#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va6 s ILE 2 N 0.00 4.66 0.77 1.12 -1.09 -1.26 -5.01 121.20 120.38 1va6 s ILE 2 Ca 0.00 2.01 -0.14 0.00 -2.23 0.00 0.00 60.65 60.29 1va6 s ILE 2 Cb 0.00 -4.29 0.06 0.00 -1.58 0.00 0.00 42.46 36.65 1va6 s ILE 2 CO 0.00 0.21 1.20 -2.84 -1.23 0.00 0.00 174.94 172.29 1va6 s PRO 3 N 0.63 1.90 -0.00 2.79 0.02 -1.26 -4.96 135.00 134.11 1va6 s PRO 3 Ca 0.51 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.96 1va6 s PRO 3 Cb -0.23 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 1va6 s PRO 3 CO 0.29 -2.02 1.37 0.34 -0.33 0.00 0.00 177.00 176.65 1va6 s ASP 4 N -2.14 6.88 -0.11 2.53 2.15 -1.26 -4.91 116.67 119.81 1va6 s ASP 4 Ca 0.73 2.08 0.15 0.00 0.43 0.00 0.00 52.55 55.94 1va6 s ASP 4 Cb -0.28 -2.56 0.26 0.00 -0.30 0.00 0.00 42.92 40.03 1va6 s ASP 4 CO 0.48 -0.70 1.13 0.52 -0.17 0.00 0.00 175.17 176.44 1va6 n VAL 5 N 4.63 1.54 -0.12 1.11 0.31 -1.26 -4.78 118.33 119.75 1va6 n VAL 5 Ca 0.13 -1.94 -0.05 0.00 -0.01 0.00 0.00 64.34 62.47 1va6 n VAL 5 Cb 0.44 -0.08 0.03 0.00 -0.91 0.00 0.00 33.84 33.33 1va6 n VAL 5 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1va6 h SER 6 N 0.14 -0.05 -0.15 4.52 0.02 -1.98 -0.83 113.55 115.21 1va6 h SER 6 Ca -0.01 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1va6 h SER 6 Cb 1.10 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1va6 h SER 6 CO 0.00 0.01 0.03 1.56 -1.14 0.00 0.00 176.83 177.29 1va6 h GLN 7 N 0.17 0.25 -0.40 3.45 4.20 -1.99 0.53 115.11 121.32 1va6 h GLN 7 Ca 0.20 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 1va6 h GLN 7 Cb 0.25 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1va6 h GLN 7 CO -0.28 0.41 -0.05 0.00 -0.67 0.00 0.00 178.83 178.24 1va6 h ALA 8 N 0.82 1.17 -0.14 3.87 0.00 -1.83 -0.87 119.26 122.28 1va6 h ALA 8 Ca 0.05 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1va6 h ALA 8 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1va6 h ALA 8 CO 0.00 0.53 -0.55 -0.07 0.00 0.00 0.00 179.25 179.16 1va6 h LEU 9 N 0.62 0.47 -0.42 0.00 3.38 -0.87 -1.01 115.31 117.47 1va6 h LEU 9 Ca 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1va6 h LEU 9 Cb 0.46 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1va6 h LEU 9 CO 0.02 0.92 0.17 0.00 0.09 0.00 0.00 178.44 179.65 1va6 h ALA 10 N 1.09 0.54 -0.70 1.53 0.00 -0.54 -2.11 119.26 119.06 1va6 h ALA 10 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1va6 h ALA 10 Cb 1.07 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1va6 h ALA 10 CO 0.10 0.14 0.39 2.35 0.00 0.00 0.00 179.25 182.23 1va6 h TRP 11 N 0.53 0.72 -0.61 0.00 7.01 -0.87 -1.93 115.95 120.80 1va6 h TRP 11 Ca 0.14 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 1va6 h TRP 11 Cb 0.18 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.99 1va6 h TRP 11 CO -0.00 0.34 0.28 1.25 -2.79 0.00 0.00 178.44 177.52 1va6 h LEU 12 N 0.72 0.82 -1.24 0.65 5.85 -0.87 0.90 115.31 122.14 1va6 h LEU 12 Ca 0.32 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1va6 h LEU 12 Cb 0.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1va6 h LEU 12 CO -0.19 0.74 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.03 1va6 h GLU 13 N 0.85 0.00 0.00 1.25 5.08 -1.15 -1.62 114.58 118.98 1va6 h GLU 13 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1va6 h GLU 13 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1va6 h GLU 13 CO -0.02 0.28 -0.32 0.87 -1.00 0.00 0.00 179.01 178.82 1va6 h LYS 14 N 0.00 0.00 -2.13 2.33 1.57 -0.76 -3.36 116.57 114.21 1va6 h LYS 14 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1va6 h LYS 14 Cb 0.71 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.61 1va6 h LYS 14 CO 0.04 0.00 -0.89 0.72 -0.57 0.00 0.00 179.45 178.75 1va6 n HIS 15 N -2.45 2.06 -0.22 -1.35 8.25 0.26 -4.97 115.22 116.79 1va6 n HIS 15 Ca 0.04 -3.90 0.03 0.00 -0.26 0.00 0.00 57.72 53.63 1va6 n HIS 15 Cb 0.47 -0.46 0.28 0.00 1.12 0.00 0.00 29.99 31.40 1va6 n HIS 15 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1va6 h PRO 16 N 3.32 0.91 0.00 -0.41 0.11 -1.49 -1.91 132.00 132.53 1va6 h PRO 16 Ca 0.12 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1va6 h PRO 16 Cb 0.74 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1va6 h PRO 16 CO 0.66 0.60 0.00 1.04 -0.21 0.00 0.00 178.00 180.09 1va6 n GLN 17 N -4.46 0.63 0.15 1.05 1.13 -1.26 -2.46 117.38 112.15 1va6 n GLN 17 Ca 0.10 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.29 1va6 n GLN 17 Cb 0.14 -1.39 0.48 0.00 0.11 0.00 0.00 30.24 29.58 1va6 n GLN 17 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1va6 h ALA 18 N 3.03 1.00 -0.02 -1.58 0.00 -1.62 -3.13 119.26 116.94 1va6 h ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1va6 h ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1va6 h ALA 18 CO 0.00 0.00 -0.32 1.28 0.00 0.00 0.00 179.25 180.21 1va6 n LEU 19 N -2.40 1.99 -4.67 0.00 4.77 -1.03 -3.10 117.00 112.55 1va6 n LEU 19 Ca 0.03 -0.81 -0.43 0.00 -0.03 0.00 0.00 56.01 54.77 1va6 n LEU 19 Cb 0.30 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1va6 n LEU 19 CO 0.24 0.37 1.11 -0.75 -1.33 0.00 0.00 177.39 177.02 1va6 s LYS 20 N -2.06 4.26 0.00 3.23 2.20 -1.18 -3.54 119.74 122.65 1va6 s LYS 20 Ca 0.17 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 1va6 s LYS 20 Cb 0.16 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1va6 s LYS 20 CO 0.43 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1va6 n GLY 21 N 3.64 1.35 3.66 5.54 0.00 -1.26 -4.73 105.19 113.40 1va6 n GLY 21 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1va6 n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1va6 n ILE 22 N -0.63 2.29 -4.42 -0.61 5.41 -1.23 -4.29 119.36 115.87 1va6 n ILE 22 Ca 0.00 -0.50 -0.29 0.00 1.00 0.00 0.00 62.75 62.96 1va6 n ILE 22 Cb 0.00 -1.39 -0.13 0.00 -0.71 0.00 0.00 39.64 37.41 1va6 n ILE 22 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1va6 s GLN 23 N -1.98 1.61 0.05 0.38 -0.21 -0.74 -4.40 119.66 114.37 1va6 s GLN 23 Ca 0.60 -1.25 -0.04 0.00 0.02 0.00 0.00 55.36 54.69 1va6 s GLN 23 Cb -0.56 -2.00 -0.02 0.00 1.00 0.00 0.00 33.01 31.43 1va6 s GLN 23 CO 0.59 0.47 0.06 1.03 -2.12 0.00 0.00 175.29 175.32 1va6 s ARG 24 N -1.98 0.62 -0.16 2.91 0.52 0.13 -2.09 118.95 118.90 1va6 s ARG 24 Ca 0.15 -0.94 -0.14 0.00 -0.52 0.00 0.00 55.73 54.28 1va6 s ARG 24 Cb -0.10 0.24 0.04 0.00 0.52 0.00 0.00 34.95 35.65 1va6 s ARG 24 CO 0.07 -0.15 0.42 0.20 0.02 0.00 0.00 175.30 175.86 1va6 s GLY 25 N -2.49 -0.32 -0.08 -3.53 0.00 -0.33 -1.07 107.32 99.50 1va6 s GLY 25 Ca 0.00 1.25 0.02 0.00 0.00 0.00 0.00 44.72 46.00 1va6 s GLY 25 CO -0.07 1.14 -0.14 1.08 0.00 0.00 0.00 173.10 175.10 1va6 s LEU 26 N 0.42 2.70 -0.12 0.66 1.43 -1.26 -0.39 118.68 122.12 1va6 s LEU 26 Ca -0.02 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1va6 s LEU 26 Cb -0.04 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1va6 s LEU 26 CO -0.02 0.28 -0.12 -1.61 0.23 0.00 0.00 176.35 175.12 1va6 s GLU 27 N -0.35 3.33 -0.06 1.70 2.02 -0.50 -1.60 118.70 123.25 1va6 s GLU 27 Ca 0.03 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.37 1va6 s GLU 27 Cb -0.12 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.48 1va6 s GLU 27 CO 0.02 0.26 -0.05 0.50 0.02 0.00 0.00 175.26 176.01 1va6 s ARG 28 N 0.23 1.00 -0.03 1.61 3.00 -0.30 -0.74 118.95 123.73 1va6 s ARG 28 Ca -0.08 -0.13 -0.01 0.00 -1.00 0.00 0.00 55.73 54.50 1va6 s ARG 28 Cb -0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 34.95 33.74 1va6 s ARG 28 CO 0.05 -0.12 0.07 -1.21 0.00 0.00 0.00 175.30 174.09 1va6 s GLU 29 N 1.12 3.07 -0.23 5.12 2.02 -0.99 -0.20 118.70 128.61 1va6 s GLU 29 Ca -0.08 -0.44 -0.25 0.00 0.02 0.00 0.00 54.97 54.22 1va6 s GLU 29 Cb -0.14 -2.87 0.07 0.00 0.10 0.00 0.00 34.13 31.29 1va6 s GLU 29 CO -0.01 0.67 0.70 -0.08 0.02 0.00 0.00 175.26 176.56 1va6 s THR 30 N -1.11 0.00 0.10 3.63 -1.32 -0.76 -4.43 115.64 111.75 1va6 s THR 30 Ca 0.20 -0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.38 1va6 s THR 30 Cb -0.12 -0.98 -0.06 0.00 -1.51 0.00 0.00 72.50 69.83 1va6 s THR 30 CO 0.10 -0.00 0.97 -0.76 -2.21 0.00 0.00 174.62 172.72 1va6 s LEU 31 N 0.13 4.49 0.02 9.08 1.43 -1.26 -0.59 118.68 131.98 1va6 s LEU 31 Ca -0.02 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 1va6 s LEU 31 Cb -0.04 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 1va6 s LEU 31 CO 0.02 -0.08 0.98 -0.13 0.23 0.00 0.00 176.35 177.37 1va6 s ARG 32 N 0.07 4.57 0.04 1.70 0.52 0.27 -1.16 118.95 124.97 1va6 s ARG 32 Ca 0.47 1.44 0.01 0.00 -0.52 0.00 0.00 55.73 57.12 1va6 s ARG 32 Cb -0.23 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 1va6 s ARG 32 CO 0.30 -0.02 -0.05 0.14 0.02 0.00 0.00 175.30 175.69 1va6 s VAL 33 N 0.87 0.30 0.85 3.52 -7.23 0.39 -1.09 120.40 118.01 1va6 s VAL 33 Ca 0.51 -1.22 -0.12 0.00 -1.81 0.00 0.00 61.98 59.35 1va6 s VAL 33 Cb -0.22 -0.72 0.10 0.00 0.56 0.00 0.00 36.38 36.10 1va6 s VAL 33 CO 0.28 -0.60 1.10 0.20 -0.31 0.00 0.00 175.10 175.77 1va6 s ASN 34 N -1.91 3.99 0.62 4.85 0.01 0.03 0.36 114.94 122.89 1va6 s ASN 34 Ca -0.07 1.38 0.37 0.00 -0.71 0.00 0.00 52.86 53.83 1va6 s ASN 34 Cb -0.05 -2.09 2.06 0.00 0.41 0.00 0.00 41.25 41.59 1va6 s ASN 34 CO -0.03 -2.29 2.28 0.00 -1.51 0.00 0.00 177.10 175.55 1va6 h ALA 35 N -1.31 1.20 -0.30 0.60 0.00 -1.89 0.67 119.26 118.23 1va6 h ALA 35 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1va6 h ALA 35 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1va6 h ALA 35 CO 0.57 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 1va6 