#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va4 s THR 2 N 0.00 0.19 0.16 0.44 -4.23 -1.26 -0.86 115.64 110.07 1va4 s THR 2 Ca 0.00 -1.06 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1va4 s THR 2 Cb 0.00 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 1va4 s THR 2 CO 0.00 -0.56 0.03 0.72 -0.54 0.00 0.00 174.62 174.27 1va4 s PHE 3 N -1.81 1.06 -0.21 3.99 -0.12 -0.90 -4.97 117.98 115.02 1va4 s PHE 3 Ca -0.12 -1.12 -0.05 0.00 -0.05 0.00 0.00 56.93 55.59 1va4 s PHE 3 Cb -0.07 -0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 41.69 1va4 s PHE 3 CO -0.02 -0.35 0.01 0.08 -0.05 0.00 0.00 175.22 174.89 1va4 s VAL 4 N -3.83 3.93 0.91 -2.49 1.01 -1.26 -0.32 120.40 118.35 1va4 s VAL 4 Ca 0.24 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1va4 s VAL 4 Cb 0.07 -2.79 0.15 0.00 0.00 0.00 0.00 36.38 33.81 1va4 s VAL 4 CO 0.03 0.41 1.21 0.00 0.00 0.00 0.00 175.10 176.75 1va4 s ALA 5 N 1.18 2.15 0.25 5.51 0.00 0.45 -4.90 121.76 126.40 1va4 s ALA 5 Ca 0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1va4 s ALA 5 Cb -0.14 -2.92 0.47 0.00 0.00 0.00 0.00 23.12 20.53 1va4 s ALA 5 CO 0.01 -2.21 1.74 -0.22 0.00 0.00 0.00 175.76 175.08 1va4 h LYS 6 N -1.46 0.47 -0.10 0.00 3.64 -1.96 -1.39 116.57 115.76 1va4 h LYS 6 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1va4 h LYS 6 Cb 1.30 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1va4 h LYS 6 CO 0.54 0.31 0.00 -0.40 -2.27 0.00 0.00 179.45 177.63 1va4 n ASP 7 N -4.97 0.68 0.00 4.20 3.85 -1.26 -4.86 116.55 114.19 1va4 n ASP 7 Ca 0.15 -1.78 0.00 0.00 -0.71 0.00 0.00 54.79 52.45 1va4 n ASP 7 Cb 0.42 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.12 1va4 n ASP 7 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1va4 n GLY 8 N 0.81 0.20 3.67 6.12 0.00 -0.52 -5.05 105.19 110.41 1va4 n GLY 8 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1va4 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va4 s THR 9 N -2.00 3.79 -0.04 2.61 2.01 -1.26 -4.67 115.64 116.08 1va4 s THR 9 Ca 0.00 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.74 1va4 s THR 9 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1va4 s THR 9 CO 0.00 -0.06 1.01 -1.58 -0.69 0.00 0.00 174.62 173.30 1va4 s GLN 10 N 3.36 4.49 -0.15 4.92 0.74 -1.26 -0.41 119.66 131.35 1va4 s GLN 10 Ca 0.66 1.44 -0.02 0.00 0.05 0.00 0.00 55.36 57.49 1va4 s GLN 10 Cb -0.30 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.30 1va4 s GLN 10 CO 0.25 -0.18 -0.09 0.42 -0.55 0.00 0.00 175.29 175.14 1va4 s ILE 11 N 1.45 3.35 0.16 -2.34 -1.09 0.57 -1.53 121.20 121.77 1va4 s ILE 11 Ca 0.51 -0.55 -0.23 0.00 -2.23 0.00 0.00 60.65 58.15 1va4 s ILE 11 Cb -0.21 -2.44 -0.08 0.00 -1.58 0.00 0.00 42.46 38.16 1va4 s ILE 11 CO 0.24 0.50 0.74 -0.47 -1.23 0.00 0.00 174.94 174.72 1va4 s TYR 12 N 0.48 3.84 0.09 3.97 5.04 -1.26 -2.12 117.35 127.40 1va4 s TYR 12 Ca -0.07 1.53 -0.12 0.00 -2.44 0.00 0.00 57.07 55.98 1va4 s TYR 12 Cb -0.15 -2.70 0.01 0.00 0.35 0.00 0.00 41.96 39.47 1va4 s TYR 12 CO 0.04 0.49 0.28 -0.59 -1.34 0.00 0.00 175.55 174.43 1va4 s PHE 13 N -1.22 -0.01 -0.00 4.97 -0.71 -0.04 -0.73 117.98 120.23 1va4 s PHE 13 Ca 0.36 -0.32 0.04 0.00 -1.04 0.00 0.00 56.93 55.97 1va4 s PHE 13 Cb -0.21 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.64 1va4 s PHE 13 CO 0.24 -0.59 -0.12 0.15 -1.34 0.00 0.00 175.22 173.57 1va4 s LYS 14 N -3.59 2.42 -0.24 1.99 1.02 0.32 -0.61 119.74 121.04 1va4 s LYS 14 Ca 0.02 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.21 1va4 s LYS 14 Cb 0.03 -2.39 0.08 0.00 -0.52 0.00 0.00 37.83 35.03 1va4 s LYS 14 CO -0.10 0.59 0.07 0.34 -0.92 0.00 0.00 175.35 175.34 1va4 s ASP 15 N -1.22 3.33 -0.03 2.83 -1.08 -1.26 -1.33 116.67 117.91 1va4 s ASP 15 Ca 0.15 -1.14 0.07 0.00 -0.52 0.00 0.00 52.55 51.11 1va4 s ASP 15 Cb -0.11 -0.62 -0.02 0.00 -1.46 0.00 0.00 42.92 40.71 1va4 s ASP 15 CO 0.05 -0.36 -0.23 0.26 0.52 0.00 0.00 175.17 175.41 1va4 s TRP 16 N 1.84 2.43 0.00 -5.34 0.51 0.33 -4.98 118.94 113.72 1va4 s TRP 16 Ca 0.04 -0.37 0.00 0.00 -2.12 0.00 0.00 56.10 53.65 1va4 s TRP 16 Cb -0.17 -1.53 0.00 0.00 -0.81 0.00 0.00 33.47 30.96 1va4 s TRP 16 CO -0.18 0.02 0.00 0.41 -0.51 0.00 0.00 176.95 176.69 1va4 n GLY 17 N 2.39 -1.94 3.16 0.98 0.00 -1.26 -0.01 105.19 108.51 1va4 n GLY 17 Ca -0.16 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 1va4 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1va4 s SER 18 N -4.00 0.14 0.00 1.61 1.04 -1.25 -4.74 113.70 106.51 1va4 s SER 18 Ca 0.00 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1va4 s SER 18 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1va4 s SER 18 CO 0.00 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1va4 n GLY 19 N 0.38 0.42 3.76 7.32 0.00 -1.26 -3.05 105.19 112.75 1va4 n GLY 19 Ca -0.17 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.16 1va4 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va4 s LYS 20 N -0.08 4.22 0.22 1.61 1.02 -1.26 -4.17 119.74 121.30 1va4 s LYS 20 Ca 0.00 2.41 -0.24 0.00 0.02 0.00 0.00 55.97 58.17 1va4 s LYS 20 Cb 0.00 -3.04 -0.08 0.00 -0.52 0.00 0.00 37.83 34.18 1va4 s LYS 20 CO 0.00 -0.44 0.79 -1.25 -0.92 0.00 0.00 175.35 173.54 1va4 s PRO 21 N -1.26 4.46 -0.15 -1.68 0.04 -1.26 -2.04 135.00 133.12 1va4 s PRO 21 Ca 0.56 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1va4 s PRO 21 Cb -0.44 -3.03 0.03 0.00 0.04 0.00 0.00 34.50 31.10 1va4 s PRO 21 CO 0.52 0.45 -0.13 0.08 0.04 0.00 0.00 177.00 177.97 1va4 s VAL 22 N -1.38 1.53 -0.22 -0.36 1.01 0.35 -0.90 120.40 120.43 1va4 s VAL 22 Ca 0.41 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 1va4 s VAL 22 Cb -0.20 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1va4 s VAL 22 CO 0.24 0.40 -0.04 -0.22 0.00 0.00 0.00 175.10 175.48 1va4 s LEU 23 N 1.50 2.90 -0.14 3.92 0.20 0.69 -0.73 118.68 127.02 1va4 s LEU 23 Ca 0.04 -0.41 -0.06 0.00 0.69 0.00 0.00 54.13 54.39 1va4 s LEU 23 Cb -0.13 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 1va4 s LEU 23 CO -0.10 -0.02 0.09 -0.36 -0.29 0.00 0.00 176.35 175.66 1va4 s PHE 24 N 1.47 3.39 -0.20 5.38 0.40 0.46 -0.84 117.98 128.04 1va4 s PHE 24 Ca 0.06 0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.71 1va4 s PHE 24 Cb -0.14 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.46 1va4 s PHE 24 CO -0.03 0.47 -0.11 0.45 0.70 0.00 0.00 175.22 176.70 1va4 s SER 25 N -0.47 3.45 0.86 1.36 0.15 0.65 -3.71 113.70 115.99 1va4 s SER 25 Ca 0.11 -0.91 -0.13 0.00 0.70 0.00 0.00 55.95 55.72 1va4 s SER 25 Cb -0.12 -1.28 0.12 0.00 -1.71 0.00 0.00 66.02 63.03 1va4 s SER 25 CO 0.02 -0.14 1.21 -1.38 1.20 0.00 0.00 173.24 174.15 1va4 s HIS 26 N 1.37 2.57 0.59 3.44 -3.43 -1.26 -1.41 115.29 117.16 1va4 s HIS 26 Ca -0.01 0.65 -0.04 0.00 -0.80 0.00 0.00 55.06 54.86 1va4 s HIS 26 Cb -0.16 -3.64 0.12 0.00 -1.43 0.00 0.00 32.58 27.47 1va4 s HIS 26 CO -0.08 -2.05 0.81 0.41 -2.00 0.00 0.00 174.74 171.82 1va4 n GLY 27 N -3.33 0.08 3.75 -1.38 0.00 -1.23 -3.19 105.19 99.90 1va4 n GLY 27 Ca 0.10 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1va4 n GLY 27 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1va4 s TRP 28 N -2.49 3.03 0.00 1.61 -0.00 -1.26 -3.04 118.94 116.79 1va4 s TRP 28 Ca 0.51 1.05 0.00 0.00 -0.00 0.00 0.00 56.10 57.66 1va4 s TRP 28 Cb -0.02 -3.80 0.00 0.00 -0.00 0.00 0.00 33.47 29.64 1va4 s TRP 28 CO 0.34 -2.60 0.00 1.28 -0.00 0.00 0.00 176.95 175.98 1va4 n LEU 29 N 2.30 0.00 0.00 5.86 4.77 -1.26 -4.97 117.00 123.70 1va4 n LEU 29 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1va4 n LEU 29 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1va4 n LEU 29 CO 0.60 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.84 1va4 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.17 -3.20 117.00 119.63 1va4 n LEU 30 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1va4 n LEU 30 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1va4 n LEU 30 CO 0.00 -0.04 0.00 -0.90 -1.33 0.00 0.00 177.39 175.12 1va4 n ASP 31 N -0.22 0.00 0.32 -1.43 5.68 -1.26 -4.40 116.55 115.23 1va4 n ASP 31 Ca 0.00 -0.79 0.19 0.00 -0.50 0.00 0.00 54.79 53.69 1va4 n ASP 31 Cb 0.00 0.00 1.05 0.00 -1.14 0.00 0.00 41.12 41.03 1va4 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1va4 h ALA 32 N 1.97 1.24 0.00 2.12 0.00 -1.91 -1.92 119.26 120.76 1va4 h ALA 32 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1va4 h ALA 32 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1va4 h ALA 32 CO 0.00 0.01 -0.01 -0.44 0.00 0.00 0.00 179.25 178.81 1va4 h ASP 33 N 0.00 0.00 0.25 0.00 5.19 -1.95 -1.92 116.42 117.99 1va4 h ASP 33 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1va4 h ASP 33 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1va4 h ASP 33 CO 0.00 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.13 1va4 h MET 34 N 0.00 0.00 -0.03 3.56 -0.00 -1.76 -2.28 114.93 114.42 1va4 h MET 34 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1va4 h MET 34 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 1va4 h MET 34 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 177.82 1va4 n TRP 35 N -3.06 0.01 -0.32 -0.10 7.02 -0.72 -4.68 117.44 115.59 1va4 n TRP 35 Ca -0.02 -0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.55 1va4 n TRP 35 Cb 0.13 0.00 0.30 0.00 -2.42 0.00 0.00 31.31 29.32 1va4 n TRP 35 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1va4 h GLU 36 N 3.74 0.83 -0.23 -0.99 4.11 -1.53 -0.15 114.58 120.37 1va4 h GLU 36 Ca 0.00 -0.05 -0.19 0.00 0.07 0.00 0.00 59.36 59.19 1va4 h GLU 36 Cb 0.80 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1va4 h GLU 36 CO 0.00 0.55 -0.61 1.88 0.07 0.00 0.00 179.01 180.90 1va4 h TYR 37 N 0.86 0.98 -0.54 2.06 0.05 -1.84 -1.26 116.97 117.28 1va4 h TYR 37 Ca 0.47 -0.37 -0.08 0.00 0.05 0.00 0.00 58.73 58.80 1va4 h TYR 37 Cb 0.59 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 1va4 h TYR 37 CO -0.00 1.18 -0.00 1.96 -1.05 0.00 0.00 178.16 180.24 1va4 h GLN 38 N 0.57 0.92 -0.16 4.88 7.50 -1.54 -1.61 115.11 125.67 1va4 h GLN 38 Ca -0.00 -0.27 -0.01 0.00 0.50 0.00 0.00 58.65 58.87 1va4 h GLN 38 Cb 1.21 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.63 1va4 h GLN 38 CO 0.13 0.91 0.07 0.52 -1.50 0.00 0.00 178.83 178.96 1va4 h MET 39 N 0.85 0.24 -0.29 1.46 2.86 -1.05 -0.86 114.93 118.13 1va4 h MET 39 Ca 0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1va4 h MET 39 Cb 0.51 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1va4 h MET 39 CO 0.03 0.31 0.13 1.49 1.06 0.00 0.00 176.91 179.93 1va4 h GLU 40 N 0.12 0.42 -0.29 1.72 4.22 -1.22 -0.13 114.58 119.42 1va4 h GLU 40 Ca 0.05 -0.07 0.06 0.00 0.08 0.00 0.00 59.36 59.49 1va4 h GLU 40 Cb 0.16 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 1va4 h GLU 40 CO -0.01 0.42 -0.10 -0.92 -2.18 0.00 0.00 179.01 176.22 1va4 h TYR 41 N 0.33 -0.24 0.00 0.92 3.20 -1.21 -1.83 116.97 118.15 1va4 h TYR 41 Ca 0.10 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.81 1va4 h TYR 41 Cb 0.14 0.15 0.02 0.00 1.54 0.00 0.00 36.73 38.57 1va4 h TYR 41 CO -0.02 -0.17 -0.73 -0.07 -1.64 0.00 0.00 178.16 175.54 1va4 h LEU 42 N -0.05 0.64 -1.78 2.82 3.38 -1.12 -3.18 115.31 116.02 1va4 h LEU 42 Ca 0.15 -0.76 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 1va4 h LEU 42 Cb 0.27 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1va4 h LEU 42 CO -0.33 1.31 -0.14 0.28 0.09 0.00 0.00 178.44 179.66 1va4 h SER 43 N 0.03 0.00 0.07 -0.43 0.02 -1.03 -0.63 113.55 111.58 1va4 h SER 43 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1va4 h SER 43 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1va4 h SER 43 CO 0.14 0.14 -0.03 -1.54 -1.14 0.00 0.00 176.83 174.40 1va4 n SER 44 N -3.59 0.84 -0.62 3.07 3.41 -0.69 -3.61 113.62 112.44 1va4 n SER 44 Ca -0.01 -1.15 0.05 0.00 -0.26 0.00 0.00 58.87 57.50 1va4 n SER 44 Cb 0.27 -0.01 0.20 0.00 -0.26 0.00 0.00 64.21 64.41 1va4 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1va4 n ARG 45 N -0.43 1.62 -0.30 4.33 1.74 -0.29 -4.99 116.66 118.33 1va4 n ARG 45 Ca 0.19 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.12 1va4 n ARG 45 Cb 0.27 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1va4 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1va4 n GLY 46 N -1.16 0.84 3.58 -0.13 0.00 -1.07 -5.01 105.19 102.25 1va4 n GLY 46 Ca 0.21 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1va4 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1va4 s TYR 47 N -2.00 2.65 -0.21 1.61 2.02 -0.89 -4.39 117.35 116.13 1va4 s TYR 47 Ca 0.00 -0.22 -0.12 0.00 -0.37 0.00 0.00 57.07 56.36 1va4 s TYR 47 Cb 0.00 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 1va4 s TYR 47 CO 0.00 0.52 0.24 0.50 -1.57 0.00 0.00 175.55 175.24 1va4 s ARG 48 N -2.89 4.16 -0.06 -0.62 3.52 -0.86 -3.76 118.95 118.44 1va4 s ARG 48 Ca 0.25 -0.06 0.05 0.00 -0.13 0.00 0.00 55.73 55.84 1va4 s ARG 48 Cb -0.09 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1va4 s ARG 48 CO 0.16 0.11 -0.22 0.95 -0.81 0.00 0.00 175.30 175.49 1va4 s THR 49 N 0.88 2.33 -0.05 4.11 -4.23 0.98 -0.49 115.64 119.17 1va4 s THR 49 Ca 0.12 -0.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 1va4 s THR 49 Cb -0.13 -1.86 0.01 0.00 1.34 0.00 0.00 72.50 71.85 1va4 s THR 49 CO 0.04 0.57 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.94 1va4 s ILE 50 N -0.29 1.08 -0.05 2.99 1.09 0.09 -0.51 121.20 125.59 1va4 s ILE 50 Ca 0.01 -0.47 -0.03 0.00 -1.10 0.00 0.00 60.65 59.06 1va4 s ILE 50 Cb -0.13 -0.98 0.03 0.00 -1.06 0.00 0.00 42.46 40.32 1va4 s ILE 50 CO 0.02 0.34 0.12 0.00 -0.10 0.00 0.00 174.94 175.32 1va4 s ALA 51 N 0.52 -0.22 0.28 9.38 0.00 -0.44 -0.40 121.76 130.89 1va4 s ALA 51 Ca -0.11 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.48 1va4 s ALA 51 Cb -0.14 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1va4 s ALA 51 CO 0.03 -0.13 0.11 -0.59 0.00 0.00 0.00 175.76 175.18 1va4 s PHE 52 N 0.91 2.84 -0.31 0.00 -0.71 -1.24 -0.53 117.98 118.94 1va4 s PHE 52 Ca -0.07 -0.23 -0.16 0.00 -1.04 0.00 0.00 56.93 55.43 1va4 s PHE 52 Cb -0.09 -1.40 -0.02 0.00 -1.21 0.00 0.00 43.02 40.29 1va4 s PHE 52 CO -0.04 0.49 0.43 -0.51 -1.34 0.00 0.00 175.22 174.25 1va4 s ASP 53 N -3.79 6.27 0.48 1.98 1.01 0.09 -3.91 116.67 118.80 1va4 s ASP 53 Ca 0.34 0.09 -0.22 0.00 0.71 0.00 0.00 52.55 53.46 1va4 s ASP 53 Cb -0.06 -2.23 -0.09 0.00 1.01 0.00 0.00 42.92 41.55 1va4 s ASP 53 CO 0.23 -0.32 0.96 -1.14 0.21 0.00 0.00 175.17 175.10 1va4 n ARG 54 N 5.49 1.17 -1.53 8.23 0.63 -1.26 -4.34 116.66 125.04 1va4 n ARG 54 Ca -0.07 0.43 -0.48 0.00 -0.92 0.00 0.00 57.85 56.81 1va4 n ARG 54 Cb 0.50 -2.04 -0.03 0.00 0.45 0.00 0.00 32.46 31.33 1va4 n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1va4 n ARG 55 N -0.15 0.84 -0.59 -0.14 1.85 -1.26 -0.43 116.66 116.77 1va4 n ARG 55 Ca 0.11 0.30 0.00 0.00 -1.00 0.00 0.00 57.85 57.25 1va4 n ARG 55 Cb 0.42 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 1va4 n ARG 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1va4 n GLY 56 N 1.74 1.52 3.37 2.89 0.00 -0.12 -4.97 105.19 109.61 1va4 n GLY 56 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1va4 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1va4 s PHE 57 N -3.48 1.87 0.00 1.61 0.40 0.43 -0.25 117.98 118.56 1va4 s PHE 57 Ca 0.00 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1va4 s PHE 57 Cb 0.00 -0.88 0.00 0.00 0.51 0.00 0.00 43.02 42.65 1va4 s PHE 57 CO 0.00 0.42 0.00 0.41 0.70 0.00 0.00 175.22 176.75 1va4 n GLY 58 N -0.19 3.07 0.95 4.36 0.00 -1.26 -1.78 105.19 110.33 1va4 n GLY 58 Ca -0.09 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1va4 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va4 n ARG 59 N 14.00 2.25 -1.99 1.61 1.74 -1.26 -4.64 116.66 128.36 1va4 n ARG 59 Ca 0.00 -1.87 -0.32 0.00 -0.77 0.00 0.00 57.85 54.89 1va4 n ARG 59 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1va4 n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1va4 s SER 60 N -1.63 6.15 0.96 0.55 0.01 -0.74 -4.59 113.70 114.41 1va4 s SER 60 Ca 0.35 1.54 -0.10 0.00 1.31 0.00 0.00 55.95 59.05 1va4 s SER 60 Cb 0.21 -2.49 0.17 0.00 0.21 0.00 0.00 66.02 64.12 1va4 s SER 60 CO 0.30 -0.92 1.13 -1.81 0.41 0.00 0.00 173.24 172.35 1va4 s ASP 61 N -3.63 2.54 -0.71 2.44 1.01 -0.58 -4.57 116.67 113.17 1va4 s ASP 61 Ca 0.58 2.11 0.04 0.00 0.71 0.00 0.00 52.55 55.99 1va4 s ASP 61 Cb -0.12 -2.54 0.22 0.00 1.01 0.00 0.00 42.92 41.49 1va4 s ASP 61 CO 0.46 -3.33 0.69 0.00 0.21 0.00 0.00 175.17 173.20 1va4 n GLN 62 N -4.37 2.38 -2.06 8.23 6.02 -1.26 -0.95 117.38 125.36 1va4 n GLN 62 Ca 0.11 -4.59 -0.40 0.00 -0.01 0.00 0.00 57.00 52.11 1va4 n GLN 62 Cb 0.52 -2.30 -0.01 0.00 1.02 0.00 0.00 30.24 29.47 1va4 n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1va4 s PRO 63 N -2.02 4.14 0.24 -1.09 0.04 -1.26 -4.93 135.00 130.13 1va4 s PRO 63 Ca 0.33 2.21 -0.05 0.00 0.04 0.00 0.00 61.00 63.52 1va4 s PRO 63 Cb 0.05 -2.90 0.26 0.00 0.04 0.00 0.00 34.50 31.95 1va4 s PRO 63 CO -0.08 -0.37 1.83 2.35 0.04 0.00 0.00 177.00 180.77 1va4 h TRP 64 N 2.98 1.12 -1.93 0.56 2.91 -2.00 -3.45 115.95 116.14 1va4 h TRP 64 Ca -0.49 -0.06 -0.46 0.00 1.13 0.00 0.00 58.89 59.00 1va4 h TRP 64 Cb 1.24 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 29.53 1va4 h TRP 64 CO 0.54 0.83 -0.41 0.95 -1.03 0.00 0.00 178.44 179.33 1va4 s THR 65 N -5.58 4.22 0.00 2.65 -4.23 -1.26 -4.65 115.64 106.80 1va4 s THR 65 Ca -0.12 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1va4 s THR 65 Cb 0.16 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1va4 s THR 65 CO 0.82 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.30 1va4 n GLY 66 N -1.48 0.50 2.72 3.99 0.00 -1.26 -4.95 105.19 104.71 1va4 n GLY 66 Ca -0.03 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1va4 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1va4 n ASN 67 N 0.86 5.46 -3.73 1.61 3.02 -1.26 -4.52 115.26 116.69 1va4 n ASN 67 Ca 0.00 -2.98 -0.10 0.00 -0.03 0.00 0.00 54.58 51.47 1va4 n ASN 67 Cb 0.00 -1.52 -0.06 0.00 -0.61 0.00 0.00 39.78 37.59 1va4 n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1va4 s ASP 68 N 1.61 -0.09 0.31 6.41 1.47 -1.26 -4.61 116.67 120.52 1va4 s ASP 68 Ca 0.46 -0.45 -0.00 0.00 1.18 0.00 0.00 52.55 53.74 1va4 s ASP 68 Cb 0.13 0.42 0.51 0.00 -0.34 0.00 0.00 42.92 43.64 1va4 s ASP 68 CO -0.04 -0.80 1.94 1.88 0.68 0.00 0.00 175.17 178.83 1va4 h TYR 69 N 2.53 0.88 -0.69 2.11 0.05 -1.92 -0.50 116.97 119.43 1va4 h TYR 69 Ca -0.34 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.43 1va4 h TYR 69 Cb 1.23 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.65 1va4 h TYR 69 CO 0.37 0.61 0.41 -0.44 -1.05 0.00 0.00 178.16 178.06 1va4 h ASP 70 N 0.92 0.84 -0.33 3.88 3.32 -1.96 0.31 116.42 123.39 1va4 h ASP 70 Ca 0.24 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 1va4 h ASP 70 Cb 0.01 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1va4 h ASP 70 CO -0.04 0.66 -0.39 0.74 -1.72 0.00 0.00 179.24 178.49 1va4 h THR 71 N 0.94 1.28 -1.00 0.35 2.02 -1.72 -1.02 112.91 113.77 1va4 h THR 71 Ca 0.25 -1.57 0.03 0.00 0.77 0.00 0.00 66.41 65.89 1va4 h THR 71 Cb -0.02 1.