#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 0.60 0.17 0.44 -4.23 -1.26 -0.59 115.64 110.77 1va4 s THR 2 Ca 0.00 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1va4 s THR 2 Cb 0.00 -1.25 -0.05 0.00 1.34 0.00 0.00 72.50 72.55 1va4 s THR 2 CO 0.00 -0.69 0.01 0.72 -0.54 0.00 0.00 174.62 174.12 1va4 s PHE 3 N -2.76 1.20 -0.24 3.99 -0.12 -0.85 -4.97 117.98 114.24 1va4 s PHE 3 Ca 0.03 -1.04 -0.05 0.00 -0.05 0.00 0.00 56.93 55.83 1va4 s PHE 3 Cb -0.01 -0.69 -0.01 0.00 -0.63 0.00 0.00 43.02 41.69 1va4 s PHE 3 CO -0.03 -0.23 -0.00 0.08 -0.05 0.00 0.00 175.22 174.99 1va4 s VAL 4 N -3.68 3.61 0.93 -2.49 1.01 -1.26 -0.64 120.40 117.88 1va4 s VAL 4 Ca 0.24 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1va4 s VAL 4 Cb 0.06 -2.71 0.15 0.00 0.00 0.00 0.00 36.38 33.88 1va4 s VAL 4 CO 0.04 0.33 1.09 0.00 0.00 0.00 0.00 175.10 176.56 1va4 s ALA 5 N 1.50 1.30 0.28 5.51 0.00 0.29 -4.86 121.76 125.78 1va4 s ALA 5 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1va4 s ALA 5 Cb -0.15 -3.23 0.68 0.00 0.00 0.00 0.00 23.12 20.42 1va4 s ALA 5 CO -0.01 -2.57 1.65 -0.22 0.00 0.00 0.00 175.76 174.61 1va4 h LYS 6 N -1.71 0.22 -0.07 0.00 3.64 -1.97 0.25 116.57 116.92 1va4 h LYS 6 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1va4 h LYS 6 Cb 1.29 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1va4 h LYS 6 CO 0.52 0.14 0.00 -0.40 -2.27 0.00 0.00 179.45 177.44 1va4 n ASP 7 N -5.21 0.69 0.00 4.20 5.68 -1.26 -4.89 116.55 115.76 1va4 n ASP 7 Ca 0.21 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 1va4 n ASP 7 Cb 0.66 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1va4 n ASP 7 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1va4 n GLY 8 N 0.93 0.33 3.67 6.12 0.00 0.87 -5.06 105.19 112.06 1va4 n GLY 8 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 3.55 -0.11 2.61 2.01 -1.25 -4.71 115.64 115.74 1va4 s THR 9 Ca 0.00 0.77 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 1va4 s THR 9 Cb 0.00 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 1va4 s THR 9 CO 0.00 -0.05 0.98 -1.58 -0.69 0.00 0.00 174.62 173.28 1va4 s GLN 10 N 3.57 4.41 -0.17 4.92 0.74 -1.26 -0.55 119.66 131.32 1va4 s GLN 10 Ca 0.71 1.34 -0.02 0.00 0.05 0.00 0.00 55.36 57.44 1va4 s GLN 10 Cb -0.33 -3.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.22 1va4 s GLN 10 CO 0.29 -0.30 -0.08 0.42 -0.55 0.00 0.00 175.29 175.07 1va4 s ILE 11 N 1.98 3.39 0.16 -2.34 -1.09 0.19 -0.82 121.20 122.67 1va4 s ILE 11 Ca 0.47 -0.52 -0.22 0.00 -2.23 0.00 0.00 60.65 58.15 1va4 s ILE 11 Cb -0.18 -2.48 -0.08 0.00 -1.58 0.00 0.00 42.46 38.14 1va4 s ILE 11 CO 0.17 0.48 0.71 -0.47 -1.23 0.00 0.00 174.94 174.60 1va4 s TYR 12 N 0.72 3.79 0.13 3.97 5.04 -1.26 -2.01 117.35 127.74 1va4 s TYR 12 Ca -0.04 1.46 -0.10 0.00 -2.44 0.00 0.00 57.07 55.95 1va4 s TYR 12 Cb -0.15 -2.65 0.00 0.00 0.35 0.00 0.00 41.96 39.52 1va4 s TYR 12 CO 0.02 0.47 0.28 -0.59 -1.34 0.00 0.00 175.55 174.40 1va4 s PHE 13 N -1.27 0.19 0.07 4.97 -0.71 0.24 -0.84 117.98 120.62 1va4 s PHE 13 Ca 0.37 -0.57 0.07 0.00 -1.04 0.00 0.00 56.93 55.75 1va4 s PHE 13 Cb -0.20 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 1va4 s PHE 13 CO 0.23 -0.67 -0.13 0.15 -1.34 0.00 0.00 175.22 173.46 1va4 s LYS 14 N -3.90 2.15 -0.25 1.99 1.02 -0.00 -1.58 119.74 119.16 1va4 s LYS 14 Ca 0.10 -0.97 -0.04 0.00 0.02 0.00 0.00 55.97 55.08 1va4 s LYS 14 Cb 0.03 -2.28 0.09 0.00 -0.52 0.00 0.00 37.83 35.15 1va4 s LYS 14 CO -0.06 0.53 0.12 0.34 -0.92 0.00 0.00 175.35 175.36 1va4 s ASP 15 N -1.79 3.15 -0.05 2.83 -1.08 -1.26 -1.92 116.67 116.55 1va4 s ASP 15 Ca 0.18 -1.07 0.05 0.00 -0.52 0.00 0.00 52.55 51.19 1va4 s ASP 15 Cb -0.11 -0.32 -0.02 0.00 -1.46 0.00 0.00 42.92 41.01 1va4 s ASP 15 CO 0.09 -0.41 -0.19 0.26 0.52 0.00 0.00 175.17 175.45 1va4 s TRP 16 N 2.11 2.58 0.00 -5.34 0.51 0.36 -4.99 118.94 114.16 1va4 s TRP 16 Ca 0.07 -0.34 0.00 0.00 -2.12 0.00 0.00 56.10 53.70 1va4 s TRP 16 Cb -0.16 -1.61 0.00 0.00 -0.81 0.00 0.00 33.47 30.89 1va4 s TRP 16 CO -0.28 0.04 0.00 0.41 -0.51 0.00 0.00 176.95 176.62 1va4 n GLY 17 N 2.52 -1.83 3.21 0.98 0.00 -1.26 -0.23 105.19 108.58 1va4 n GLY 17 Ca -0.17 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 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 0.20 0.00 1.61 1.04 -1.25 -4.71 113.70 106.59 1va4 s SER 18 Ca 0.00 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1va4 s SER 18 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1va4 s SER 18 CO 0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1va4 n GLY 19 N -0.08 0.21 3.76 7.32 0.00 -1.26 -2.93 105.19 112.20 1va4 n GLY 19 Ca -0.10 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.23 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 0.00 4.21 0.20 1.61 -0.14 -1.26 -4.14 119.74 120.23 1va4 s LYS 20 Ca 0.00 2.42 -0.21 0.00 -1.36 0.00 0.00 55.97 56.81 1va4 s LYS 20 Cb 0.00 -3.05 -0.08 0.00 -1.68 0.00 0.00 37.83 33.02 1va4 s LYS 20 CO 0.00 -0.46 0.74 -1.25 -0.76 0.00 0.00 175.35 173.61 1va4 s PRO 21 N -0.96 4.34 -0.14 -1.68 0.04 -1.26 -1.54 135.00 133.80 1va4 s PRO 21 Ca 0.58 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 1va4 s PRO 21 Cb -0.44 -2.99 0.03 0.00 0.04 0.00 0.00 34.50 31.14 1va4 s PRO 21 CO 0.50 0.45 -0.06 0.08 0.04 0.00 0.00 177.00 178.01 1va4 s VAL 22 N -1.41 1.07 -0.19 -0.36 1.01 0.60 -1.47 120.40 119.64 1va4 s VAL 22 Ca 0.41 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1va4 s VAL 22 Cb -0.19 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 1va4 s VAL 22 CO 0.22 0.22 -0.10 -0.22 0.00 0.00 0.00 175.10 175.22 1va4 s LEU 23 N 1.67 2.66 -0.13 3.92 0.20 -0.49 -0.61 118.68 125.90 1va4 s LEU 23 Ca 0.02 -0.45 -0.04 0.00 0.69 0.00 0.00 54.13 54.36 1va4 s LEU 23 Cb -0.14 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 1va4 s LEU 23 CO -0.08 0.02 0.00 -0.36 -0.29 0.00 0.00 176.35 175.65 1va4 s PHE 24 N 1.20 3.14 -0.25 5.38 0.40 0.46 -0.78 117.98 127.54 1va4 s PHE 24 Ca 0.02 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 1va4 s PHE 24 Cb -0.14 -1.90 0.05 0.00 0.51 0.00 0.00 43.02 41.54 1va4 s PHE 24 CO -0.04 0.25 -0.12 0.45 0.70 0.00 0.00 175.22 176.46 1va4 s SER 25 N -0.23 4.26 0.93 1.36 0.15 0.13 -3.77 113.70 116.53 1va4 s SER 25 Ca 0.06 -1.29 -0.12 0.00 0.70 0.00 0.00 55.95 55.29 1va4 s SER 25 Cb -0.12 -1.54 0.15 0.00 -1.71 0.00 0.00 66.02 62.80 1va4 s SER 25 CO 0.02 -0.16 1.10 -1.38 1.20 0.00 0.00 173.24 174.02 1va4 s HIS 26 N 1.13 2.34 0.41 3.44 -3.43 -1.26 -1.43 115.29 116.49 1va4 s HIS 26 Ca -0.07 1.02 -0.05 0.00 -0.80 0.00 0.00 55.06 55.16 1va4 s HIS 26 Cb -0.19 -3.26 0.09 0.00 -1.43 0.00 0.00 32.58 27.79 1va4 s HIS 26 CO -0.06 -2.53 0.57 0.41 -2.00 0.00 0.00 174.74 171.12 1va4 n GLY 27 N -1.51 -0.52 3.76 -1.38 0.00 -1.21 -3.27 105.19 101.06 1va4 n GLY 27 Ca 0.06 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.96 3.31 0.00 1.61 -0.00 -1.26 -3.18 118.94 117.46 1va4 s TRP 28 Ca 0.34 1.47 0.00 0.00 -0.00 0.00 0.00 56.10 57.91 1va4 s TRP 28 Cb -0.01 -3.50 0.00 0.00 -0.00 0.00 0.00 33.47 29.95 1va4 s TRP 28 CO 0.23 -1.35 0.00 1.28 -0.00 0.00 0.00 176.95 177.11 1va4 n LEU 29 N 1.51 0.00 0.00 5.86 4.77 -1.26 -4.98 117.00 122.90 1va4 n LEU 29 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1va4 n LEU 29 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1va4 n LEU 29 CO 0.57 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.81 1va4 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.19 -3.21 117.00 119.60 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 -0.13 0.00 -0.90 -1.33 0.00 0.00 177.39 175.03 1va4 n ASP 31 N -0.76 0.00 0.31 -1.43 5.68 -1.26 -4.37 116.55 114.72 1va4 n ASP 31 Ca 0.00 -0.76 0.17 0.00 -0.50 0.00 0.00 54.79 53.70 1va4 n ASP 31 Cb 0.00 0.00 1.00 0.00 -1.14 0.00 0.00 41.12 40.98 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 1.85 1.36 0.00 2.12 0.00 -1.90 -1.59 119.26 121.10 1va4 h ALA 32 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 -0.44 0.00 0.00 0.00 179.25 178.82 1va4 h ASP 33 N 0.00 0.00 0.42 0.00 3.32 -1.95 -1.54 116.42 116.66 1va4 h ASP 33 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1va4 h ASP 33 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1va4 h ASP 33 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1va4 h MET 34 N 0.00 0.00 -0.02 3.56 -0.00 -1.70 -2.22 114.93 114.55 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 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.77 1va4 h MET 34 CO 0.00 0.00 -0.17 0.91 -0.00 0.00 0.00 176.91 177.65 1va4 n TRP 35 N -2.93 0.00 -0.27 -0.10 7.02 -0.58 -4.69 117.44 115.89 1va4 n TRP 35 Ca -0.01 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.54 1va4 n TRP 35 Cb 0.16 -0.02 0.21 0.00 -2.42 0.00 0.00 31.31 29.24 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 3.07 0.39 -0.36 -0.99 4.11 -1.51 0.11 114.58 119.41 1va4 h GLU 36 Ca 0.00 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 59.30 1va4 h GLU 36 Cb 0.75 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1va4 h GLU 36 CO 0.00 0.26 -0.21 