n ASP 36 N -3.39 1.92 0.00 0.00 5.68 -1.26 -4.92 116.55 114.58 1va6 n ASP 36 Ca -0.03 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1va6 n ASP 36 Cb 0.11 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1va6 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1va6 n GLY 37 N 0.87 2.25 3.80 6.12 0.00 0.23 -5.03 105.19 113.43 1va6 n GLY 37 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1va6 n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1va6 s THR 38 N -3.22 3.77 0.18 2.61 -4.23 -1.26 -4.60 115.64 108.90 1va6 s THR 38 Ca 0.00 0.64 -0.32 0.00 -1.18 0.00 0.00 61.69 60.83 1va6 s THR 38 Cb 0.00 -3.26 -0.11 0.00 1.34 0.00 0.00 72.50 70.47 1va6 s THR 38 CO 0.00 -0.69 1.63 -0.22 -0.54 0.00 0.00 174.62 174.79 1va6 s LEU 39 N -5.41 4.37 0.36 4.79 2.96 -1.26 -0.79 118.68 123.70 1va6 s LEU 39 Ca 0.60 2.72 -0.28 0.00 -0.22 0.00 0.00 54.13 56.95 1va6 s LEU 39 Cb -0.15 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.84 1va6 s LEU 39 CO 0.51 -0.88 1.32 0.00 -1.32 0.00 0.00 176.35 175.98 1va6 s ALA 40 N 1.13 3.43 -0.32 5.97 0.00 -0.25 -4.69 121.76 127.04 1va6 s ALA 40 Ca 0.72 1.28 0.10 0.00 0.00 0.00 0.00 51.96 54.06 1va6 s ALA 40 Cb -0.46 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.05 1va6 s ALA 40 CO 0.32 -0.74 0.35 0.25 0.00 0.00 0.00 175.76 175.94 1va6 n THR 41 N 0.55 0.00 -0.63 0.00 -2.24 -1.26 -4.79 114.28 105.91 1va6 n THR 41 Ca 0.01 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 1va6 n THR 41 Cb 0.42 0.78 0.20 0.00 -2.10 0.00 0.00 70.33 69.63 1va6 n THR 41 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1va6 s THR 42 N -2.15 2.04 0.87 4.28 -4.23 -1.26 -5.02 115.64 110.17 1va6 s THR 42 Ca 0.01 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 60.41 1va6 s THR 42 Cb 0.07 -2.04 0.14 0.00 1.34 0.00 0.00 72.50 72.01 1va6 s THR 42 CO 0.40 -0.02 1.23 -0.83 -0.54 0.00 0.00 174.62 174.86 1va6 s GLY 43 N -2.60 1.70 -0.04 3.99 0.00 -1.26 -4.75 107.32 104.36 1va6 s GLY 43 Ca 0.67 -0.98 -0.33 0.00 0.00 0.00 0.00 44.72 44.09 1va6 s GLY 43 CO 0.60 -0.36 1.88 1.57 0.00 0.00 0.00 173.10 176.79 1va6 n HIS 44 N -3.48 2.38 -1.54 1.90 -0.00 -1.26 -4.79 115.22 108.43 1va6 n HIS 44 Ca 0.12 -0.07 -0.54 0.00 0.46 0.00 0.00 57.72 57.69 1va6 n HIS 44 Cb 0.60 -2.69 -0.06 0.00 -0.12 0.00 0.00 29.99 27.72 1va6 n HIS 44 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1va6 n PRO 45 N 6.57 0.65 0.14 1.57 -0.02 -1.26 -4.84 135.00 137.82 1va6 n PRO 45 Ca 0.22 0.23 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 1va6 n PRO 45 Cb 0.32 -1.76 0.49 0.00 -0.02 0.00 0.00 33.50 32.53 1va6 n PRO 45 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1va6 h GLU 46 N 3.55 0.23 0.00 -0.52 4.39 -1.87 -1.11 114.58 119.26 1va6 h GLU 46 Ca -0.47 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1va6 h GLU 46 Cb 1.38 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1va6 h GLU 46 CO 0.70 0.23 0.00 0.00 -1.16 0.00 0.00 179.01 178.79 1va6 h ALA 47 N 1.81 1.00 -0.00 3.43 0.00 -1.88 -1.94 119.26 121.68 1va6 h ALA 47 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1va6 h ALA 47 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1va6 h ALA 47 CO -0.00 0.00 -0.41 1.28 0.00 0.00 0.00 179.25 180.12 1va6 n LEU 48 N -2.92 0.53 0.00 0.00 4.77 -0.42 -4.74 117.00 114.21 1va6 n LEU 48 Ca -0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1va6 n LEU 48 Cb 0.14 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1va6 n LEU 48 CO 0.21 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1va6 n GLY 49 N 1.47 1.21 3.68 -0.72 0.00 -0.73 -4.64 105.19 105.45 1va6 n GLY 49 Ca 0.07 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1va6 n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1va6 s SER 50 N -4.00 7.14 0.31 1.61 0.15 -1.26 -4.89 113.70 112.76 1va6 s SER 50 Ca 0.00 1.41 0.16 0.00 0.70 0.00 0.00 55.95 58.22 1va6 s SER 50 Cb 0.00 -2.52 0.30 0.00 -1.71 0.00 0.00 66.02 62.09 1va6 s SER 50 CO 0.00 -0.44 1.55 0.00 1.20 0.00 0.00 173.24 175.55 1va6 h ALA 51 N 7.18 0.78 -0.25 5.45 0.00 -1.85 -1.42 119.26 129.15 1va6 h ALA 51 Ca -0.30 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1va6 h ALA 51 Cb 1.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1va6 h ALA 51 CO 0.86 0.60 0.11 1.25 0.00 0.00 0.00 179.25 182.07 1va6 h LEU 52 N 0.00 0.30 -0.08 0.00 5.85 -1.91 -3.35 115.31 116.12 1va6 h LEU 52 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1va6 h LEU 52 Cb 1.21 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1va6 h LEU 52 CO 0.06 0.26 0.00 0.35 -0.34 0.00 0.00 178.44 178.77 1va6 n THR 53 N -4.45 0.00 -1.75 1.05 -2.24 -1.19 -5.07 114.28 100.63 1va6 n THR 53 Ca 0.01 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1va6 n THR 53 Cb 0.11 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.50 1va6 n THR 53 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1va6 n HIS 54 N -0.24 2.87 -0.11 4.78 -0.00 -0.54 -4.84 115.22 117.14 1va6 n HIS 54 Ca 0.00 0.36 -0.13 0.00 0.46 0.00 0.00 57.72 58.41 1va6 n HIS 54 Cb 0.04 -2.56 -0.03 0.00 -0.12 0.00 0.00 29.99 27.33 1va6 n HIS 54 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 1va6 h LYS 55 N 3.81 0.79 0.00 1.57 1.57 -1.91 -3.41 116.57 119.00 1va6 h LYS 55 Ca -0.49 -0.39 -0.22 0.00 -1.87 0.00 0.00 60.65 57.68 1va6 h LYS 55 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 1va6 h LYS 55 CO 0.71 1.02 -1.82 0.91 -0.57 0.00 0.00 179.45 179.70 1va6 n TRP 56 N -4.22 0.00 -4.28 -1.35 8.01 -1.26 -4.84 117.44 109.49 1va6 n TRP 56 Ca -0.03 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 55.98 1va6 n TRP 56 Cb 0.47 -0.58 -0.15 0.00 -2.01 0.00 0.00 31.31 29.04 1va6 n TRP 56 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1va6 s ILE 57 N -2.29 0.61 0.00 -0.99 1.01 -1.26 0.38 121.20 118.65 1va6 s ILE 57 Ca -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1va6 s ILE 57 Cb 0.04 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1va6 s ILE 57 CO 0.43 0.19 0.00 1.07 0.00 0.00 0.00 174.94 176.63 1va6 n THR 58 N 3.13 0.00 -4.28 2.92 5.66 -0.48 -4.55 114.28 116.67 1va6 n THR 58 Ca -0.16 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.62 1va6 n THR 58 Cb 0.56 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.22 1va6 n THR 58 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1va6 s THR 59 N -2.93 1.65 0.00 1.09 -4.23 -1.26 -1.28 115.64 108.68 1va6 s THR 59 Ca 0.00 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1va6 s THR 59 Cb 0.00 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.27 1va6 s THR 59 CO 0.00 -0.16 0.00 -0.67 -0.54 0.00 0.00 174.62 173.25 1va6 n ASP 60 N 0.89 0.00 -0.01 3.99 2.03 -0.34 -4.82 116.55 118.28 1va6 n ASP 60 Ca -0.18 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.00 1va6 n ASP 60 Cb 0.55 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.86 1va6 n ASP 60 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1va6 h PHE 61 N 0.00 0.08 -2.16 -0.67 3.57 -1.82 -3.42 116.94 112.52 1va6 h PHE 61 Ca 0.00 -0.02 -0.50 0.00 3.53 0.00 0.00 57.97 60.98 1va6 h PHE 61 Cb 0.00 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1va6 h PHE 61 CO 0.00 0.43 -0.51 0.00 -2.23 0.00 0.00 178.31 176.01 1va6 s ALA 62 N -4.68 3.65 0.20 2.41 0.00 -1.26 -1.66 121.76 120.42 1va6 s ALA 62 Ca -0.15 -1.42 0.17 0.00 0.00 0.00 0.00 51.96 50.56 1va6 s ALA 62 Cb 0.03 -1.34 0.60 0.00 0.00 0.00 0.00 23.12 22.40 1va6 s ALA 62 CO 0.69 0.23 1.70 1.49 0.00 0.00 0.00 175.76 179.86 1va6 h GLU 63 N 1.43 0.00 -0.01 0.00 4.57 -1.41 -1.48 114.58 117.68 1va6 h GLU 63 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1va6 h GLU 63 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1va6 h GLU 63 CO 0.60 0.44 -0.13 0.00 -1.18 0.00 0.00 179.01 178.74 1va6 n ALA 64 N -2.33 2.83 -3.04 2.92 0.00 -1.26 -4.30 120.51 115.32 1va6 n ALA 64 Ca -0.00 -0.34 -0.44 0.00 0.00 0.00 0.00 53.44 52.65 1va6 n ALA 64 Cb 0.53 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 1va6 n ALA 64 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1va6 s LEU 65 N -2.36 5.45 0.76 0.00 2.96 -0.56 -0.56 118.68 124.36 1va6 s LEU 65 Ca 0.30 -2.67 -0.15 0.00 -0.22 0.00 0.00 54.13 51.39 1va6 s LEU 65 Cb 0.20 -2.35 0.05 0.00 0.50 0.00 0.00 46.19 44.59 1va6 s LEU 65 CO 0.46 -0.78 1.23 -0.76 -1.32 0.00 0.00 176.35 175.18 1va6 s LEU 66 N 1.45 3.27 -0.03 -0.68 1.43 0.25 -1.20 118.68 123.16 1va6 s LEU 66 Ca 0.34 2.45 -0.01 0.00 -1.03 0.00 0.00 54.13 55.88 1va6 s LEU 66 Cb -0.05 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.60 1va6 s LEU 66 CO -0.06 -2.47 0.04 -0.70 0.23 0.00 0.00 176.35 173.40 1va6 s GLU 67 N -3.90 -0.02 -0.16 1.70 2.12 -0.41 -1.83 118.70 116.20 1va6 s GLU 67 Ca 0.76 0.27 -0.08 0.00 0.36 0.00 0.00 54.97 56.28 1va6 s GLU 67 Cb -0.31 -0.40 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 1va6 s GLU 67 CO 0.47 -0.24 0.10 -0.06 -0.54 0.00 0.00 175.26 174.98 1va6 s PHE 68 N 1.58 3.37 -0.11 5.30 0.08 0.72 -1.39 117.98 127.53 1va6 s PHE 68 Ca -0.02 0.27 -0.01 0.00 0.12 0.00 0.00 56.93 57.29 1va6 s PHE 68 Cb -0.13 -2.04 0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1va6 s PHE 68 CO -0.03 0.37 -0.04 0.42 -0.10 0.00 0.00 175.22 175.83 1va6 s ILE 69 N -0.09 0.82 0.22 0.64 1.01 0.16 -1.15 121.20 122.81 1va6 s ILE 69 Ca 0.08 -0.22 -0.27 0.00 0.00 0.00 0.00 60.65 60.25 1va6 s ILE 69 Cb -0.12 -0.92 -0.09 0.00 0.01 0.00 0.00 42.46 41.34 1va6 s ILE 69 CO 0.01 0.28 0.85 0.42 0.00 0.00 0.00 174.94 176.49 1va6 s THR 70 N 1.79 4.26 0.38 2.92 -4.23 -0.63 -4.48 115.64 115.65 1va6 s THR 70 Ca 0.04 