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 1va4 h THR 71 CO -0.05 0.52 0.65 -0.26 0.37 0.00 0.00 175.52 176.76 1va4 h PHE 72 N 0.64 1.23 -0.41 3.16 0.04 -0.88 0.31 116.94 121.03 1va4 h PHE 72 Ca 0.04 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 1va4 h PHE 72 Cb 0.99 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 1va4 h PHE 72 CO 0.07 0.71 -0.26 0.00 -0.60 0.00 0.00 178.31 178.23 1va4 h ALA 73 N 1.41 0.77 -0.10 2.45 0.00 -0.76 -2.47 119.26 120.56 1va4 h ALA 73 Ca 0.39 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1va4 h ALA 73 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1va4 h ALA 73 CO -0.12 0.65 -0.47 -0.44 0.00 0.00 0.00 179.25 178.88 1va4 h ASP 74 N 0.73 0.26 -0.40 0.00 3.32 -0.31 -1.51 116.42 118.51 1va4 h ASP 74 Ca 0.09 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.04 1va4 h ASP 74 Cb 0.80 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1va4 h ASP 74 CO 0.07 0.70 0.21 0.44 -1.72 0.00 0.00 179.24 178.94 1va4 h ASP 75 N 0.20 0.33 -0.56 6.45 3.32 -0.25 -1.17 116.42 124.74 1va4 h ASP 75 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1va4 h ASP 75 Cb 0.90 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 1va4 h ASP 75 CO 0.07 0.24 0.37 0.40 -1.72 0.00 0.00 179.24 178.60 1va4 h ILE 76 N 0.44 1.15 -0.71 0.35 2.04 -1.24 -0.86 117.51 118.67 1va4 h ILE 76 Ca 0.17 -0.28 0.14 0.00 1.00 0.00 0.00 64.86 65.89 1va4 h ILE 76 Cb 0.05 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 36.36 1va4 h ILE 76 CO -0.10 0.14 0.23 0.00 0.00 0.00 0.00 178.15 178.43 1va4 h ALA 77 N 1.20 0.95 -0.20 1.87 0.00 -0.91 -0.26 119.26 121.90 1va4 h ALA 77 Ca 0.21 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 1va4 h ALA 77 Cb -0.08 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1va4 h ALA 77 CO -0.04 -0.26 -0.58 1.96 0.00 0.00 0.00 179.25 180.33 1va4 h GLN 78 N 0.37 0.66 -0.30 0.00 4.20 -0.80 -0.10 115.11 119.13 1va4 h GLN 78 Ca 0.39 -0.43 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1va4 h GLN 78 Cb 0.59 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1va4 h GLN 78 CO -0.42 1.05 0.17 1.25 -0.67 0.00 0.00 178.83 180.22 1va4 h LEU 79 N 0.50 0.28 -0.74 1.46 5.85 -0.68 0.23 115.31 122.20 1va4 h LEU 79 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1va4 h LEU 79 Cb 1.16 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1va4 h LEU 79 CO 0.12 0.21 0.45 0.40 -0.34 0.00 0.00 178.44 179.27 1va4 h ILE 80 N 0.36 1.21 -0.41 4.05 2.04 -0.85 -1.76 117.51 122.15 1va4 h ILE 80 Ca 0.12 -0.47 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 1va4 h ILE 80 Cb 0.00 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1va4 h ILE 80 CO -0.06 0.22 -0.20 -0.33 0.00 0.00 0.00 178.15 177.78 1va4 h GLU 81 N 1.02 0.87 -0.50 2.37 5.08 -0.85 0.17 114.58 122.73 1va4 h GLU 81 Ca 0.27 -0.38 0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1va4 h GLU 81 Cb -0.03 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.12 1va4 h GLU 81 CO -0.05 1.03 0.03 1.25 -1.00 0.00 0.00 179.01 180.27 1va4 h HIS 82 N 0.69 0.03 -0.00 4.33 2.76 -0.29 -2.05 115.15 120.61 1va4 h HIS 82 Ca 0.09 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1va4 h HIS 82 Cb 0.77 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.79 1va4 h HIS 82 CO 0.06 -0.08 -0.40 1.28 -1.30 0.00 0.00 177.93 177.49 1va4 n LEU 83 N -5.19 0.82 -3.66 0.26 4.77 -0.68 -4.97 117.00 108.35 1va4 n LEU 83 Ca 0.06 -0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 55.65 1va4 n LEU 83 Cb 0.26 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1va4 n LEU 83 CO 0.17 0.17 0.03 -0.67 -1.33 0.00 0.00 177.39 175.76 1va4 n ASP 84 N -1.03 -2.31 -4.79 -1.43 2.03 0.46 -4.94 116.55 104.53 1va4 n ASP 84 Ca 0.09 -0.74 -0.35 0.00 0.52 0.00 0.00 54.79 54.31 1va4 n ASP 84 Cb 0.35 -4.38 -0.04 0.00 -0.72 0.00 0.00 41.12 36.33 1va4 n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1va4 s LEU 85 N -6.74 3.98 0.09 -2.67 1.43 -0.50 -5.03 118.68 109.24 1va4 s LEU 85 Ca 0.14 1.96 0.02 0.00 -1.03 0.00 0.00 54.13 55.22 1va4 s LEU 85 Cb -0.07 -4.40 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 1va4 s LEU 85 CO 0.79 -0.63 -0.07 -0.54 0.23 0.00 0.00 176.35 176.13 1va4 s LYS 86 N -2.91 0.78 -1.59 1.70 1.02 -1.26 -4.86 119.74 112.62 1va4 s LYS 86 Ca 0.63 -1.20 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 1va4 s LYS 86 Cb -0.18 -0.28 0.10 0.00 -0.52 0.00 0.00 37.83 36.95 1va4 s LYS 86 CO 0.23 0.01 0.70 0.39 -0.92 0.00 0.00 175.35 175.76 1va4 n GLU 87 N 0.34 -3.55 -2.56 1.68 -0.58 -0.83 -4.53 120.64 110.59 1va4 n GLU 87 Ca -0.15 0.41 -0.41 0.00 -0.42 0.00 0.00 57.16 56.60 1va4 n GLU 87 Cb 0.59 -4.97 -0.04 0.00 -0.57 0.00 0.00 31.44 26.45 1va4 n GLU 87 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1va4 s VAL 88 N -3.51 4.07 -0.35 2.62 0.11 -0.10 -4.22 120.40 119.02 1va4 s VAL 88 Ca 0.50 1.73 -0.18 0.00 -2.93 0.00 0.00 61.98 61.09 1va4 s VAL 88 Cb -0.27 -4.10 -0.00 0.00 -1.53 0.00 0.00 36.38 30.48 1va4 s VAL 88 CO 0.90 0.27 0.52 -0.89 -3.33 0.00 0.00 175.10 172.57 1va4 s THR 89 N -0.02 5.01 -0.05 5.04 2.01 -0.08 -0.32 115.64 127.24 1va4 s THR 89 Ca 0.50 0.35 -0.21 0.00 0.31 0.00 0.00 61.69 62.64 1va4 s THR 89 Cb -0.28 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1va4 s THR 89 CO 0.33 -0.23 0.60 -0.76 -0.69 0.00 0.00 174.62 173.88 1va4 s LEU 90 N 2.41 4.36 -0.16 4.42 1.43 -0.43 -0.22 118.68 130.49 1va4 s LEU 90 Ca 0.19 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 1va4 s LEU 90 Cb -0.15 -2.93 0.04 0.00 0.03 0.00 0.00 46.19 43.18 1va4 s LEU 90 CO 0.13 0.01 -0.03 -0.69 0.23 0.00 0.00 176.35 176.01 1va4 s VAL 91 N 0.29 0.92 -0.07 -1.59 1.01 -0.02 -0.02 120.40 120.91 1va4 s VAL 91 Ca 0.32 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1va4 s VAL 91 Cb -0.17 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1va4 s VAL 91 CO 0.16 0.09 -0.22 -0.83 0.00 0.00 0.00 175.10 174.31 1va4 s GLY 92 N 1.71 1.37 -0.11 4.51 0.00 -0.59 -0.25 107.32 113.97 1va4 s GLY 92 Ca 0.01 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 43.70 1va4 s GLY 92 CO -0.07 -0.57 -0.01 -0.12 0.00 0.00 0.00 173.10 172.32 1va4 s PHE 93 N -0.13 3.11 0.00 1.90 5.36 -0.50 -1.13 117.98 126.60 1va4 s PHE 93 Ca -0.04 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 1va4 s PHE 93 Cb -0.14 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.70 1va4 s PHE 93 CO 0.04 0.32 0.00 0.45 -1.46 0.00 0.00 175.22 174.57 1va4 n SER 94 N 2.56 0.00 0.30 6.13 2.88 -0.21 -0.18 113.62 125.09 1va4 n SER 94 Ca -0.18 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.52 1va4 n SER 94 Cb 0.53 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 64.94 1va4 n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1va4 h MET 95 N 0.00 0.00 0.00 -1.46 -0.00 -1.85 -0.12 114.93 111.50 1va4 h MET 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1va4 h MET 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1va4 h MET 95 CO 0.00 0.02 0.00 0.41 -0.00 0.00 0.00 176.91 177.34 1va4 n GLY 96 N -1.16 -1.30 0.27 -3.00 0.00 0.75 -1.43 105.19 99.31 1va4 n GLY 96 Ca -0.03 0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1va4 n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1va4 h GLY 97 N 2.53 0.47 1.29 -0.02 0.00 -1.06 -3.18 103.07 103.10 1va4 h GLY 97 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1va4 h GLY 97 CO 0.00 0.25 -0.40 -1.33 0.00 0.00 0.00 176.54 175.06 1va4 h GLY 98 N 0.77 0.85 2.00 4.60 0.00 -1.39 -2.68 103.07 107.22 1va4 h GLY 98 Ca 0.09 -0.86 -0.16 0.00 0.00 0.00 0.00 47.33 46.40 1va4 h GLY 98 CO 0.01 0.78 -0.74 1.29 0.00 0.00 0.00 176.54 177.87 1va4 h ASP 99 N 0.64 0.00 -0.08 0.19 3.04 -1.62 -0.48 116.42 118.10 1va4 h ASP 99 Ca 0.05 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.70 1va4 h ASP 99 Cb 0.95 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.23 1va4 h ASP 99 CO 0.09 0.74 -0.41 -0.37 -2.04 0.00 0.00 179.24 177.25 1va4 h VAL 100 N 0.00 1.30 -0.22 4.15 -1.51 -1.60 -0.22 116.25 118.14 1va4 h VAL 100 Ca -0.01 -1.59 -0.04 0.00 -1.23 0.00 0.00 66.70 63.84 1va4 h VAL 100 Cb 1.53 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 32.23 1va4 h VAL 100 CO 0.10 0.50 -0.01 0.00 -1.23 0.00 0.00 177.57 176.93 1va4 h ALA 101 N 1.04 0.30 -0.15 5.19 0.00 -1.38 -2.61 119.26 121.66 1va4 h ALA 101 Ca 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1va4 h ALA 101 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1va4 h ALA 101 CO 0.08 0.04 -0.10 -0.09 0.00 0.00 0.00 179.25 179.19 1va4 h ARG 102 N 0.16 0.22 0.02 0.00 9.65 -1.06 -0.43 114.38 122.94 1va4 h ARG 102 Ca 0.06 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1va4 h ARG 102 Cb 0.43 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1va4 h ARG 102 CO 0.01 0.34 -0.01 -0.92 2.80 0.00 0.00 179.97 182.19 1va4 h TYR 103 N 0.21 -0.03 -0.36 2.20 3.20 -0.87 -0.44 116.97 120.88 1va4 h TYR 103 Ca 0.05 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1va4 h TYR 103 Cb 0.32 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1va4 h TYR 103 CO 0.00 0.07 0.15 0.82 -1.64 0.00 0.00 178.16 177.56 1va4 h ILE 104 N -0.11 0.93 -0.57 1.81 2.04 -1.04 0.02 