00 175.10 174.94 3hi4 s LEU 117 N 0.64 4.18 -0.27 3.92 1.43 -0.10 -0.77 118.68 127.72 3hi4 s LEU 117 Ca -0.10 -1.47 -0.07 0.00 -1.03 0.00 0.00 54.13 51.46 3hi4 s LEU 117 Cb -0.16 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3hi4 s LEU 117 CO 0.02 -0.32 0.08 -0.76 0.23 0.00 0.00 176.35 175.61 3hi4 s LEU 118 N 1.20 3.59 -1.41 1.79 1.43 0.55 -0.84 118.68 125.00 3hi4 s LEU 118 Ca -0.02 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 3hi4 s LEU 118 Cb -0.20 -1.92 0.11 0.00 0.03 0.00 0.00 46.19 44.21 3hi4 s LEU 118 CO -0.02 -0.09 0.59 0.61 0.23 0.00 0.00 176.35 177.67 3hi4 n GLY 119 N 4.91 -0.47 3.87 -3.19 0.00 -0.49 -0.41 105.19 109.41 3hi4 n GLY 119 Ca -0.16 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.03 3.38 -1.33 4.61 0.00 -1.26 -3.04 121.76 121.09 3hi4 s ALA 120 Ca 0.53 -0.14 0.30 0.00 0.00 0.00 0.00 51.96 52.65 3hi4 s ALA 120 Cb -0.29 -2.67 1.42 0.00 0.00 0.00 0.00 23.12 21.58 3hi4 s ALA 120 CO 0.66 0.21 2.00 1.33 0.00 0.00 0.00 175.76 179.96 3hi4 n VAL 121 N -0.75 0.00 -2.19 0.00 0.24 -0.97 -4.25 118.33 110.41 3hi4 n VAL 121 Ca 0.02 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.96 3hi4 n VAL 121 Cb 0.53 -0.46 0.01 0.00 -1.47 0.00 0.00 33.84 32.46 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 -2.67 3.01 -0.44 3.34 -4.23 -1.26 -2.75 115.64 110.63 3hi4 s THR 122 Ca 0.25 0.64 0.23 0.00 -1.18 0.00 0.00 61.69 61.63 3hi4 s THR 122 Cb 0.20 -3.26 0.17 0.00 1.34 0.00 0.00 72.50 70.94 3hi4 s THR 122 CO 0.48 -0.13 1.39 1.55 -0.54 0.00 0.00 174.62 177.37 3hi4 h PRO 123 N 1.16 0.00 -2.23 3.99 0.13 -1.82 -3.26 132.00 129.99 3hi4 h PRO 123 Ca -0.50 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 3hi4 h PRO 123 Cb 1.27 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.24 3hi4 h PRO 123 CO 0.57 0.00 0.44 -0.48 -0.23 0.00 0.00 178.00 178.29 3hi4 s LEU 124 N -5.36 -0.42 0.04 1.56 2.34 -1.11 0.98 118.68 116.70 3hi4 s LEU 124 Ca 0.05 0.13 -0.03 0.00 0.06 0.00 0.00 54.13 54.34 3hi4 s LEU 124 Cb 0.09 2.12 -0.01 0.00 -0.56 0.00 0.00 46.19 47.83 3hi4 s LEU 124 CO 0.71 -0.62 -0.05 0.33 -1.06 0.00 0.00 176.35 175.66 3hi4 n PHE 125 N 0.01 0.00 -1.83 3.48 -0.00 -1.24 -4.68 117.46 113.20 3hi4 n PHE 125 Ca -0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.05 3hi4 n PHE 125 Cb 0.61 -0.07 0.10 0.00 -0.00 0.00 0.00 39.48 40.12 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 -3.92 1.59 0.54 7.13 0.00 -0.73 -1.25 107.32 110.69 3hi4 s GLY 126 Ca -0.04 -0.65 -0.21 0.00 0.00 0.00 0.00 44.72 43.82 3hi4 s GLY 126 CO 0.06 -0.14 1.27 1.20 0.00 0.00 0.00 173.10 175.50 3hi4 s GLN 127 N -5.54 3.21 0.10 2.90 -0.21 0.58 -4.44 119.66 116.27 3hi4 s GLN 127 Ca 0.63 2.02 0.02 0.00 0.02 0.00 0.00 55.36 58.05 3hi4 s GLN 127 Cb -0.11 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.67 3hi4 s GLN 127 CO 0.50 -1.07 -0.07 0.15 -2.12 0.00 0.00 175.29 172.68 3hi4 s LYS 128 N -2.99 0.84 0.28 2.91 -0.14 -1.07 -4.88 119.74 114.70 3hi4 s LYS 128 Ca 0.72 -1.34 0.03 0.00 -1.36 0.00 0.00 55.97 54.02 3hi4 s LYS 128 Cb -0.35 -0.23 0.67 0.00 -1.68 0.00 0.00 37.83 36.24 3hi4 s LYS 128 CO 0.41 -0.01 1.72 -1.35 -0.76 0.00 0.00 175.35 175.36 3hi4 h PRO 129 N 2.97 0.49 -0.58 -1.68 0.11 -2.02 0.33 132.00 131.62 3hi4 h PRO 129 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hi4 h PRO 129 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hi4 h PRO 129 CO 0.65 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 3hi4 n ASP 130 N -4.96 2.47 -3.03 -2.05 5.75 -1.26 -4.35 116.55 109.12 3hi4 n ASP 130 Ca 0.21 -2.21 -0.16 0.00 -0.01 0.00 0.00 54.79 52.61 3hi4 n ASP 130 Cb 0.58 -0.41 -0.00 0.00 -1.03 0.00 0.00 41.12 40.26 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 0.37 -1.12 0.53 2.11 9.36 0.11 -4.93 117.16 123.59 3hi4 n TYR 131 Ca 0.12 -3.10 0.07 0.00 3.32 0.00 0.00 57.90 58.31 3hi4 n TYR 131 Cb 0.48 0.32 0.32 0.00 -0.63 0.00 0.00 39.34 39.83 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 0.79 0.02 0.01 2.98 -0.04 -1.18 -2.06 135.00 135.53 3hi4 n PRO 132 Ca 0.18 0.24 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 3hi4 n PRO 132 Cb 0.63 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.18 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 -1.48 0.02 -1.22 0.54 0.00 -1.26 -4.80 117.38 109.18 3hi4 n GLN 133 Ca 0.04 0.03 -0.30 0.00 0.00 0.00 0.00 57.00 56.77 3hi4 n GLN 133 Cb 0.16 -1.52 0.24 0.00 0.00 0.00 0.00 30.24 29.13 3hi4 n GLN 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3hi4 s GLY 134 N -3.04 1.63 -0.02 2.61 0.00 -0.87 -4.95 107.32 102.67 3hi4 s GLY 134 Ca 0.13 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 43.44 3hi4 s GLY 134 CO 0.52 -0.19 0.99 0.14 0.00 0.00 0.00 173.10 174.56 3hi4 s VAL 135 N -3.18 4.84 0.45 1.40 1.01 -0.38 -4.28 120.40 120.26 3hi4 s VAL 135 Ca 0.73 2.05 -0.25 0.00 0.00 0.00 0.00 61.98 64.50 3hi4 s VAL 135 Cb -0.07 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 3hi4 s VAL 135 CO 0.55 0.13 1.39 -2.84 0.00 0.00 0.00 175.10 174.33 3hi4 s PRO 136 N 1.20 3.68 0.56 2.72 0.02 -1.26 -0.31 135.00 141.62 3hi4 s PRO 136 Ca 0.51 2.33 0.32 0.00 0.02 0.00 0.00 61.00 64.18 3hi4 s PRO 136 Cb -0.21 -2.62 1.67 0.00 0.02 0.00 0.00 34.50 33.36 3hi4 s PRO 136 CO 0.26 -0.79 2.13 -0.07 -0.33 0.00 0.00 177.00 178.21 3hi4 h LEU 137 N 2.29 