1.82 -0.26 0.00 -1.18 0.00 0.00 61.69 62.11 1va6 s THR 70 Cb -0.13 -4.16 -0.09 0.00 1.34 0.00 0.00 72.50 69.46 1va6 s THR 70 CO -0.07 0.44 1.15 -2.16 -0.54 0.00 0.00 174.62 173.44 1va6 s PRO 71 N -1.35 4.16 0.25 3.99 0.04 -1.26 -4.29 135.00 136.54 1va6 s PRO 71 Ca 0.40 1.81 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 1va6 s PRO 71 Cb -0.23 -2.75 -0.14 0.00 0.04 0.00 0.00 34.50 31.43 1va6 s PRO 71 CO 0.27 -0.22 1.30 1.55 0.04 0.00 0.00 177.00 179.94 1va6 n VAL 72 N 0.24 1.22 -3.58 -0.36 3.14 -1.26 -4.87 118.33 112.85 1va6 n VAL 72 Ca 0.03 -0.30 -0.12 0.00 -2.96 0.00 0.00 64.34 60.99 1va6 n VAL 72 Cb 0.46 -1.31 -0.04 0.00 -1.06 0.00 0.00 33.84 31.89 1va6 n VAL 72 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1va6 s ASP 73 N 0.05 -0.35 0.00 6.55 2.15 -0.24 -4.94 116.67 119.89 1va6 s ASP 73 Ca 0.66 -0.11 0.09 0.00 0.43 0.00 0.00 52.55 53.62 1va6 s ASP 73 Cb -0.68 0.50 0.13 0.00 -0.30 0.00 0.00 42.92 42.56 1va6 s ASP 73 CO 0.53 -0.82 0.91 0.61 -0.17 0.00 0.00 175.17 176.23 1va6 n GLY 74 N -0.03 0.46 3.37 2.66 0.00 -1.26 0.20 105.19 110.58 1va6 n GLY 74 Ca -0.17 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1va6 n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1va6 s ASP 75 N -0.83 4.66 0.06 1.61 -1.08 -1.26 -4.90 116.67 114.93 1va6 s ASP 75 Ca 0.13 -0.31 -0.27 0.00 -0.52 0.00 0.00 52.55 51.59 1va6 s ASP 75 Cb 0.08 -1.82 -0.17 0.00 -1.46 0.00 0.00 42.92 39.56 1va6 s ASP 75 CO 0.12 -0.02 1.56 0.40 0.52 0.00 0.00 175.17 177.74 1va6 h ILE 76 N 5.62 0.76 -0.40 4.11 2.04 -1.98 -1.00 117.51 126.65 1va6 h ILE 76 Ca -0.40 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1va6 h ILE 76 Cb 1.17 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1va6 h ILE 76 CO 0.59 0.05 0.26 -0.33 0.00 0.00 0.00 178.15 178.72 1va6 h GLU 77 N -0.48 0.54 -0.15 2.37 3.07 -1.99 -0.47 114.58 117.47 1va6 h GLU 77 Ca -0.04 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1va6 h GLU 77 Cb 0.36 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 1va6 h GLU 77 CO 0.06 0.37 -0.05 1.25 -1.40 0.00 0.00 179.01 179.24 1va6 h HIS 78 N 0.54 -0.12 -0.51 4.33 2.76 -1.97 0.94 115.15 121.12 1va6 h HIS 78 Ca 0.15 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.37 1va6 h HIS 78 Cb -0.04 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 1va6 h HIS 78 CO -0.04 -0.09 0.27 1.98 -1.30 0.00 0.00 177.93 178.75 1va6 h MET 79 N -0.03 0.51 -0.18 5.26 1.85 -0.69 0.24 114.93 121.89 1va6 h MET 79 Ca 0.08 -0.03 -0.13 0.00 -0.61 0.00 0.00 59.70 59.01 1va6 h MET 79 Cb 0.14 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 1va6 h MET 79 CO -0.17 0.34 -0.44 -0.07 -0.40 0.00 0.00 176.91 176.16 1va6 h LEU 80 N 0.52 0.47 -0.42 3.39 3.38 -0.81 -0.82 115.31 121.02 1va6 h LEU 80 Ca 0.22 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1va6 h LEU 80 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1va6 h LEU 80 CO -0.14 0.85 -0.10 0.74 0.09 0.00 0.00 178.44 179.88 1va6 h THR 81 N 0.36 1.27 -0.70 0.22 2.02 -0.49 -1.48 112.91 114.11 1va6 h THR 81 Ca 0.03 -1.20 0.05 0.00 0.77 0.00 0.00 66.41 66.05 1va6 h THR 81 Cb 0.93 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 68.47 1va6 h THR 81 CO 0.08 0.41 0.42 0.15 0.37 0.00 0.00 175.52 176.94 1va6 h PHE 82 N 0.63 0.78 -0.74 3.16 3.04 -0.25 -1.05 116.94 122.51 1va6 h PHE 82 Ca 0.11 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 1va6 h PHE 82 Cb 0.63 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.86 1va6 h PHE 82 CO 0.05 0.41 0.46 1.98 -2.02 0.00 0.00 178.31 179.19 1va6 h MET 83 N 0.79 1.00 -0.48 1.11 4.05 -0.94 -2.55 114.93 117.91 1va6 h MET 83 Ca 0.30 -0.08 -0.09 0.00 -0.28 0.00 0.00 59.70 59.55 1va6 h MET 83 Cb 0.11 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1va6 h MET 83 CO -0.15 0.69 -0.06 -0.09 0.23 0.00 0.00 176.91 177.54 1va6 h ARG 84 N 1.01 0.84 -0.64 0.39 2.43 -0.80 -2.15 114.38 115.46 1va6 h ARG 84 Ca 0.27 -0.26 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1va6 h ARG 84 Cb -0.06 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 1va6 h ARG 84 CO -0.05 0.88 0.35 -0.44 -1.51 0.00 0.00 179.97 179.19 1va6 h ASP 85 N 0.77 0.52 -0.72 -3.80 5.19 -0.91 0.18 116.42 117.65 1va6 h ASP 85 Ca 0.14 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1va6 h ASP 85 Cb 0.54 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 1va6 h ASP 85 CO 0.03 0.34 0.38 -0.07 -3.12 0.00 0.00 179.24 176.80 1va6 h LEU 86 N 0.65 0.92 -0.02 1.55 3.38 -1.03 -1.75 115.31 119.02 1va6 h LEU 86 Ca 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1va6 h LEU 86 Cb 0.18 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1va6 h LEU 86 CO -0.18 0.76 -0.01 0.45 0.09 0.00 0.00 178.44 179.56 1va6 h HIS 87 N 1.03 0.04 -0.79 1.13 3.86 -0.78 -2.73 115.15 116.91 1va6 h HIS 87 Ca 0.26 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.62 1va6 h HIS 87 Cb 0.06 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.42 1va6 h HIS 87 CO 0.01 0.46 0.30 0.00 0.86 0.00 0.00 177.93 179.57 1va6 h ARG 88 N -0.39 0.40 -0.07 2.45 3.08 -0.36 0.44 114.38 119.94 1va6 h ARG 88 Ca 0.00 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.79 1va6 h ARG 88 Cb 0.45 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.43 1va6 h ARG 88 CO 0.00 0.26 -0.90 -0.92 -1.07 0.00 0.00 179.97 177.34 1va6 h TYR 89 N 0.41 0.97 -0.21 3.04 3.20 -1.35 -2.94 116.97 120.10 1va6 h TYR 89 Ca 0.45 -0.48 -0.17 0.00 3.14 0.00 0.00 58.73 61.67 1va6 h TYR 89 Cb 0.73 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1va6 h TYR 89 CO -0.18 1.31 -0.54 1.15 -1.64 0.00 0.00 178.16 178.26 1va6 h THR 90 N 0.43 1.31 0.00 1.81 2.02 -1.07 -2.73 112.91 114.68 1va6 h THR 90 Ca -0.09 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1va6 h THR 90 Cb 1.54 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1va6 h THR 90 CO 0.18 0.56 0.00 0.00 0.37 0.00 0.00 175.52 176.62 1va6 h ALA 91 N 0.91 1.00 -0.13 6.16 0.00 -0.90 -1.94 119.26 124.36 1va6 h ALA 91 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1va6 h ALA 91 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1va6 h ALA 91 CO 0.11 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.90 1va6 n ARG 92 N -3.06 2.31 -1.78 0.00 1.74 -1.05 -4.45 116.66 110.37 1va6 n ARG 92 Ca -0.01 -1.92 0.01 0.00 -0.77 0.00 0.00 57.85 55.17 1va6 n ARG 92 Cb 0.23 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.24 1va6 n ARG 92 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1va6 n ASN 93 N 1.26 1.49 -1.51 0.55 3.02 -0.75 -4.77 115.26 114.56 1va6 n ASN 93 Ca 0.16 -2.36 0.02 0.00 -0.03 0.00 0.00 54.58 52.38 1va6 n ASN 93 Cb 0.57 -0.38 0.07 0.00 -0.61 0.00 0.00 39.78 39.43 1va6 n ASN 93 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1va6 n MET 94 N -0.07 0.82 0.00 3.52 0.00 -1.10 -4.79 117.12 115.50 1va6 n MET 94 Ca 0.10 -2.64 0.00 0.00 0.00 0.00 0.00 57.70 55.16 1va6 n MET 94 Cb 0.99 -0.74 0.00 0.00 0.00 0.00 0.00 33.22 33.47 1va6 n MET 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1va6 n GLY 95 N -0.10 3.06 0.66 3.17 0.00 -1.26 -1.80 105.19 108.92 1va6 n GLY 95 Ca 0.11 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.48 1va6 n GLY 95 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1va6 n ASP 96 N 9.06 2.74 -4.76 1.61 2.03 -1.26 -4.96 116.55 121.01 1va6 n ASP 96 Ca 0.00 -1.85 -0.30 0.00 0.52 0.00 0.00 54.79 53.16 1va6 n ASP 96 Cb 0.00 -0.18 0.12 0.00 -0.72 0.00 0.00 41.12 40.34 1va6 n ASP 96 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1va6 s GLU 97 N -1.02 1.57 0.26 -0.67 2.02 -0.74 -4.37 118.70 115.75 1va6 s GLU 97 Ca 0.23 0.69 -0.08 0.00 0.02 0.00 0.00 54.97 55.83 1va6 s GLU 97 Cb 0.13 -1.85 -0.01 0.00 0.10 0.00 0.00 34.13 32.49 1va6 s GLU 97 CO 0.17 -1.99 0.42 -0.98 0.02 0.00 0.00 175.26 172.90 1va6 s ARG 98 N -5.05 1.58 0.15 1.61 3.03 0.16 -4.92 118.95 115.49 1va6 s ARG 98 Ca 0.62 -1.43 -0.08 0.00 2.03 0.00 0.00 55.73 56.87 1va6 s ARG 98 Cb -0.16 0.43 -0.06 0.00 -1.03 0.00 0.00 34.95 34.13 1va6 s ARG 98 CO 0.56 -0.64 0.44 -1.64 -1.13 0.00 0.00 175.30 172.89 1va6 s MET 99 N -3.80 3.73 -0.00 3.89 -1.94 -1.26 -0.46 119.30 119.46 1va6 s MET 99 Ca 0.27 0.13 -0.30 0.00 -1.71 0.00 0.00 55.69 54.08 1va6 s MET 99 Cb 0.01 -2.85 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 1va6 s MET 99 CO 0.12 0.46 1.03 -0.46 -0.01 0.00 0.00 175.02 176.15 1va6 s TRP 100 N -1.60 3.59 -2.18 -0.03 -0.00 -0.31 -4.50 118.94 113.91 1va6 s TRP 100 Ca 0.40 1.61 0.29 0.00 -0.00 0.00 0.00 56.10 58.40 1va6 s TRP 100 Cb -0.13 -3.19 1.26 0.00 -0.00 0.00 0.00 33.47 31.42 1va6 s TRP 100 CO 0.21 -0.28 1.87 -0.35 -0.00 0.00 0.00 176.95 178.40 1va6 n PRO 101 N 4.05 1.28 -4.39 5.86 -0.04 -1.26 -4.52 135.00 135.98 1va6 n PRO 101 Ca 0.07 -0.57 -0.20 0.00 -0.04 0.00 0.00 63.50 62.75 1va6 n PRO 101 Cb 0.50 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 1va6 n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1va6 s LEU 102 N -2.12 2.52 0.03 1.53 1.43 -1.26 -3.94 118.68 116.88 1va6 s LEU 102 Ca 0.38 -1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.15 1va6 s LEU 102 Cb 0.21 -0.69 -0.16 0.00 0.03 0.00 0.00 46.19 45.58 1va6 s LEU 102 CO 0.38 -0.23 1.46 0.28 0.23 0.00 0.00 176.35 178.47 1va6 h SER 103 N 2.41 0.10 -3.49 2.29 0.02 -1.81 -3.43 113.55 109.63 1va6 h SER 103 Ca -0.39 -0.31 -0.53 0.00 -0.84 0.00 0.00 61.79 59.72 1va6 h SER 103 Cb 1.23 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1va6 h SER 103 CO 0.64 0.39 0.22 -0.04 -1.14 0.00 0.00 176.83 176.90 1va6 s MET 104 N -4.96 4.57 0.48 3.45 -1.94 -1.26 -1.13 119.30 