117.51 120.58 1va4 h ILE 104 Ca -0.00 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1va4 h ILE 104 Cb 0.10 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1va4 h ILE 104 CO 0.00 0.06 0.37 0.00 0.00 0.00 0.00 178.15 178.59 1va4 h ALA 105 N 1.22 0.73 0.06 1.87 0.00 -0.92 0.25 119.26 122.46 1va4 h ALA 105 Ca 0.16 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1va4 h ALA 105 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1va4 h ALA 105 CO -0.15 0.14 -1.10 0.00 0.00 0.00 0.00 179.25 178.15 1va4 h ARG 106 N 0.76 0.13 -0.00 0.00 3.08 -0.96 -3.39 114.38 113.99 1va4 h ARG 106 Ca 0.21 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1va4 h ARG 106 Cb -0.06 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1va4 h ARG 106 CO -0.06 1.09 -0.13 0.72 -1.07 0.00 0.00 179.97 180.52 1va4 n HIS 107 N -3.45 0.00 -0.13 3.04 8.25 -0.02 -5.09 115.22 117.82 1va4 n HIS 107 Ca -0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1va4 n HIS 107 Cb 0.97 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.07 1va4 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1va4 n GLY 108 N 0.86 -2.24 1.04 -1.41 0.00 0.88 -4.71 105.19 99.60 1va4 n GLY 108 Ca 0.01 -1.51 0.08 0.00 0.00 0.00 0.00 46.02 44.60 1va4 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1va4 n SER 109 N -1.20 4.01 -0.15 1.61 3.41 -1.26 -4.54 113.62 115.50 1va4 n SER 109 Ca 0.00 -2.74 0.05 0.00 -0.26 0.00 0.00 58.87 55.93 1va4 n SER 109 Cb 0.04 -0.50 0.36 0.00 -0.26 0.00 0.00 64.21 63.85 1va4 n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1va4 h ALA 110 N 2.36 1.68 -0.16 7.33 0.00 -1.98 -0.90 119.26 127.60 1va4 h ALA 110 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1va4 h ALA 110 Cb 1.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1va4 h ALA 110 CO 0.21 0.23 0.00 0.54 0.00 0.00 0.00 179.25 180.23 1va4 n ARG 111 N -4.47 1.68 -4.65 0.00 1.74 -1.26 -4.73 116.66 104.97 1va4 n ARG 111 Ca 0.09 -1.03 -0.33 0.00 -0.77 0.00 0.00 57.85 55.81 1va4 n ARG 111 Cb 0.18 -1.38 -0.14 0.00 -1.02 0.00 0.00 32.46 30.10 1va4 n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1va4 s VAL 112 N -1.80 3.28 -0.12 1.55 1.01 -0.34 -0.92 120.40 123.06 1va4 s VAL 112 Ca 0.32 -0.58 0.18 0.00 0.00 0.00 0.00 61.98 61.89 1va4 s VAL 112 Cb 0.17 -2.40 -0.20 0.00 0.00 0.00 0.00 36.38 33.94 1va4 s VAL 112 CO 0.25 0.51 0.56 0.00 0.00 0.00 0.00 175.10 176.42 1va4 n ALA 113 N 3.56 1.92 -3.60 5.51 0.00 0.57 -4.77 120.51 123.70 1va4 n ALA 113 Ca -0.18 -0.77 0.02 0.00 0.00 0.00 0.00 53.44 52.51 1va4 n ALA 113 Cb 0.53 -0.71 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 1va4 n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1va4 s GLY 114 N -4.96 -0.44 -0.01 0.00 0.00 -1.17 -4.29 107.32 96.44 1va4 s GLY 114 Ca -0.06 0.78 0.01 0.00 0.00 0.00 0.00 44.72 45.45 1va4 s GLY 114 CO 0.83 0.14 -0.03 -2.27 0.00 0.00 0.00 173.10 171.77 1va4 s LEU 115 N -2.98 1.69 -0.09 0.66 2.96 -0.26 -1.32 118.68 119.34 1va4 s LEU 115 Ca 0.14 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1va4 s LEU 115 Cb 0.06 -0.22 0.01 0.00 0.50 0.00 0.00 46.19 46.54 1va4 s LEU 115 CO -0.05 -0.01 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.15 1va4 s VAL 116 N 0.33 1.37 -0.26 1.68 1.01 0.98 -0.90 120.40 124.60 1va4 s VAL 116 Ca -0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1va4 s VAL 116 Cb -0.06 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.10 1va4 s VAL 116 CO -0.01 0.41 -0.05 -0.76 0.00 0.00 0.00 175.10 174.70 1va4 s LEU 117 N 0.92 3.41 -0.24 3.92 1.43 0.20 -1.54 118.68 126.79 1va4 s LEU 117 Ca -0.09 -1.03 -0.04 0.00 -1.03 0.00 0.00 54.13 51.95 1va4 s LEU 117 Cb -0.15 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1va4 s LEU 117 CO 0.00 -0.17 -0.02 -0.76 0.23 0.00 0.00 176.35 175.63 1va4 s LEU 118 N 1.29 3.13 -1.25 1.79 1.43 -0.28 -0.87 118.68 123.91 1va4 s LEU 118 Ca -0.02 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1va4 s LEU 118 Cb -0.18 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.39 1va4 s LEU 118 CO -0.04 -0.07 0.47 0.61 0.23 0.00 0.00 176.35 177.55 1va4 n GLY 119 N 4.78 -0.47 3.83 -3.19 0.00 -0.06 -1.05 105.19 109.04 1va4 n GLY 119 Ca -0.17 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1va4 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va4 s ALA 120 N -2.89 3.24 -1.12 4.61 0.00 -1.26 -3.12 121.76 121.22 1va4 s ALA 120 Ca 0.44 0.18 0.13 0.00 0.00 0.00 0.00 51.96 52.71 1va4 s ALA 120 Cb -0.24 -2.90 0.58 0.00 0.00 0.00 0.00 23.12 20.56 1va4 s ALA 120 CO 0.54 0.27 1.39 1.33 0.00 0.00 0.00 175.76 179.29 1va4 n VAL 121 N -0.28 0.98 -1.95 0.00 0.24 -0.99 -4.19 118.33 112.14 1va4 n VAL 121 Ca 0.04 0.25 -0.34 0.00 -2.04 0.00 0.00 64.34 62.24 1va4 n VAL 121 Cb 0.53 -1.02 0.03 0.00 -1.47 0.00 0.00 33.84 31.91 1va4 n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1va4 s THR 122 N -2.88 3.08 -1.13 3.34 -4.23 -1.26 -2.18 115.64 110.38 1va4 s THR 122 Ca 0.08 0.58 0.28 0.00 -1.18 0.00 0.00 61.69 61.46 1va4 s THR 122 Cb 0.09 -3.15 0.25 0.00 1.34 0.00 0.00 72.50 71.03 1va4 s THR 122 CO 0.23 -0.23 1.83 -0.81 -0.54 0.00 0.00 174.62 175.09 1va4 n PRO 123 N -1.93 0.14 -3.64 3.99 -0.04 -1.26 -3.54 135.00 128.72 1va4 n PRO 123 Ca 0.11 -0.03 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1va4 n PRO 123 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 1va4 n PRO 123 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1va4 s LEU 124 N -2.88 -0.36 -0.04 1.53 2.96 -0.92 0.15 118.68 119.11 1va4 s LEU 124 Ca 0.17 0.69 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 1va4 s LEU 124 Cb 0.19 1.72 -0.03 0.00 0.50 0.00 0.00 46.19 48.57 1va4 s LEU 124 CO 0.55 -0.13 -0.15 0.33 -1.32 0.00 0.00 176.35 175.62 1va4 n PHE 125 N 2.00 0.00 -1.77 5.38 -0.00 -1.21 -4.65 117.46 117.20 1va4 n PHE 125 Ca -0.12 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.02 1va4 n PHE 125 Cb 0.56 -0.26 0.03 0.00 -0.00 0.00 0.00 39.48 39.82 1va4 n PHE 125 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1va4 s GLY 126 N -4.54 1.65 0.49 7.13 0.00 -1.06 -1.32 107.32 109.67 1va4 s GLY 126 Ca -0.13 -0.10 -0.23 0.00 0.00 0.00 0.00 44.72 44.25 1va4 s GLY 126 CO 0.19 0.21 1.34 1.20 0.00 0.00 0.00 173.10 176.04 1va4 s GLN 127 N -5.17 3.48 0.30 2.90 -0.21 -0.32 -4.50 119.66 116.15 1va4 s GLN 127 Ca 0.57 2.20 0.03 0.00 0.02 0.00 0.00 55.36 58.18 1va4 s GLN 127 Cb -0.12 -2.45 -0.06 0.00 1.00 0.00 0.00 33.01 31.38 1va4 s GLN 127 CO 0.54 -0.91 0.06 0.15 -2.12 0.00 0.00 175.29 173.02 1va4 s LYS 128 N -2.67 1.58 0.27 2.91 -0.14 -1.10 -4.90 119.74 115.69 1va4 s LYS 128 Ca 0.66 -1.87 -0.00 0.00 -1.36 0.00 0.00 55.97 53.40 1va4 s LYS 128 Cb -0.39 -0.71 0.56 0.00 -1.68 0.00 0.00 37.83 35.61 1va4 s LYS 128 CO 0.48 -0.21 1.76 -1.35 -0.76 0.00 0.00 175.35 175.27 1va4 h PRO 129 N 2.20 0.60 -0.64 -1.68 0.11 -2.02 -0.58 132.00 129.98 1va4 h PRO 129 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1va4 h PRO 129 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1va4 h PRO 129 CO 0.67 0.40 0.00 -0.40 -0.21 0.00 0.00 178.00 178.46 1va4 n ASP 130 N -4.88 4.74 -3.09 -2.05 5.75 -1.26 -4.44 116.55 111.33 1va4 n ASP 130 Ca 0.18 -2.55 -0.17 0.00 -0.01 0.00 0.00 54.79 52.24 1va4 n ASP 130 Cb 0.46 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 1va4 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1va4 n TYR 131 N 0.90 0.53 0.32 2.11 9.36 -0.23 -4.94 117.16 125.21 1va4 n TYR 131 Ca 0.24 -3.66 0.21 0.00 3.32 0.00 0.00 57.90 58.02 1va4 n TYR 131 Cb 0.93 -0.41 1.07 0.00 -0.63 0.00 0.00 39.34 40.29 1va4 n TYR 131 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1va4 h PRO 132 N 3.00 0.00 0.00 2.98 0.13 -1.76 -2.00 132.00 134.34 1va4 h PRO 132 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1va4 h PRO 132 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1va4 h PRO 132 CO 0.52 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.29 1va4 n GLN 133 N -3.10 0.06 -1.02 0.86 0.00 -1.26 -4.80 117.38 108.13 1va4 n GLN 133 Ca -0.02 0.27 -0.29 0.00 0.00 0.00 0.00 57.00 56.96 1va4 n GLN 133 Cb 0.14 -1.61 0.21 0.00 0.00 0.00 0.00 30.24 28.98 1va4 n GLN 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1va4 s GLY 134 N -3.16 1.55 -0.01 2.61 0.00 -0.77 -4.94 107.32 102.60 1va4 s GLY 134 Ca 0.07 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 1va4 s GLY 134 CO 0.33 0.22 1.17 0.14 0.00 0.00 0.00 173.10 174.96 1va4 s VAL 135 N -2.87 4.27 0.44 1.40 1.01 -0.44 -4.29 120.40 119.92 1va4 s VAL 135 Ca 0.67 1.61 -0.25 0.00 0.00 0.00 0.00 61.98 64.01 1va4 s VAL 135 Cb -0.17 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 1va4 s VAL 135 CO 0.58 0.06 1.36 -2.65 0.00 0.00 0.00 175.10 174.45 1va4 n PRO 136 N 4.57 2.08 0.28 2.72 -0.02 -1.26 -1.17 135.00 142.20 1va4 n PRO 136 Ca 0.10 0.74 0.17 0.00 -2.02 0.00 0.00 63.50 62.49 1va4 n PRO 136 Cb 0.47 -2.52 0.81 0.00 -0.02 0.00 0.00 33.50 32.24 1va4 n PRO 136 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1va4 h LEU 137 N 2.16 0.00 -1.23 2.45 3.38 -1.93 -1.68 115.31 118.45 1va4 h LEU 137 Ca -0.49 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1va4 h LEU 137 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1va4 h LEU 137 CO 0.60 0.05 -0.18 -0.78 0.09 0.00 0.00 178.44 178.23 1va4 h ASP 138 N 0.00 0.00 -0.34 -0.43 1.82 -1.99 0.11 116.42 115.59 1va4 h ASP 138 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1va4 h ASP 138 Cb 0.36 