0.00 -0.71 -5.54 3.38 -1.94 -1.38 115.31 111.42 3hi4 h LEU 137 Ca -0.51 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.56 3hi4 h LEU 137 Cb 1.27 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 3hi4 h LEU 137 CO 0.61 0.07 0.34 -0.78 0.09 0.00 0.00 178.44 178.77 3hi4 h ASP 138 N 0.00 0.42 -0.41 -0.43 1.82 -1.99 0.13 116.42 115.98 3hi4 h ASP 138 Ca -0.00 0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.71 3hi4 h ASP 138 Cb 0.27 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 3hi4 h ASP 138 CO 0.01 0.24 0.26 0.58 -1.61 0.00 0.00 179.24 178.72 3hi4 h VAL 139 N 0.57 1.09 -0.48 2.25 2.07 -1.61 -2.43 116.25 117.70 3hi4 h VAL 139 Ca 0.35 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.57 3hi4 h VAL 139 Cb 0.40 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3hi4 h VAL 139 CO -0.29 0.10 -0.19 -0.26 0.02 0.00 0.00 177.57 176.95 3hi4 h PHE 140 N 0.53 1.10 -0.72 1.57 0.04 -1.38 -2.38 116.94 115.70 3hi4 h PHE 140 Ca 0.15 -0.25 0.12 0.00 2.80 0.00 0.00 57.97 60.79 3hi4 h PHE 140 Cb -0.04 -0.26 -0.09 0.00 2.20 0.00 0.00 35.95 37.76 3hi4 h PHE 140 CO -0.05 1.06 0.30 0.00 -0.60 0.00 0.00 178.31 179.02 3hi4 h ALA 141 N 0.93 1.00 -0.31 2.45 0.00 -0.67 0.14 119.26 122.79 3hi4 h ALA 141 Ca 0.12 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 3hi4 h ALA 141 Cb 0.75 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hi4 h ALA 141 CO 0.06 -0.17 -0.48 0.00 0.00 0.00 0.00 179.25 178.66 3hi4 h ARG 142 N 0.47 0.85 -0.87 0.00 3.08 -1.29 -1.08 114.38 115.54 3hi4 h ARG 142 Ca 0.38 -0.50 0.04 0.00 0.07 0.00 0.00 59.98 59.98 3hi4 h ARG 142 Cb 0.53 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 3hi4 h ARG 142 CO -0.36 1.13 0.56 0.74 -1.07 0.00 0.00 179.97 180.97 3hi4 h PHE 143 N 0.67 1.05 -0.49 3.04 0.04 -0.82 -1.32 116.94 119.11 3hi4 h PHE 143 Ca 0.03 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 3hi4 h PHE 143 Cb 1.07 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 3hi4 h PHE 143 CO 0.06 0.60 0.03 0.87 -0.60 0.00 0.00 178.31 179.27 3hi4 h LYS 144 N 1.08 0.79 -0.17 1.51 1.57 -0.23 0.01 116.57 121.13 3hi4 h LYS 144 Ca 0.35 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3hi4 h LYS 144 Cb 0.03 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3hi4 h LYS 144 CO -0.12 0.78 -0.06 1.15 -0.57 0.00 0.00 179.45 180.62 3hi4 h THR 145 N 0.75 1.30 -0.82 -0.16 2.02 -0.43 -0.15 112.91 115.42 3hi4 h THR 145 Ca 0.15 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 3hi4 h THR 145 Cb 0.41 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 3hi4 h THR 145 CO 0.01 0.32 0.36 -0.33 0.37 0.00 0.00 175.52 176.26 3hi4 h GLU 146 N 0.03 1.20 -0.22 6.66 5.08 -1.09 -1.33 114.58 124.91 3hi4 h GLU 146 Ca 0.04 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3hi4 h GLU 146 Cb 0.52 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3hi4 h GLU 146 CO 0.02 0.94 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.77 3hi4 h LEU 147 N 1.17 0.34 -0.03 1.33 3.38 -0.77 0.55 115.31 121.29 3hi4 h LEU 147 Ca 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hi4 h LEU 147 Cb 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hi4 h LEU 147 CO -0.03 0.50 -0.00 0.18 0.09 0.00 0.00 178.44 179.18 3hi4 n LEU 148 N -4.24 0.05 -0.12 1.67 4.77 -0.09 -3.02 117.00 116.03 3hi4 n LEU 148 Ca -0.00 -0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 3hi4 n LEU 148 Cb 0.30 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 3hi4 n LEU 148 CO 0.39 0.01 -1.17 0.29 -1.33 0.00 0.00 177.39 175.58 3hi4 n LYS 149 N -0.98 0.53 -3.37 3.23 5.02 -0.42 -4.93 118.16 117.24 3hi4 n LYS 149 Ca 0.23 0.23 -0.18 0.00 -2.02 0.00 0.00 58.31 56.57 3hi4 n LYS 149 Cb 0.12 -1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 33.65 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 -6.92 1.33 0.34 4.39 -1.08 0.05 -5.00 116.67 109.78 3hi4 s ASP 150 Ca -0.34 -1.65 0.13 0.00 -0.52 0.00 0.00 52.55 50.17 3hi4 s ASP 150 Cb 0.11 0.47 0.59 0.00 -1.46 0.00 0.00 42.92 42.63 3hi4 s ASP 150 CO 0.44 -0.26 1.74 0.08 0.52 0.00 0.00 175.17 177.68 3hi4 h ARG 151 N 7.04 0.00 -0.14 4.34 0.11 -1.71 -1.55 114.38 122.46 3hi4 h ARG 151 Ca 0.05 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.15 3hi4 h ARG 151 Cb 1.05 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 3hi4 h ARG 151 CO 0.20 0.46 0.05 0.00 0.10 0.00 0.00 179.97 180.79 3hi4 h ALA 152 N 1.54 0.15 0.04 0.08 0.00 -1.94 -1.31 119.26 117.81 3hi4 h ALA 152 Ca -0.00 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 3hi4 h ALA 152 Cb 0.86 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.66 3hi4 h ALA 152 CO 0.06 -0.40 -1.07 0.37 0.00 0.00 0.00 179.25 178.21 3hi4 h GLN 153 N 0.12 0.52 -0.52 0.00 5.75 -1.95 -1.76 115.11 117.27 3hi4 h GLN 153 Ca 0.06 -0.62 0.10 0.00 -0.15 0.00 0.00 58.65 58.05 3hi4 h GLN 153 Cb 0.04 0.19 -0.10 0.00 1.07 0.00 0.00 27.48 28.67 3hi4 h GLN 153 CO -0.06 1.24 -0.16 0.35 -2.65 0.00 0.00 178.83 177.55 3hi4 h PHE 154 N 0.27 -0.36 -0.35 3.99 3.57 -1.15 -0.07 116.94 122.83 3hi4 h PHE 154 Ca -0.12 0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.26 3hi4 h PHE 154 Cb 1.73 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 40.70 3hi4 h PHE 154 CO 0.08 -0.25 -0.42 0.82 -2.23 0.00 0.00 178.31 176.31 3hi4 h ILE 155 N -0.03 1.27 -0.52 1.41 5.03 -1.14 0.15 117.51 123.69 3hi4 h ILE 155 Ca 0.25 -1.60 0.09 0.00 -0.12 0.00 0.00 64.86 63.48 3hi4 h ILE 155 Cb 0.41 1.45 -0.08 0.00 -3.03 0.00 0.00 36.82 35.57 3hi4 h ILE 155 CO -0.55 0.53 0.08 -1.28 -0.68 0.00 0.00 178.15 176.25 3hi4 h SER 156 N 0.72 -0.05 0.81 1.72 0.87 -1.13 -1.23 113.55 115.27 3hi4 h SER 156 Ca 0.05 0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 3hi4 h SER 156 Cb 1.02 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 3hi4 h SER 156 CO 0.10 -0.00 -0.42 0.44 -0.53 0.00 0.00 176.83 176.42 3hi4 h ASP 157 N 0.21 0.00 -0.10 6.23 3.32 -0.43 -2.98 116.42 122.67 3hi4 h ASP 157 Ca 0.26 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.34 3hi4 h ASP 157 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3hi4 h ASP 157 CO -0.37 0.42 0.10 0.15 -1.72 0.00 0.00 179.24 177.83 3hi4 h PHE 158 N 0.00 0.00 -0.87 4.55 3.04 0.52 -2.96 116.94 121.23 3hi4 h PHE 158 Ca -0.00 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.07 3hi4 h PHE 158 Cb 0.94 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.38 3hi4 h PHE 158 CO 0.00 0.00 0.56 -0.91 -2.02 0.00 0.00 178.31 175.94 3hi4 h ASN 159 N 0.00 0.68 0.27 0.41 2.35 -1.32 -0.60 115.58 117.36 3hi4 h ASN 159 Ca 0.05 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3hi4 h ASN 159 Cb 0.26 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3hi4 h ASN 159 CO -0.00 0.37 -0.13 0.00 -1.65 0.00 0.00 177.43 176.02 3hi4 h ALA 160 N 1.59 -0.36 0.00 -0.83 0.00 -1.74 -1.37 119.26 116.55 3hi4 h ALA 160 Ca 0.42 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3hi4 h ALA 160 Cb 0.60 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hi4 h ALA 160 CO -0.19 -0.48 -0.28 -1.00 0.00 0.00 0.00 179.25 177.30 3hi4 h PRO 161 N -0.79 0.00 -0.04 0.00 0.13 -1.72 0.10 132.00 129.68 3hi4 h PRO 161 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3hi4 h PRO 161 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 3hi4 h PRO 161 CO 0.06 0.28 0.03 0.35 -0.23 0.00 0.00 178.00 178.49 3hi4 h PHE 162 N 0.00 0.05 0.00 1.56 3.57 -1.00 -2.91 116.94 118.22 3hi4 h PHE 162 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hi4 h PHE 162 Cb 0.96 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3hi4 h PHE 162 CO 0.00 0.04 -0.45 0.66 -2.23 0.00 0.00 178.31 176.33 3hi4 n TYR 163 N -5.06 0.05 -1.13 0.41 4.01 -0.53 -0.28 117.16 114.63 3hi4 n TYR 163 Ca -0.06 0.01 -0.05 0.00 -0.16 0.00 0.00 57.90 57.65 3hi4 n TYR 163 Cb 0.03 -0.32 -0.02 0.00 -0.31 0.00 0.00 39.34 38.73 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 1.49 0.72 0.26 2.72 0.00 0.18 -4.71 105.19 105.86 3hi4 n GLY 164 Ca 0.05 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 0.95 0.00 -0.61 2.04 -1.26 0.59 117.51 119.22 3hi4 h ILE 165 Ca -0.09 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3hi4 h ILE 165 Cb 0.36 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3hi4 h ILE 165 CO 0.14 0.02 0.00 -0.46 0.00 0.00 0.00 178.15 177.84 3hi4 n ASN 166 N -4.43 0.63 -0.44 1.72 6.94 -1.22 -1.96 115.26 116.51 3hi4 n ASN 166 Ca -0.03 0.65 0.09 0.00 -0.02 0.00 0.00 54.58 55.28 3hi4 n ASN 166 Cb 0.10 -0.79 0.19 0.00 -2.36 0.00 0.00 39.78 36.93 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 -2.19 2.04 0.00 -3.83 5.02 0.07 -4.98 118.16 114.28 3hi4 n LYS 167 Ca 0.02 -2.69 0.00 0.00 -2.02 0.00 0.00 58.31 53.63 3hi4 n LYS 167 Cb 0.23 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 3hi4 n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hi4 n GLY 168 N -1.01 1.38 3.66 0.72 0.00 -0.83 -5.07 105.19 104.06 3hi4 n GLY 168 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3hi4 n GLY 168 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hi4 n GLN 169 N -1.91 1.16 -4.06 1.61 1.13 -0.44 -4.94 117.38 109.94 3hi4 n GLN 169 Ca 0.00 0.44 -0.35 0.00 -1.94 0.00 0.00 57.00 55.15 3hi4 n GLN 169 Cb 0.00 -2.31 -0.13 0.00 0.11 0.00 0.00 30.24 27.90 3hi4 n GLN 169 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hi4 s VAL 170 N -1.42 3.57 -0.02 5.09 1.01 -1.26 -4.27 120.40 123.10 3hi4 s VAL 170 Ca 0.75 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3hi4 s VAL 170 Cb -0.42 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.37 3hi4 s VAL 170 CO 0.47 0.43 0.02 -0.69 0.00 0.00 0.00 175.10 175.34 3hi4 s VAL 171 N 1.18 -0.03 0.69 2.92 1.01 -1.26 -5.03 120.40 119.88 3hi4 s VAL 171 Ca 0.02 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 3hi4 s VAL 171 Cb -0.14 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.17 3hi4 s VAL 171 CO -0.00 0.07 1.23 -0.94 0.00 0.00 0.00 175.10 175.46 3hi4 s SER 172 N 0.81 4.41 0.32 3.32 1.04 -1.26 -4.89 113.70 117.45 3hi4 s SER 172 Ca -0.07 2.44 0.09 0.00 0.48 0.00 0.00 55.95 58.89 3hi4 s SER 172 Cb -0.10 -2.60 0.87 0.00 0.10 0.00 0.00 66.02 64.29 3hi4 s SER 172 CO -0.02 -2.12 1.74 -0.61 0.98 0.00 0.00 173.24 173.20 3hi4 h GLN 173 N 0.07 0.59 -0.36 4.02 5.75 -2.00 -2.43 115.11 120.74 3hi4 h GLN 173 Ca -0.49 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 3hi4 h GLN 173 Cb 1.31 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 3hi4 h GLN 173 CO 0.51 0.39 0.23 0.78 -2.65 0.00 0.00 178.83 178.09 3hi4 h GLY 174 N 0.60 0.52 0.63 2.39 0.00 -1.99 0.31 103.07 105.54 3hi4 h GLY 174 Ca 0.64 -0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.82 