118.52 1va6 s MET 104 Ca -0.15 1.19 -0.24 0.00 -1.71 0.00 0.00 55.69 54.79 1va6 s MET 104 Cb 0.04 -3.35 -0.07 0.00 2.01 0.00 0.00 34.83 33.46 1va6 s MET 104 CO 0.69 0.32 1.40 -2.30 -0.01 0.00 0.00 175.02 175.11 1va6 n PRO 105 N 2.57 2.05 -0.06 2.03 -0.02 -1.26 -4.94 135.00 135.38 1va6 n PRO 105 Ca -0.02 0.74 -0.07 0.00 -2.02 0.00 0.00 63.50 62.13 1va6 n PRO 105 Cb 0.50 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 1va6 n PRO 105 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1va6 n SER 106 N -0.42 2.75 -2.45 2.55 7.64 -1.26 -4.50 113.62 117.94 1va6 n SER 106 Ca 0.07 -0.04 -0.26 0.00 1.01 0.00 0.00 58.87 59.65 1va6 n SER 106 Cb 0.42 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1va6 n SER 106 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1va6 n TYR 107 N -2.64 3.26 -3.94 1.43 4.01 -1.26 -4.80 117.16 113.22 1va6 n TYR 107 Ca -0.20 -3.02 -0.29 0.00 -0.16 0.00 0.00 57.90 54.23 1va6 n TYR 107 Cb 0.79 -0.12 -0.16 0.00 -0.31 0.00 0.00 39.34 39.54 1va6 n TYR 107 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1va6 s ILE 108 N -5.35 1.28 0.57 -0.72 1.01 -1.26 -4.48 121.20 112.25 1va6 s ILE 108 Ca 0.47 -0.65 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 1va6 s ILE 108 Cb 0.40 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 1va6 s ILE 108 CO -0.16 0.23 1.02 0.00 0.00 0.00 0.00 174.94 176.03 1va6 s ALA 109 N 1.57 2.93 0.44 9.38 0.00 -1.26 -4.81 121.76 130.01 1va6 s ALA 109 Ca 0.02 0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 1va6 s ALA 109 Cb -0.15 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1va6 s ALA 109 CO -0.08 -0.56 1.25 -2.00 0.00 0.00 0.00 175.76 174.37 1va6 s GLU 110 N -4.26 3.82 0.00 0.00 2.56 -1.26 -2.46 118.70 117.10 1va6 s GLU 110 Ca 0.60 2.01 0.00 0.00 0.00 0.00 0.00 54.97 57.58 1va6 s GLU 110 Cb -0.12 -2.59 0.00 0.00 2.00 0.00 0.00 34.13 33.42 1va6 s GLU 110 CO 0.37 -0.57 0.00 0.41 -0.56 0.00 0.00 175.26 174.92 1va6 n GLY 111 N 0.61 1.11 3.60 -1.50 0.00 -1.26 -4.96 105.19 102.80 1va6 n GLY 111 Ca 0.06 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.56 1va6 n GLY 111 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1va6 n GLN 112 N -2.00 1.23 -1.90 1.61 7.27 -1.03 -4.79 117.38 117.78 1va6 n GLN 112 Ca 0.00 0.44 -0.42 0.00 0.07 0.00 0.00 57.00 57.09 1va6 n GLN 112 Cb 0.00 -2.10 -0.03 0.00 2.41 0.00 0.00 30.24 30.52 1va6 n GLN 112 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1va6 s ASP 113 N 0.67 5.65 -0.15 1.69 -1.08 -1.26 -4.91 116.67 117.28 1va6 s ASP 113 Ca 0.85 1.31 0.02 0.00 -0.52 0.00 0.00 52.55 54.20 1va6 s ASP 113 Cb -0.94 -2.52 0.02 0.00 -1.46 0.00 0.00 42.92 38.02 1va6 s ASP 113 CO 0.47 -1.90 -0.19 -0.63 0.52 0.00 0.00 175.17 173.44 1va6 s ILE 114 N 7.74 1.87 0.05 4.11 1.01 -1.26 -5.08 121.20 129.63 1va6 s ILE 114 Ca 0.84 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 1va6 s ILE 114 Cb -0.23 -1.69 -0.08 0.00 0.01 0.00 0.00 42.46 40.47 1va6 s ILE 114 CO 0.32 0.51 1.82 -0.70 0.00 0.00 0.00 174.94 176.89 1va6 s GLU 115 N 1.10 4.16 0.85 2.79 2.12 -1.26 -4.98 118.70 123.48 1va6 s GLU 115 Ca -0.02 2.48 -0.12 0.00 0.36 0.00 0.00 54.97 57.68 1va6 s GLU 115 Cb -0.14 -3.90 0.11 0.00 0.26 0.00 0.00 34.13 30.46 1va6 s GLU 115 CO -0.06 -0.87 1.17 -0.51 -0.54 0.00 0.00 175.26 174.44 1va6 s LEU 116 N 3.67 3.00 0.19 2.70 1.43 -1.26 -1.72 118.68 126.69 1va6 s LEU 116 Ca 0.81 2.25 -0.31 0.00 -1.03 0.00 0.00 54.13 55.85 1va6 s LEU 116 Cb -0.41 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.13 1va6 s LEU 116 CO 0.36 -2.82 1.55 0.00 0.23 0.00 0.00 176.35 175.67 1va6 s ALA 117 N -2.43 3.75 -0.16 4.21 0.00 -0.67 -3.68 121.76 122.78 1va6 s ALA 117 Ca 0.69 1.38 -0.07 0.00 0.00 0.00 0.00 51.96 53.97 1va6 s ALA 117 Cb -0.25 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 1va6 s ALA 117 CO 0.54 -0.79 0.07 -0.65 0.00 0.00 0.00 175.76 174.93 1va6 s GLN 118 N 0.71 3.80 -0.20 0.00 -1.52 -1.26 -4.48 119.66 116.70 1va6 s GLN 118 Ca 0.67 -0.30 0.16 0.00 -1.95 0.00 0.00 55.36 53.94 1va6 s GLN 118 Cb -0.44 -3.18 0.45 0.00 -0.22 0.00 0.00 33.01 29.62 1va6 s GLN 118 CO 0.35 0.41 1.18 0.66 -0.25 0.00 0.00 175.29 177.63 1va6 n TYR 119 N 3.12 1.10 -4.92 0.91 4.01 -1.26 -4.85 117.16 115.28 1va6 n TYR 119 Ca -0.17 -1.65 0.00 0.00 -0.16 0.00 0.00 57.90 55.91 1va6 n TYR 119 Cb 0.53 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1va6 n TYR 119 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1va6 n GLY 120 N -0.55 -0.23 0.41 2.72 0.00 -1.26 -4.29 105.19 101.99 1va6 n GLY 120 Ca 0.21 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1va6 n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1va6 n THR 121 N -1.03 0.00 -0.91 2.61 -2.24 -1.26 -3.94 114.28 107.51 1va6 n THR 121 Ca 0.00 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 1va6 n THR 121 Cb 0.00 0.70 0.12 0.00 -2.10 0.00 0.00 70.33 69.05 1va6 n THR 121 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1va6 n SER 122 N -0.17 -0.94 -0.08 3.42 3.41 -1.26 -4.78 113.62 113.22 1va6 n SER 122 Ca 0.13 0.44 -0.05 0.00 -0.26 0.00 0.00 58.87 59.13 1va6 n SER 122 Cb 0.40 -1.31 0.16 0.00 -0.26 0.00 0.00 64.21 63.20 1va6 n SER 122 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1va6 h ASN 123 N -1.29 0.71 -0.28 4.04 2.35 -1.92 -0.81 115.58 118.38 1va6 h ASN 123 Ca -0.44 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.02 1va6 h ASN 123 Cb 1.29 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1va6 h ASN 123 CO 0.39 0.83 -0.18 0.74 -1.65 0.00 0.00 177.43 177.55 1va6 h THR 124 N 0.67 1.30 -0.73 2.81 2.02 -1.95 -1.68 112.91 115.35 1va6 h THR 124 Ca 0.12 -1.31 0.05 0.00 0.77 0.00 0.00 66.41 66.05 1va6 h THR 124 Cb 0.53 1.55 -0.05 0.00 -1.74 0.00 0.00 68.15 68.43 1va6 h THR 124 CO 0.03 0.41 0.44 1.23 0.37 0.00 0.00 175.52 178.00 1va6 h GLY 125 N 0.35 1.07 1.16 2.16 0.00 -1.68 -1.79 103.07 104.34 1va6 h GLY 125 Ca 0.06 -0.32 -0.24 0.00 0.00 0.00 0.00 47.33 46.83 1va6 h GLY 125 CO 0.05 0.22 -0.91 3.21 0.00 0.00 0.00 176.54 179.12 1va6 h ARG 126 N 0.82 0.72 -0.96 4.80 3.08 -1.18 -2.28 114.38 119.38 1va6 h ARG 126 Ca 0.31 -0.69 0.18 0.00 0.07 0.00 0.00 59.98 59.85 1va6 h ARG 126 Cb 0.13 0.18 -0.09 0.00 0.08 0.00 0.00 29.97 30.27 1va6 h ARG 126 CO -0.16 1.28 0.61 0.35 -1.07 0.00 0.00 179.97 180.98 1va6 h PHE 127 N 0.41 0.87 0.17 3.04 3.57 -1.16 -0.36 116.94 123.48 1va6 h PHE 127 Ca -0.10 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.15 1va6 h PHE 127 Cb 1.56 -0.27 0.03 0.00 2.79 0.00 0.00 35.95 40.06 1va6 h PHE 127 CO 0.10 0.24 -1.19 0.87 -2.23 0.00 0.00 178.31 176.11 1va6 h LYS 128 N 0.67 0.51 -0.13 1.11 1.57 -1.19 -1.12 116.57 117.99 1va6 h LYS 128 Ca 0.52 -0.77 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1va6 h LYS 128 Cb 0.91 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1va6 h LYS 128 CO -0.28 1.36 -0.12 1.15 -0.57 0.00 0.00 179.45 180.99 1va6 h THR 129 N 0.05 1.17 -0.01 -0.16 2.02 -1.25 -2.39 112.91 112.34 1va6 h THR 129 Ca -0.20 -0.73 -0.16 0.00 0.77 0.00 0.00 66.41 66.10 1va6 h THR 129 Cb 1.91 1.21 0.01 0.00 -1.74 0.00 0.00 68.15 69.53 1va6 h THR 129 CO 0.23 0.23 -0.62 0.25 0.37 0.00 0.00 175.52 175.97 1va6 h LEU 130 N 0.20 0.56 -0.77 2.58 5.85 -0.98 -1.56 115.31 121.19 1va6 h LEU 130 Ca 0.04 -0.75 0.17 0.00 0.84 0.00 0.00 57.88 58.17 1va6 h LEU 130 Cb 0.35 -0.17 -0.14 0.00 0.37 0.00 0.00 40.66 41.07 1va6 h LEU 130 CO 0.02 1.24 -0.10 0.22 -0.34 0.00 0.00 178.44 179.48 1va6 h TYR 131 N -0.07 -0.24 -0.60 1.25 3.20 -1.03 0.36 116.97 119.84 1va6 h TYR 131 Ca -0.08 0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 1va6 h TYR 131 Cb 1.33 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.80 1va6 h TYR 131 CO 0.14 -0.30 -0.01 0.00 -1.64 0.00 0.00 178.16 176.36 1va6 h ARG 132 N 0.04 1.07 -0.63 1.82 3.08 -1.35 -0.23 114.38 118.17 1va6 h ARG 132 Ca 0.40 -0.34 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1va6 h ARG 132 Cb 0.66 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 1va6 h ARG 132 CO -0.74 1.04 0.34 1.49 -1.07 0.00 0.00 179.97 181.03 1va6 h GLU 133 N 0.97 0.60 -0.91 0.04 4.57 -0.43 -0.83 114.58 118.59 1va6 h GLU 133 Ca 0.17 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1va6 h GLU 133 Cb 0.57 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 1va6 h GLU 133 CO 0.03 0.40 0.51 0.78 -1.18 0.00 0.00 179.01 179.55 1va6 h GLY 134 N 0.62 1.35 1.17 1.92 0.00 -0.52 -2.24 103.07 105.37 1va6 h GLY 134 Ca 0.29 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1va6 h GLY 134 CO -0.19 0.58 0.09 1.41 0.00 0.00 0.00 176.54 178.42 1va6 h LEU 135 N 1.27 0.97 -0.63 3.11 3.38 -0.26 -1.45 115.31 121.70 1va6 h LEU 135 Ca 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1va6 h LEU 135 Cb 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1va6 h LEU 135 CO -0.05 0.97 0.35 0.50 0.09 0.00 0.00 178.44 180.30 1va6 h LYS 136 N 0.95 0.88 0.00 1.13 3.64 -0.79 0.11 116.57 122.49 1va6 h LYS 136 Ca 0.19 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 1va6 h LYS 136 Cb 0.42 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1va6 h LYS 136 CO 0.01 0.66 -0.51 -0.91 -2.27 0.00 0.00 179.45 176.44 1va6 h ASN 137 N 0.86 0.00 0.00 4.20 2.35 -1.15 -0.37 115.58 121.46 1va6 h ASN 137 Ca 0.22 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.86 1va6 h ASN 137 Cb 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1va6 h ASN 137 CO -0.04 0.51 -0.69 0.03 -1.65 0.00 0.00 177.43 175.59 1va6 h ARG 138 N 0.00 0.00 0.00 0.81 3.08 -0.88 -3.42 114.38 113.97 1va6 h ARG 138 