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 1va4 h ASP 138 CO 0.01 0.18 0.15 0.58 -1.61 0.00 0.00 179.24 178.55 1va4 h VAL 139 N 0.00 1.17 -0.30 2.25 2.07 -1.66 -1.69 116.25 118.08 1va4 h VAL 139 Ca -0.00 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 1va4 h VAL 139 Cb 0.67 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1va4 h VAL 139 CO 0.02 0.18 -0.38 -0.26 0.02 0.00 0.00 177.57 177.16 1va4 h PHE 140 N 0.41 0.83 -0.62 1.57 0.04 -1.49 -2.21 116.94 115.48 1va4 h PHE 140 Ca 0.12 -0.24 0.07 0.00 2.80 0.00 0.00 57.97 60.72 1va4 h PHE 140 Cb 0.15 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.06 1va4 h PHE 140 CO -0.01 0.97 0.30 0.00 -0.60 0.00 0.00 178.31 178.97 1va4 h ALA 141 N 1.00 0.82 -0.82 2.45 0.00 -0.73 -1.54 119.26 120.44 1va4 h ALA 141 Ca 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1va4 h ALA 141 Cb 0.91 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1va4 h ALA 141 CO 0.08 -0.08 0.41 0.00 0.00 0.00 0.00 179.25 179.67 1va4 h ARG 142 N 0.54 1.17 -0.34 0.00 3.08 -1.16 -1.00 114.38 116.66 1va4 h ARG 142 Ca 0.30 -0.16 0.07 0.00 0.07 0.00 0.00 59.98 60.26 1va4 h ARG 142 Cb 0.27 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 1va4 h ARG 142 CO -0.23 0.88 -0.13 0.74 -1.07 0.00 0.00 179.97 180.16 1va4 h PHE 143 N 1.16 -0.31 -0.46 3.04 -1.00 -0.70 -1.09 116.94 117.58 1va4 h PHE 143 Ca 0.29 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.09 1va4 h PHE 143 Cb 0.08 0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 1va4 h PHE 143 CO 0.01 -0.20 0.24 0.87 -1.61 0.00 0.00 178.31 177.62 1va4 h LYS 144 N -0.07 0.65 -0.33 1.51 1.57 -0.89 0.88 116.57 119.90 1va4 h LYS 144 Ca 0.17 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1va4 h LYS 144 Cb 0.32 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1va4 h LYS 144 CO -0.38 0.53 0.16 1.15 -0.57 0.00 0.00 179.45 180.33 1va4 h THR 145 N 0.61 0.98 -0.44 -0.16 2.02 -0.93 -0.69 112.91 114.30 1va4 h THR 145 Ca 0.16 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 1va4 h THR 145 Cb 0.07 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1va4 h THR 145 CO -0.02 0.06 -0.21 -0.08 0.37 0.00 0.00 175.52 175.64 1va4 h GLU 146 N 0.33 0.88 -0.34 6.66 4.57 -0.76 -2.95 114.58 122.97 1va4 h GLU 146 Ca 0.14 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1va4 h GLU 146 Cb 0.06 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1va4 h GLU 146 CO -0.10 1.01 0.07 -0.07 -1.18 0.00 0.00 179.01 178.73 1va4 h LEU 147 N 0.77 0.46 0.00 1.64 3.38 -0.47 -0.74 115.31 120.35 1va4 h LEU 147 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1va4 h LEU 147 Cb 0.75 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1va4 h LEU 147 CO 0.06 0.48 0.00 0.18 0.09 0.00 0.00 178.44 179.25 1va4 n LEU 148 N -4.34 0.00 -0.13 1.67 4.77 -0.30 -2.91 117.00 115.77 1va4 n LEU 148 Ca 0.02 0.24 -0.25 0.00 -0.03 0.00 0.00 56.01 55.98 1va4 n LEU 148 Cb 0.19 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 40.95 1va4 n LEU 148 CO 0.38 -0.00 -1.36 0.29 -1.33 0.00 0.00 177.39 175.37 1va4 n LYS 149 N -1.24 0.55 -3.13 3.23 5.02 -0.70 -4.97 118.16 116.92 1va4 n LYS 149 Ca 0.16 0.22 -0.04 0.00 -2.02 0.00 0.00 58.31 56.63 1va4 n LYS 149 Cb 0.22 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1va4 n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1va4 s ASP 150 N -7.12 -1.01 0.30 4.39 -1.08 -0.37 -5.01 116.67 106.78 1va4 s ASP 150 Ca -0.35 -1.23 0.11 0.00 -0.52 0.00 0.00 52.55 50.56 1va4 s ASP 150 Cb 0.13 1.66 0.47 0.00 -1.46 0.00 0.00 42.92 43.72 1va4 s ASP 150 CO 0.46 -0.15 1.68 0.08 0.52 0.00 0.00 175.17 177.76 1va4 h ARG 151 N 6.45 0.01 0.26 4.34 0.11 -1.70 -2.12 114.38 121.73 1va4 h ARG 151 Ca 0.06 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 1va4 h ARG 151 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1va4 h ARG 151 CO 0.10 0.54 -0.12 0.00 0.10 0.00 0.00 179.97 180.59 1va4 h ALA 152 N 1.46 -0.35 -0.02 0.08 0.00 -1.94 -0.38 119.26 118.11 1va4 h ALA 152 Ca -0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1va4 h ALA 152 Cb 0.95 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1va4 h ALA 152 CO 0.07 -0.69 -0.38 0.37 0.00 0.00 0.00 179.25 178.61 1va4 h GLN 153 N -0.35 0.04 -0.05 0.00 5.75 -1.97 -2.27 115.11 116.26 1va4 h GLN 153 Ca -0.04 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1va4 h GLN 153 Cb 0.27 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1va4 h GLN 153 CO 0.06 0.42 -0.01 0.35 -2.65 0.00 0.00 178.83 177.00 1va4 h PHE 154 N 0.04 -0.02 -0.35 3.99 3.57 -1.06 0.16 116.94 123.27 1va4 h PHE 154 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1va4 h PHE 154 Cb 0.69 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1va4 h PHE 154 CO 0.00 -0.01 0.17 0.82 -2.23 0.00 0.00 178.31 177.06 1va4 h ILE 155 N 0.01 0.98 -0.34 1.41 2.04 -0.94 -0.34 117.51 120.32 1va4 h ILE 155 Ca 0.02 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1va4 h ILE 155 Cb 0.03 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1va4 h ILE 155 CO -0.04 0.06 0.20 -1.28 0.00 0.00 0.00 178.15 177.09 1va4 h SER 156 N 0.35 0.31 0.47 1.72 0.87 -1.18 -1.89 113.55 114.21 1va4 h SER 156 Ca 0.15 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1va4 h SER 156 Cb 0.06 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1va4 h SER 156 CO -0.11 0.23 -0.17 0.44 -0.53 0.00 0.00 176.83 176.70 1va4 h ASP 157 N 0.40 0.00 0.70 6.23 3.32 -0.72 -2.75 116.42 123.60 1va4 h ASP 157 Ca 0.14 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1va4 h ASP 157 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1va4 h ASP 157 CO -0.07 0.17 -0.35 0.15 -1.72 0.00 0.00 179.24 177.41 1va4 h PHE 158 N 0.00 0.00 -0.73 4.55 3.04 -0.23 -3.21 116.94 120.36 1va4 h PHE 158 Ca -0.00 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.08 1va4 h PHE 158 Cb 0.44 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 38.86 1va4 h PHE 158 CO 0.00 0.35 0.28 -0.91 -2.02 0.00 0.00 178.31 176.01 1va4 h ASN 159 N 0.00 0.26 0.66 0.41 2.35 -1.28 -0.84 115.58 117.14 1va4 h ASN 159 Ca -0.00 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1va4 h ASN 159 Cb 0.80 0.09 0.01 0.00 0.05 0.00 0.00 38.32 39.26 1va4 h ASN 159 CO 0.05 0.10 -0.32 0.00 -1.65 0.00 0.00 177.43 175.61 1va4 h ALA 160 N 1.53 -0.88 0.00 -0.83 0.00 -1.76 -0.41 119.26 116.90 1va4 h ALA 160 Ca 0.40 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1va4 h ALA 160 Cb 0.59 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1va4 h ALA 160 CO -0.39 -0.91 -0.30 -1.00 0.00 0.00 0.00 179.25 176.65 1va4 h PRO 161 N -1.06 0.00 -0.19 0.00 0.13 -1.76 0.56 132.00 129.68 1va4 h PRO 161 Ca -0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1va4 h PRO 161 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1va4 h PRO 161 CO 0.15 0.30 0.03 0.35 -0.23 0.00 0.00 178.00 178.60 1va4 h PHE 162 N 0.00 0.33 -0.00 1.56 3.04 -0.97 -3.17 116.94 117.73 1va4 h PHE 162 Ca -0.00 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.90 1va4 h PHE 162 Cb 0.67 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1va4 h PHE 162 CO 0.00 0.46 -0.40 0.66 -2.02 0.00 0.00 178.31 177.00 1va4 n TYR 163 N -4.76 0.00 -1.67 0.41 4.01 -0.18 -0.75 117.16 114.22 1va4 n TYR 163 Ca -0.04 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.63 1va4 n TYR 163 Cb 0.18 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 1va4 n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1va4 n GLY 164 N 1.42 0.48 0.27 2.72 0.00 0.07 -4.70 105.19 105.45 1va4 n GLY 164 Ca 0.09 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.45 1va4 n GLY 164 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1va4 h ILE 165 N 0.00 1.14 0.00 -0.61 2.04 -1.41 -0.93 117.51 117.74 1va4 h ILE 165 Ca -0.15 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1va4 h ILE 165 Cb 0.78 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1va4 h ILE 165 CO 0.19 0.18 0.00 -0.46 0.00 0.00 0.00 178.15 178.06 1va4 n ASN 166 N -4.36 0.00 -1.08 1.72 6.94 -1.25 -2.91 115.26 114.31 1va4 n ASN 166 Ca 0.01 0.01 0.03 0.00 -0.02 0.00 0.00 54.58 54.61 1va4 n ASN 166 Cb 0.18 -0.28 0.13 0.00 -2.36 0.00 0.00 39.78 37.44 1va4 n ASN 166 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1va4 n LYS 167 N -1.28 1.13 -0.66 -3.83 4.76 -0.47 -5.00 118.16 112.81 1va4 n LYS 167 Ca 0.09 -2.89 0.00 0.00 -2.87 0.00 0.00 58.31 52.64 1va4 n LYS 167 Cb 0.15 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 1va4 n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1va4 n GLY 168 N -0.50 0.82 3.79 0.72 0.00 -1.13 -5.05 105.19 103.85 1va4 n GLY 168 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1va4 n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1va4 s GLN 169 N -0.34 3.25 -0.17 1.61 -1.52 -0.50 -4.99 119.66 117.00 1va4 s GLN 169 Ca 0.00 1.31 0.01 0.00 -1.95 0.00 0.00 55.36 54.73 1va4 s GLN 169 Cb 0.00 -2.02 0.02 0.00 -0.22 0.00 0.00 33.01 30.79 1va4 s GLN 169 CO 0.00 -0.88 -0.19 0.08 -0.25 0.00 0.00 175.29 174.05 1va4 s VAL 170 N -2.30 2.15 -0.03 1.09 1.01 -1.26 -4.24 120.40 116.82 1va4 s VAL 170 Ca 0.66 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1va4 s VAL 170 Cb -0.18 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.33 1va4 s VAL 170 CO 0.35 0.53 0.06 -0.69 0.00 0.00 0.00 175.10 175.35 1va4 s VAL 171 N 1.18 -0.05 0.80 2.92 1.01 -1.26 -4.96 120.40 120.04 1va4 s VAL 171 Ca 0.02 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1va4 