1.88 0.07 0.00 0.00 179.01 181.00 1va4 h TYR 37 N 0.40 0.79 -0.16 2.06 0.05 -1.84 -1.00 116.97 117.27 1va4 h TYR 37 Ca 0.45 -0.17 -0.15 0.00 0.05 0.00 0.00 58.73 58.91 1va4 h TYR 37 Cb 0.73 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 1va4 h TYR 37 CO -0.18 0.86 -0.52 1.96 -1.05 0.00 0.00 178.16 179.23 1va4 h GLN 38 N 0.62 0.45 -0.15 4.88 7.50 -1.42 -1.47 115.11 125.51 1va4 h GLN 38 Ca 0.09 -0.27 -0.05 0.00 0.50 0.00 0.00 58.65 58.92 1va4 h GLN 38 Cb 0.70 0.03 -0.00 0.00 0.05 0.00 0.00 27.48 28.25 1va4 h GLN 38 CO 0.05 0.86 -0.10 0.52 -1.50 0.00 0.00 178.83 178.67 1va4 h MET 39 N 0.35 0.33 -0.50 1.46 2.86 -0.73 -1.89 114.93 116.82 1va4 h MET 39 Ca 0.01 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1va4 h MET 39 Cb 1.03 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 1va4 h MET 39 CO 0.09 0.68 0.16 1.49 1.06 0.00 0.00 176.91 180.39 1va4 h GLU 40 N -0.01 0.77 -0.24 1.72 4.22 -1.19 0.17 114.58 120.02 1va4 h GLU 40 Ca 0.03 -0.17 0.04 0.00 0.08 0.00 0.00 59.36 59.35 1va4 h GLU 40 Cb 0.59 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1va4 h GLU 40 CO 0.03 0.72 -0.04 -0.92 -2.18 0.00 0.00 179.01 176.62 1va4 h TYR 41 N 0.68 -0.08 0.05 0.92 3.20 -1.22 -2.25 116.97 118.26 1va4 h TYR 41 Ca 0.16 0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.80 1va4 h TYR 41 Cb 0.27 0.07 0.02 0.00 1.54 0.00 0.00 36.73 38.64 1va4 h TYR 41 CO 0.01 -0.08 -1.02 -0.07 -1.64 0.00 0.00 178.16 175.37 1va4 h LEU 42 N 0.03 0.80 -1.57 2.82 3.38 -1.19 -3.16 115.31 116.41 1va4 h LEU 42 Ca 0.11 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 1va4 h LEU 42 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1va4 h LEU 42 CO -0.22 1.49 -0.17 0.28 0.09 0.00 0.00 178.44 179.91 1va4 h SER 43 N 0.20 0.00 0.75 -0.43 0.02 -1.01 0.00 113.55 113.07 1va4 h SER 43 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1va4 h SER 43 Cb 1.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.24 1va4 h SER 43 CO 0.20 0.17 0.00 -1.20 -1.14 0.00 0.00 176.83 174.86 1va4 n SER 44 N -3.52 0.00 -1.36 3.07 7.64 -0.85 -3.54 113.62 115.07 1va4 n SER 44 Ca -0.01 0.41 -0.05 0.00 1.01 0.00 0.00 58.87 60.23 1va4 n SER 44 Cb 0.32 -0.47 0.11 0.00 -1.01 0.00 0.00 64.21 63.17 1va4 n SER 44 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1va4 n ARG 45 N -1.47 2.17 -0.69 1.43 1.74 -0.07 -4.98 116.66 114.80 1va4 n ARG 45 Ca 0.06 -3.51 0.00 0.00 -0.77 0.00 0.00 57.85 53.64 1va4 n ARG 45 Cb 0.26 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 -0.78 0.58 3.54 -0.13 0.00 -1.08 -5.00 105.19 102.32 1va4 n GLY 46 Ca 0.26 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 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 2.58 -0.14 1.61 2.02 -0.83 -4.35 117.35 116.24 1va4 s TYR 47 Ca 0.00 -0.24 -0.17 0.00 -0.37 0.00 0.00 57.07 56.29 1va4 s TYR 47 Cb 0.00 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 1va4 s TYR 47 CO 0.00 0.50 0.42 0.50 -1.57 0.00 0.00 175.55 175.40 1va4 s ARG 48 N -2.73 4.29 -0.05 -0.62 3.52 -0.59 -3.75 118.95 119.03 1va4 s ARG 48 Ca 0.24 0.32 0.06 0.00 -0.13 0.00 0.00 55.73 56.21 1va4 s ARG 48 Cb -0.09 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 1va4 s ARG 48 CO 0.14 0.14 -0.22 0.95 -0.81 0.00 0.00 175.30 175.51 1va4 s THR 49 N 0.71 2.40 -0.04 4.11 -4.23 0.68 -0.29 115.64 118.97 1va4 s THR 49 Ca 0.23 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.80 1va4 s THR 49 Cb -0.14 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.81 1va4 s THR 49 CO 0.08 0.57 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.02 1va4 s ILE 50 N -0.40 0.83 -0.07 2.99 1.09 0.22 -0.49 121.20 125.37 1va4 s ILE 50 Ca 0.04 -0.35 -0.04 0.00 -1.10 0.00 0.00 60.65 59.20 1va4 s ILE 50 Cb -0.12 -0.76 0.03 0.00 -1.06 0.00 0.00 42.46 40.55 1va4 s ILE 50 CO 0.02 0.27 0.16 0.00 -0.10 0.00 0.00 174.94 175.29 1va4 s ALA 51 N 0.44 -0.34 0.26 9.38 0.00 -0.81 -0.40 121.76 130.29 1va4 s ALA 51 Ca -0.07 0.63 0.09 0.00 0.00 0.00 0.00 51.96 52.61 1va4 s ALA 51 Cb -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1va4 s ALA 51 CO 0.01 -0.13 0.02 -0.59 0.00 0.00 0.00 175.76 175.07 1va4 s PHE 52 N 0.81 2.75 -0.24 0.00 -0.71 -1.25 -0.82 117.98 118.52 1va4 s PHE 52 Ca -0.06 -0.21 -0.18 0.00 -1.04 0.00 0.00 56.93 55.44 1va4 s PHE 52 Cb -0.08 -1.22 -0.03 0.00 -1.21 0.00 0.00 43.02 40.48 1va4 s PHE 52 CO -0.04 0.61 0.53 -0.51 -1.34 0.00 0.00 175.22 174.46 1va4 s ASP 53 N -3.70 6.49 0.54 1.98 1.01 -0.02 -3.92 116.67 119.05 1va4 s ASP 53 Ca 0.32 0.59 -0.21 0.00 0.71 0.00 0.00 52.55 53.96 1va4 s ASP 53 Cb -0.07 -2.29 -0.06 0.00 1.01 0.00 0.00 42.92 41.51 1va4 s ASP 53 CO 0.21 -0.26 1.10 -1.14 0.21 0.00 0.00 175.17 175.29 1va4 n ARG 54 N 5.31 1.28 -1.60 8.23 0.63 -1.26 -4.34 116.66 124.91 1va4 n ARG 54 Ca -0.04 0.47 -0.48 0.00 -0.92 0.00 0.00 57.85 56.89 1va4 n ARG 54 Cb 0.50 -2.27 -0.04 0.00 0.45 0.00 0.00 32.46 31.11 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 -0.70 1.39 -0.31 -0.14 1.85 -1.26 -0.74 116.66 116.76 1va4 n ARG 55 Ca 0.11 0.50 0.00 0.00 -1.00 0.00 0.00 57.85 57.46 1va4 n ARG 55 Cb 0.44 -2.03 0.00 0.00 -1.05 0.00 0.00 32.46 29.83 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 2.01 1.02 3.28 2.89 0.00 -0.36 -4.96 105.19 109.06 1va4 n GLY 56 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.79 1.55 0.00 1.61 0.40 0.08 -0.45 117.98 118.38 1va4 s PHE 57 Ca 0.00 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 1va4 s PHE 57 Cb 0.00 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.74 1va4 s PHE 57 CO 0.00 0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.55 1va4 n GLY 58 N 0.34 3.40 0.83 4.36 0.00 -1.26 -1.90 105.19 110.96 1va4 n GLY 58 Ca -0.14 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 2.10 -2.16 1.61 1.74 -1.26 -4.59 116.66 128.09 1va4 n ARG 59 Ca 0.00 -1.65 -0.32 0.00 -0.77 0.00 0.00 57.85 55.11 1va4 n ARG 59 Cb 0.00 -1.45 -0.01 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 -1.59 6.39 0.97 0.55 0.01 -0.80 -4.58 113.70 114.66 1va4 s SER 60 Ca 0.35 1.54 -0.11 0.00 1.31 0.00 0.00 55.95 59.03 1va4 s SER 60 Cb 0.20 -2.50 0.16 0.00 0.21 0.00 0.00 66.02 64.09 1va4 s SER 60 CO 0.29 -0.75 1.02 0.47 0.41 0.00 0.00 173.24 174.68 1va4 n ASP 61 N -2.07 -0.33 -3.83 2.44 10.43 -0.01 -4.53 116.55 118.66 1va4 n ASP 61 Ca 0.07 0.30 -0.29 0.00 2.57 0.00 0.00 54.79 57.43 1va4 n ASP 61 Cb 0.54 -1.40 -0.10 0.00 1.84 0.00 0.00 41.12 41.99 1va4 n ASP 61 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1va4 n GLN 62 N -4.07 2.14 -2.11 -1.24 6.02 -1.26 -1.22 117.38 115.64 1va4 n GLN 62 Ca 0.10 -4.54 -0.38 0.00 -0.01 0.00 0.00 57.00 52.17 1va4 n GLN 62 Cb 0.53 -2.30 -0.00 0.00 1.02 0.00 0.00 30.24 29.48 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 -1.71 3.76 0.23 -1.09 0.04 -1.26 -4.94 135.00 130.03 1va4 s PRO 63 Ca 0.29 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 1va4 s PRO 63 Cb -0.00 -2.54 0.24 0.00 0.04 0.00 0.00 34.50 32.24 1va4 s PRO 63 CO -0.13 -0.61 1.69 2.35 0.04 0.00 0.00 177.00 180.34 1va4 h TRP 64 N 2.25 0.88 -1.67 0.56 2.91 -2.01 -3.45 115.95 115.42 1va4 h TRP 64 Ca -0.50 -0.16 -0.50 0.00 1.13 0.00 0.00 58.89 58.86 1va4 h TRP 64 Cb 1.25 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 29.64 1va4 h TRP 64 CO 0.52 0.87 -0.42 0.95 -1.03 0.00 0.00 178.44 179.33 1va4 s THR 65 N -4.80 2.98 -0.26 2.65 -4.23 -1.26 -4.70 115.64 106.02 1va4 s THR 65 Ca -0.09 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1va4 s THR 65 Cb 0.14 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1va4 s THR 65 CO 0.83 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 1va4 n GLY 66 N -1.44 0.58 2.75 3.99 0.00 -1.26 -4.95 105.19 104.86 1va4 n GLY 66 Ca 0.01 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 1.07 5.28 -3.93 1.61 3.02 -1.26 -4.52 115.26 116.52 1va4 n ASN 67 Ca -0.02 -3.01 -0.10 0.00 -0.03 0.00 0.00 54.58 51.42 1va4 n ASN 67 Cb 0.10 -1.52 -0.07 0.00 -0.61 0.00 0.00 39.78 37.68 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 1.52 0.01 0.22 6.41 1.47 -1.26 -4.59 116.67 120.46 1va4 s ASP 68 Ca 0.45 -0.82 -0.05 0.00 1.18 0.00 0.00 52.55 53.31 1va4 s ASP 68 Cb 0.12 0.45 0.21 0.00 -0.34 0.00 0.00 42.92 43.36 1va4 s ASP 68 CO -0.04 -0.91 1.70 1.88 0.68 0.00 0.00 175.17 178.49 1va4 h TYR 69 N 2.51 0.99 -0.72 2.11 0.05 -1.93 0.49 116.97 120.47 1va4 h TYR 69 Ca -0.31 -0.16 0.01 0.00 0.05 0.00 0.00 58.73 58.32 1va4 h TYR 69 Cb 1.23 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.67 1va4 h TYR 69 CO 0.39 0.90 0.48 -0.44 -1.05 0.00 0.00 178.16 178.43 1va4 h ASP 70 N 0.84 0.82 -0.39 3.88 3.32 -1.97 0.94 116.42 123.87 1va4 h ASP 70 Ca 0.15 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1va4 h ASP 70 Cb 0.52 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1va4 h ASP 70 CO 0.03 0.59 -0.09 0.74 -1.72 0.00 0.00 179.24 178.79 1va4 h THR 71 N 0.97 1.28 -0.89 0.35 2.02 -1.69 -1.43 112.91 113.51 1va4 h THR 71 Ca 0.27 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.32 1va4 h THR 71 Cb -0.10 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 