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1va6 h ARG 138 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1va6 h ARG 138 CO 0.07 0.83 -1.22 0.66 -1.07 0.00 0.00 179.97 179.24 1va6 n TYR 139 N -4.53 0.00 0.00 3.04 4.01 0.35 -5.10 117.16 114.93 1va6 n TYR 139 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1va6 n TYR 139 Cb 0.53 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1va6 n TYR 139 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1va6 n GLY 140 N 1.62 -1.03 0.33 2.72 0.00 -0.15 -4.60 105.19 104.08 1va6 n GLY 140 Ca -0.01 -1.38 0.03 0.00 0.00 0.00 0.00 46.02 44.66 1va6 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va6 h ALA 141 N 0.00 1.61 0.23 4.61 0.00 -1.85 -3.12 119.26 120.73 1va6 h ALA 141 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1va6 h ALA 141 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1va6 h ALA 141 CO 0.00 0.35 -0.17 1.25 0.00 0.00 0.00 179.25 180.69 1va6 h LEU 142 N 0.77 -0.44 -1.35 0.00 5.85 -1.87 -1.88 115.31 116.39 1va6 h LEU 142 Ca 0.22 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1va6 h LEU 142 Cb -0.05 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1va6 h LEU 142 CO -0.05 -0.27 0.47 -0.03 -0.34 0.00 0.00 178.44 178.22 1va6 h MET 143 N -0.40 0.80 0.00 1.25 4.05 -1.80 -1.41 114.93 117.42 1va6 h MET 143 Ca -0.01 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1va6 h MET 143 Cb 0.35 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1va6 h MET 143 CO -0.00 0.53 0.00 1.04 0.23 0.00 0.00 176.91 178.71 1va6 n GLN 144 N -4.46 0.40 0.00 0.39 1.13 -0.78 -1.28 117.38 112.77 1va6 n GLN 144 Ca 0.09 0.01 0.14 0.00 -1.94 0.00 0.00 57.00 55.30 1va6 n GLN 144 Cb 0.15 -1.50 0.55 0.00 0.11 0.00 0.00 30.24 29.55 1va6 n GLN 144 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1va6 n THR 145 N -1.30 0.00 -2.12 5.09 -2.24 -0.53 -4.64 114.28 108.54 1va6 n THR 145 Ca 0.14 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1va6 n THR 145 Cb 0.24 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1va6 n THR 145 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1va6 s ILE 146 N -2.28 3.36 0.04 2.28 1.01 -0.41 -4.63 121.20 120.57 1va6 s ILE 146 Ca 0.33 0.86 0.02 0.00 0.00 0.00 0.00 60.65 61.86 1va6 s ILE 146 Cb 0.20 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1va6 s ILE 146 CO 0.43 0.02 0.05 -0.94 0.00 0.00 0.00 174.94 174.50 1va6 s SER 147 N 1.70 5.39 0.23 3.58 1.04 -0.28 -5.05 113.70 120.30 1va6 s SER 147 Ca 0.67 0.00 -0.09 0.00 0.48 0.00 0.00 55.95 57.01 1va6 s SER 147 Cb -0.36 -1.44 -0.02 0.00 0.10 0.00 0.00 66.02 64.31 1va6 s SER 147 CO 0.29 0.22 0.36 -0.83 0.98 0.00 0.00 173.24 174.26 1va6 s GLY 148 N -2.02 0.84 -0.11 7.32 0.00 -1.26 -4.28 107.32 107.79 1va6 s GLY 148 Ca 0.25 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1va6 s GLY 148 CO 0.17 -0.89 -0.13 0.14 0.00 0.00 0.00 173.10 172.38 1va6 s VAL 149 N -4.06 3.05 -0.15 1.40 1.01 -0.04 -2.34 120.40 119.27 1va6 s VAL 149 Ca 0.28 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 1va6 s VAL 149 Cb 0.02 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1va6 s VAL 149 CO 0.10 0.54 -0.04 -1.00 0.00 0.00 0.00 175.10 174.70 1va6 s HIS 150 N 0.14 3.03 -0.26 5.22 3.76 0.08 -3.55 115.29 123.71 1va6 s HIS 150 Ca -0.07 -0.26 -0.08 0.00 -0.15 0.00 0.00 55.06 54.50 1va6 s HIS 150 Cb -0.15 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.57 1va6 s HIS 150 CO 0.05 0.00 0.09 -0.47 -0.85 0.00 0.00 174.74 173.56 1va6 s TYR 151 N 0.27 3.11 -0.19 1.40 5.04 0.52 -1.41 117.35 126.09 1va6 s TYR 151 Ca -0.03 -0.40 -0.04 0.00 -2.44 0.00 0.00 57.07 54.15 1va6 s TYR 151 Cb -0.14 -2.27 -0.02 0.00 0.35 0.00 0.00 41.96 39.88 1va6 s TYR 151 CO 0.03 -0.36 -0.02 -0.80 -1.34 0.00 0.00 175.55 173.06 1va6 s ASN 152 N 1.63 4.71 -0.01 4.32 0.01 0.47 -0.19 114.94 125.88 1va6 s ASN 152 Ca 0.06 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 1va6 s ASN 152 Cb -0.16 -1.80 0.01 0.00 0.41 0.00 0.00 41.25 39.72 1va6 s ASN 152 CO 0.05 0.08 -0.01 0.12 -1.51 0.00 0.00 177.10 175.83 1va6 s PHE 153 N 0.92 0.13 -0.01 2.20 2.19 -0.69 -1.19 117.98 121.52 1va6 s PHE 153 Ca 0.00 0.00 0.01 0.00 0.33 0.00 0.00 56.93 57.27 1va6 s PHE 153 Cb -0.14 -0.14 0.01 0.00 -1.31 0.00 0.00 43.02 41.43 1va6 s PHE 153 CO 0.02 -0.03 -0.01 -1.54 1.83 0.00 0.00 175.22 175.48 1va6 s SER 154 N 0.26 0.29 0.54 6.13 1.04 -0.89 -1.46 113.70 119.62 1va6 s SER 154 Ca -0.02 -0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.21 1va6 s SER 154 Cb -0.04 -0.09 -0.06 0.00 0.10 0.00 0.00 66.02 65.93 1va6 s SER 154 CO -0.01 -0.02 1.03 -0.76 0.98 0.00 0.00 173.24 174.46 1va6 s LEU 155 N 0.32 3.61 0.63 2.42 1.43 -1.26 -1.78 118.68 124.05 1va6 s LEU 155 Ca -0.03 1.75 -0.16 0.00 -1.03 0.00 0.00 54.13 54.66 1va6 s LEU 155 Cb -0.05 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 1va6 s LEU 155 CO -0.01 -0.89 1.11 -2.16 0.23 0.00 0.00 176.35 174.63 1va6 s PRO 156 N -3.90 2.96 0.55 1.29 0.04 -1.26 -4.87 135.00 129.81 1va6 s PRO 156 Ca 0.63 1.41 0.23 0.00 0.04 0.00 0.00 61.00 63.30 1va6 s PRO 156 Cb -0.14 -1.97 1.45 0.00 0.04 0.00 0.00 34.50 33.89 1va6 s PRO 156 CO 0.31 -1.13 2.10 0.52 0.04 0.00 0.00 177.00 178.85 1va6 h MET 157 N 0.28 0.00 0.00 4.56 2.86 -1.91 -0.56 114.93 120.16 1va6 h MET 157 Ca -0.47 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 1va6 h MET 157 Cb 1.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 1va6 h MET 157 CO 0.55 0.00 -0.16 0.00 1.06 0.00 0.00 176.91 178.36 1va6 h ALA 158 N 1.87 1.19 0.43 6.32 0.00 -1.89 -1.09 119.26 126.10 1va6 h ALA 158 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1va6 h ALA 158 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1va6 h ALA 158 CO -0.00 0.20 -0.21 0.35 0.00 0.00 0.00 179.25 179.59 1va6 h PHE 159 N 0.00 -0.54 -0.58 0.00 3.57 -1.03 -2.20 116.94 116.16 1va6 h PHE 159 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1va6 h PHE 159 Cb 0.47 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1va6 h PHE 159 CO 0.00 -0.28 0.20 -1.49 -2.23 0.00 0.00 178.31 174.51 1va6 h TRP 160 N -0.69 0.86 -0.49 0.41 4.06 -1.50 -2.40 115.95 116.19 1va6 h TRP 160 Ca -0.06 -0.06 -0.09 0.00 2.06 0.00 0.00 58.89 60.75 1va6 h TRP 160 Cb 0.50 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 1va6 h TRP 160 CO -0.02 0.68 -0.04 0.37 -3.56 0.00 0.00 178.44 175.88 1va6 h GLN 161 N 0.83 0.85 0.00 0.49 5.75 -1.22 -1.40 115.11 120.41 1va6 h GLN 161 Ca 0.19 -0.26 -0.08 0.00 -0.15 0.00 0.00 58.65 58.35 1va6 h GLN 161 Cb 0.21 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1va6 h GLN 161 CO -0.01 0.87 -0.40 0.00 -2.65 0.00 0.00 178.83 176.64 1va6 h ALA 162 N 1.17 0.85 0.10 3.38 0.00 -1.14 -0.17 119.26 123.45 1va6 h ALA 162 Ca 0.14 -0.37 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 1va6 h ALA 162 Cb 0.52 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1va6 h ALA 162 CO 0.03 0.50 -1.19 -0.22 0.00 0.00 0.00 179.25 178.38 1va6 h LYS 163 N 0.00 0.44 0.00 0.00 3.64 -1.06 -3.40 116.57 116.19 1va6 h LYS 163 Ca -0.00 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1va6 h LYS 163 Cb 1.09 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1va6 h LYS 163 CO 0.05 1.26 -0.72 0.43 -2.27 0.00 0.00 179.45 178.19 1va6 n SER 164 N -3.68 2.86 -0.01 4.20 7.64 -0.56 -5.11 113.62 118.96 1va6 n SER 164 Ca -0.10 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1va6 n SER 164 Cb 0.97 1.06 0.00 0.00 -1.01 0.00 0.00 64.21 65.23 1va6 n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va6 n GLY 165 N 1.88 -0.68 3.67 0.23 0.00 -0.08 -4.76 105.19 105.45 1va6 n GLY 165 Ca -0.00 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 1va6 n GLY 165 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1va6 s ASP 166 N -4.00 6.93 0.23 1.61 1.01 -1.26 -4.82 116.67 116.37 1va6 s ASP 166 Ca 0.00 1.84 -0.12 0.00 0.71 0.00 0.00 52.55 54.98 1va6 s ASP 166 Cb 0.00 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 1va6 s ASP 166 CO 0.00 -0.73 0.44 0.27 0.21 0.00 0.00 175.17 175.36 1va6 s ILE 167 N 3.06 0.01 0.74 0.77 -4.36 -1.26 -5.15 121.20 115.01 1va6 s ILE 167 Ca 0.58 -1.40 -0.15 0.00 -0.26 0.00 0.00 60.65 59.43 1va6 s ILE 167 Cb -0.25 -2.13 0.05 0.00 1.25 0.00 0.00 42.46 41.37 1va6 s ILE 167 CO 0.20 -0.04 1.20 -0.94 0.24 0.00 0.00 174.94 175.59 1va6 s SER 168 N -3.01 4.11 0.49 4.36 1.04 -1.26 -4.82 113.70 114.61 1va6 s SER 168 Ca 0.22 2.33 0.28 0.00 0.48 0.00 0.00 55.95 59.26 1va6 s SER 168 Cb 0.00 -2.59 0.85 0.00 0.10 0.00 0.00 66.02 64.39 1va6 s SER 168 CO 0.07 -2.32 1.80 1.23 0.98 0.00 0.00 173.24 175.00 1va6 h GLY 169 N -0.43 0.00 0.56 7.32 0.00 -2.01 -0.43 103.07 108.08 1va6 h GLY 169 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1va6 h GLY 169 CO 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.98 1va6 h ALA 170 N 1.97 0.06 -0.41 3.60 0.00 -1.99 -2.62 119.26 119.87 1va6 h ALA 170 Ca -0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1va6 h ALA 170 Cb 0.77 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1va6 h ALA 170 CO 0.00 -0.14 -0.01 -0.44 0.00 0.00 0.00 179.25 178.67 1va6 h ASP 171 N -0.37 0.64 0.40 0.00 5.19 -1.87 -2.77 116.42 117.64 1va6 h ASP 171 Ca 0.01 -0.14 -0.27 0.00 -0.62 0.00 0.00 57.03 56.00 1va6 h ASP 171 Cb 0.57 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.93 1va6 h ASP 171 CO 0.01 0.71 -1.19 0.00 -3.12 0.00 0.00 179.24 175.65 1va6 h ALA 172 N 1.36 0.11 0.00 3.45 0.00 -1.16 -1.42 119.26 121.61 1va6 h ALA 172 Ca 0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1va6 h ALA 172 Cb 0.41 