3hi4 h GLY 174 CO -0.46 0.20 0.32 -2.08 0.00 0.00 0.00 176.54 174.52 3hi4 h VAL 175 N 0.48 0.93 -0.58 4.60 2.07 -1.85 -0.34 116.25 121.56 3hi4 h VAL 175 Ca 0.13 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 3hi4 h VAL 175 Cb -0.02 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3hi4 h VAL 175 CO -0.03 0.11 -0.03 1.56 0.02 0.00 0.00 177.57 179.20 3hi4 h GLN 176 N 0.59 1.05 -0.14 1.57 4.20 -1.01 0.13 115.11 121.51 3hi4 h GLN 176 Ca 0.28 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3hi4 h GLN 176 Cb 0.22 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3hi4 h GLN 176 CO -0.20 1.04 0.07 1.15 -0.67 0.00 0.00 178.83 180.22 3hi4 h THR 177 N 0.94 1.12 -0.57 -0.54 2.02 -0.11 -2.13 112.91 113.64 3hi4 h THR 177 Ca 0.16 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3hi4 h THR 177 Cb 0.59 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3hi4 h THR 177 CO 0.04 0.11 0.29 -0.61 0.37 0.00 0.00 175.52 175.71 3hi4 h GLN 178 N 0.10 0.82 -0.56 6.66 4.15 -0.95 0.15 115.11 125.48 3hi4 h GLN 178 Ca 0.05 -0.11 0.11 0.00 0.77 0.00 0.00 58.65 59.47 3hi4 h GLN 178 Cb 0.12 -0.15 -0.10 0.00 0.21 0.00 0.00 27.48 27.55 3hi4 h GLN 178 CO -0.01 0.65 -0.10 1.15 -1.93 0.00 0.00 178.83 178.60 3hi4 h THR 179 N 0.78 0.47 -0.10 2.39 2.02 -0.74 -0.61 112.91 117.12 3hi4 h THR 179 Ca 0.20 -0.01 -0.22 0.00 0.77 0.00 0.00 66.41 67.15 3hi4 h THR 179 Cb 0.10 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3hi4 h THR 179 CO -0.03 0.01 -0.81 0.25 0.37 0.00 0.00 175.52 175.31 3hi4 h LEU 180 N 0.03 0.76 -0.33 2.58 5.85 -0.94 -1.83 115.31 121.44 3hi4 h LEU 180 Ca 0.27 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.51 3hi4 h LEU 180 Cb 0.43 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3hi4 h LEU 180 CO -0.54 1.30 0.11 -0.61 -0.34 0.00 0.00 178.44 178.36 3hi4 h GLN 181 N 0.42 0.24 -0.47 1.25 4.15 -0.22 0.07 115.11 120.55 3hi4 h GLN 181 Ca -0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 3hi4 h GLN 181 Cb 1.42 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.04 3hi4 h GLN 181 CO 0.15 0.16 0.24 0.82 -1.93 0.00 0.00 178.83 178.27 3hi4 h ILE 182 N 0.25 1.18 -0.95 2.39 2.04 -1.10 -2.95 117.51 118.37 3hi4 h ILE 182 Ca 0.15 -0.49 0.09 0.00 1.00 0.00 0.00 64.86 65.61 3hi4 h ILE 182 Cb 0.13 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 3hi4 h ILE 182 CO -0.16 0.20 0.59 0.00 0.00 0.00 0.00 178.15 178.78 3hi4 h ALA 183 N 1.08 1.36 0.00 1.87 0.00 -0.38 -2.42 119.26 120.77 3hi4 h ALA 183 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hi4 h ALA 183 Cb 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hi4 h ALA 183 CO -0.02 0.28 0.00 -0.07 0.00 0.00 0.00 179.25 179.43 3hi4 h LEU 184 N 1.01 0.00 -1.60 0.00 3.38 -0.85 -2.42 115.31 114.83 3hi4 h LEU 184 Ca 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 3hi4 h LEU 184 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3hi4 h LEU 184 CO -0.22 0.00 -0.11 -0.07 0.09 0.00 0.00 178.44 178.13 3hi4 h LEU 185 N 0.00 0.11-10.33 1.67 3.38 -1.34 -3.46 115.31 105.34 3hi4 h LEU 185 Ca 0.00 -0.02 -0.49 0.00 0.09 0.00 0.00 57.88 57.47 3hi4 h LEU 185 Cb 0.59 -0.03 0.15 0.00 0.09 0.00 0.00 40.66 41.46 3hi4 h LEU 185 CO 0.00 0.24 0.25 0.00 0.09 0.00 0.00 178.44 179.02 3hi4 s ALA 186 N -4.79 1.57 0.23 1.53 0.00 -0.91 -4.51 121.76 114.89 3hi4 s ALA 186 Ca -0.05 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 3hi4 s ALA 186 Cb 0.16 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 3hi4 s ALA 186 CO 0.71 -2.34 1.05 0.45 0.00 0.00 0.00 175.76 175.64 3hi4 s SER 187 N -3.37 7.37 0.13 0.00 0.15 0.15 -4.96 113.70 113.17 3hi4 s SER 187 Ca 0.63 2.12 -0.23 0.00 0.70 0.00 0.00 55.95 59.18 3hi4 s SER 187 Cb -0.18 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.48 3hi4 s SER 187 CO 0.57 -0.09 1.67 0.25 1.20 0.00 0.00 173.24 176.84 3hi4 h LEU 188 N 4.33 -0.50 -0.26 3.45 5.85 -1.94 0.27 115.31 126.51 3hi4 h LEU 188 Ca -0.45 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3hi4 h LEU 188 Cb 1.21 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.42 3hi4 h LEU 188 CO 0.69 -0.21 -0.05 0.50 -0.34 0.00 0.00 178.44 179.03 3hi4 h LYS 189 N -0.22 0.02 -0.26 1.25 1.63 -1.96 0.30 116.57 117.33 3hi4 h LYS 189 Ca 0.09 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.83 3hi4 h LYS 189 Cb 0.34 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3hi4 h LYS 189 CO -0.23 0.01 -0.09 0.00 -3.45 0.00 0.00 179.45 175.69 3hi4 h ALA 190 N 1.25 1.36 -0.57 5.00 0.00 -1.82 0.01 119.26 124.49 3hi4 h ALA 190 Ca 0.12 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3hi4 h ALA 190 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hi4 h ALA 190 CO -0.25 0.44 0.03 1.15 0.00 0.00 0.00 179.25 180.62 3hi4 h THR 191 N 0.39 1.26 -0.06 0.00 2.02 0.05 -1.57 112.91 115.00 3hi4 h THR 191 Ca 0.08 -1.08 -0.24 0.00 0.77 0.00 0.00 66.41 65.93 3hi4 h THR 191 Cb 0.41 0.84 0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3hi4 h THR 191 CO 0.02 0.39 -0.91 0.58 0.37 0.00 0.00 175.52 175.97 3hi4 h VAL 192 N 0.88 1.28 0.00 3.16 2.07 -0.81 -3.27 116.25 119.56 3hi4 h VAL 192 Ca 0.17 -2.12 -0.06 0.00 0.82 0.00 0.00 66.70 65.50 3hi4 h VAL 192 Cb 0.51 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3hi4 h VAL 192 CO 0.02 0.66 -0.31 0.44 0.02 0.00 0.00 177.57 178.41 3hi4 h ASP 193 N 0.43 0.00 -0.24 0.57 3.32 -0.75 -2.63 116.42 117.11 3hi4 h ASP 193 Ca -0.10 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 3hi4 h ASP 193 Cb 1.