1va4 h THR 71 CO -0.06 0.39 0.57 -0.26 0.37 0.00 0.00 175.52 176.52 1va4 h PHE 72 N 0.55 1.05 -0.74 3.16 0.04 -0.54 0.71 116.94 121.18 1va4 h PHE 72 Ca 0.10 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 1va4 h PHE 72 Cb 0.61 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 1va4 h PHE 72 CO 0.05 0.57 0.30 0.00 -0.60 0.00 0.00 178.31 178.63 1va4 h ALA 73 N 1.39 0.97 -0.04 2.45 0.00 -0.66 -2.37 119.26 121.00 1va4 h ALA 73 Ca 0.37 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1va4 h ALA 73 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1va4 h ALA 73 CO -0.15 0.59 -0.65 -0.44 0.00 0.00 0.00 179.25 178.60 1va4 h ASP 74 N 1.07 0.21 -0.42 0.00 3.32 -0.09 -1.65 116.42 118.86 1va4 h ASP 74 Ca 0.25 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1va4 h ASP 74 Cb 0.21 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1va4 h ASP 74 CO -0.02 0.80 0.20 0.44 -1.72 0.00 0.00 179.24 178.94 1va4 h ASP 75 N 0.13 0.28 -0.72 6.45 3.32 -0.73 -0.73 116.42 124.43 1va4 h ASP 75 Ca -0.01 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1va4 h ASP 75 Cb 1.17 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1va4 h ASP 75 CO 0.10 0.21 0.25 0.40 -1.72 0.00 0.00 179.24 178.48 1va4 h ILE 76 N 0.41 1.25 -0.58 0.35 2.04 -1.14 -1.55 117.51 118.29 1va4 h ILE 76 Ca 0.18 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.26 1va4 h ILE 76 Cb 0.10 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1va4 h ILE 76 CO -0.14 0.33 0.28 0.00 0.00 0.00 0.00 178.15 178.63 1va4 h ALA 77 N 1.12 0.76 -0.54 1.87 0.00 -0.90 -0.93 119.26 120.64 1va4 h ALA 77 Ca 0.24 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1va4 h ALA 77 Cb 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1va4 h ALA 77 CO -0.01 -0.08 0.12 1.96 0.00 0.00 0.00 179.25 181.24 1va4 h GLN 78 N 0.52 0.87 -0.74 0.00 4.20 -0.69 -1.34 115.11 117.94 1va4 h GLN 78 Ca 0.27 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1va4 h GLN 78 Cb 0.22 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 1va4 h GLN 78 CO -0.21 0.83 0.46 1.25 -0.67 0.00 0.00 178.83 180.49 1va4 h LEU 79 N 0.77 0.87 -0.22 1.46 5.85 -0.76 0.17 115.31 123.45 1va4 h LEU 79 Ca 0.17 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1va4 h LEU 79 Cb 0.35 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1va4 h LEU 79 CO 0.00 0.66 -0.10 0.40 -0.34 0.00 0.00 178.44 179.07 1va4 h ILE 80 N 1.00 1.30 -0.38 4.05 2.04 -0.88 -2.31 117.51 122.34 1va4 h ILE 80 Ca 0.27 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1va4 h ILE 80 Cb -0.06 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1va4 h ILE 80 CO -0.05 0.35 0.05 -0.33 0.00 0.00 0.00 178.15 178.17 1va4 h GLU 81 N 0.16 0.64 -0.69 2.37 5.08 -1.11 -0.34 114.58 120.70 1va4 h GLU 81 Ca 0.05 -0.18 0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1va4 h GLU 81 Cb 0.59 -0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.63 1va4 h GLU 81 CO 0.03 0.70 -0.22 1.25 -1.00 0.00 0.00 179.01 179.77 1va4 h HIS 82 N 0.48 -0.53 -0.01 4.33 2.76 -0.64 -0.63 115.15 120.92 1va4 h HIS 82 Ca 0.11 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1va4 h HIS 82 Cb 0.38 0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.68 1va4 h HIS 82 CO 0.03 -0.33 -0.12 1.28 -1.30 0.00 0.00 177.93 177.49 1va4 n LEU 83 N -5.47 0.96 -3.89 0.26 4.77 -0.87 -4.96 117.00 107.80 1va4 n LEU 83 Ca 0.08 -0.25 -0.26 0.00 -0.03 0.00 0.00 56.01 55.55 1va4 n LEU 83 Cb 0.36 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1va4 n LEU 83 CO 0.01 0.17 -0.11 -0.67 -1.33 0.00 0.00 177.39 175.46 1va4 n ASP 84 N -0.49 -1.56 -4.78 -1.43 2.03 -0.24 -4.94 116.55 105.14 1va4 n ASP 84 Ca 0.16 -0.91 -0.36 0.00 0.52 0.00 0.00 54.79 54.20 1va4 n ASP 84 Cb 0.31 -3.50 -0.03 0.00 -0.72 0.00 0.00 41.12 37.18 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 -6.94 4.09 0.03 -2.67 1.43 -0.46 -5.02 118.68 109.14 1va4 s LEU 85 Ca 0.17 2.08 -0.00 0.00 -1.03 0.00 0.00 54.13 55.35 1va4 s LEU 85 Cb -0.09 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.88 1va4 s LEU 85 CO 0.86 -0.59 -0.03 -0.54 0.23 0.00 0.00 176.35 176.28 1va4 s LYS 86 N -2.59 0.37 -1.48 1.70 1.02 -1.26 -4.83 119.74 112.67 1va4 s LYS 86 Ca 0.59 -0.71 -0.06 0.00 0.02 0.00 0.00 55.97 55.82 1va4 s LYS 86 Cb -0.23 0.10 0.04 0.00 -0.52 0.00 0.00 37.83 37.23 1va4 s LYS 86 CO 0.28 -0.05 0.57 0.39 -0.92 0.00 0.00 175.35 175.62 1va4 n GLU 87 N 1.37 -3.58 -2.68 1.68 -0.58 -0.82 -4.52 120.64 111.51 1va4 n GLU 87 Ca -0.22 0.43 -0.40 0.00 -0.42 0.00 0.00 57.16 56.54 1va4 n GLU 87 Cb 0.56 -4.79 -0.05 0.00 -0.57 0.00 0.00 31.44 26.59 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 -3.73 4.04 -0.34 2.62 0.11 0.14 -4.22 120.40 119.02 1va4 s VAL 88 Ca 0.23 1.94 -0.16 0.00 -2.93 0.00 0.00 61.98 61.07 1va4 s VAL 88 Cb -0.12 -4.24 -0.01 0.00 -1.53 0.00 0.00 36.38 30.47 1va4 s VAL 88 CO 0.89 0.42 0.41 -0.89 -3.33 0.00 0.00 175.10 172.60 1va4 s THR 89 N -0.84 5.12 -0.04 5.04 2.01 -0.54 -0.17 115.64 126.21 1va4 s THR 89 Ca 0.44 0.20 -0.22 0.00 0.31 0.00 0.00 61.69 62.42 1va4 s THR 89 Cb -0.27 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1va4 s THR 89 CO 0.33 -0.11 0.65 -0.76 -0.69 0.00 0.00 174.62 174.05 1va4 s LEU 90 N 2.15 4.36 -0.18 4.42 1.43 -0.38 -1.40 118.68 129.09 1va4 s LEU 90 Ca 0.14 1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 54.41 1va4 s LEU 90 Cb -0.16 -3.01 0.04 0.00 0.03 0.00 0.00 46.19 43.10 1va4 s LEU 90 CO 0.12 -0.02 -0.05 -0.69 0.23 0.00 0.00 176.35 175.94 1va4 s VAL 91 N 0.37 1.15 -0.07 -1.59 1.01 0.04 -0.35 120.40 120.97 1va4 s VAL 91 Ca 0.34 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1va4 s VAL 91 Cb -0.18 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1va4 s VAL 91 CO 0.17 0.08 -0.24 -0.83 0.00 0.00 0.00 175.10 174.29 1va4 s GLY 92 N 1.61 1.25 -0.14 4.51 0.00 -0.36 -0.69 107.32 113.49 1va4 s GLY 92 Ca -0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 43.71 1va4 s GLY 92 CO -0.08 -0.51 -0.01 -0.12 0.00 0.00 0.00 173.10 172.38 1va4 s PHE 93 N 0.01 3.10 0.00 1.90 5.36 -0.51 -0.77 117.98 127.06 1va4 s PHE 93 Ca -0.08 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1va4 s PHE 93 Cb -0.15 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.59 1va4 s PHE 93 CO 0.05 0.12 0.00 0.45 -1.46 0.00 0.00 175.22 174.38 1va4 n SER 94 N 3.21 0.00 0.30 6.13 2.88 0.06 -0.44 113.62 125.76 1va4 n SER 94 Ca -0.17 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.54 1va4 n SER 94 Cb 0.53 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 64.92 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 -0.84 114.93 110.79 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 0.04 0.00 0.41 -0.00 0.00 0.00 176.91 177.36 1va4 n GLY 96 N -0.91 -1.27 0.27 -3.00 0.00 0.42 -1.65 105.19 99.05 1va4 n GLY 96 Ca -0.02 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 3.09 0.37 1.51 -0.02 0.00 -1.21 -3.22 103.07 103.60 1va4 h GLY 97 Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 47.33 46.97 1va4 h GLY 97 CO 0.00 0.17 -0.67 -1.33 0.00 0.00 0.00 176.54 174.71 1va4 h GLY 98 N 0.58 0.55 2.00 4.60 0.00 -1.47 -2.48 103.07 106.84 1va4 h GLY 98 Ca 0.08 -0.72 -0.17 0.00 0.00 0.00 0.00 47.33 46.52 1va4 h GLY 98 CO -0.00 0.64 -0.82 1.29 0.00 0.00 0.00 176.54 177.65 1va4 h ASP 99 N 0.35 0.00 -0.16 0.19 3.04 -1.62 -0.39 116.42 117.83 1va4 h ASP 99 Ca -0.02 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.64 1va4 h ASP 99 Cb 1.24 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.52 1va4 h ASP 99 CO 0.12 0.82 -0.35 -0.37 -2.04 0.00 0.00 179.24 177.42 1va4 h VAL 100 N 0.00 1.29 -0.30 4.15 -1.51 -1.62 -0.59 116.25 117.67 1va4 h VAL 100 Ca -0.01 -1.50 -0.07 0.00 -1.23 0.00 0.00 66.70 63.90 1va4 h VAL 100 Cb 1.59 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 32.18 1va4 h VAL 100 CO 0.11 0.48 -0.07 0.00 -1.23 0.00 0.00 177.57 176.86 1va4 h ALA 101 N 1.05 0.41 -0.37 5.19 0.00 -1.41 -2.63 119.26 121.50 1va4 h ALA 101 Ca 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1va4 h ALA 101 Cb 0.87 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1va4 h ALA 101 CO 0.07 0.24 0.11 -0.09 0.00 0.00 0.00 179.25 179.58 1va4 h ARG 102 N 0.34 0.54 0.05 0.00 9.65 -1.09 -0.78 114.38 123.10 1va4 h ARG 102 Ca 0.08 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1va4 h ARG 102 Cb 0.56 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 1va4 h ARG 102 CO 0.03 0.49 -0.11 -0.92 2.80 0.00 0.00 179.97 182.25 1va4 h TYR 103 N 0.53 -0.28 -0.64 2.20 3.20 -0.97 -0.27 116.97 120.74 1va4 h TYR 103 Ca 0.13 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1va4 h TYR 103 Cb 0.18 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1va4 h TYR 103 CO 0.01 -0.17 0.42 0.82 -1.64 0.00 0.00 178.16 177.60 1va4 h ILE 104 N -0.22 1.15 -0.85 1.81 2.04 -1.13 0.15 117.51 120.46 1va4 h ILE 104 Ca 0.02 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1va4 h ILE 104 Cb 0.24 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1va4 h ILE 104 CO -0.07 0.16 0.54 0.00 0.00 0.00 0.00 178.15 178.78 