s VAL 171 Cb -0.14 -0.12 0.08 0.00 0.00 0.00 0.00 36.38 36.20 1va4 s VAL 171 CO -0.10 0.08 1.11 -0.94 0.00 0.00 0.00 175.10 175.26 1va4 s SER 172 N 0.99 4.08 0.32 3.32 1.04 -1.26 -4.87 113.70 117.32 1va4 s SER 172 Ca -0.08 1.97 0.01 0.00 0.48 0.00 0.00 55.95 58.33 1va4 s SER 172 Cb -0.11 -2.54 0.54 0.00 0.10 0.00 0.00 66.02 64.01 1va4 s SER 172 CO -0.03 -2.33 1.93 1.56 0.98 0.00 0.00 173.24 175.35 1va4 h GLN 173 N -1.22 0.80 -0.30 4.02 1.08 -2.01 -2.23 115.11 115.26 1va4 h GLN 173 Ca -0.44 -0.10 0.04 0.00 -1.45 0.00 0.00 58.65 56.70 1va4 h GLN 173 Cb 1.25 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.49 1va4 h GLN 173 CO 0.49 0.62 0.09 0.78 -0.95 0.00 0.00 178.83 179.86 1va4 h GLY 174 N 0.90 0.37 1.03 3.46 0.00 -1.99 1.00 103.07 107.84 1va4 h GLY 174 Ca 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1va4 h GLY 174 CO -0.03 0.02 0.44 -2.08 0.00 0.00 0.00 176.54 174.89 1va4 h VAL 175 N 0.22 1.26 -0.63 4.60 2.07 -1.82 -0.42 116.25 121.53 1va4 h VAL 175 Ca 0.14 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1va4 h VAL 175 Cb 0.12 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1va4 h VAL 175 CO -0.15 0.30 0.10 1.56 0.02 0.00 0.00 177.57 179.40 1va4 h GLN 176 N 1.23 1.04 -0.25 1.57 4.20 -1.02 0.21 115.11 122.09 1va4 h GLN 176 Ca 0.30 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1va4 h GLN 176 Cb 0.08 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1va4 h GLN 176 CO -0.04 0.95 0.09 1.15 -0.67 0.00 0.00 178.83 180.31 1va4 h THR 177 N 0.98 1.19 -0.82 -0.54 2.02 -0.53 -1.71 112.91 113.50 1va4 h THR 177 Ca 0.19 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1va4 h THR 177 Cb 0.42 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1va4 h THR 177 CO 0.01 0.19 0.46 -0.61 0.37 0.00 0.00 175.52 175.94 1va4 h GLN 178 N 0.25 1.13 -0.28 6.66 4.15 -0.86 0.18 115.11 126.34 1va4 h GLN 178 Ca 0.08 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1va4 h GLN 178 Cb 0.21 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1va4 h GLN 178 CO -0.00 0.82 0.12 1.15 -1.93 0.00 0.00 178.83 178.98 1va4 h THR 179 N 1.14 1.17 -0.37 2.39 2.02 -0.78 -0.73 112.91 117.74 1va4 h THR 179 Ca 0.29 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1va4 h THR 179 Cb 0.01 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1va4 h THR 179 CO -0.05 0.17 0.12 0.25 0.37 0.00 0.00 175.52 176.38 1va4 h LEU 180 N 0.30 0.53 -0.44 2.58 5.85 -1.08 -2.19 115.31 120.87 1va4 h LEU 180 Ca 0.09 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1va4 h LEU 180 Cb 0.16 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1va4 h LEU 180 CO -0.01 0.59 0.18 -0.61 -0.34 0.00 0.00 178.44 178.26 1va4 h GLN 181 N 0.45 0.36 -0.57 1.25 4.15 -0.72 -1.86 115.11 118.17 1va4 h GLN 181 Ca 0.12 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 1va4 h GLN 181 Cb 0.25 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1va4 h GLN 181 CO -0.00 0.24 0.17 0.82 -1.93 0.00 0.00 178.83 178.12 1va4 h ILE 182 N 0.37 1.24 -0.30 2.39 2.04 -1.06 -2.96 117.51 119.24 1va4 h ILE 182 Ca 0.20 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1va4 h ILE 182 Cb 0.15 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1va4 h ILE 182 CO -0.17 0.31 -0.01 0.00 0.00 0.00 0.00 178.15 178.28 1va4 h ALA 183 N 1.04 1.44 0.00 1.87 0.00 -1.15 -2.17 119.26 120.29 1va4 h ALA 183 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1va4 h ALA 183 Cb 0.30 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1va4 h ALA 183 CO -0.00 0.40 -0.07 -0.07 0.00 0.00 0.00 179.25 179.51 1va4 h LEU 184 N 0.44 0.00 -1.74 0.00 3.38 -1.17 -2.21 115.31 114.00 1va4 h LEU 184 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1va4 h LEU 184 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1va4 h LEU 184 CO 0.01 0.07 -0.16 -0.07 0.09 0.00 0.00 178.44 178.37 1va4 h LEU 185 N 0.00 0.00-10.25 1.67 3.38 -1.36 -3.45 115.31 105.29 1va4 h LEU 185 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1va4 h LEU 185 Cb 0.59 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.46 1va4 h LEU 185 CO 0.01 0.16 0.34 0.00 0.09 0.00 0.00 178.44 179.05 1va4 s ALA 186 N -4.51 2.31 0.27 1.53 0.00 -0.83 -4.55 121.76 115.98 1va4 s ALA 186 Ca -0.04 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1va4 s ALA 186 Cb 0.15 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 1va4 s ALA 186 CO 0.66 -1.60 1.40 0.45 0.00 0.00 0.00 175.76 176.67 1va4 s SER 187 N -2.93 6.69 0.18 0.00 0.15 0.66 -4.96 113.70 113.49 1va4 s SER 187 Ca 0.65 2.67 -0.13 0.00 0.70 0.00 0.00 55.95 59.83 1va4 s SER 187 Cb -0.19 -2.63 0.13 0.00 -1.71 0.00 0.00 66.02 61.61 1va4 s SER 187 CO 0.49 -0.65 1.78 0.25 1.20 0.00 0.00 173.24 176.31 1va4 h LEU 188 N 4.58 0.35 0.01 3.45 5.85 -1.94 -0.55 115.31 127.05 1va4 h LEU 188 Ca -0.47 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1va4 h LEU 188 Cb 1.22 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1va4 h LEU 188 CO 0.74 0.25 -0.03 0.50 -0.34 0.00 0.00 178.44 179.55 1va4 h LYS 189 N 0.48 -0.06 -0.94 1.25 1.63 -1.96 -1.68 116.57 115.29 1va4 h LYS 189 Ca 0.22 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1va4 h LYS 189 Cb 0.13 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.72 1va4 h LYS 189 CO -0.15 -0.04 0.57 0.00 -3.45 0.00 0.00 179.45 176.38 1va4 h ALA 190 N 0.93 1.25 -0.24 5.00 0.00 -1.84 0.07 119.26 124.44 1va4 h ALA 190 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1va4 h ALA 190 Cb 0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1va4 h ALA 190 CO -0.03 0.65 0.13 1.15 0.00 0.00 0.00 179.25 181.15 1va4 h THR 191 N 1.29 1.01 -0.12 0.00 2.02 -0.73 -1.07 112.91 115.31 1va4 h THR 191 Ca 0.34 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.34 1va4 h THR 191 Cb -0.07 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1va4 h THR 191 CO -0.06 0.05 -0.27 0.58 0.37 0.00 0.00 175.52 176.19 1va4 h VAL 192 N 0.27 1.38 -0.70 3.16 2.07 -1.09 -3.14 116.25 118.20 1va4 h VAL 192 Ca 0.10 -1.55 0.13 0.00 0.82 0.00 0.00 66.70 66.20 1va4 h VAL 192 Cb 0.01 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1va4 h VAL 192 CO -0.06 0.46 0.47 0.44 0.02 0.00 0.00 177.57 178.90 1va4 h ASP 193 N -0.02 0.38 0.18 0.57 5.19 -0.92 -1.38 116.42 120.41 1va4 h ASP 193 Ca 0.00 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.33 1va4 h ASP 193 Cb 0.86 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1va4 h ASP 193 CO 0.06 0.21 -0.34 0.00 -3.12 0.00 0.00 179.24 176.04 1va4 h VAL 195 N 0.21 1.09 -0.36 0.00 2.07 -1.26 0.10 116.25 118.11 1va4 h VAL 195 Ca 0.03 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1va4 h VAL 195 Cb 0.71 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1va4 h VAL 195 CO 0.05 0.09 0.01 0.74 0.02 0.00 0.00 177.57 178.49 1va4 h THR 196 N 0.24 0.75 0.33 2.57 2.02 -1.34 0.94 112.91 118.43 1va4 h THR 196 Ca 0.07 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1va4 h THR 196 Cb 0.04 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1va4 h THR 196 CO -0.01 0.02 -0.21 0.00 0.37 0.00 0.00 175.52 175.69 1va4 h ALA 197 N 1.30 -0.51 0.00 6.16 0.00 -0.67 -2.33 119.26 123.21 1va4 h ALA 197 Ca 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1va4 h ALA 197 Cb 0.23 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1va4 h ALA 197 CO -0.28 -0.80 -0.35 0.27 0.00 0.00 0.00 179.25 178.09 1va4 h PHE 198 N -0.52 0.00 -0.25 0.00 -5.15 -0.75 -1.69 116.94 108.59 1va4 h PHE 198 Ca -0.03 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.63 1va4 h PHE 198 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.59 1va4 h PHE 198 CO -0.09 0.35 -0.30 0.00 -2.00 0.00 0.00 178.31 176.27 1va4 h ALA 199 N 1.65 1.02 0.00 12.09 0.00 -0.70 -3.38 119.26 129.93 1va4 h ALA 199 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1va4 h ALA 199 Cb 0.95 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1va4 h ALA 199 CO 0.05 0.59 0.00 0.39 0.00 0.00 0.00 179.25 180.27 1va4 n GLU 200 N -4.09 6.69 -2.78 0.00 1.02 -0.89 -2.56 120.64 118.05 1va4 n GLU 200 Ca -0.01 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 1va4 n GLU 200 Cb 0.44 -0.50 -0.03 0.00 -0.02 0.00 0.00 31.44 31.33 1va4 n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1va4 s THR 201 N -0.96 4.87 -0.38 2.62 2.01 -0.64 -5.02 115.64 118.13 1va4 s THR 201 Ca 0.00 1.91 -0.15 0.00 0.31 0.00 0.00 61.69 63.76 1va4 s THR 201 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1va4 s THR 201 CO 0.00 0.11 0.32 -0.62 -0.69 0.00 0.00 174.62 173.74 1va4 s ASP 202 N 1.02 6.13 0.00 3.53 -1.08 -1.26 -4.52 116.67 120.49 1va4 s ASP 202 Ca 0.47 -0.62 0.20 0.00 -0.52 0.00 0.00 52.55 52.08 1va4 s ASP 202 Cb -0.19 -2.17 0.55 0.00 -1.46 0.00 0.00 42.92 39.65 1va4 s ASP 202 CO 0.21 -0.41 1.46 0.49 0.52 0.00 0.00 175.17 177.45 1va4 n PHE 203 N 5.28 0.77 -0.22 -5.34 3.72 0.12 -4.50 117.46 117.28 1va4 n PHE 203 Ca -0.10 -0.38 -0.02 0.00 -0.05 0.00 0.00 57.45 56.90 1va4 n PHE 203 Cb 0.48 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.12 1va4 n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1va4 h ARG 204 N 3.77 0.63 -0.86 -1.08 3.08 -1.88 -0.90 114.38 117.15 1va4 h ARG 204 Ca 0.00 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.13 1va4 h ARG 204 Cb 0.86 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.68 1va4 h ARG 204 CO 0.00 0.42 0.48 -1.35 -1.07 0.00 0.00 179.97 178.45 1va4 h PRO 205 N 