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1va6 h ALA 172 CO 0.02 0.83 -0.20 -0.22 0.00 0.00 0.00 179.25 179.68 1va6 h LYS 173 N 0.17 0.00 0.01 0.00 3.64 -1.45 -1.98 116.57 116.96 1va6 h LYS 173 Ca -0.15 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 1va6 h LYS 173 Cb 1.88 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.71 1va6 h LYS 173 CO 0.21 0.20 -0.35 1.49 -2.27 0.00 0.00 179.45 178.73 1va6 h GLU 174 N 0.00 0.22 -0.90 1.90 4.81 -1.28 -2.78 114.58 116.56 1va6 h GLU 174 Ca -0.00 -0.25 0.16 0.00 -0.13 0.00 0.00 59.36 59.14 1va6 h GLU 174 Cb 0.61 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.97 1va6 h GLU 174 CO 0.03 0.99 0.49 -0.22 -0.73 0.00 0.00 179.01 179.56 1va6 h LYS 175 N -0.44 0.64 -0.13 1.92 1.63 -1.04 -0.42 116.57 118.73 1va6 h LYS 175 Ca -0.05 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1va6 h LYS 175 Cb 1.12 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.60 1va6 h LYS 175 CO 0.07 0.42 0.06 0.82 -3.45 0.00 0.00 179.45 177.37 1va6 h ILE 176 N 0.66 1.13 -0.22 2.00 2.04 -1.40 0.16 117.51 121.87 1va6 h ILE 176 Ca 0.50 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 66.01 1va6 h ILE 176 Cb 0.73 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1va6 h ILE 176 CO -0.37 0.12 0.06 0.28 0.00 0.00 0.00 178.15 178.23 1va6 h SER 177 N 0.08 0.05 -0.84 1.72 0.02 -1.12 -0.88 113.55 112.58 1va6 h SER 177 Ca 0.04 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1va6 h SER 177 Cb 0.13 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1va6 h SER 177 CO -0.01 0.06 0.52 0.00 -1.14 0.00 0.00 176.83 176.26 1va6 h ALA 178 N 1.15 1.33 -0.39 3.77 0.00 -0.88 -1.62 119.26 122.61 1va6 h ALA 178 Ca 0.10 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1va6 h ALA 178 Cb 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1va6 h ALA 178 CO -0.11 0.59 0.21 0.78 0.00 0.00 0.00 179.25 180.71 1va6 h GLY 179 N 1.17 0.54 1.94 0.00 0.00 -0.07 -1.85 103.07 104.81 1va6 h GLY 179 Ca 0.30 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 1va6 h GLY 179 CO -0.06 0.12 -0.54 -0.97 0.00 0.00 0.00 176.54 175.09 1va6 h TYR 180 N 0.42 0.07 -0.16 5.60 0.05 -0.52 -1.99 116.97 120.45 1va6 h TYR 180 Ca 0.16 -0.03 -0.19 0.00 0.05 0.00 0.00 58.73 58.73 1va6 h TYR 180 Cb 0.05 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 1va6 h TYR 180 CO -0.09 0.59 -0.66 0.74 -1.05 0.00 0.00 178.16 177.69 1va6 h PHE 181 N 0.05 0.80 -0.74 4.88 0.04 -1.18 -0.76 116.94 120.02 1va6 h PHE 181 Ca -0.00 -0.32 0.09 0.00 2.80 0.00 0.00 57.97 60.54 1va6 h PHE 181 Cb 0.97 -0.14 -0.07 0.00 2.20 0.00 0.00 35.95 38.92 1va6 h PHE 181 CO 0.00 1.10 0.39 -0.09 -0.60 0.00 0.00 178.31 179.11 1va6 h ARG 182 N 0.44 0.65 -0.18 1.51 2.43 -1.19 0.37 114.38 118.41 1va6 h ARG 182 Ca -0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1va6 h ARG 182 Cb 1.24 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1va6 h ARG 182 CO 0.13 0.43 0.12 0.28 -1.51 0.00 0.00 179.97 179.41 1va6 h VAL 183 N 0.67 1.06 -0.74 0.20 2.07 -1.12 -2.07 116.25 116.32 1va6 h VAL 183 Ca 0.36 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1va6 h VAL 183 Cb 0.35 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1va6 h VAL 183 CO -0.25 0.06 0.48 0.40 0.02 0.00 0.00 177.57 178.28 1va6 h ILE 184 N 0.23 1.20 -0.54 4.57 2.04 -0.48 0.17 117.51 124.70 1va6 h ILE 184 Ca 0.07 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1va6 h ILE 184 Cb -0.00 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 1va6 h ILE 184 CO -0.01 0.20 0.13 0.03 0.00 0.00 0.00 178.15 178.49 1va6 h ARG 185 N 1.01 0.86 -0.40 2.37 3.08 -0.84 -1.22 114.38 119.25 1va6 h ARG 185 Ca 0.27 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1va6 h ARG 185 Cb -0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1va6 h ARG 185 CO -0.06 0.82 -0.08 -0.91 -1.07 0.00 0.00 179.97 178.67 1va6 h ASN 186 N 0.76 0.66 -0.81 7.04 2.35 -1.09 -2.12 115.58 122.36 1va6 h ASN 186 Ca 0.17 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1va6 h ASN 186 Cb 0.35 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1va6 h ASN 186 CO 0.00 0.78 0.37 0.22 -1.65 0.00 0.00 177.43 177.15 1va6 h TYR 187 N 0.62 1.19 -0.60 1.19 5.03 -0.49 0.48 116.97 124.39 1va6 h TYR 187 Ca 0.12 -0.07 -0.09 0.00 2.58 0.00 0.00 58.73 61.26 1va6 h TYR 187 Cb 0.50 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 1va6 h TYR 187 CO 0.02 0.88 0.02 1.88 -1.32 0.00 0.00 178.16 179.63 1va6 h TYR 188 N 1.16 1.14 -0.04 -3.82 0.05 -1.00 0.38 116.97 114.84 1va6 h TYR 188 Ca 0.28 -0.19 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 1va6 h TYR 188 Cb 0.15 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 1va6 h TYR 188 CO 0.02 1.01 -0.00 0.00 -1.05 0.00 0.00 178.16 178.13 1va6 h ARG 189 N 0.95 0.07 0.00 4.88 3.08 -1.01 -3.39 114.38 118.97 1va6 h ARG 189 Ca 0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1va6 h ARG 189 Cb 0.54 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1va6 h ARG 189 CO 0.03 0.38 0.00 1.19 -1.07 0.00 0.00 179.97 180.50 1va6 n PHE 190 N -4.88 0.00 0.59 3.04 3.72 0.13 -4.72 117.46 115.34 1va6 n PHE 190 Ca -0.07 -0.22 0.08 0.00 -0.05 0.00 0.00 57.45 57.18 1va6 n PHE 190 Cb 0.19 -0.02 0.35 0.00 -0.94 0.00 0.00 39.48 39.06 1va6 n PHE 190 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1va6 n GLY 191 N -0.22 -1.00 0.18 1.37 0.00 0.13 -2.94 105.19 102.71 1va6 n GLY 191 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1va6 n GLY 191 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1va6 h TRP 192 N 0.00 0.00 -0.16 1.61 5.08 -1.85 -1.46 115.95 119.17 1va6 h TRP 192 Ca 0.00 0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.02 1va6 h TRP 192 Cb 0.25 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.40 1va6 h TRP 192 CO 0.00 0.00 0.13 -0.24 -1.28 0.00 0.00 178.44 177.05 1va6 h VAL 193 N 0.00 0.81 0.55 0.12 3.04 -1.94 -2.49 116.25 116.34 1va6 h VAL 193 Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 1va6 h VAL 193 Cb 0.12 0.91 0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1va6 h VAL 193 CO 0.00 0.00 -0.26 0.40 -1.01 0.00 0.00 177.57 176.70 1va6 h ILE 194 N 0.00 0.16 -1.00 3.17 2.04 -1.55 -1.97 117.51 118.36 1va6 h ILE 194 Ca 0.08 -0.45 0.22 0.00 1.00 0.00 0.00 64.86 65.70 1va6 h ILE 194 Cb 0.33 0.23 -0.12 0.00 -0.74 0.00 0.00 36.82 36.52 1va6 h ILE 194 CO -0.00 0.03 0.60 -0.65 0.00 0.00 0.00 178.15 178.13 1va6 h PRO 195 N -1.12 0.64 -0.46 2.37 0.11 -1.73 0.33 132.00 132.14 1va6 h PRO 195 Ca -0.08 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 1va6 h PRO 195 Cb 0.61 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1va6 h PRO 195 CO 0.12 0.42 0.09 -0.92 -0.21 0.00 0.00 178.00 177.51 1va6 h TYR 196 N 0.66 0.80 0.23 0.65 3.20 -1.36 0.24 116.97 121.40 1va6 h TYR 196 Ca 0.61 -0.11 -0.30 0.00 3.14 0.00 0.00 58.73 62.08 1va6 h TYR 196 Cb 1.07 -0.22 0.04 0.00 1.54 0.00 0.00 36.73 39.16 1va6 h TYR 196 CO -0.01 0.74 -1.32 -0.07 -1.64 0.00 0.00 178.16 175.86 1va6 h LEU 197 N 0.63 0.76 -0.82 2.82 3.38 -1.01 -3.41 115.31 117.66 1va6 h LEU 197 Ca 0.14 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1va6 h LEU 197 Cb 0.37 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1va6 h LEU 197 CO 0.01 1.64 0.00 0.49 0.09 0.00 0.00 178.44 180.67 1va6 n PHE 198 N -3.82 0.00 -1.70 1.13 3.72 0.08 -2.44 117.46 114.43 1va6 n PHE 198 Ca -0.16 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.80 1va6 n PHE 198 Cb 1.04 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.56 1va6 n PHE 198 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1va6 n GLY 199 N 0.13 0.91 2.43 1.37 0.00 0.84 -4.60 105.19 106.26 1va6 n GLY 199 Ca 0.00 0.45 0.01 0.00 0.00 0.00 0.00 46.02 46.48 1va6 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va6 n ALA 200 N 1.64 2.58 -3.03 4.61 0.00 -1.10 -1.12 120.51 124.09 1va6 n ALA 200 Ca 0.09 -2.46 -0.15 0.00 0.00 0.00 0.00 53.44 50.92 1va6 n ALA 200 Cb 0.34 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 1va6 n ALA 200 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1va6 n SER 201 N -0.37 0.73 0.17 0.00 3.41 -0.67 -4.68 113.62 112.20 1va6 n SER 201 Ca 0.04 -2.97 0.13 0.00 -0.26 0.00 0.00 58.87 55.81 1va6 n SER 201 Cb 0.89 -0.41 0.49 0.00 -0.26 0.00 0.00 64.21 64.92 1va6 n SER 201 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1va6 h PRO 202 N 2.98 0.00 -6.22 4.33 0.13 -1.78 0.74 132.00 132.18 1va6 h PRO 202 Ca 0.03 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.56 1va6 h PRO 202 Cb 1.03 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.02 1va6 h PRO 202 CO 0.47 0.00 -0.76 0.00 -0.23 0.00 0.00 178.00 177.48 1va6 s ALA 203 N -3.34 2.76 0.11 -0.56 0.00 -1.26 -2.70 121.76 116.77 1va6 s ALA 203 Ca 0.05 -1.87 -0.15 0.00 0.00 0.00 0.00 51.96 49.99 1va6 s ALA 203 Cb 0.09 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1va6 s ALA 203 CO 0.50 0.28 0.37 0.96 0.00 0.00 0.00 175.76 177.87 1va6 s ILE 204 N -2.49 0.08 0.88 0.00 -4.36 0.53 -4.94 121.20 110.89 1va6 s ILE 204 Ca 0.30 -0.64 -0.12 0.00 -0.26 0.00 0.00 60.65 59.92 1va6 s ILE 204 Cb -0.05 -1.16 0.15 0.00 1.25 0.00 0.00 42.46 42.65 1va6 s ILE 204 CO 0.15 -0.35 1.22 -0.94 0.24 0.00 0.00 174.94 175.26 1va6 s SER 205 N -2.71 3.72 0.31 4.36 1.04 -1.26 -0.83 113.70 118.32 1va6 s SER 205 Ca 0.02 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.76 1va6 s SER 205 Cb 0.02 -0.56 0.47 0.00 0.10 0.00 0.00 66.02 66.05 1va6 s SER 205 CO -0.11 -2.35 1.97 0.28 0.98 0.00 0.00 173.24 174.02 1va6 h SER 206 N -1.29 0.92 -1.01 7.02 0.02 -1.90 -2.94 