1va4 h ALA 105 N 1.24 1.08 0.12 1.87 0.00 -0.92 0.19 119.26 122.84 1va4 h ALA 105 Ca 0.24 -0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.78 1va4 h ALA 105 Cb -0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.36 1va4 h ALA 105 CO -0.06 0.51 -1.40 0.00 0.00 0.00 0.00 179.25 178.30 1va4 h ARG 106 N 1.16 0.26 -0.00 0.00 3.08 -0.89 -3.39 114.38 114.59 1va4 h ARG 106 Ca 0.31 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1va4 h ARG 106 Cb -0.10 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1va4 h ARG 106 CO -0.06 1.16 -0.33 0.72 -1.07 0.00 0.00 179.97 180.39 1va4 n HIS 107 N -3.48 0.00 -0.35 3.04 8.25 0.50 -5.10 115.22 118.07 1va4 n HIS 107 Ca -0.13 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.38 1va4 n HIS 107 Cb 1.04 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.13 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 1.11 -1.56 0.96 -1.41 0.00 0.67 -4.73 105.19 100.24 1va4 n GLY 108 Ca 0.02 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.02 3.85 0.01 1.61 3.41 -1.26 -4.54 113.62 114.68 1va4 n SER 109 Ca 0.00 -2.69 0.09 0.00 -0.26 0.00 0.00 58.87 56.01 1va4 n SER 109 Cb 0.16 -0.48 0.51 0.00 -0.26 0.00 0.00 64.21 64.15 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 2.22 1.95 -0.35 7.33 0.00 -1.98 -1.04 119.26 127.39 1va4 h ALA 110 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1va4 h ALA 110 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1va4 h ALA 110 CO 0.18 -0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.95 1va4 n ARG 111 N -4.48 2.16 -4.68 0.00 1.74 -1.26 -4.75 116.66 105.40 1va4 n ARG 111 Ca 0.05 -1.76 -0.33 0.00 -0.77 0.00 0.00 57.85 55.04 1va4 n ARG 111 Cb 0.23 -1.44 -0.15 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.55 2.79 -0.14 1.55 1.01 -0.40 -0.69 120.40 122.97 1va4 s VAL 112 Ca 0.35 -0.74 0.21 0.00 0.00 0.00 0.00 61.98 61.80 1va4 s VAL 112 Cb 0.20 -2.17 -0.16 0.00 0.00 0.00 0.00 36.38 34.25 1va4 s VAL 112 CO 0.28 0.52 0.74 0.00 0.00 0.00 0.00 175.10 176.63 1va4 n ALA 113 N 3.81 2.42 -3.61 5.51 0.00 0.75 -4.78 120.51 124.62 1va4 n ALA 113 Ca -0.19 -0.47 -0.04 0.00 0.00 0.00 0.00 53.44 52.74 1va4 n ALA 113 Cb 0.52 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 -4.59 -0.22 -0.01 0.00 0.00 -1.21 -4.30 107.32 96.99 1va4 s GLY 114 Ca -0.04 1.87 0.02 0.00 0.00 0.00 0.00 44.72 46.57 1va4 s GLY 114 CO 0.84 0.68 -0.06 -2.27 0.00 0.00 0.00 173.10 172.29 1va4 s LEU 115 N -1.89 1.82 -0.09 0.66 2.96 0.17 -1.25 118.68 121.06 1va4 s LEU 115 Ca 0.09 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1va4 s LEU 115 Cb -0.01 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.35 1va4 s LEU 115 CO -0.04 0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.20 1va4 s VAL 116 N 0.14 1.27 -0.29 1.68 1.01 0.53 -0.70 120.40 124.04 1va4 s VAL 116 Ca -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1va4 s VAL 116 Cb -0.06 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 35.20 1va4 s VAL 116 CO -0.00 0.39 -0.01 -0.76 0.00 0.00 0.00 175.10 174.71 1va4 s LEU 117 N 0.87 3.76 -0.28 3.92 1.43 0.09 -1.22 118.68 127.25 1va4 s LEU 117 Ca -0.10 -1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 51.72 1va4 s LEU 117 Cb -0.15 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 1va4 s LEU 117 CO 0.01 -0.24 0.07 -0.76 0.23 0.00 0.00 176.35 175.66 1va4 s LEU 118 N 1.26 3.67 -1.41 1.79 1.43 0.05 -1.05 118.68 124.40 1va4 s LEU 118 Ca -0.05 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.45 1va4 s LEU 118 Cb -0.19 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.17 1va4 s LEU 118 CO -0.02 -0.14 0.31 0.61 0.23 0.00 0.00 176.35 177.34 1va4 n GLY 119 N 4.87 -0.50 3.83 -3.19 0.00 -0.24 -0.76 105.19 109.19 1va4 n GLY 119 Ca -0.15 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.95 3.24 -0.52 4.61 0.00 -1.26 -3.00 121.76 121.87 1va4 s ALA 120 Ca 0.19 0.21 0.21 0.00 0.00 0.00 0.00 51.96 52.57 1va4 s ALA 120 Cb -0.09 -2.93 0.93 0.00 0.00 0.00 0.00 23.12 21.03 1va4 s ALA 120 CO 0.23 0.26 1.65 1.33 0.00 0.00 0.00 175.76 179.22 1va4 n VAL 121 N -0.21 0.93 -2.07 0.00 0.24 -1.02 -4.24 118.33 111.95 1va4 n VAL 121 Ca 0.04 0.32 -0.37 0.00 -2.04 0.00 0.00 64.34 62.29 1va4 n VAL 121 Cb 0.53 -1.24 0.02 0.00 -1.47 0.00 0.00 33.84 31.67 1va4 n VAL 121 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1va4 s THR 122 N -3.30 2.73 -0.95 3.34 -1.32 -1.26 -2.49 115.64 112.38 1va4 s THR 122 Ca 0.03 0.49 0.26 0.00 -1.21 0.00 0.00 61.69 61.26 1va4 s THR 122 Cb 0.08 -3.22 0.05 0.00 -1.51 0.00 0.00 72.50 67.91 1va4 s THR 122 CO 0.33 -0.06 1.50 -0.81 -2.21 0.00 0.00 174.62 173.37 1va4 n PRO 123 N -1.17 0.04 -3.56 7.08 -0.04 -1.26 -3.58 135.00 132.51 1va4 n PRO 123 Ca 0.11 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1va4 n PRO 123 Cb 0.49 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1va4 n PRO 123 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1va4 s LEU 124 N -3.17 -0.35 0.02 1.53 2.34 -1.04 -0.27 118.68 117.75 1va4 s LEU 124 Ca 0.11 0.25 -0.05 0.00 0.06 0.00 0.00 54.13 54.50 1va4 s LEU 124 Cb 0.17 1.86 -0.02 0.00 -0.56 0.00 0.00 46.19 47.65 1va4 s LEU 124 CO 0.67 -0.41 -0.09 0.33 -1.06 0.00 0.00 176.35 175.79 1va4 n PHE 125 N 0.37 0.00 -1.75 3.48 -0.00 -1.23 -4.66 117.46 113.68 1va4 n PHE 125 Ca -0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.05 1va4 n PHE 125 Cb 0.59 -0.13 0.03 0.00 -0.00 0.00 0.00 39.48 39.97 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 -4.28 1.80 0.46 7.13 0.00 -1.02 -0.95 107.32 110.46 1va4 s GLY 126 Ca -0.08 0.15 -0.24 0.00 0.00 0.00 0.00 44.72 44.56 1va4 s GLY 126 CO 0.11 0.46 1.31 -1.06 0.00 0.00 0.00 173.10 173.92 1va4 n GLN 127 N -2.76 1.90 -4.29 2.90 6.02 -0.04 -4.43 117.38 116.68 1va4 n GLN 127 Ca 0.08 0.68 -0.16 0.00 -0.01 0.00 0.00 57.00 57.59 1va4 n GLN 127 Cb 0.53 -2.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.22 1va4 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1va4 s LYS 128 N -2.43 1.22 0.30 -1.09 -0.14 -1.11 -4.87 119.74 111.62 1va4 s LYS 128 Ca 0.64 -1.59 0.04 0.00 -1.36 0.00 0.00 55.97 53.70 1va4 s LYS 128 Cb -0.47 -0.55 0.65 0.00 -1.68 0.00 0.00 37.83 35.78 1va4 s LYS 128 CO 0.55 -0.06 1.82 -1.35 -0.76 0.00 0.00 175.35 175.55 1va4 h PRO 129 N 2.59 0.86 -0.28 -1.68 0.11 -2.02 0.20 132.00 131.79 1va4 h PRO 129 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1va4 h PRO 129 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1va4 h PRO 129 CO 0.64 0.57 0.00 -0.40 -0.21 0.00 0.00 178.00 178.60 1va4 n ASP 130 N -4.66 1.65 -3.12 -2.05 5.75 -1.26 -4.38 116.55 108.47 1va4 n ASP 130 Ca 0.20 -1.93 -0.18 0.00 -0.01 0.00 0.00 54.79 52.88 1va4 n ASP 130 Cb 0.44 -0.19 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 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 0.38 0.54 0.29 2.11 9.36 0.70 -4.92 117.16 125.62 1va4 n TYR 131 Ca 0.12 -3.73 0.16 0.00 3.32 0.00 0.00 57.90 57.77 1va4 n TYR 131 Cb 0.27 -0.42 0.76 0.00 -0.63 0.00 0.00 39.34 39.33 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 -1.75 -1.37 132.00 134.99 1va4 h PRO 132 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1va4 h PRO 132 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 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 -2.66 0.06 -0.80 0.86 0.00 -1.26 -4.81 117.38 108.77 1va4 n GLN 133 Ca -0.01 0.22 -0.29 0.00 0.00 0.00 0.00 57.00 56.92 1va4 n GLN 133 Cb 0.15 -1.59 0.24 0.00 0.00 0.00 0.00 30.24 29.04 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 -3.15 1.52 -0.04 2.61 0.00 -0.53 -4.94 107.32 102.79 1va4 s GLY 134 Ca 0.08 -0.61 -0.29 0.00 0.00 0.00 0.00 44.72 43.91 1va4 s GLY 134 CO 0.38 0.22 0.94 0.14 0.00 0.00 0.00 173.10 174.78 1va4 s VAL 135 N -2.69 4.87 0.30 1.40 1.01 -0.12 -4.36 120.40 120.81 1va4 s VAL 135 Ca 0.69 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 64.33 1va4 s VAL 135 Cb -0.16 -4.28 -0.13 0.00 0.00 0.00 0.00 36.38 31.82 1va4 s VAL 135 CO 0.59 0.13 1.35 -2.65 0.00 0.00 0.00 175.10 174.52 1va4 n PRO 136 N 4.22 2.14 0.28 2.72 -0.02 -1.26 -0.86 135.00 142.22 1va4 n PRO 136 Ca 0.06 0.76 0.12 0.00 -2.02 0.00 0.00 63.50 62.41 1va4 n PRO 136 Cb 0.50 -2.38 0.79 0.00 -0.02 0.00 0.00 33.50 32.39 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 3.29 0.00 -2.12 2.45 3.38 -1.94 -1.66 115.31 118.72 1va4 h LEU 137 Ca -0.46 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.58 1va4 h LEU 137 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1va4 h LEU 137 CO 0.68 0.02 0.21 0.44 0.09 0.00 0.00 178.44 179.88 1va4 h ASP 138 N 0.00 0.00 -0.33 -0.43 5.19 -1.99 0.62 116.42 119.48 1va4 h ASP 138 Ca -0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1va4 h ASP 138 Cb 0.