0.65 0.73 -0.98 0.04 0.11 -1.93 -2.22 132.00 128.41 1va4 h PRO 205 Ca 0.29 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.38 1va4 h PRO 205 Cb 0.20 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.09 1va4 h PRO 205 CO -0.19 0.48 0.65 -0.44 -0.21 0.00 0.00 178.00 178.29 1va4 h ASP 206 N 0.75 1.11 -0.69 -2.05 5.19 -1.51 -2.63 116.42 116.59 1va4 h ASP 206 Ca 0.44 -0.02 0.10 0.00 -0.62 0.00 0.00 57.03 56.92 1va4 h ASP 206 Cb 0.50 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 39.70 1va4 h ASP 206 CO -0.30 0.79 0.46 0.24 -3.12 0.00 0.00 179.24 177.32 1va4 h MET 207 N 1.31 0.55 0.00 3.56 2.86 -0.60 -0.80 114.93 121.81 1va4 h MET 207 Ca 0.37 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1va4 h MET 207 Cb -0.12 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.42 1va4 h MET 207 CO -0.09 0.37 0.00 0.00 1.06 0.00 0.00 176.91 178.25 1va4 h ALA 208 N 1.65 1.00 -0.01 6.32 0.00 -1.48 -3.02 119.26 123.72 1va4 h ALA 208 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1va4 h ALA 208 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1va4 h ALA 208 CO -0.11 0.00 -0.30 1.63 0.00 0.00 0.00 179.25 180.47 1va4 n LYS 209 N -2.51 0.86 -2.65 0.00 5.02 -0.32 -4.82 118.16 113.73 1va4 n LYS 209 Ca 0.04 -0.54 -0.42 0.00 -2.02 0.00 0.00 58.31 55.37 1va4 n LYS 209 Cb 0.39 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 1va4 n LYS 209 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1va4 s ILE 210 N -2.52 4.01 -0.32 -0.18 1.01 -1.14 -4.86 121.20 117.20 1va4 s ILE 210 Ca 0.23 0.46 0.08 0.00 0.00 0.00 0.00 60.65 61.41 1va4 s ILE 210 Cb 0.19 -4.76 0.48 0.00 0.01 0.00 0.00 42.46 38.38 1va4 s ILE 210 CO 0.54 -1.51 1.43 -0.90 0.00 0.00 0.00 174.94 174.50 1va4 n ASP 211 N 8.54 3.33 -4.33 3.58 5.75 -1.26 -4.47 116.55 127.69 1va4 n ASP 211 Ca 0.04 -3.80 -0.20 0.00 -0.01 0.00 0.00 54.79 50.82 1va4 n ASP 211 Cb 0.48 -0.59 -0.11 0.00 -1.03 0.00 0.00 41.12 39.87 1va4 n ASP 211 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1va4 s VAL 212 N -3.67 1.71 0.24 2.12 -7.23 -1.26 -5.11 120.40 107.19 1va4 s VAL 212 Ca 0.47 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.30 1va4 s VAL 212 Cb 0.41 -1.89 -0.14 0.00 0.56 0.00 0.00 36.38 35.32 1va4 s VAL 212 CO -0.00 -0.47 1.18 -2.65 -0.31 0.00 0.00 175.10 172.85 1va4 n PRO 213 N 0.00 1.49 -3.83 4.82 -0.02 -1.26 -4.77 135.00 131.44 1va4 n PRO 213 Ca -0.11 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 1va4 n PRO 213 Cb 0.59 -2.03 -0.15 0.00 -0.02 0.00 0.00 33.50 31.89 1va4 n PRO 213 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1va4 s THR 214 N -0.50 -0.03 -0.11 3.45 2.01 -1.26 -1.10 115.64 118.11 1va4 s THR 214 Ca 0.66 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.79 1va4 s THR 214 Cb -0.74 -0.04 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1va4 s THR 214 CO 0.55 0.04 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.09 1va4 s LEU 215 N 0.47 1.99 -0.20 4.42 2.96 -0.08 -0.97 118.68 127.28 1va4 s LEU 215 Ca -0.04 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 1va4 s LEU 215 Cb -0.06 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 1va4 s LEU 215 CO -0.01 0.10 0.02 -0.69 -1.32 0.00 0.00 176.35 174.45 1va4 s VAL 216 N 0.60 4.20 -0.02 1.68 1.01 0.23 -0.62 120.40 127.48 1va4 s VAL 216 Ca -0.13 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1va4 s VAL 216 Cb -0.17 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1va4 s VAL 216 CO 0.04 0.43 -0.19 -0.63 0.00 0.00 0.00 175.10 174.75 1va4 s ILE 217 N 0.85 1.50 -0.07 2.22 1.01 -0.05 -0.54 121.20 126.11 1va4 s ILE 217 Ca 0.02 -0.79 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 1va4 s ILE 217 Cb -0.14 -1.26 0.05 0.00 0.01 0.00 0.00 42.46 41.11 1va4 s ILE 217 CO 0.02 0.43 0.49 -2.28 0.00 0.00 0.00 174.94 173.60 1va4 s HIS 218 N -0.29 -0.44 0.06 3.97 2.46 -1.00 -0.88 115.29 119.17 1va4 s HIS 218 Ca 0.04 0.86 -0.20 0.00 0.47 0.00 0.00 55.06 56.22 1va4 s HIS 218 Cb -0.09 0.23 -0.06 0.00 -0.13 0.00 0.00 32.58 32.53 1va4 s HIS 218 CO 0.00 -0.43 0.60 0.20 -2.47 0.00 0.00 174.74 172.64 1va4 s GLY 219 N -0.85 2.68 0.00 1.59 0.00 -1.26 -1.33 107.32 108.16 1va4 s GLY 219 Ca -0.09 0.07 0.11 0.00 0.00 0.00 0.00 44.72 44.81 1va4 s GLY 219 CO 0.05 0.60 1.27 2.09 0.00 0.00 0.00 173.10 177.12 1va4 n ASP 220 N 2.03 1.89 -1.24 1.64 5.68 -0.99 -2.94 116.55 122.62 1va4 n ASP 220 Ca -0.09 -1.99 0.08 0.00 -0.50 0.00 0.00 54.79 52.29 1va4 n ASP 220 Cb 0.51 -0.23 0.31 0.00 -1.14 0.00 0.00 41.12 40.56 1va4 n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1va4 n GLY 221 N 1.07 3.53 3.63 6.12 0.00 -0.70 -4.71 105.19 114.13 1va4 n GLY 221 Ca 0.12 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1va4 n GLY 221 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1va4 s ASP 222 N -1.44 6.06 0.00 1.61 -1.08 -0.98 -4.55 116.67 116.30 1va4 s ASP 222 Ca 0.46 1.96 0.27 0.00 -0.52 0.00 0.00 52.55 54.71 1va4 s ASP 222 Cb 0.35 -2.52 0.81 0.00 -1.46 0.00 0.00 42.92 40.09 1va4 s ASP 222 CO 0.13 -1.47 1.63 0.00 0.52 0.00 0.00 175.17 175.98 1va4 n GLN 223 N 8.04 0.00 -0.09 4.34 6.02 -1.26 -4.42 117.38 130.01 1va4 n GLN 223 Ca 0.23 -0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.04 1va4 n GLN 223 Cb 0.44 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.14 1va4 n GLN 223 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1va4 n ILE 224 N -1.50 1.24 -3.98 5.09 2.08 -1.26 -4.88 119.36 116.15 1va4 n ILE 224 Ca 0.06 -0.13 -0.31 0.00 0.56 0.00 0.00 62.75 62.93 1va4 n ILE 224 Cb 0.34 -1.91 -0.14 0.00 -0.75 0.00 0.00 39.64 37.18 1va4 n ILE 224 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1va4 s VAL 225 N -2.48 2.44 0.07 1.39 1.01 -1.26 -5.07 120.40 116.50 1va4 s VAL 225 Ca -0.27 -2.52 -0.31 0.00 0.00 0.00 0.00 61.98 58.89 1va4 s VAL 225 Cb 0.09 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 1va4 s VAL 225 CO 0.35 -0.65 1.81 -2.16 0.00 0.00 0.00 175.10 174.45 1va4 s PRO 226 N 0.68 4.16 0.18 2.72 0.05 -1.26 -4.81 135.00 136.72 1va4 s PRO 226 Ca 0.12 2.50 -0.14 0.00 0.05 0.00 0.00 61.00 63.53 1va4 s PRO 226 Cb -0.21 -3.78 0.17 0.00 0.05 0.00 0.00 34.50 30.73 1va4 s PRO 226 CO -0.06 -0.85 1.70 0.35 0.05 0.00 0.00 177.00 178.19 1va4 h PHE 227 N 9.14 0.02 0.00 0.56 3.04 -1.81 -2.82 116.94 125.07 1va4 h PHE 227 Ca -0.45 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.53 1va4 h PHE 227 Cb 1.22 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.79 1va4 h PHE 227 CO 0.84 -0.07 -0.00 0.93 -2.02 0.00 0.00 178.31 177.99 1va4 h GLU 228 N 0.14 0.00 -0.14 1.11 4.39 -1.94 -1.47 114.58 116.68 1va4 h GLU 228 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1va4 h GLU 228 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1va4 h GLU 228 CO -0.36 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 177.74 1va4 n THR 229 N -4.24 0.35 0.00 1.13 -2.24 -1.10 -4.47 114.28 103.70 1va4 n THR 229 Ca -0.03 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1va4 n THR 229 Cb 0.09 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1va4 n THR 229 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1va4 n THR 230 N 0.64 0.00 -0.28 4.28 -2.24 -0.99 -4.63 114.28 111.05 1va4 n THR 230 Ca 0.09 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 1va4 n THR 230 Cb 0.35 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.82 1va4 n THR 230 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1va4 h GLY 231 N 0.00 1.29 0.91 3.38 0.00 -1.58 0.14 103.07 107.21 1va4 h GLY 231 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.26 1va4 h GLY 231 CO 0.00 -0.20 0.57 1.70 0.00 0.00 0.00 176.54 178.61 1va4 h LYS 232 N 0.38 0.97 0.19 4.80 3.64 -1.54 -2.14 116.57 122.88 1va4 h LYS 232 Ca 0.48 -0.06 -0.34 0.00 -1.27 0.00 0.00 60.65 59.46 1va4 h LYS 232 Cb 0.84 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1va4 h LYS 232 CO -0.49 0.64 -1.67 0.28 -2.27 0.00 0.00 179.45 175.94 1va4 h VAL 233 N 1.00 1.00 -0.86 2.00 2.07 -1.27 -3.29 116.25 116.90 1va4 h VAL 233 Ca 0.37 -2.52 0.09 0.00 0.82 0.00 0.00 66.70 65.46 1va4 h VAL 233 Cb 0.17 2.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.68 1va4 h VAL 233 CO -0.13 0.84 0.51 0.00 0.02 0.00 0.00 177.57 178.80 1va4 h ALA 234 N 0.10 1.23 0.00 1.67 0.00 -0.72 -0.87 119.26 120.67 1va4 h ALA 234 Ca -0.33 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1va4 h ALA 234 Cb 2.