113.55 114.37 1va6 h SER 206 Ca -0.44 -0.02 0.24 0.00 -0.84 0.00 0.00 61.79 60.73 1va6 h SER 206 Cb 1.27 -0.23 -0.11 0.00 0.14 0.00 0.00 62.40 63.46 1va6 h SER 206 CO 0.46 0.66 0.62 0.28 -1.14 0.00 0.00 176.83 177.71 1va6 h SER 207 N 1.08 0.63 0.19 3.07 0.02 -1.93 1.57 113.55 118.18 1va6 h SER 207 Ca 0.30 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1va6 h SER 207 Cb -0.12 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1va6 h SER 207 CO -0.07 0.12 0.00 0.49 -1.14 0.00 0.00 176.83 176.24 1va6 n PHE 208 N -4.81 0.00 -4.23 3.45 3.72 -1.11 -4.67 117.46 109.81 1va6 n PHE 208 Ca 0.26 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.52 1va6 n PHE 208 Cb 0.76 -0.16 -0.10 0.00 -0.94 0.00 0.00 39.48 39.03 1va6 n PHE 208 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1va6 s LEU 209 N -2.33 2.51 0.00 4.37 1.43 0.53 -5.02 118.68 120.18 1va6 s LEU 209 Ca 0.21 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1va6 s LEU 209 Cb 0.12 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 46.01 1va6 s LEU 209 CO 0.24 -0.32 0.00 0.35 0.23 0.00 0.00 176.35 176.85 1va6 n THR 214 N -0.04 0.00 -0.32 5.49 -2.24 -1.26 -5.09 114.28 110.82 1va6 n THR 214 Ca -0.11 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 1va6 n THR 214 Cb 0.60 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.14 1va6 n THR 214 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1va6 n SER 215 N 0.00 4.23 -4.75 3.42 3.41 -1.26 -4.97 113.62 113.70 1va6 n SER 215 Ca 0.00 -2.40 -0.40 0.00 -0.26 0.00 0.00 58.87 55.80 1va6 n SER 215 Cb 0.00 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.36 1va6 n SER 215 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1va6 s LEU 216 N -1.69 4.59 -1.45 1.04 1.43 -1.26 -4.95 118.68 116.39 1va6 s LEU 216 Ca 0.44 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.51 1va6 s LEU 216 Cb 0.29 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 1va6 s LEU 216 CO 0.21 -0.01 2.55 -0.81 0.23 0.00 0.00 176.35 178.52 1va6 n PRO 217 N 1.54 3.10 -1.95 1.29 -0.04 -1.26 -4.96 135.00 132.72 1va6 n PRO 217 Ca -0.01 -2.26 -0.37 0.00 -0.04 0.00 0.00 63.50 60.83 1va6 n PRO 217 Cb 0.46 -2.96 0.03 0.00 -0.04 0.00 0.00 33.50 31.00 1va6 n PRO 217 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1va6 s PHE 218 N 2.84 2.39 0.48 0.54 0.08 -1.26 -4.81 117.98 118.24 1va6 s PHE 218 Ca 0.58 1.47 0.03 0.00 0.12 0.00 0.00 56.93 59.13 1va6 s PHE 218 Cb 0.16 -3.59 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 1va6 s PHE 218 CO -0.06 -2.41 0.01 -1.21 -0.10 0.00 0.00 175.22 171.45 1va6 s GLU 219 N -3.11 2.13 0.17 0.44 2.02 0.38 -4.92 118.70 115.81 1va6 s GLU 219 Ca 0.74 -2.31 0.10 0.00 0.02 0.00 0.00 54.97 53.52 1va6 s GLU 219 Cb -0.34 -1.58 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 1va6 s GLU 219 CO 0.39 -0.27 -0.22 0.15 0.02 0.00 0.00 175.26 175.33 1va6 s LYS 220 N -3.83 1.36 0.32 1.61 1.02 -1.26 -0.48 119.74 118.48 1va6 s LYS 220 Ca 0.15 -1.42 0.09 0.00 0.02 0.00 0.00 55.97 54.81 1va6 s LYS 220 Cb 0.04 -1.59 -0.05 0.00 -0.52 0.00 0.00 37.83 35.71 1va6 s LYS 220 CO 0.08 0.34 -0.03 -0.08 -0.92 0.00 0.00 175.35 174.74 1va6 s THR 221 N -1.72 2.68 0.62 2.17 -1.32 0.31 -4.96 115.64 113.42 1va6 s THR 221 Ca 0.16 -2.04 0.35 0.00 -1.21 0.00 0.00 61.69 58.96 1va6 s THR 221 Cb -0.07 -2.73 0.39 0.00 -1.51 0.00 0.00 72.50 68.58 1va6 s THR 221 CO 0.08 -0.25 2.29 -0.33 -2.21 0.00 0.00 174.62 174.20 1va6 h GLU 222 N 1.90 0.00 -0.00 7.08 5.08 -1.88 -0.10 114.58 126.66 1va6 h GLU 222 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1va6 h GLU 222 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1va6 h GLU 222 CO 0.65 0.00 -0.00 -1.13 -1.00 0.00 0.00 179.01 177.53 1va6 n SER 223 N -3.56 0.01 0.00 1.42 3.41 -1.26 -4.89 113.62 108.75 1va6 n SER 223 Ca -0.03 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1va6 n SER 223 Cb 0.09 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1va6 n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1va6 n GLY 224 N 1.21 0.64 3.82 5.00 0.00 -0.05 -5.08 105.19 110.74 1va6 n GLY 224 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1va6 n GLY 224 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1va6 s MET 225 N -0.79 4.20 -0.15 1.61 -1.94 -1.25 -4.61 119.30 116.37 1va6 s MET 225 Ca 0.00 0.86 -0.08 0.00 -1.71 0.00 0.00 55.69 54.76 1va6 s MET 225 Cb 0.00 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 34.12 1va6 s MET 225 CO 0.00 0.28 0.13 0.71 -0.01 0.00 0.00 175.02 176.13 1va6 s TYR 226 N -1.73 3.53 0.10 -0.03 1.51 -0.01 -0.53 117.35 120.19 1va6 s TYR 226 Ca 0.49 0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 56.89 1va6 s TYR 226 Cb -0.14 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.70 1va6 s TYR 226 CO 0.20 0.58 0.25 1.52 -1.11 0.00 0.00 175.55 176.98 1va6 s TYR 227 N -0.55 0.05 -0.12 2.71 1.13 0.37 -0.35 117.35 120.59 1va6 s TYR 227 Ca 0.13 -0.45 -0.03 0.00 -1.41 0.00 0.00 57.07 55.31 1va6 s TYR 227 Cb -0.12 0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.74 1va6 s TYR 227 CO 0.02 -0.58 -0.03 -0.51 -2.51 0.00 0.00 175.55 171.93 1va6 s LEU 228 N -2.83 3.32 0.46 -3.49 1.43 -1.10 -0.47 118.68 116.01 1va6 s LEU 228 Ca 0.04 -0.04 0.22 0.00 -1.03 0.00 0.00 54.13 53.32 1va6 s LEU 228 Cb 0.04 -1.78 1.13 0.00 0.03 0.00 0.00 46.19 45.61 1va6 s LEU 228 CO -0.11 0.25 1.96 1.55 0.23 0.00 0.00 176.35 180.23 1va6 h PRO 229 N 6.08 0.00 -0.07 1.29 0.13 -1.89 -3.03 132.00 134.50 1va6 h PRO 229 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1va6 h PRO 229 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1va6 h PRO 229 CO 0.59 0.21 0.00 0.66 -0.23 0.00 0.00 178.00 179.23 1va6 n TYR 230 N -3.77 0.09 -1.61 1.56 4.01 -1.26 -4.99 117.16 111.19 1va6 n TYR 230 Ca -0.02 -0.32 -0.32 0.00 -0.16 0.00 0.00 57.90 57.09 1va6 n TYR 230 Cb 0.32 -0.03 0.05 0.00 -0.31 0.00 0.00 39.34 39.37 1va6 n TYR 230 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1va6 s ALA 231 N -0.74 2.56 0.01 -0.72 0.00 -1.15 -1.57 121.76 120.15 1va6 s ALA 231 Ca 0.06 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1va6 s ALA 231 Cb 0.03 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1va6 s ALA 231 CO 0.05 -1.28 -0.07 0.25 0.00 0.00 0.00 175.76 174.71 1va6 n THR 232 N -2.92 0.97 -3.52 0.00 -2.24 -0.57 -4.55 114.28 101.44 1va6 n THR 232 Ca 0.08 0.22 -0.29 0.00 -2.27 0.00 0.00 64.05 61.79 1va6 n THR 232 Cb 0.53 -1.68 -0.12 0.00 -2.10 0.00 0.00 70.33 66.95 1va6 n THR 232 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1va6 s SER 233 N -5.82 3.16 0.22 3.42 0.15 -1.22 -1.68 113.70 111.94 1va6 s SER 233 Ca -0.06 -2.21 0.24 0.00 0.70 0.00 0.00 55.95 54.62 1va6 s SER 233 Cb 0.01 -0.53 0.91 0.00 -1.71 0.00 0.00 66.02 64.70 1va6 s SER 233 CO 0.09 -0.31 1.74 0.18 1.20 0.00 0.00 173.24 176.13 1va6 n LEU 234 N 4.03 0.68 -0.02 3.45 4.77 0.25 -2.09 117.00 128.07 1va6 n LEU 234 Ca 0.10 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 1va6 n LEU 234 Cb 0.37 -0.47 0.53 0.00 -2.33 0.00 0.00 43.42 41.52 1va6 n LEU 234 CO 0.16 -0.38 1.17 -0.09 -1.33 0.00 0.00 177.39 176.92 1va6 h ARG 235 N 0.00 0.32 -0.01 3.23 2.43 -1.93 -1.60 114.38 116.82 1va6 h ARG 235 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1va6 h ARG 235 Cb 0.52 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1va6 h ARG 235 CO 0.00 0.21 -0.26 1.28 -1.51 0.00 0.00 179.97 179.69 1va6 n LEU 236 N -4.47 1.20 -4.95 3.80 4.77 -0.89 0.10 117.00 116.56 1va6 n LEU 236 Ca 0.07 -0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.46 1va6 n LEU 236 Cb 0.33 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 1va6 n LEU 236 CO 0.35 0.22 0.58 -0.94 -1.33 0.00 0.00 177.39 176.27 1va6 s SER 237 N -2.45 4.60 0.62 -1.43 1.04 -0.61 -4.91 113.70 110.55 1va6 s SER 237 Ca 0.25 0.16 0.30 0.00 0.48 0.00 0.00 55.95 57.14 1va6 s SER 237 Cb 0.19 -0.73 1.65 0.00 0.10 0.00 0.00 66.02 67.24 1va6 s SER 237 CO 0.51 -1.70 2.00 0.44 0.98 0.00 0.00 173.24 175.47 1va6 h ASP 238 N -0.58 0.00 1.28 7.02 3.32 -1.92 0.10 116.42 125.64 1va6 h ASP 238 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1va6 h ASP 238 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1va6 h ASP 238 CO 0.52 0.00 -0.46 -0.07 -1.72 0.00 0.00 179.24 177.51 1va6 h LEU 239 N 0.00 0.00 0.00 1.55 3.38 -1.93 -3.44 115.31 114.87 1va6 h LEU 239 Ca 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1va6 h LEU 239 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1va6 h LEU 239 CO -0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1va6 n GLY 240 N 1.24 0.64 3.54 0.83 0.00 0.36 -4.93 105.19 106.87 1va6 n GLY 240 Ca 0.03 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1va6 n GLY 240 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1va6 s TYR 241 N 3.76 2.89 0.36 1.61 5.04 0.11 -4.95 117.35 126.18 1va6 s TYR 241 Ca 0.00 -1.52 -0.17 0.00 -2.44 0.00 0.00 57.07 52.94 1va6 s TYR 241 Cb 0.00 -4.61 -0.09 0.00 0.35 0.00 0.00 41.96 37.60 1va6 s TYR 241 CO 0.00 -1.73 0.81 0.99 -1.34 0.00 0.00 175.55 174.28 1va6 s THR 242 N 3.74 4.59 -0.07 4.34 2.01 -1.26 -4.83 115.64 124.17 1va6 s THR 242 Ca 0.48 1.10 0.10 0.00 0.31 0.00 0.00 61.69 63.69 1va6 s THR 242 Cb 0.01 -3.61 0.16 0.00 0.01 0.00 0.00 72.50 69.06 1va6 s THR 242 CO 0.01 -0.25 1.05 -0.46 -0.69 0.00 0.00 174.62 174.28 1va6 n ASN 243 N -0.50 1.51 -0.02 3.53 6.94 -1.26 -4.81 115.26 120.64 1va6 n ASN 243 Ca 0.05 -2.52 -0.11 0.00 -0.02 0.00 0.00 54.58 51.98 1va6 n ASN 243 Cb 0.53 -0.29 -0.05 0.00 -2.36 0.00 0.00 39.78 37.62 1va6 n ASN 243 