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1va4 h ASP 138 CO 0.00 0.00 0.04 0.58 -3.12 0.00 0.00 179.24 176.74 1va4 h VAL 139 N 0.00 1.24 -0.01 -1.35 2.07 -1.65 -1.77 116.25 114.78 1va4 h VAL 139 Ca 0.11 -0.85 -0.16 0.00 0.82 0.00 0.00 66.70 66.62 1va4 h VAL 139 Cb 0.53 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1va4 h VAL 139 CO -0.00 0.28 -0.74 -0.26 0.02 0.00 0.00 177.57 176.87 1va4 h PHE 140 N 0.37 0.09 -0.89 1.57 0.04 -1.29 -2.12 116.94 114.71 1va4 h PHE 140 Ca 0.10 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.85 1va4 h PHE 140 Cb 0.37 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.46 1va4 h PHE 140 CO 0.03 0.78 0.59 0.00 -0.60 0.00 0.00 178.31 179.11 1va4 h ALA 141 N 1.20 1.40 -0.18 2.45 0.00 -0.80 -1.81 119.26 121.52 1va4 h ALA 141 Ca -0.01 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1va4 h ALA 141 Cb 1.31 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1va4 h ALA 141 CO 0.10 0.53 -0.64 0.00 0.00 0.00 0.00 179.25 179.24 1va4 h ARG 142 N 1.16 0.66 -0.46 0.00 2.47 -0.99 -1.18 114.38 116.05 1va4 h ARG 142 Ca 0.34 -0.47 0.09 0.00 -1.26 0.00 0.00 59.98 58.69 1va4 h ARG 142 Cb -0.06 0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 28.25 1va4 h ARG 142 CO -0.09 1.09 -0.15 0.74 0.56 0.00 0.00 179.97 182.12 1va4 h PHE 143 N 0.48 -0.34 -0.31 3.04 -1.00 -1.03 -1.60 116.94 116.18 1va4 h PHE 143 Ca -0.01 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1va4 h PHE 143 Cb 1.23 0.22 -0.01 0.00 3.61 0.00 0.00 35.95 41.00 1va4 h PHE 143 CO 0.06 -0.23 0.13 0.87 -1.61 0.00 0.00 178.31 177.52 1va4 h LYS 144 N -0.04 0.47 -0.71 1.51 1.57 -1.03 0.61 116.57 118.94 1va4 h LYS 144 Ca 0.22 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1va4 h LYS 144 Cb 0.38 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1va4 h LYS 144 CO -0.49 0.48 0.40 1.15 -0.57 0.00 0.00 179.45 180.42 1va4 h THR 145 N 0.36 0.96 -0.28 -0.16 2.02 -1.02 -0.94 112.91 113.85 1va4 h THR 145 Ca 0.10 -0.25 -0.16 0.00 0.77 0.00 0.00 66.41 66.87 1va4 h THR 145 Cb 0.18 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1va4 h THR 145 CO -0.01 0.13 -0.46 -0.33 0.37 0.00 0.00 175.52 175.22 1va4 h GLU 146 N 0.73 0.74 -0.35 6.66 5.08 -0.77 -3.09 114.58 123.58 1va4 h GLU 146 Ca 0.32 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1va4 h GLU 146 Cb 0.21 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1va4 h GLU 146 CO -0.19 1.04 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.61 1va4 h LEU 147 N 0.59 0.64 0.00 1.33 3.38 -0.55 -1.16 115.31 119.53 1va4 h LEU 147 Ca 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1va4 h LEU 147 Cb 1.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1va4 h LEU 147 CO 0.10 0.82 0.00 0.18 0.09 0.00 0.00 178.44 179.63 1va4 n LEU 148 N -4.15 0.00 -0.10 1.67 4.77 -0.39 -2.95 117.00 115.86 1va4 n LEU 148 Ca 0.00 0.16 -0.22 0.00 -0.03 0.00 0.00 56.01 55.93 1va4 n LEU 148 Cb 0.38 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 1va4 n LEU 148 CO 0.42 -0.04 -1.22 0.29 -1.33 0.00 0.00 177.39 175.52 1va4 n LYS 149 N -1.16 0.45 -3.19 3.23 5.02 -0.94 -4.97 118.16 116.59 1va4 n LYS 149 Ca 0.14 0.19 -0.07 0.00 -2.02 0.00 0.00 58.31 56.55 1va4 n LYS 149 Cb 0.14 -1.25 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 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 -6.82 -0.54 0.28 4.39 -1.08 -0.48 -5.01 116.67 107.40 1va4 s ASP 150 Ca -0.29 -1.31 0.08 0.00 -0.52 0.00 0.00 52.55 50.51 1va4 s ASP 150 Cb 0.11 1.40 0.40 0.00 -1.46 0.00 0.00 42.92 43.37 1va4 s ASP 150 CO 0.37 -0.18 1.65 0.08 0.52 0.00 0.00 175.17 177.61 1va4 h ARG 151 N 6.61 0.13 -0.27 4.34 0.11 -1.71 -2.46 114.38 121.13 1va4 h ARG 151 Ca 0.06 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1va4 h ARG 151 Cb 1.12 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 1va4 h ARG 151 CO 0.13 0.63 0.18 0.00 0.10 0.00 0.00 179.97 181.00 1va4 h ALA 152 N 1.36 0.35 -0.02 0.08 0.00 -1.94 -0.24 119.26 118.84 1va4 h ALA 152 Ca -0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1va4 h ALA 152 Cb 0.98 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1va4 h ALA 152 CO 0.08 -0.17 -0.68 0.37 0.00 0.00 0.00 179.25 178.84 1va4 h GLN 153 N 0.36 0.10 -0.14 0.00 5.75 -1.96 -2.48 115.11 116.74 1va4 h GLN 153 Ca 0.10 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1va4 h GLN 153 Cb -0.02 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1va4 h GLN 153 CO -0.02 0.74 0.05 0.35 -2.65 0.00 0.00 178.83 177.30 1va4 h PHE 154 N 0.07 0.10 -0.59 3.99 3.57 -1.00 -0.23 116.94 122.84 1va4 h PHE 154 Ca -0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1va4 h PHE 154 Cb 1.21 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 1va4 h PHE 154 CO 0.01 0.05 0.36 0.82 -2.23 0.00 0.00 178.31 177.33 1va4 h ILE 155 N 0.12 1.07 -0.37 1.41 2.04 -0.92 -0.39 117.51 120.48 1va4 h ILE 155 Ca 0.06 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1va4 h ILE 155 Cb 0.03 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1va4 h ILE 155 CO -0.06 0.13 0.17 -1.28 0.00 0.00 0.00 178.15 177.11 1va4 h SER 156 N 0.72 0.48 -0.12 1.72 0.87 -1.12 -2.44 113.55 113.66 1va4 h SER 156 Ca 0.24 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1va4 h SER 156 Cb 0.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1va4 h SER 156 CO -0.10 0.49 0.02 0.44 -0.53 0.00 0.00 176.83 177.15 1va4 h ASP 157 N 0.45 0.26 0.64 6.23 3.32 -0.77 -2.74 116.42 123.82 1va4 h ASP 157 Ca 0.12 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1va4 h ASP 157 Cb 0.14 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1va4 h ASP 157 CO -0.01 0.30 -0.25 0.15 -1.72 0.00 0.00 179.24 177.71 1va4 h PHE 158 N 0.29 0.00 -0.75 4.55 3.04 -0.58 -3.19 116.94 120.29 1va4 h PHE 158 Ca 0.07 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.15 1va4 h PHE 158 Cb 0.17 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 38.59 1va4 h PHE 158 CO 0.00 0.25 0.34 -0.91 -2.02 0.00 0.00 178.31 175.97 1va4 h ASN 159 N 0.00 0.38 0.87 0.41 2.35 -1.33 -1.18 115.58 117.07 1va4 h ASN 159 Ca -0.00 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1va4 h ASN 159 Cb 0.64 0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.06 1va4 h ASN 159 CO 0.03 0.17 -0.42 0.00 -1.65 0.00 0.00 177.43 175.57 1va4 h ALA 160 N 1.51 -1.17 0.00 -0.83 0.00 -1.75 -1.30 119.26 115.72 1va4 h ALA 160 Ca 0.40 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1va4 h ALA 160 Cb 0.55 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1va4 h ALA 160 CO -0.35 -1.10 -0.22 -1.00 0.00 0.00 0.00 179.25 176.58 1va4 h PRO 161 N -1.29 0.00 -0.12 0.00 0.13 -1.75 -0.80 132.00 128.17 1va4 h PRO 161 Ca -0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1va4 h PRO 161 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1va4 h PRO 161 CO 0.20 0.22 0.05 0.35 -0.23 0.00 0.00 178.00 178.59 1va4 h PHE 162 N 0.00 0.17 -0.00 1.56 3.57 -1.07 -3.12 116.94 118.05 1va4 h PHE 162 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1va4 h PHE 162 Cb 0.50 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1va4 h PHE 162 CO 0.00 0.25 -0.42 0.66 -2.23 0.00 0.00 178.31 176.57 1va4 n TYR 163 N -4.92 0.00 -1.88 0.41 4.01 -0.50 -0.63 117.16 113.65 1va4 n TYR 163 Ca -0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.58 1va4 n TYR 163 Cb 0.10 -0.20 -0.02 0.00 -0.31 0.00 0.00 39.34 38.92 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 1.44 0.38 0.29 2.72 0.00 -0.35 -4.70 105.19 104.97 1va4 n GLY 164 Ca 0.08 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 1.06 -0.05 -0.61 2.04 -1.62 0.18 117.51 118.51 1va4 h ILE 165 Ca -0.24 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1va4 h ILE 165 Cb 1.01 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1va4 h ILE 165 CO 0.30 0.06 0.00 -0.46 0.00 0.00 0.00 178.15 178.05 1va4 n ASN 166 N -4.50 0.32 -2.68 1.72 6.94 -1.26 -4.40 115.26 111.40 1va4 n ASN 166 Ca 0.01 -1.73 -0.08 0.00 -0.02 0.00 0.00 54.58 52.75 1va4 n ASN 166 Cb 0.08 -0.03 0.06 0.00 -2.36 0.00 0.00 39.78 37.53 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 -0.46 1.16 -0.58 -3.83 4.76 0.55 -4.99 118.16 114.76 1va4 n LYS 167 Ca 0.08 -2.75 0.00 0.00 -2.87 0.00 0.00 58.31 52.77 1va4 n LYS 167 Cb 0.08 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 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 -0.24 0.79 3.82 0.72 0.00 -1.19 -4.97 105.19 104.12 1va4 n GLY 168 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.42 2.98 -0.13 1.61 -1.52 -0.61 -5.04 119.66 116.54 1va4 s GLN 169 Ca 0.00 -0.82 0.01 0.00 -1.95 0.00 0.00 55.36 52.60 1va4 s GLN 169 Cb 0.00 -2.70 0.02 0.00 -0.22 0.00 0.00 33.01 30.11 1va4 s GLN 169 CO 0.00 0.49 -0.15 0.08 -0.25 0.00 0.00 175.29 175.47 1va4 s VAL 170 N -1.74 1.55 -0.01 1.09 1.01 -1.26 -4.28 120.40 116.76 1va4 s VAL 170 Ca 0.31 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1va4 s VAL 170 Cb -0.10 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1va4 s VAL 170 CO 0.24 0.45 -0.05 -0.69 0.00 0.00 0.00 175.10 175.06 1va4 s VAL 171 N 1.29 0.42 0.79 2.92 1.01 -1.26 -4.98 120.40 120.59 1va4 s VAL 171 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1va4 s VAL 171 Cb -0.14 -0.39 0.07 0.00 0.00 0.00 0.00 36.38 35.92 1va4 s VAL 171 CO -0.07 0.14 1.09 -0.94 0.00 0.00 0.00 175.10 175.32 1va4 s SER 172 N 0.18 4.37 0.27 3.32 1.04 -1.26 -4.89 113.70 116.73 1va4 s SER 172 Ca -0.02 1.78 -0.01 0.00 0.48 0.00 0.00 55.95 58.18 1va4 s SER 172 Cb -0.06 -2.48 0.46 0.00 0.10 0.00 0.00 66.02 64.04 1va4 s SER 172 CO -0.00 -2.11 1.86 1.56 0.98 0.00 0.00 173.24 175.53 1va4 h GLN 173 N -1.18 1.07 -0.43 4.02 1.08 -2.01 -2.42 115.11 115.23 1va4 h GLN 173 Ca -0.44 -0.06 0.09 0.00 -1.45 0.00 0.00 58.65 56.78 1va4 h GLN 173 Cb 1.24 -0.24 -0.08 0.00 -0.05 0.00 0.00 27.48 28.34 1va4 h GLN 173 CO 0.52 0.71 -0.13 0.78 -0.95 0.00 0.00 178.83 179.76 1va4 h GLY 174 N 1.10 0.28 1.14 3.46 0.00 -1.99 0.13 103.07 107.18 1va4 h GLY 174 Ca 0.45 0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.83 1va4 h GLY 174 CO -0.21 -0.17 -0.17 -2.08 0.00 0.00 0.00 176.54 173.91 1va4 h VAL 175 N -0.02 1.27 -0.68 4.60 2.07 -1.86 -1.00 116.25 120.63 1va4 h VAL 175 Ca 0.21 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1va4 h VAL 175 Cb 0.34 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1va4 h VAL 175 CO -0.46 0.46 0.24 1.56 0.02 0.00 0.00 177.57 179.40 1va4 h GLN 176 N 0.87 1.04 -0.31 1.57 4.20 -1.11 0.08 115.11 121.44 1va4 h GLN 176 Ca 0.12 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1va4 h GLN 176 Cb 0.74 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1va4 h GLN 176 CO 0.06 0.88 0.17 1.15 -0.67 0.00 0.00 178.83 180.42 1va4 h THR 177 N 0.98 1.13 -0.71 -0.54 2.02 -0.55 -2.31 112.91 112.92 1va4 h THR 177 Ca 0.22 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1va4 h THR 177 Cb 0.25 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1va4 h THR 177 CO -0.01 0.13 0.43 -0.61 0.37 0.00 0.00 175.52 175.83 1va4 h GLN 178 N 0.38 0.97 -0.05 6.66 4.15 -0.97 0.58 115.11 126.83 1va4 h GLN 178 Ca 0.11 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.46 1va4 h GLN 178 Cb 0.06 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1va4 h GLN 178 CO -0.02 0.69 -0.04 1.15 -1.93 0.00 0.00 178.83 178.68 1va4 h THR 179 N 0.97 0.88 -0.63 2.39 2.02 -0.86 -1.13 112.91 116.54 1va4 h THR 179 Ca 0.26 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 1va4 h THR 179 Cb -0.03 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1va4 h THR 179 CO -0.05 0.00 0.39 0.25 0.37 0.00 0.00 175.52 176.49 1va4 h LEU 180 N -0.05 0.75 -0.29 2.58 5.85 -1.21 -1.32 115.31 121.61 1va4 h LEU 180 Ca 0.04 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1va4 h LEU 180 Cb 0.10 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1va4 h LEU 180 CO -0.08 0.58 0.08 -0.61 -0.34 0.00 0.00 178.44 178.07 1va4 h GLN 181 N 0.86 0.19 -0.42 1.25 4.15 -0.58 -1.31 115.11 119.25 1va4 h GLN 181 Ca 0.23 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 1va4 h GLN 181 Cb -0.05 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1va4 h GLN 181 CO -0.04 0.13 -0.00 0.82 -1.93 0.00 0.00 178.83 177.80 1va4 h ILE 182 N 0.20 1.26 -0.22 2.39 2.04 -1.10 -2.87 117.51 119.20 1va4 h ILE 182 Ca 0.13 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1va4 h ILE 182 Cb 0.12 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1va4 h ILE 182 CO -0.16 0.35 0.04 0.00 0.00 0.00 0.00 178.15 178.38 1va4 h ALA 183 N 0.89 1.66 0.00 1.87 0.00 -0.95 -2.43 119.26 120.31 1va4 h ALA 183 Ca 0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1va4 h ALA 183 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1va4 h ALA 183 CO 0.02 0.26 -0.20 -0.07 0.00 0.00 0.00 179.25 179.26 1va4 h LEU 184 N 0.31 0.00 -1.59 0.00 3.38 -1.02 -2.74 115.31 113.66 1va4 h LEU 184 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1va4 h LEU 184 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1va4 h LEU 184 CO -0.00 0.20 0.26 -0.07 0.09 0.00 0.00 178.44 178.92 1va4 h LEU 185 N 0.00 0.46-10.28 1.67 3.38 -1.39 -3.45 115.31 105.70 1va4 h LEU 185 Ca -0.00 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 1va4 h LEU 185 Cb 0.65 -0.12 0.18 0.00 0.09 0.00 0.00 40.66 41.46 1va4 h LEU 185 CO 0.03 0.34 0.25 0.00 0.09 0.00 0.00 178.44 179.15 1va4 s ALA 186 N -5.48 1.70 0.21 1.53 0.00 -1.03 -4.57 121.76 114.11 1va4 s ALA 186 Ca -0.08 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1va4 s ALA 186 Cb 0.17 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 1va4 s ALA 186 CO 0.73 -2.48 1.23 0.45 0.00 0.00 0.00 175.76 175.69 1va4 s SER 187 N -2.84 7.03 0.16 0.00 0.15 0.40 -4.97 113.70 113.63 1va4 s SER 187 Ca 0.66 2.32 -0.15 0.00 0.70 0.00 0.00 55.95 59.47 1va4 s SER 187 Cb -0.21 -2.61 0.09 0.00 -1.71 0.00 0.00 66.02 61.57 1va4 s SER 187 CO 0.57 -0.40 1.76 0.25 1.20 0.00 0.00 173.24 176.62 1va4 h LEU 188 N 4.99 0.20 -0.41 3.45 5.85 -1.95 -1.24 115.31 126.20 1va4 h LEU 188 Ca -0.45 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1va4 h LEU 188 Cb 1.21 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1va4 h LEU 188 CO 0.74 0.15 0.27 0.50 -0.34 0.00 0.00 178.44 179.76 1va4 h LYS 189 N 0.34 0.55 -0.73 1.25 1.63 -1.96 -1.60 116.57 116.04 1va4 h LYS 189 Ca 0.18 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.89 1va4 h LYS 189 Cb 0.14 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 1va4 h LYS 189 CO -0.17 0.38 0.24 0.00 -3.45 0.00 0.00 179.45 176.45 1va4 h ALA 190 N 1.14 0.96 -0.49 5.00 0.00 -1.84 -0.02 119.26 124.00 1va4 h ALA 190 Ca 0.15 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1va4 h ALA 190 Cb -0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 1va4 h ALA 190 CO -0.03 0.64 0.22 1.15 0.00 0.00 0.00 179.25 181.22 1va4 h THR 191 N 1.08 0.91 -0.08 0.00 2.02 -0.95 -0.29 112.91 115.60 1va4 h THR 191 Ca 0.24 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 1va4 h THR 191 Cb 0.29 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1va4 h THR 191 CO -0.01 0.08 -0.20 0.58 0.37 0.00 0.00 175.52 176.34 1va4 h VAL 192 N 0.43 1.42 -0.68 3.16 2.07 -1.03 -3.22 116.25 118.39 1va4 h VAL 192 Ca 0.22 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.25 1va4 h VAL 192 Cb 0.17 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1va4 h VAL 192 CO -0.19 0.43 0.45 0.44 0.02 0.00 0.00 177.57 178.73 1va4 h ASP 193 N -0.21 0.68 -0.85 0.57 3.32 -0.87 -1.81 116.42 117.24 1va4 h ASP 193 Ca -0.00 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1va4 h ASP 193 Cb 0.80 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 1va4 h ASP 193 CO 0.04 0.46 0.56 0.00 -1.72 0.00 0.00 179.24 178.59 1va4 h VAL 195 N 1.11 0.60 -0.45 0.00 2.07 -1.35 0.32 116.25 118.55 1va4 h VAL 195 Ca 0.33 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.94 1va4 h VAL 195 Cb -0.05 0.60 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1va4 h VAL 195 CO -0.08 0.00 -0.20 0.74 0.02 0.00 0.00 177.57 178.05 1va4 h THR 196 N -0.22 0.40 0.25 2.57 2.02 -1.36 0.23 112.91 116.79 1va4 h THR 196 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1va4 h THR 196 Cb 0.33 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1va4 h THR 196 CO -0.20 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.55 1va4 h ALA 197 N 1.22 -0.37 0.00 6.16 0.00 -0.48 -2.36 119.26 123.43 1va4 h ALA 197 Ca 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1va4 h ALA 197 Cb 0.44 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1va4 h ALA 197 CO -0.52 -0.71 -0.31 0.27 0.00 0.00 0.00 179.25 177.98 1va4 h PHE 198 N -0.37 0.00 -0.67 0.00 -5.15 -0.26 -2.14 116.94 108.34 1va4 h PHE 198 Ca -0.03 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.66 1va4 h PHE 198 Cb 0.31 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.45 1va4 h PHE 198 CO -0.08 0.31 0.10 0.00 -2.00 0.00 0.00 178.31 176.64 1va4 h ALA 199 N 1.69 0.89 0.00 12.09 0.00 -0.47 -3.39 119.26 130.08 1va4 h ALA 199 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1va4 h ALA 199 Cb 1.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1va4 h ALA 199 CO 0.04 0.67 -0.07 0.39 0.00 0.00 0.00 179.25 180.28 1va4 n GLU 200 N -4.21 6.36 -2.43 0.00 1.02 -0.90 -2.43 120.64 118.05 1va4 n GLU 200 Ca 0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 1va4 n GLU 200 Cb 0.30 -0.53 -0.03 0.00 -0.02 0.00 0.00 31.44 31.16 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 -1.05 4.10 -0.38 2.62 2.01 -0.81 -5.01 115.64 117.11 1va4 s THR 201 Ca 0.00 1.49 -0.16 0.00 0.31 0.00 0.00 61.69 63.34 1va4 s THR 201 Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1va4 s THR 201 CO 0.00 0.09 0.36 -0.62 -0.69 0.00 0.00 174.62 173.77 1va4 s ASP 202 N 1.15 6.16 -0.11 3.53 -1.08 -1.26 -4.54 116.67 120.52 1va4 s ASP 202 Ca 0.58 -0.52 0.18 0.00 -0.52 0.00 0.00 52.55 52.27 1va4 s ASP 202 Cb -0.28 -2.19 0.70 0.00 -1.46 0.00 0.00 42.92 39.69 1va4 s ASP 202 CO 0.28 -0.43 1.61 0.49 0.52 0.00 0.00 175.17 177.64 1va4 n PHE 203 N 5.38 1.44 -0.28 -5.34 3.72 0.63 -4.54 117.46 118.48 1va4 n PHE 203 Ca -0.09 -0.58 -0.06 0.00 -0.05 0.00 0.00 57.45 56.67 1va4 n PHE 203 Cb 0.48 -0.23 0.06 0.00 -0.94 0.00 0.00 39.48 38.85 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 4.02 1.13 -0.93 -1.08 3.08 -1.91 -1.41 114.38 117.27 1va4 h ARG 204 Ca 0.00 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 59.91 1va4 h ARG 204 Cb 1.41 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1va4 