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 3hi4 h ASP 193 CO 0.18 0.31 -0.28 0.00 -1.72 0.00 0.00 179.24 177.73 3hi4 h VAL 195 N 0.63 0.77 0.24 0.00 2.07 -1.54 0.23 116.25 118.66 3hi4 h VAL 195 Ca 0.08 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hi4 h VAL 195 Cb 0.80 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3hi4 h VAL 195 CO 0.07 0.04 -0.19 0.74 0.02 0.00 0.00 177.57 178.25 3hi4 h THR 196 N 0.22 0.60 -0.09 2.57 2.02 -1.44 -0.22 112.91 116.55 3hi4 h THR 196 Ca 0.21 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.42 3hi4 h THR 196 Cb 0.26 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3hi4 h THR 196 CO -0.28 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.54 3hi4 h ALA 197 N 0.29 0.00 0.00 6.16 0.00 -0.71 -2.46 119.26 122.54 3hi4 h ALA 197 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hi4 h ALA 197 Cb 0.39 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hi4 h ALA 197 CO -0.01 -0.54 -0.03 0.27 0.00 0.00 0.00 179.25 178.94 3hi4 h PHE 198 N -0.09 0.00 0.01 0.00 -5.15 -0.44 -2.05 116.94 109.23 3hi4 h PHE 198 Ca 0.06 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 57.63 3hi4 h PHE 198 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.34 3hi4 h PHE 198 CO -0.19 0.03 -0.91 0.00 -2.00 0.00 0.00 178.31 175.24 3hi4 h ALA 199 N 1.97 0.47 0.00 12.09 0.00 -0.72 -3.40 119.26 129.68 3hi4 h ALA 199 Ca -0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 3hi4 h ALA 199 Cb 0.67 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hi4 h ALA 199 CO 0.00 0.93 -1.31 0.39 0.00 0.00 0.00 179.25 179.26 3hi4 n GLU 200 N -3.64 0.30 -2.44 0.00 1.02 -0.95 -1.77 120.64 113.15 3hi4 n GLU 200 Ca -0.04 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.62 3hi4 n GLU 200 Cb 0.83 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 31.06 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 -2.45 4.16 -0.36 2.62 2.01 -0.78 -4.99 115.64 115.85 3hi4 s THR 201 Ca -0.02 1.53 -0.17 0.00 0.31 0.00 0.00 61.69 63.33 3hi4 s THR 201 Cb 0.04 -3.98 -0.00 0.00 0.01 0.00 0.00 72.50 68.57 3hi4 s THR 201 CO 0.28 0.06 0.44 -0.62 -0.69 0.00 0.00 174.62 174.09 3hi4 s ASP 202 N 1.27 6.24 -0.03 3.53 -1.08 -1.26 -4.53 116.67 120.80 3hi4 s ASP 202 Ca 0.57 -0.23 0.21 0.00 -0.52 0.00 0.00 52.55 52.59 3hi4 s ASP 202 Cb -0.27 -2.23 0.66 0.00 -1.46 0.00 0.00 42.92 39.62 3hi4 s ASP 202 CO 0.26 -0.44 1.56 0.49 0.52 0.00 0.00 175.17 177.56 3hi4 n PHE 203 N 5.57 1.11 -0.27 -5.34 3.72 0.27 -4.48 117.46 118.05 3hi4 n PHE 203 Ca -0.07 -0.53 0.06 0.00 -0.05 0.00 0.00 57.45 56.86 3hi4 n PHE 203 Cb 0.49 -0.07 0.20 0.00 -0.94 0.00 0.00 39.48 39.16 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 4.17 0.48 -0.29 -1.08 3.08 -1.83 -2.01 114.38 116.89 3hi4 h ARG 204 Ca 0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3hi4 h ARG 204 Cb 1.12 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 3hi4 h ARG 204 CO 0.07 0.32 -0.08 -1.35 -1.07 0.00 0.00 179.97 177.86 3hi4 h PRO 205 N 0.49 0.47 -0.49 0.04 0.11 -1.92 -2.20 132.00 128.51 3hi4 h PRO 205 Ca 0.44 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 66.37 3hi4 h PRO 205 Cb 0.66 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 3hi4 h PRO 205 CO -0.40 0.56 0.07 -0.44 -0.21 0.00 0.00 178.00 177.58 3hi4 h ASP 206 N 0.44 0.72 -0.96 -2.05 3.45 -1.72 -2.29 116.42 114.01 3hi4 h ASP 206 Ca 0.09 -0.14 0.08 0.00 0.43 0.00 0.00 57.03 57.49 3hi4 h ASP 206 Cb 0.41 -0.19 -0.07 0.00 -0.56 0.00 0.00 39.33 38.92 3hi4 h ASP 206 CO 0.02 0.74 0.61 0.24 -1.57 0.00 0.00 179.24 179.28 3hi4 h MET 207 N 0.73 1.03 0.00 3.56 2.86 -0.72 -0.56 114.93 121.83 3hi4 h MET 207 Ca 0.16 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3hi4 h MET 207 Cb 0.34 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3hi4 h MET 207 CO 0.01 0.68 0.00 0.00 1.06 0.00 0.00 176.91 178.66 3hi4 h ALA 208 N 1.47 1.00 -0.01 6.32 0.00 -1.46 -2.25 119.26 124.33 3hi4 h ALA 208 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3hi4 h ALA 208 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hi4 h ALA 208 CO -0.20 0.00 -0.31 1.63 0.00 0.00 0.00 179.25 180.36 3hi4 n LYS 209 N -3.02 0.84 -2.78 0.00 5.02 -0.24 -4.84 118.16 113.14 3hi4 n LYS 209 Ca 0.00 -0.54 -0.43 0.00 -2.02 0.00 0.00 58.31 55.33 3hi4 n LYS 209 Cb 0.26 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.53 4.53 -0.22 -0.18 1.01 -0.85 -4.85 121.20 118.11 3hi4 s ILE 210 Ca 0.23 1.18 0.12 0.00 0.00 0.00 0.00 60.65 62.17 3hi4 s ILE 210 Cb 0.19 -4.38 0.44 0.00 0.01 0.00 0.00 42.46 38.72 3hi4 s ILE 210 CO 0.54 -0.61 1.20 -0.90 0.00 0.00 0.00 174.94 175.17 3hi4 n ASP 211 N 6.93 2.79 -4.28 3.58 5.75 -1.26 -4.47 116.55 125.58 3hi4 n ASP 211 Ca 0.08 -3.54 -0.16 0.00 -0.01 0.00 0.00 54.79 51.16 3hi4 n ASP 211 Cb 0.48 -0.44 -0.10 0.00 -1.03 0.00 0.00 41.12 40.03 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 -3.46 1.30 0.27 2.12 -7.23 -1.26 -5.10 120.40 107.03 3hi4 s VAL 212 Ca 0.42 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 3hi4 s VAL 212 Cb 0.38 -1.95 -0.13 0.00 0.56 0.00 0.00 36.38 35.24 3hi4 s VAL 212 CO -0.04 -0.67 1.32 -2.65 -0.31 0.00 0.00 175.10 172.76 3hi4 n PRO 213 N -0.26 1.95 -3.93 4.82 -0.02 -1.26 -4.75 135.00 131.55 3hi4 n PRO 213 Ca -0.09 0.69 -0.18 0.00 -2.02 0.00 0.00 63.50 61.90 3hi4 n PRO 213 Cb 0.61 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.46 0.23 -0.15 3.45 2.01 -1.26 -0.38 115.64 119.09 3hi4 s THR 214 Ca 0.64 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.73 3hi4 s THR 214 Cb -0.64 -0.