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1va4 h ALA 234 CO 0.18 0.15 -0.12 0.00 0.00 0.00 0.00 179.25 179.46 1va4 h ALA 235 N 1.46 1.59 0.11 0.00 0.00 -1.47 -1.98 119.26 118.97 1va4 h ALA 235 Ca 0.41 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.90 1va4 h ALA 235 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1va4 h ALA 235 CO -0.24 0.15 -1.63 0.93 0.00 0.00 0.00 179.25 178.46 1va4 h GLU 236 N 0.00 0.24 0.00 0.00 4.39 -1.39 -3.37 114.58 114.45 1va4 h GLU 236 Ca -0.00 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.25 1va4 h GLU 236 Cb 0.24 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1va4 h GLU 236 CO 0.02 1.08 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.67 1va4 h LEU 237 N 0.07 0.00 -9.00 1.33 3.38 -0.98 -3.42 115.31 106.68 1va4 h LEU 237 Ca -0.28 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.07 1va4 h LEU 237 Cb 2.02 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.64 1va4 h LEU 237 CO 0.15 0.21 -0.14 -0.63 0.09 0.00 0.00 178.44 178.12 1va4 s ILE 238 N -3.42 5.14 0.16 1.22 1.01 -0.76 -4.53 121.20 120.02 1va4 s ILE 238 Ca 0.03 0.73 -0.32 0.00 0.00 0.00 0.00 60.65 61.09 1va4 s ILE 238 Cb 0.08 -3.76 -0.12 0.00 0.01 0.00 0.00 42.46 38.68 1va4 s ILE 238 CO 0.65 0.15 1.75 1.17 0.00 0.00 0.00 174.94 178.67 1va4 n LYS 239 N 5.20 2.69 -0.90 2.79 4.81 -1.26 -2.17 118.16 129.32 1va4 n LYS 239 Ca -0.07 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1va4 n LYS 239 Cb 0.50 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.73 1va4 n LYS 239 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1va4 n GLY 240 N 4.01 0.68 3.78 3.14 0.00 -1.26 -4.88 105.19 110.66 1va4 n GLY 240 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1va4 n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va4 s ALA 241 N -2.98 3.50 0.03 4.61 0.00 -0.92 -4.66 121.76 121.34 1va4 s ALA 241 Ca 0.00 1.54 -0.10 0.00 0.00 0.00 0.00 51.96 53.40 1va4 s ALA 241 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1va4 s ALA 241 CO 0.00 -1.06 0.35 -2.00 0.00 0.00 0.00 175.76 173.05 1va4 s GLU 242 N -2.16 3.73 -0.11 0.00 2.12 -0.14 -4.94 118.70 117.20 1va4 s GLU 242 Ca 0.54 0.15 0.03 0.00 0.36 0.00 0.00 54.97 56.05 1va4 s GLU 242 Cb -0.46 -3.09 -0.00 0.00 0.26 0.00 0.00 34.13 30.84 1va4 s GLU 242 CO 0.61 0.63 -0.21 -1.17 -0.54 0.00 0.00 175.26 174.59 1va4 s LEU 243 N -1.59 2.28 -0.11 2.70 2.96 -1.26 -0.60 118.68 123.06 1va4 s LEU 243 Ca 0.28 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1va4 s LEU 243 Cb -0.14 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.08 1va4 s LEU 243 CO 0.15 0.16 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.58 1va4 s LYS 244 N 0.33 2.96 -0.21 1.98 1.02 0.30 -4.99 119.74 121.14 1va4 s LYS 244 Ca -0.16 -0.85 -0.04 0.00 0.02 0.00 0.00 55.97 54.94 1va4 s LYS 244 Cb -0.17 -2.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1va4 s LYS 244 CO 0.08 0.13 -0.03 0.08 -0.92 0.00 0.00 175.35 174.69 1va4 s VAL 245 N 0.46 3.53 -0.30 3.17 1.01 -1.26 -2.37 120.40 124.63 1va4 s VAL 245 Ca -0.16 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1va4 s VAL 245 Cb -0.17 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1va4 s VAL 245 CO 0.06 0.43 0.61 -0.31 0.00 0.00 0.00 175.10 175.89 1va4 s TYR 246 N 1.27 3.22 0.09 5.22 1.51 -0.44 -4.96 117.35 123.25 1va4 s TYR 246 Ca 0.03 0.57 -0.31 0.00 -1.01 0.00 0.00 57.07 56.35 1va4 s TYR 246 Cb -0.14 -2.95 -0.08 0.00 -0.11 0.00 0.00 41.96 38.68 1va4 s TYR 246 CO -0.01 -0.45 1.53 0.21 -1.11 0.00 0.00 175.55 175.72 1va4 s LYS 247 N 2.55 4.24 0.00 -0.62 2.20 -1.26 -1.91 119.74 124.94 1va4 s LYS 247 Ca 0.24 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 1va4 s LYS 247 Cb -0.15 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1va4 s LYS 247 CO 0.11 -0.62 0.00 -0.25 -0.36 0.00 0.00 175.35 174.24 1va4 n ASP 248 N 4.84 -5.66 -4.76 1.43 10.43 -1.26 -4.88 116.55 116.69 1va4 n ASP 248 Ca 0.14 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.12 1va4 n ASP 248 Cb 0.41 -3.41 0.01 0.00 1.84 0.00 0.00 41.12 39.97 1va4 n ASP 248 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1va4 s ALA 249 N -0.98 2.99 0.91 2.24 0.00 -0.80 -4.16 121.76 121.95 1va4 s ALA 249 Ca 0.00 1.19 -0.08 0.00 0.00 0.00 0.00 51.96 53.07 1va4 s ALA 249 Cb 0.00 -3.49 0.12 0.00 0.00 0.00 0.00 23.12 19.75 1va4 s ALA 249 CO 0.00 -1.01 0.72 -0.35 0.00 0.00 0.00 175.76 175.12 1va4 n PRO 250 N -0.56 -0.55 0.04 0.00 -0.04 -1.26 -1.72 135.00 130.92 1va4 n PRO 250 Ca 0.08 -1.26 -0.12 0.00 -0.04 0.00 0.00 63.50 62.16 1va4 n PRO 250 Cb 0.45 -0.70 -0.07 0.00 -0.04 0.00 0.00 33.50 33.15 1va4 n PRO 250 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1va4 h HIS 251 N -1.25 -0.01 0.00 0.54 -0.00 -1.78 -3.30 115.15 109.36 1va4 h HIS 251 Ca -0.23 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 59.97 1va4 h HIS 251 Cb 0.68 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.04 1va4 h HIS 251 CO 0.00 -0.00 -0.30 0.41 -0.00 0.00 0.00 177.93 178.03 1va4 n GLY 252 N -1.09 2.82 0.05 5.26 0.00 0.07 -4.59 105.19 107.71 1va4 n GLY 252 Ca -0.07 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.03 1va4 n GLY 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1va4 n PHE 253 N 2.47 0.40 0.27 1.61 1.16 -1.24 -2.30 117.46 119.82 1va4 n PHE 253 Ca 0.37 0.12 0.13 0.00 -1.87 0.00 0.00 57.45 56.21 1va4 n PHE 253 Cb 0.83 -0.70 0.75 0.00 -1.61 0.00 0.00 39.48 38.74 1va4 n PHE 253 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1va4 h ALA 254 N 2.71 1.25 0.00 1.98 0.00 -1.88 0.21 119.26 123.52 1va4 h ALA 254 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1va4 h ALA 254 Cb 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1va4 h ALA 254 CO 0.00 0.13 -0.48 0.28 0.00 0.00 0.00 179.25 179.19 1va4 h VAL 255 N 0.00 0.39 0.00 0.00 2.07 -1.83 -3.28 116.25 113.60 1va4 h VAL 255 Ca -0.00 -1.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.05 1va4 h VAL 255 Cb 0.33 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1va4 h VAL 255 CO 0.01 0.13 -0.33 0.71 0.02 0.00 0.00 177.57 178.12 1va4 h THR 256 N -1.00 1.00 -0.66 2.57 1.35 -1.45 -3.13 112.91 111.59 1va4 h THR 256 Ca -0.07 -1.22 -0.46 0.00 -0.55 0.00 0.00 66.41 64.10 1va4 h THR 256 Cb 0.60 1.71 -0.42 0.00 -1.73 0.00 0.00 68.15 68.30 1va4 h THR 256 CO -0.04 0.32 -0.90 1.41 -0.25 0.00 0.00 175.52 176.05 1va4 n HIS 257 N -3.81 2.34 -0.12 4.73 -0.00 0.73 -4.91 115.22 114.17 1va4 n HIS 257 Ca -0.01 -2.20 -0.06 0.00 -0.00 0.00 0.00 57.72 55.45 1va4 n HIS 257 Cb 0.41 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 1va4 n HIS 257 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1va4 h ALA 258 N 2.30 -0.00 -0.21 -1.41 0.00 -1.57 -0.67 119.26 117.69 1va4 h ALA 258 Ca 0.23 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1va4 h ALA 258 Cb 1.46 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1va4 h ALA 258 CO 0.60 -0.62 -0.05 0.37 0.00 0.00 0.00 179.25 179.54 1va4 h GLN 259 N -0.18 0.41 -0.77 0.00 4.15 -1.89 -0.02 115.11 116.81 1va4 h GLN 259 Ca 0.19 -0.16 0.06 0.00 0.77 0.00 0.00 58.65 59.52 1va4 h GLN 259 Cb 0.48 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 1va4 h GLN 259 CO -0.50 0.66 0.45 0.37 -1.93 0.00 0.00 178.83 177.87 1va4 h GLN 260 N 0.13 0.80 -0.41 1.69 4.15 -1.92 -1.59 115.11 117.96 1va4 h GLN 260 Ca 0.05 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1va4 h GLN 260 Cb 0.51 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1va4 h GLN 260 CO 0.02 0.53 0.02 1.25 -1.93 0.00 0.00 178.83 178.72 1va4 h LEU 261 N 0.82 0.68 -0.62 -2.39 5.85 -0.81 -1.34 115.31 117.50 1va4 h LEU 261 Ca 0.34 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1va4 h LEU 261 Cb 0.20 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1va4 h LEU 261 CO -0.18 0.81 0.31 0.78 -0.34 0.00 0.00 178.44 179.81 1va4 h ASN 262 N 0.54 0.42 -0.47 1.25 2.35 -0.60 0.22 115.58 119.28 1va4 h ASN 262 Ca 0.12 0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 1va4 h ASN 262 Cb 0.44 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1va4 h ASN 262 CO 0.02 0.27 -0.09 -0.33 -1.65 0.00 0.00 177.43 175.64 1va4 h GLU 263 N 0.56 0.94 -0.22 0.81 5.08 -1.14 -1.64 114.58 118.97 1va4 h GLU 263 Ca 0.29 -0.33 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1va4 h GLU 263 Cb 0.24 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1va4 h GLU 263 CO -0.22 0.99 -0.54 -0.44 -1.00 0.00 0.00 179.01 177.80 1va4 h ASP 264 N 0.85 0.72 -0.09 1.42 3.32 -0.82 -0.85 116.42 120.97 1va4 h ASP 264 Ca 0.14 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1va4 h ASP 264 Cb 0.63 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1va4 h ASP 264 CO 0.04 1.12 0.05 -0.07 -1.72 0.00 0.00 179.24 178.66 1va4 h LEU 265 N 0.50 0.12 -0.78 1.55 3.38 -0.83 -1.08 115.31 118.17 1va4 h LEU 265 Ca 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1va4 h LEU 265 Cb 1.10 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1va4 h LEU 265 CO 0.11 0.18 0.43 0.25 0.09 0.00 0.00 178.44 179.50 1va4 h LEU 266 N 0.04 0.97 -0.99 1.67 5.85 -1.21 -1.25 115.31 120.40 1va4 h LEU 266 Ca 0.03 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1va4 h LEU 266 Cb 0.09 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1va4 h LEU 266 CO -0.00 0.79 0.14 0.00 -0.34 0.00 0.00 178.44 179.02 1va4 h ALA 267 N 1.22 1.18 0.03 1.25 0.00 -1.05 -1.51 119.26 120.38 1va4 h ALA 267 Ca 0.27 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1va4 h ALA 267 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1va4 h ALA 267 CO -0.04 0.56 -0.01 0.35 0.00 0.00 0.00 179.25 180.10 1va4 h PHE 268 N 0.84 -0.04 -0.06 0.00 3.57 -0.77 -2.55 116.94 117.93 1va4 h PHE 268 Ca 0.18 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1va4 h PHE 268 Cb 0.30 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1va4 h PHE 268 CO 0.02 0.05 0.01 -0.07 -2.23 0.00 0.00 178.31 176.09 1va4 h LEU 269 N -0.12 0.07 -1.57 0.59 3.38 -1.06 -2.53 115.31 114.07 1va4 h LEU 269 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1va4 h LEU 269 Cb 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1va4 h LEU 269 CO 0.01 0.08 0.00 0.29 0.09 0.00 0.00 178.44 178.91 1va4 n LYS 270 N -4.50 2.01 0.00 1.13 5.02 -0.58 -5.11 118.16 116.13 1va4 n LYS 270 Ca -0.02 -1.54 0.01 0.00 -2.02 0.00 0.00 58.31 54.74 1va4 n LYS 270 Cb 0.11 -1.40 0.08 0.00 -0.02 0.00 0.00 35.03 33.80 1va4 n LYS 270 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75