h ARG 204 CO 0.22 0.88 0.61 -1.35 -1.07 0.00 0.00 179.97 179.26 1va4 h PRO 205 N 1.10 1.14 -0.79 0.04 0.11 -1.93 -2.51 132.00 129.16 1va4 h PRO 205 Ca 0.26 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.35 1va4 h PRO 205 Cb 0.14 -0.26 -0.05 0.00 0.11 0.00 0.00 31.00 30.94 1va4 h PRO 205 CO -0.03 0.75 0.49 -0.44 -0.21 0.00 0.00 178.00 178.57 1va4 h ASP 206 N 1.17 0.80 -0.95 -2.05 5.19 -1.64 -2.62 116.42 116.33 1va4 h ASP 206 Ca 0.37 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.95 1va4 h ASP 206 Cb 0.01 -0.17 -0.08 0.00 0.18 0.00 0.00 39.33 39.26 1va4 h ASP 206 CO -0.12 0.54 0.60 0.24 -3.12 0.00 0.00 179.24 177.38 1va4 h MET 207 N 0.95 0.67 0.00 3.56 2.86 -0.82 0.27 114.93 122.42 1va4 h MET 207 Ca 0.32 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1va4 h MET 207 Cb 0.06 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1va4 h MET 207 CO -0.13 0.45 0.00 0.00 1.06 0.00 0.00 176.91 178.29 1va4 n ALA 208 N -2.41 1.84 1.11 6.32 0.00 -0.99 -2.63 120.51 123.75 1va4 n ALA 208 Ca 0.20 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1va4 n ALA 208 Cb 0.54 -1.42 0.17 0.00 0.00 0.00 0.00 19.45 18.73 1va4 n ALA 208 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1va4 n LYS 209 N -2.30 0.98 -2.78 0.00 5.02 0.07 -4.84 118.16 114.32 1va4 n LYS 209 Ca 0.03 -0.72 -0.43 0.00 -2.02 0.00 0.00 58.31 55.17 1va4 n LYS 209 Cb 0.29 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.51 4.37 -0.23 -0.18 1.01 -1.08 -4.83 121.20 117.74 1va4 s ILE 210 Ca 0.21 0.61 0.10 0.00 0.00 0.00 0.00 60.65 61.57 1va4 s ILE 210 Cb 0.19 -4.52 0.44 0.00 0.01 0.00 0.00 42.46 38.57 1va4 s ILE 210 CO 0.56 -1.02 1.28 -0.90 0.00 0.00 0.00 174.94 174.86 1va4 n ASP 211 N 7.49 1.91 -4.40 3.58 5.75 -1.26 -4.50 116.55 125.11 1va4 n ASP 211 Ca 0.05 -3.88 -0.20 0.00 -0.01 0.00 0.00 54.79 50.74 1va4 n ASP 211 Cb 0.48 -0.55 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 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 -3.26 1.82 0.22 2.12 -7.23 -1.26 -5.11 120.40 107.70 1va4 s VAL 212 Ca 0.40 -2.21 -0.32 0.00 -1.81 0.00 0.00 61.98 58.04 1va4 s VAL 212 Cb 0.38 -2.25 -0.14 0.00 0.56 0.00 0.00 36.38 34.93 1va4 s VAL 212 CO -0.05 -0.44 1.42 -2.65 -0.31 0.00 0.00 175.10 173.06 1va4 n PRO 213 N -0.50 1.97 -3.94 4.82 -0.02 -1.26 -4.79 135.00 131.28 1va4 n PRO 213 Ca -0.06 0.70 -0.15 0.00 -2.02 0.00 0.00 63.50 61.96 1va4 n PRO 213 Cb 0.62 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.11 0.15 -0.15 3.45 2.01 -1.26 -0.66 115.64 119.29 1va4 s THR 214 Ca 0.71 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.74 1va4 s THR 214 Cb -0.68 -0.20 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1va4 s THR 214 CO 0.48 0.10 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.10 1va4 s LEU 215 N 0.56 1.92 -0.22 4.42 2.96 0.13 -1.04 118.68 127.42 1va4 s LEU 215 Ca -0.05 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.22 1va4 s LEU 215 Cb -0.08 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 1va4 s LEU 215 CO -0.01 0.00 0.10 -0.69 -1.32 0.00 0.00 176.35 174.44 1va4 s VAL 216 N 1.19 4.94 -0.02 1.68 1.01 0.29 -0.73 120.40 128.76 1va4 s VAL 216 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1va4 s VAL 216 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1va4 s VAL 216 CO -0.08 0.39 -0.23 -0.63 0.00 0.00 0.00 175.10 174.55 1va4 s ILE 217 N 0.89 1.80 -0.06 2.22 1.01 -0.22 -0.94 121.20 125.90 1va4 s ILE 217 Ca 0.05 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.51 1va4 s ILE 217 Cb -0.13 -1.50 0.05 0.00 0.01 0.00 0.00 42.46 40.89 1va4 s ILE 217 CO 0.03 0.51 0.52 -2.28 0.00 0.00 0.00 174.94 173.72 1va4 s HIS 218 N -0.47 -0.47 0.01 3.97 2.46 -1.01 -1.08 115.29 118.69 1va4 s HIS 218 Ca 0.07 0.86 -0.16 0.00 0.47 0.00 0.00 55.06 56.31 1va4 s HIS 218 Cb -0.09 0.26 -0.06 0.00 -0.13 0.00 0.00 32.58 32.56 1va4 s HIS 218 CO -0.00 -0.48 0.44 0.20 -2.47 0.00 0.00 174.74 172.43 1va4 s GLY 219 N -1.01 2.51 -0.02 1.59 0.00 -1.26 -1.02 107.32 108.11 1va4 s GLY 219 Ca -0.10 -0.17 0.11 0.00 0.00 0.00 0.00 44.72 44.56 1va4 s GLY 219 CO 0.06 0.22 1.27 2.09 0.00 0.00 0.00 173.10 176.74 1va4 n ASP 220 N 1.84 2.40 -1.21 1.64 5.68 -1.10 -3.03 116.55 122.77 1va4 n ASP 220 Ca -0.13 -2.09 0.08 0.00 -0.50 0.00 0.00 54.79 52.15 1va4 n ASP 220 Cb 0.52 -0.33 0.29 0.00 -1.14 0.00 0.00 41.12 40.46 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 0.98 3.15 3.63 6.12 0.00 -0.32 -4.77 105.19 113.99 1va4 n GLY 221 Ca 0.14 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.21 6.41 0.07 1.61 -1.08 -1.03 -4.55 116.67 116.89 1va4 s ASP 222 Ca 0.43 1.69 0.26 0.00 -0.52 0.00 0.00 52.55 54.41 1va4 s ASP 222 Cb 0.29 -2.53 0.74 0.00 -1.46 0.00 0.00 42.92 39.96 1va4 s ASP 222 CO 0.18 -1.22 1.62 0.00 0.52 0.00 0.00 175.17 176.26 1va4 n GLN 223 N 7.60 0.13 -0.12 4.34 6.02 -1.26 -4.33 117.38 129.76 1va4 n GLN 223 Ca 0.19 0.07 -0.26 0.00 -0.01 0.00 0.00 57.00 56.99 1va4 n GLN 223 Cb 0.45 -1.61 -0.09 0.00 1.02 0.00 0.00 30.24 30.01 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 -1.81 1.36 -3.91 5.09 2.08 -1.26 -4.86 119.36 116.05 1va4 n ILE 224 Ca 0.05 -0.32 -0.30 0.00 0.56 0.00 0.00 62.75 62.74 1va4 n ILE 224 Cb 0.38 -1.86 -0.14 0.00 -0.75 0.00 0.00 39.64 37.27 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 -2.47 2.10 0.07 1.39 1.01 -1.26 -5.08 120.40 116.17 1va4 s VAL 225 Ca -0.34 -2.64 -0.31 0.00 0.00 0.00 0.00 61.98 58.68 1va4 s VAL 225 Cb 0.13 -2.51 -0.10 0.00 0.00 0.00 0.00 36.38 33.90 1va4 s VAL 225 CO 0.43 -0.73 1.89 -2.65 0.00 0.00 0.00 175.10 174.04 1va4 n PRO 226 N 3.78 2.75 -0.20 2.72 -0.02 -1.26 -4.83 135.00 137.94 1va4 n PRO 226 Ca 0.04 1.01 0.01 0.00 -2.02 0.00 0.00 63.50 62.54 1va4 n PRO 226 Cb 0.37 -2.92 0.11 0.00 -0.02 0.00 0.00 33.50 31.04 1va4 n PRO 226 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1va4 h PHE 227 N 9.35 0.13 0.00 6.00 3.04 -1.80 -2.86 116.94 130.80 1va4 h PHE 227 Ca -0.48 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.50 1va4 h PHE 227 Cb 1.23 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.78 1va4 h PHE 227 CO 0.86 -0.08 -0.02 0.93 -2.02 0.00 0.00 178.31 177.98 1va4 h GLU 228 N 0.21 0.00 -0.15 1.11 4.39 -1.94 -2.03 114.58 116.16 1va4 h GLU 228 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1va4 h GLU 228 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1va4 h GLU 228 CO -0.45 0.02 0.00 0.25 -1.16 0.00 0.00 179.01 177.67 1va4 n THR 229 N -4.48 0.34 0.00 1.13 -2.24 -1.10 -4.42 114.28 103.52 1va4 n THR 229 Ca -0.03 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1va4 n THR 229 Cb 0.11 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.71 0.00 -0.27 4.28 -2.24 -1.00 -4.61 114.28 111.15 1va4 n THR 230 Ca 0.10 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.95 1va4 n THR 230 Cb 0.37 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.79 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 1.00 0.25 3.38 0.00 -1.59 0.52 103.07 106.63 1va4 h GLY 231 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 47.33 47.53 1va4 h GLY 231 CO 0.00 -0.30 0.38 1.70 0.00 0.00 0.00 176.54 178.32 1va4 h LYS 232 N 0.14 0.55 0.20 4.80 3.64 -1.64 -1.51 116.57 122.75 1va4 h LYS 232 Ca 0.45 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.52 1va4 h LYS 232 Cb 0.83 -0.12 0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1va4 h LYS 232 CO -0.65 0.36 -1.23 0.28 -2.27 0.00 0.00 179.45 175.94 1va4 h VAL 233 N 0.56 1.36 -0.85 2.00 2.07 -1.20 -3.21 116.25 116.98 1va4 h VAL 233 Ca 0.43 -2.61 0.07 0.00 0.82 0.00 0.00 66.70 65.41 1va4 h VAL 233 Cb 0.59 3.05 -0.06 0.00 -1.52 0.00 0.00 31.29 33.34 1va4 h VAL 233 CO -0.36 0.77 0.51 0.00 0.02 0.00 0.00 177.57 178.52 1va4 h ALA 234 N 0.15 1.18 -0.15 1.67 0.00 -0.79 -0.62 119.26 120.70 1va4 h ALA 234 Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1va4 h ALA 234 Cb 1.96 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1va4 h ALA 234 CO 0.23 0.22 -0.13 0.00 0.00 0.00 0.00 179.25 179.58 1va4 h ALA 235 N 1.42 1.52 0.05 0.00 0.00 -1.33 -1.32 119.26 119.59 1va4 h ALA 235 Ca 0.38 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.85 1va4 h ALA 235 Cb 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1va4 h ALA 235 CO -0.19 0.35 -1.04 0.93 0.00 0.00 0.00 179.25 179.29 1va4 h GLU 236 N 0.22 0.27 0.00 0.00 5.08 -1.36 -3.36 114.58 115.44 1va4 h GLU 236 Ca 0.05 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 57.92 1va4 h GLU 236 Cb 0.37 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1va4 h GLU 236 CO 0.02 1.10 -0.60 -0.07 -1.00 0.00 0.00 179.01 178.47 1va4 h LEU 237 N 0.12 0.00 -8.95 1.33 3.38 -0.80 -3.43 115.31 106.96 1va4 h LEU 237 Ca -0.09 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.27 1va4 h LEU 237 Cb 1.72 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.36 1va4 h LEU 237 CO 0.17 0.60 0.24 -0.63 0.09 0.00 0.00 178.44 178.91 1va4 s ILE 238 N -2.97 4.91 0.14 1.22 1.01 -0.53 -4.58 121.20 120.41 1va4 s ILE 238 Ca 0.03 1.10 -0.31 0.00 0.00 0.00 0.00 60.65 61.47 1va4 s