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 3hi4 s THR 214 CO 0.54 0.17 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.27 3hi4 s LEU 215 N 1.19 2.45 -0.23 4.42 2.96 0.02 -0.94 118.68 128.56 3hi4 s LEU 215 Ca -0.07 -0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 3hi4 s LEU 215 Cb -0.13 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3hi4 s LEU 215 CO -0.02 0.10 0.10 -0.69 -1.32 0.00 0.00 176.35 174.52 3hi4 s VAL 216 N 0.74 4.79 -0.06 1.68 1.01 0.27 -0.92 120.40 127.90 3hi4 s VAL 216 Ca -0.07 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3hi4 s VAL 216 Cb -0.16 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3hi4 s VAL 216 CO 0.01 0.36 -0.23 -0.63 0.00 0.00 0.00 175.10 174.60 3hi4 s ILE 217 N 1.19 1.95 -0.09 2.22 1.01 -0.02 -0.40 121.20 127.07 3hi4 s ILE 217 Ca 0.05 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 3hi4 s ILE 217 Cb -0.14 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.69 3hi4 s ILE 217 CO 0.04 0.54 0.26 -2.28 0.00 0.00 0.00 174.94 173.50 3hi4 s HIS 218 N -0.03 -0.28 0.27 3.97 2.46 -0.63 -1.40 115.29 119.64 3hi4 s HIS 218 Ca -0.06 0.67 -0.29 0.00 0.47 0.00 0.00 55.06 55.85 3hi4 s HIS 218 Cb -0.14 0.09 -0.09 0.00 -0.13 0.00 0.00 32.58 32.31 3hi4 s HIS 218 CO 0.04 -0.14 0.96 0.20 -2.47 0.00 0.00 174.74 173.33 3hi4 s GLY 219 N 0.10 3.03 0.00 1.59 0.00 -1.26 -1.21 107.32 109.58 3hi4 s GLY 219 Ca -0.00 0.63 0.21 0.00 0.00 0.00 0.00 44.72 45.55 3hi4 s GLY 219 CO 0.00 1.17 1.51 2.09 0.00 0.00 0.00 173.10 177.87 3hi4 n ASP 220 N 1.21 1.95 -1.74 1.64 5.75 -0.84 -2.83 116.55 121.69 3hi4 n ASP 220 Ca -0.01 -1.77 0.04 0.00 -0.01 0.00 0.00 54.79 53.04 3hi4 n ASP 220 Cb 0.48 -0.13 0.35 0.00 -1.03 0.00 0.00 41.12 40.78 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 1.18 3.40 3.60 6.12 0.00 -0.04 -4.83 105.19 114.63 3hi4 n GLY 221 Ca 0.16 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.09 5.77 0.00 1.61 -1.08 -1.13 -4.48 116.67 116.27 3hi4 s ASP 222 Ca 0.53 1.48 0.27 0.00 -0.52 0.00 0.00 52.55 54.31 3hi4 s ASP 222 Cb 0.41 -2.52 0.85 0.00 -1.46 0.00 0.00 42.92 40.20 3hi4 s ASP 222 CO 0.14 -1.78 1.66 0.00 0.52 0.00 0.00 175.17 175.71 3hi4 n GLN 223 N 8.52 0.00 -0.13 4.34 6.02 -1.26 -4.23 117.38 130.64 3hi4 n GLN 223 Ca 0.25 -0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.97 3hi4 n GLN 223 Cb 0.46 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.13 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 -1.50 1.40 -4.00 5.09 2.08 -1.26 -4.85 119.36 116.31 3hi4 n ILE 224 Ca 0.06 -0.36 -0.31 0.00 0.56 0.00 0.00 62.75 62.71 3hi4 n ILE 224 Cb 0.34 -1.84 -0.15 0.00 -0.75 0.00 0.00 39.64 37.24 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 2.37 0.20 1.39 1.01 -1.26 -5.09 120.40 116.56 3hi4 s VAL 225 Ca -0.36 -2.63 -0.31 0.00 0.00 0.00 0.00 61.98 58.69 3hi4 s VAL 225 Cb 0.14 -2.72 -0.10 0.00 0.00 0.00 0.00 36.38 33.69 3hi4 s VAL 225 CO 0.45 -0.66 1.54 -2.16 0.00 0.00 0.00 175.10 174.28 3hi4 s PRO 226 N 0.56 4.22 0.21 2.72 0.04 -1.26 -4.80 135.00 136.69 3hi4 s PRO 226 Ca 0.13 2.38 -0.14 0.00 0.04 0.00 0.00 61.00 63.40 3hi4 s PRO 226 Cb -0.21 -3.13 0.23 0.00 0.04 0.00 0.00 34.50 31.43 3hi4 s PRO 226 CO -0.06 -0.57 1.62 0.35 0.04 0.00 0.00 177.00 178.39 3hi4 h PHE 227 N 6.15 -0.37 -0.30 0.56 3.04 -1.80 -2.93 116.94 121.29 3hi4 h PHE 227 Ca -0.44 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.55 3hi4 h PHE 227 Cb 1.21 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.97 3hi4 h PHE 227 CO 0.63 -0.28 0.09 0.93 -2.02 0.00 0.00 178.31 177.66 3hi4 h GLU 228 N -0.01 0.42 -0.25 1.11 4.39 -1.95 -2.03 114.58 116.25 3hi4 h GLU 228 Ca 0.30 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3hi4 h GLU 228 Cb 0.47 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3hi4 h GLU 228 CO -0.65 0.37 0.00 0.25 -1.16 0.00 0.00 179.01 177.82 3hi4 n THR 229 N -4.39 0.41 0.00 1.13 -2.24 -1.14 -4.30 114.28 103.76 3hi4 n THR 229 Ca 0.01 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3hi4 n THR 229 Cb 0.15 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.07 0.00 -0.26 4.28 -2.24 -0.82 -4.61 114.28 111.70 3hi4 n THR 230 Ca 0.14 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.98 3hi4 n THR 230 Cb 0.49 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.16 0.35 3.38 0.00 -1.56 0.26 103.07 106.67 3hi4 h GLY 231 Ca 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.31 3hi4 h GLY 231 CO 0.00 -0.12 0.41 1.70 0.00 0.00 0.00 176.54 178.53 3hi4 h LYS 232 N 0.43 0.63 0.12 4.80 3.64 -1.65 -0.79 116.57 123.74 3hi4 h LYS 232 Ca 0.42 -0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 59.50 3hi4 h LYS 232 Cb 0.66 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3hi4 h LYS 232 CO -0.42 0.41 -1.25 0.28 -2.27 0.00 0.00 179.45 176.20 3hi4 h VAL 233 N 0.64 1.49 -0.37 2.00 2.07 -1.18 -3.15 116.25 117.75 3hi4 h VAL 233 Ca 0.41 -3.07 -0.01 0.00 0.82 0.00 0.00 66.70 64.85 3hi4 h VAL 233 Cb 0.51 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.18 3hi4 h VAL 233 CO -0.31 0.89 0.18 0.00 0.02 0.00 0.00 177.57 178.35 3hi4 h ALA 234 N 0.61 0.48 -0.28 1.67 0.00 -0.12 -0.09 119.26 121.53 3hi4 h ALA 234 Ca -0.13 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3hi4 h ALA 234 Cb 1.