ILE 238 Cb 0.08 -4.02 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 1va4 s ILE 238 CO 0.76 -0.10 1.83 -0.75 0.00 0.00 0.00 174.94 176.68 1va4 s LYS 239 N 2.67 4.13 0.00 2.79 2.20 -1.26 -2.01 119.74 128.26 1va4 s LYS 239 Ca 0.28 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.52 1va4 s LYS 239 Cb -0.15 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1va4 s LYS 239 CO 0.10 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 1va4 n GLY 240 N 4.22 0.75 3.76 5.54 0.00 -1.26 -4.89 105.19 113.30 1va4 n GLY 240 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.10 3.03 -0.04 4.61 0.00 -0.85 -4.67 121.76 120.74 1va4 s ALA 241 Ca 0.00 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.11 1va4 s ALA 241 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1va4 s ALA 241 CO 0.00 -0.96 0.14 -2.00 0.00 0.00 0.00 175.76 172.94 1va4 s GLU 242 N -2.60 3.32 -0.12 0.00 2.12 -0.20 -4.94 118.70 116.28 1va4 s GLU 242 Ca 0.64 -0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.68 1va4 s GLU 242 Cb -0.36 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1va4 s GLU 242 CO 0.44 0.70 -0.21 -1.17 -0.54 0.00 0.00 175.26 174.48 1va4 s LEU 243 N -1.60 2.21 -0.10 2.70 2.96 -1.26 -0.54 118.68 123.05 1va4 s LEU 243 Ca 0.22 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1va4 s LEU 243 Cb -0.12 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 1va4 s LEU 243 CO 0.13 0.12 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.55 1va4 s LYS 244 N 0.57 3.07 -0.18 1.98 1.02 -0.11 -4.98 119.74 121.11 1va4 s LYS 244 Ca -0.12 -0.79 -0.02 0.00 0.02 0.00 0.00 55.97 55.05 1va4 s LYS 244 Cb -0.17 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1va4 s LYS 244 CO 0.04 0.25 -0.09 0.08 -0.92 0.00 0.00 175.35 174.71 1va4 s VAL 245 N 0.20 3.12 -0.30 3.17 1.01 -1.26 -2.41 120.40 123.93 1va4 s VAL 245 Ca -0.12 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 1va4 s VAL 245 Cb -0.16 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1va4 s VAL 245 CO 0.06 0.47 0.54 -0.31 0.00 0.00 0.00 175.10 175.87 1va4 s TYR 246 N 1.03 3.22 0.13 5.22 1.51 -0.19 -4.96 117.35 123.32 1va4 s TYR 246 Ca -0.00 0.48 -0.31 0.00 -1.01 0.00 0.00 57.07 56.23 1va4 s TYR 246 Cb -0.15 -2.85 -0.09 0.00 -0.11 0.00 0.00 41.96 38.76 1va4 s TYR 246 CO -0.01 -0.41 1.61 0.21 -1.11 0.00 0.00 175.55 175.84 1va4 s LYS 247 N 2.41 4.20 0.00 -0.62 2.20 -1.26 -1.97 119.74 124.71 1va4 s LYS 247 Ca 0.21 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 1va4 s LYS 247 Cb -0.15 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1va4 s LYS 247 CO 0.11 -0.66 0.00 -0.25 -0.36 0.00 0.00 175.35 174.19 1va4 n ASP 248 N 4.62 -4.16 -4.77 1.43 10.43 -1.26 -4.90 116.55 117.94 1va4 n ASP 248 Ca 0.15 0.00 -0.37 0.00 2.57 0.00 0.00 54.79 57.14 1va4 n ASP 248 Cb 0.39 -3.16 -0.01 0.00 1.84 0.00 0.00 41.12 40.19 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 -1.02 2.98 0.84 2.24 0.00 -0.83 -4.19 121.76 121.77 1va4 s ALA 249 Ca 0.00 0.96 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 1va4 s ALA 249 Cb 0.00 -3.39 0.13 0.00 0.00 0.00 0.00 23.12 19.85 1va4 s ALA 249 CO 0.00 -0.69 0.79 -0.35 0.00 0.00 0.00 175.76 175.51 1va4 n PRO 250 N -0.48 -0.44 -0.20 0.00 -0.04 -1.26 -1.18 135.00 131.40 1va4 n PRO 250 Ca 0.07 -1.55 -0.04 0.00 -0.04 0.00 0.00 63.50 61.94 1va4 n PRO 250 Cb 0.48 -0.71 0.06 0.00 -0.04 0.00 0.00 33.50 33.29 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 -1.09 0.63 -0.34 0.54 -0.00 -1.79 -3.29 115.15 109.80 1va4 h HIS 251 Ca -0.26 0.02 -0.24 0.00 -0.00 0.00 0.00 60.37 59.89 1va4 h HIS 251 Cb 0.79 -0.20 -0.09 0.00 -0.00 0.00 0.00 27.41 27.91 1va4 h HIS 251 CO 0.00 0.34 0.06 0.41 -0.00 0.00 0.00 177.93 178.74 1va4 n GLY 252 N -1.26 3.42 0.05 5.26 0.00 0.20 -4.61 105.19 108.25 1va4 n GLY 252 Ca 0.05 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 1.41 0.39 0.32 1.61 1.16 -1.24 -2.27 117.46 118.84 1va4 n PHE 253 Ca 0.31 0.13 0.21 0.00 -1.87 0.00 0.00 57.45 56.22 1va4 n PHE 253 Cb 0.66 -0.70 1.02 0.00 -1.61 0.00 0.00 39.48 38.84 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 2.67 1.00 0.00 1.98 0.00 -1.88 0.24 119.26 123.26 1va4 h ALA 254 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1va4 h ALA 254 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1va4 h ALA 254 CO 0.00 0.00 -1.27 0.28 0.00 0.00 0.00 179.25 178.26 1va4 n VAL 255 N -3.06 1.50 0.18 0.00 0.31 -0.96 -3.72 118.33 112.58 1va4 n VAL 255 Ca -0.02 -0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.35 1va4 n VAL 255 Cb 0.15 -2.15 0.30 0.00 -0.91 0.00 0.00 33.84 31.23 1va4 n VAL 255 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1va4 h THR 256 N -1.00 1.00 -0.46 2.52 1.35 -1.42 -3.16 112.91 111.74 1va4 h THR 256 Ca -0.28 -1.65 -0.34 0.00 -0.55 0.00 0.00 66.41 63.60 1va4 h THR 256 Cb 1.10 1.98 -0.30 0.00 -1.73 0.00 0.00 68.15 69.20 1va4 h THR 256 CO -0.17 0.42 -0.76 1.41 -0.25 0.00 0.00 175.52 176.17 1va4 n HIS 257 N -3.59 1.65 -0.14 4.73 -0.00 0.82 -4.89 115.22 113.80 1va4 n HIS 257 Ca -0.00 -1.91 -0.03 0.00 -0.00 0.00 0.00 57.72 55.77 1va4 n HIS 257 Cb 0.53 -0.29 0.05 0.00 -0.00 0.00 0.00 29.99 30.28 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 1.81 0.52 -0.49 -1.41 0.00 -1.56 -1.29 119.26 116.82 1va4 h ALA 258 Ca 0.18 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1va4 h ALA 258 Cb 1.37 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1va4 h ALA 258 CO 0.45 -0.30 0.00 0.37 0.00 0.00 0.00 179.25 179.77 1va4 h GLN 259 N 0.24 0.87 -0.64 0.00 4.15 -1.89 -0.16 115.11 117.68 1va4 h GLN 259 Ca 0.23 -0.27 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1va4 h GLN 259 Cb 0.28 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 1va4 h GLN 259 CO -0.29 0.90 0.23 0.37 -1.93 0.00 0.00 178.83 178.11 1va4 h GLN 260 N 0.73 0.98 -0.51 1.69 4.15 -1.89 -1.94 115.11 118.33 1va4 h GLN 260 Ca 0.14 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 1va4 h GLN 260 Cb 0.51 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1va4 h GLN 260 CO 0.02 0.84 0.15 1.25 -1.93 0.00 0.00 178.83 179.16 1va4 h LEU 261 N 0.91 0.75 -0.52 -2.39 5.85 -1.01 0.24 115.31 119.14 1va4 h LEU 261 Ca 0.21 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1va4 h LEU 261 Cb 0.25 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1va4 h LEU 261 CO -0.01 0.77 0.30 0.78 -0.34 0.00 0.00 178.44 179.93 1va4 h ASN 262 N 0.69 0.47 -0.35 1.25 2.35 -0.63 0.24 115.58 119.60 1va4 h ASN 262 Ca 0.16 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1va4 h ASN 262 Cb 0.29 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1va4 h ASN 262 CO -0.00 0.33 -0.19 -0.33 -1.65 0.00 0.00 177.43 175.58 1va4 h GLU 263 N 0.59 0.84 -0.29 0.81 5.08 -1.16 -2.04 114.58 118.41 1va4 h GLU 263 Ca 0.22 -0.33 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 1va4 h GLU 263 Cb 0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1va4 h GLU 263 CO -0.11 0.96 -0.44 -0.44 -1.00 0.00 0.00 179.01 177.98 1va4 h ASP 264 N 0.73 0.79 -0.09 1.42 3.32 -0.53 -0.74 116.42 121.33 1va4 h ASP 264 Ca 0.11 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 1va4 h ASP 264 Cb 0.72 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1va4 h ASP 264 CO 0.06 1.12 0.05 -0.07 -1.72 0.00 0.00 179.24 178.67 1va4 h LEU 265 N 0.59 0.10 -0.48 1.55 3.38 -0.83 -1.25 115.31 118.37 1va4 h LEU 265 Ca 0.04 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1va4 h LEU 265 Cb 0.99 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1va4 h LEU 265 CO 0.09 0.13 0.23 0.25 0.09 0.00 0.00 178.44 179.23 1va4 h LEU 266 N 0.07 0.32 -0.92 1.67 5.85 -1.29 -0.56 115.31 120.46 1va4 h LEU 266 Ca 0.03 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1va4 h LEU 266 Cb 0.04 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1va4 h LEU 266 CO -0.01 0.23 0.50 0.00 -0.34 0.00 0.00 178.44 178.82 1va4 h ALA 267 N 1.27 1.17 -0.48 1.25 0.00 -0.99 -1.78 119.26 119.71 1va4 h ALA 267 Ca 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1va4 h ALA 267 Cb 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1va4 h ALA 267 CO -0.16 0.67 0.19 0.35 0.00 0.00 0.00 179.25 180.30 1va4 h PHE 268 N 1.26 0.73 -0.30 0.00 3.57 -0.79 -2.01 116.94 119.40 1va4 h PHE 268 Ca 0.32 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1va4 h PHE 268 Cb 0.02 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1va4 h PHE 268 CO 0.01 0.62 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.63 1va4 h LEU 269 N 0.64 0.42 -0.76 0.59 3.38 -0.75 -2.83 115.31 116.00 1va4 h LEU 269 Ca 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1va4 h LEU 269 Cb 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1va4 h LEU 269 CO -0.01 0.49 -0.13 0.29 0.09 0.00 0.00 178.44 179.16 1va4 n LYS 270 N -4.30 1.27 0.00 1.13 5.02 -0.70 -5.11 118.16 115.47 1va4 n LYS 270 Ca 0.01 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 1va4 n LYS 270 Cb 0.23 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1va4 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77