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 3hi4 h ALA 234 CO 0.19 0.04 0.20 0.00 0.00 0.00 0.00 179.25 179.68 3hi4 h ALA 235 N 1.03 2.20 0.12 0.00 0.00 -1.20 -2.28 119.26 119.14 3hi4 h ALA 235 Ca 0.13 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 3hi4 h ALA 235 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hi4 h ALA 235 CO -0.02 -0.28 -1.45 0.93 0.00 0.00 0.00 179.25 178.44 3hi4 h GLU 236 N 0.05 0.26 0.00 0.00 5.08 -1.33 -3.35 114.58 115.29 3hi4 h GLU 236 Ca 0.13 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 3hi4 h GLU 236 Cb 0.46 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3hi4 h GLU 236 CO -0.01 1.15 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.88 3hi4 h LEU 237 N 0.07 0.00 -8.82 1.33 3.38 -0.67 -3.43 115.31 107.17 3hi4 h LEU 237 Ca -0.21 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.12 3hi4 h LEU 237 Cb 2.01 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.60 3hi4 h LEU 237 CO 0.18 0.21 -0.19 -0.63 0.09 0.00 0.00 178.44 178.10 3hi4 s ILE 238 N -3.41 5.12 -0.07 1.22 1.01 -0.89 -4.54 121.20 119.64 3hi4 s ILE 238 Ca 0.03 0.35 -0.35 0.00 0.00 0.00 0.00 60.65 60.67 3hi4 s ILE 238 Cb 0.08 -3.82 -0.13 0.00 0.01 0.00 0.00 42.46 38.60 3hi4 s ILE 238 CO 0.65 -0.03 1.77 1.17 0.00 0.00 0.00 174.94 178.50 3hi4 n LYS 239 N 5.48 1.94 -0.77 2.79 4.81 -1.26 -2.12 118.16 129.02 3hi4 n LYS 239 Ca -0.07 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 3hi4 n LYS 239 Cb 0.50 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.05 3hi4 n LYS 239 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hi4 n GLY 240 N 4.08 0.86 3.69 3.14 0.00 -1.26 -4.88 105.19 110.83 3hi4 n GLY 240 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 0.31 0.93 -2.72 4.61 0.00 -0.90 -4.69 120.51 118.05 3hi4 n ALA 241 Ca 0.00 0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 3hi4 n ALA 241 Cb 0.00 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.13 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 -2.80 2.84 -0.12 0.00 2.12 -0.11 -4.98 118.70 115.66 3hi4 s GLU 242 Ca 0.73 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 55.46 3hi4 s GLU 242 Cb -0.43 -2.71 -0.00 0.00 0.26 0.00 0.00 34.13 31.25 3hi4 s GLU 242 CO 0.48 0.61 -0.20 -1.17 -0.54 0.00 0.00 175.26 174.44 3hi4 s LEU 243 N -1.85 2.31 -0.11 2.70 2.96 -1.26 -0.56 118.68 122.87 3hi4 s LEU 243 Ca 0.23 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 3hi4 s LEU 243 Cb -0.12 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 45.09 3hi4 s LEU 243 CO 0.14 0.15 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.55 3hi4 s LYS 244 N 0.43 3.07 -0.25 1.98 1.02 0.47 -4.98 119.74 121.48 3hi4 s LYS 244 Ca -0.14 -0.86 -0.05 0.00 0.02 0.00 0.00 55.97 54.93 3hi4 s LYS 244 Cb -0.17 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.79 3hi4 s LYS 244 CO 0.06 0.16 0.02 0.08 -0.92 0.00 0.00 175.35 174.76 3hi4 s VAL 245 N 0.39 3.75 -0.33 3.17 1.01 -1.26 -1.61 120.40 125.52 3hi4 s VAL 245 Ca -0.17 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 3hi4 s VAL 245 Cb -0.18 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.40 3hi4 s VAL 245 CO 0.08 0.28 0.81 -0.31 0.00 0.00 0.00 175.10 175.96 3hi4 s TYR 246 N 1.51 3.16 0.08 5.22 1.51 -0.35 -4.93 117.35 123.55 3hi4 s TYR 246 Ca 0.04 0.74 -0.31 0.00 -1.01 0.00 0.00 57.07 56.54 3hi4 s TYR 246 Cb -0.16 -3.34 -0.08 0.00 -0.11 0.00 0.00 41.96 38.28 3hi4 s TYR 246 CO 0.00 -0.65 1.54 0.21 -1.11 0.00 0.00 175.55 175.54 3hi4 s LYS 247 N 3.08 4.24 0.00 -0.62 2.20 -1.26 -1.95 119.74 125.43 3hi4 s LYS 247 Ca 0.33 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 3hi4 s LYS 247 Cb -0.14 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3hi4 s LYS 247 CO 0.15 -0.63 0.00 -0.25 -0.36 0.00 0.00 175.35 174.26 3hi4 n ASP 248 N 4.97 -5.18 -4.77 1.43 10.43 -1.26 -4.91 116.55 117.26 3hi4 n ASP 248 Ca 0.14 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.12 3hi4 n ASP 248 Cb 0.41 -2.81 -0.05 0.00 1.84 0.00 0.00 41.12 40.51 3hi4 n ASP 248 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hi4 s ALA 249 N -1.23 3.24 0.87 2.24 0.00 -0.82 -4.54 121.76 121.52 3hi4 s ALA 249 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 3hi4 s ALA 249 Cb 0.00 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.91 3hi4 s ALA 249 CO 0.00 -0.10 0.41 -0.35 0.00 0.00 0.00 175.76 175.72 3hi4 n PRO 250 N 0.62 -0.22 -0.03 0.00 -0.04 -1.26 -0.86 135.00 133.21 3hi4 n PRO 250 Ca 0.02 -0.73 -0.10 0.00 -0.04 0.00 0.00 63.50 62.64 3hi4 n PRO 250 Cb 0.48 -0.39 -0.04 0.00 -0.04 0.00 0.00 33.50 33.50 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 -1.05 0.20 -0.03 0.54 -0.00 -1.76 -3.27 115.15 109.79 3hi4 h HIS 251 Ca -0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.08 3hi4 h HIS 251 Cb 0.39 -0.07 -0.06 0.00 -0.00 0.00 0.00 27.41 27.68 3hi4 h HIS 251 CO 0.00 0.14 -0.28 0.41 -0.00 0.00 0.00 177.93 178.20 3hi4 n GLY 252 N -1.11 2.94 0.04 5.26 0.00 0.61 -4.55 105.19 108.38 3hi4 n GLY 252 Ca -0.04 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 2.22 0.32 0.30 1.61 1.16 -1.23 -1.57 117.46 120.27 3hi4 n PHE 253 Ca 0.34 0.11 0.17 0.00 -1.87 0.00 0.00 57.45 56.20 3hi4 n PHE 253 Cb 0.81 -0.68 0.79 0.00 -1.61 0.00 0.00 39.48 38.80 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 2.57 1.00 0.00 1.98 0.00 -1.89 0.31 119.26 123.24 3hi4 h ALA 254 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3hi4 h ALA 254 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3hi4 h ALA 254 CO 0.00 0.00 -1.34 0.28 0.00 0.00 0.00 179.25 178.19 3hi4 n VAL 255 N -2.87 1.50 0.16 0.00 0.31 -0.61 -3.85 118.33 112.97 3hi4 n VAL 255 Ca -0.00 -0.03 0.01 0.00 -0.01 0.00 0.00 64.34 64.31 3hi4 n VAL 255 Cb 0.20 -2.14 0.25 0.00 -0.91 0.00 0.00 33.84 31.24 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 1.31 -0.62 2.52 1.35 -1.41 -3.21 112.91 111.85 3hi4 h THR 256 Ca -0.29 -1.82 -0.45 0.00 -0.55 0.00 0.00 66.41 63.30 3hi4 h THR 256 Cb 1.13 2.00 -0.33 0.00 -1.73 0.00 0.00 68.15 69.23 3hi4 h THR 256 CO -0.18 0.51 -0.58 1.41 -0.25 0.00 0.00 175.52 176.43 3hi4 n HIS 257 N -3.82 2.23 -0.31 4.73 -0.00 0.11 -4.91 115.22 113.25 3hi4 n HIS 257 Ca -0.01 -2.13 -0.03 0.00 -0.00 0.00 0.00 57.72 55.55 3hi4 n HIS 257 Cb 0.55 -0.43 0.09 0.00 -0.00 0.00 0.00 29.99 30.20 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 1.89 1.09 -0.07 -1.41 0.00 -1.60 0.17 119.26 119.34 3hi4 h ALA 258 Ca 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3hi4 h ALA 258 Cb 1.40 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hi4 h ALA 258 CO 0.68 0.43 -0.06 0.37 0.00 0.00 0.00 179.25 180.66 3hi4 h GLN 259 N 1.10 0.16 -0.60 0.00 4.15 -1.89 0.20 115.11 118.22 3hi4 h GLN 259 Ca 0.32 -0.08 0.10 0.00 0.77 0.00 0.00 58.65 59.76 3hi4 h GLN 259 Cb -0.06 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.55 3hi4 h GLN 259 CO -0.09 0.60 0.19 0.37 -1.93 0.00 0.00 178.83 177.97 3hi4 h GLN 260 N -0.28 0.34 -0.58 1.69 4.15 -1.87 -0.86 115.11 117.70 3hi4 h GLN 260 Ca 0.01 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 3hi4 h GLN 260 Cb 0.57 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 3hi4 h GLN 260 CO 0.02 0.23 -0.05 1.25 -1.93 0.00 0.00 178.83 178.34 3hi4 h LEU 261 N 0.35 1.05 -0.33 -2.39 5.85 -0.30 -0.75 115.31 118.78 3hi4 h LEU 261 Ca 0.31 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hi4 h LEU 261 Cb 0.41 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3hi4 h LEU 261 CO -0.34 1.12 0.21 0.78 -0.34 0.00 0.00 178.44 179.88 3hi4 h ASN 262 N 0.95 0.36 -0.49 1.25 2.35 0.08 0.11 115.58 120.19 3hi4 h ASN 262 Ca 0.16 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3hi4 h ASN 262 Cb 0.62 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 3hi4 h ASN 262 CO 0.04 0.26 0.24 -0.33 -1.65 0.00 0.00 177.43 175.99 3hi4 h GLU 263 N 0.43 0.70 -0.55 0.81 5.08 -1.06 0.12 114.58 120.11 3hi4 h GLU 263 Ca 0.13 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3hi4 h GLU 263 Cb -0.03 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3hi4 h GLU 263 CO -0.04 0.58 0.25 -0.44 -1.00 0.00 0.00 179.01 178.36 3hi4 h ASP 264 N 0.64 0.70 -0.20 1.42 3.32 -0.88 0.90 116.42 122.33 3hi4 h ASP 264 Ca 0.17 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 3hi4 h ASP 264 Cb 0.10 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3hi4 h ASP 264 CO -0.02 0.60 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.66 3hi4 h LEU 265 N 0.77 0.66 -0.67 1.55 3.38 -0.15 -0.85 115.31 120.01 3hi4 h LEU 265 Ca 0.19 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3hi4 h LEU 265 Cb 0.10 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3hi4 h LEU 265 CO -0.02 1.08 0.43 0.25 0.09 0.00 0.00 178.44 180.27 3hi4 h LEU 266 N 0.27 0.73 -0.70 1.67 5.85 -0.50 -1.11 115.31 121.52 3hi4 h LEU 266 Ca 0.01 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 3hi4 h LEU 266 Cb 0.97 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3hi4 h LEU 266 CO 0.08 0.52 -0.04 0.00 -0.34 0.00 0.00 178.44 178.67 3hi4 h ALA 267 N 1.26 0.90 -0.60 1.25 0.00 -0.67 -2.09 119.26 119.32 3hi4 h ALA 267 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hi4 h ALA 267 Cb -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hi4 h ALA 267 CO -0.07 0.64 0.36 0.35 0.00 0.00 0.00 179.25 180.53 3hi4 h PHE 268 N 0.87 0.80 -0.15 0.00 3.57 -0.90 -2.21 116.94 118.93 3hi4 h PHE 268 Ca 0.15 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 3hi4 h PHE 268 Cb 0.57 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3hi4 h PHE 268 CO 0.04 0.55 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.33 3hi4 h LEU 269 N 0.81 0.28 -0.20 0.59 3.38 -0.70 -2.96 115.31 116.53 3hi4 h LEU 269 Ca 0.22 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hi4 h LEU 269 Cb -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3hi4 h LEU 269 CO -0.04 0.56 -0.16 0.29 0.09 0.00 0.00 178.44 179.18 3hi4 n LYS 270 N -4.14 0.53 0.00 1.13 5.02 -0.83 -5.12 118.16 114.76 3hi4 n LYS 270 Ca -0.01 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 3hi4 n LYS 270 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3hi4 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77