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1va6 h LYS 244 N 0.00 0.18 0.00 -3.83 3.64 -1.96 0.26 116.57 114.86 1va6 h LYS 244 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1va6 h LYS 244 Cb 1.05 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1va6 h LYS 244 CO 0.00 0.19 0.50 0.66 -2.27 0.00 0.00 179.45 178.53 1va6 h SER 245 N 0.12 0.00 -0.01 4.20 4.64 -2.02 -0.46 113.55 120.02 1va6 h SER 245 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1va6 h SER 245 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1va6 h SER 245 CO -0.01 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 175.90 1va6 n GLN 246 N -2.00 1.00 0.07 4.77 6.02 0.06 -4.70 117.38 122.60 1va6 n GLN 246 Ca -0.01 -0.67 0.09 0.00 -0.01 0.00 0.00 57.00 56.41 1va6 n GLN 246 Cb 0.51 -1.04 0.40 0.00 1.02 0.00 0.00 30.24 31.14 1va6 n GLN 246 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1va6 n SER 247 N 0.02 0.34 -0.21 1.08 3.41 -0.18 -2.21 113.62 115.87 1va6 n SER 247 Ca 0.03 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 1va6 n SER 247 Cb 0.14 -0.66 0.54 0.00 -0.26 0.00 0.00 64.21 63.97 1va6 n SER 247 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1va6 n ASN 248 N -1.88 0.80 0.02 4.04 5.15 -1.26 -4.44 115.26 117.69 1va6 n ASN 248 Ca 0.03 -0.86 0.06 0.00 -0.60 0.00 0.00 54.58 53.20 1va6 n ASN 248 Cb 0.20 0.01 0.25 0.00 -0.53 0.00 0.00 39.78 39.71 1va6 n ASN 248 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1va6 n LEU 249 N -0.66 0.09 -1.94 1.20 4.77 -0.94 -4.88 117.00 114.64 1va6 n LEU 249 Ca 0.15 0.53 -0.17 0.00 -0.03 0.00 0.00 56.01 56.49 1va6 n LEU 249 Cb 0.30 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1va6 n LEU 249 CO 0.23 -0.38 -0.19 0.61 -1.33 0.00 0.00 177.39 176.33 1va6 n GLY 250 N -0.50 0.60 3.73 -0.72 0.00 -1.26 -4.93 105.19 102.10 1va6 n GLY 250 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1va6 n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1va6 s ILE 251 N -2.64 3.89 0.32 -0.61 1.01 -1.26 -4.85 121.20 117.06 1va6 s ILE 251 Ca 0.00 1.50 0.07 0.00 0.00 0.00 0.00 60.65 62.22 1va6 s ILE 251 Cb 0.00 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1va6 s ILE 251 CO 0.00 0.19 -0.05 0.42 0.00 0.00 0.00 174.94 175.51 1va6 s THR 252 N 0.35 1.81 -0.46 2.92 -4.23 -1.26 -4.81 115.64 109.96 1va6 s THR 252 Ca 0.54 -2.12 0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1va6 s THR 252 Cb -0.30 -2.61 0.40 0.00 1.34 0.00 0.00 72.50 71.33 1va6 s THR 252 CO 0.33 -0.20 1.02 0.49 -0.54 0.00 0.00 174.62 175.72 1va6 n PHE 253 N -0.70 3.13 -0.04 3.99 3.72 -1.26 -4.23 117.46 122.07 1va6 n PHE 253 Ca -0.05 -3.37 -0.03 0.00 -0.05 0.00 0.00 57.45 53.95 1va6 n PHE 253 Cb 0.64 -0.25 -0.08 0.00 -0.94 0.00 0.00 39.48 38.86 1va6 n PHE 253 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1va6 n ASN 254 N -0.32 2.65 -3.67 4.37 3.02 -1.26 -4.61 115.26 115.44 1va6 n ASN 254 Ca 0.32 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.73 1va6 n ASN 254 Cb 0.60 0.84 -0.08 0.00 -0.61 0.00 0.00 39.78 40.53 1va6 n ASN 254 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1va6 s ASP 255 N -4.03 -0.48 0.08 6.41 -1.08 -1.26 -4.98 116.67 111.32 1va6 s ASP 255 Ca -0.05 0.70 -0.22 0.00 -0.52 0.00 0.00 52.55 52.47 1va6 s ASP 255 Cb 0.03 0.72 -0.12 0.00 -1.46 0.00 0.00 42.92 42.10 1va6 s ASP 255 CO 0.39 -0.37 1.61 0.25 0.52 0.00 0.00 175.17 177.58 1va6 h LEU 256 N 4.30 0.16 -0.49 -1.34 5.85 -1.96 0.83 115.31 122.65 1va6 h LEU 256 Ca -0.28 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 1va6 h LEU 256 Cb 1.17 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1va6 h LEU 256 CO 0.29 0.28 -0.07 1.88 -0.34 0.00 0.00 178.44 180.48 1va6 h TYR 257 N 0.03 1.01 0.14 1.25 0.05 -1.99 -1.84 116.97 115.62 1va6 h TYR 257 Ca 0.04 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.62 1va6 h TYR 257 Cb 0.17 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1va6 h TYR 257 CO -0.02 0.96 -0.13 1.49 -1.05 0.00 0.00 178.16 179.42 1va6 h GLU 258 N 0.76 -0.28 -0.12 4.88 4.81 -1.94 0.59 114.58 123.27 1va6 h GLU 258 Ca 0.13 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1va6 h GLU 258 Cb 0.61 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.99 1va6 h GLU 258 CO 0.04 -0.19 -0.40 -0.92 -0.73 0.00 0.00 179.01 176.81 1va6 h TYR 259 N -0.29 -1.15 -0.77 0.92 3.20 -0.61 -0.71 116.97 117.55 1va6 h TYR 259 Ca -0.00 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1va6 h TYR 259 Cb 0.27 0.52 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 1va6 h TYR 259 CO -0.12 -0.47 0.39 0.28 -1.64 0.00 0.00 178.16 176.60 1va6 h VAL 260 N -0.48 1.24 -0.58 1.81 2.07 -1.24 -1.57 116.25 117.50 1va6 h VAL 260 Ca 0.08 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1va6 h VAL 260 Cb 0.62 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1va6 h VAL 260 CO -0.39 0.28 0.12 0.00 0.02 0.00 0.00 177.57 177.60 1va6 h ALA 261 N 1.34 0.76 -0.29 1.67 0.00 -0.54 0.34 119.26 122.54 1va6 h ALA 261 Ca 0.27 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1va6 h ALA 261 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1va6 h ALA 261 CO -0.04 0.48 -0.12 0.78 0.00 0.00 0.00 179.25 180.36 1va6 h GLY 262 N 0.84 0.53 1.47 0.00 0.00 -0.83 0.30 103.07 105.38 1va6 h GLY 262 Ca 0.18 -0.36 -0.29 0.00 0.00 0.00 0.00 47.33 46.86 1va6 h GLY 262 CO 0.01 0.34 -1.25 -2.00 0.00 0.00 0.00 176.54 173.63 1va6 h LEU 263 N 0.45 0.62 -0.30 3.11 5.85 -0.90 -1.66 115.31 122.49 1va6 h LEU 263 Ca 0.09 -0.62 -0.16 0.00 0.84 0.00 0.00 57.88 58.03 1va6 h LEU 263 Cb 0.48 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1va6 h LEU 263 CO 0.03 1.46 -0.43 0.11 -0.34 0.00 0.00 178.44 179.27 1va6 h LYS 264 N 0.15 0.82 0.00 1.25 1.57 -0.15 -2.72 116.57 117.49 1va6 h LYS 264 Ca -0.16 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.13 1va6 h LYS 264 Cb 1.94 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.29 1va6 h LYS 264 CO 0.22 1.11 -0.02 0.37 -0.57 0.00 0.00 179.45 180.56 1va6 h GLN 265 N 0.59 0.00 0.00 3.15 4.15 -0.43 -2.63 115.11 119.93 1va6 h GLN 265 Ca 0.03 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.23 1va6 h GLN 265 Cb 1.03 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.68 1va6 h GLN 265 CO 0.10 0.02 -1.10 0.00 -1.93 0.00 0.00 178.83 175.92 1va6 h ALA 266 N 1.98 0.43 0.00 3.38 0.00 -0.99 -2.98 119.26 121.08 1va6 h ALA 266 Ca -0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 54.91 53.92 1va6 h ALA 266 Cb 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1va6 h ALA 266 CO 0.00 1.28 -0.02 0.82 0.00 0.00 0.00 179.25 181.34 1va6 h ILE 267 N 0.00 0.04 -0.19 0.00 1.08 -1.28 -3.07 117.51 114.09 1va6 h ILE 267 Ca -0.05 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1va6 h ILE 267 Cb 1.80 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 37.17 1va6 h ILE 267 CO 0.12 0.02 0.00 0.29 -0.69 0.00 0.00 178.15 177.89 1va6 n LYS 268 N -3.11 2.42 -3.29 2.37 5.02 -1.16 -4.81 118.16 115.60 1va6 n LYS 268 Ca 0.01 -2.10 -0.41 0.00 -2.02 0.00 0.00 58.31 53.80 1va6 n LYS 268 Cb 0.36 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 1va6 n LYS 268 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1va6 s THR 269 N -1.77 5.07 0.30 -0.18 2.01 -1.13 -5.04 115.64 114.90 1va6 s THR 269 Ca 0.33 0.38 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 1va6 s THR 269 Cb 0.21 -3.89 -0.09 0.00 0.01 0.00 0.00 72.50 68.74 1va6 s THR 269 CO 0.31 -0.11 1.10 -2.16 -0.69 0.00 0.00 174.62 173.07 1va6 s PRO 270 N 2.28 4.56 -0.12 4.92 0.04 -1.26 -1.72 135.00 143.69 1va6 s PRO 270 Ca 0.17 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1va6 s PRO 270 Cb -0.16 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1va6 s PRO 270 CO 0.12 0.14 -0.06 0.45 0.04 0.00 0.00 177.00 177.69 1va6 s SER 271 N -0.95 4.64 0.13 6.66 0.15 -1.01 -4.74 113.70 118.59 1va6 s SER 271 Ca 0.46 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.88 1va6 s SER 271 Cb -0.31 -1.53 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 1va6 s SER 271 CO 0.40 0.24 1.50 -0.08 1.20 0.00 0.00 173.24 176.50 1va6 h GLU 272 N 6.15 0.88 -0.17 5.44 4.81 -1.96 -3.02 114.58 126.71 1va6 h GLU 272 Ca -0.37 -0.41 -0.06 0.00 -0.13 0.00 0.00 59.36 58.39 1va6 h GLU 272 Cb 1.19 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1va6 h GLU 272 CO 0.58 1.05 -0.18 1.49 -0.73 0.00 0.00 179.01 181.22 1va6 h GLU 273 N 0.69 0.28 0.00 1.92 4.57 -1.96 -3.10 114.58 116.98 1va6 h GLU 273 Ca 0.08 -0.08 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 1va6 h GLU 273 Cb 0.82 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.34 1va6 h GLU 273 CO 0.07 0.46 -1.39 1.88 -1.18 0.00 0.00 179.01 178.85 1va6 h TYR 274 N 0.26 0.00 -0.99 0.92 0.05 -1.82 -3.24 116.97 112.15 1va6 h TYR 274 Ca 0.05 0.00 0.18 0.00 0.05 0.00 0.00 58.73 59.01 1va6 h TYR 274 Cb 0.48 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.12 1va6 h TYR 274 CO 0.01 0.83 0.61 0.00 -1.05 0.00 0.00 178.16 178.56 1va6 h ALA 275 N 1.17 1.74 -0.02 3.88 0.00 -1.45 -2.47 119.26 122.11 1va6 h ALA 275 Ca -0.18 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1va6 h ALA 275 Cb 1.79 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1va6 h ALA 275 CO 0.08 -0.08 -0.37 0.87 0.00 0.00 0.00 179.25 179.75 1va6 h LYS 276 N 0.74 0.04 -0.11 0.00 1.57 -1.62 -0.61 116.57 116.58 1va6 h LYS 276 Ca 0.55 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.25 1va6 h LYS 276 Cb 0.88 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1va6 h LYS 276 CO -0.33 0.40 -0.24 0.82 -0.57 0.00 0.00 179.45 179.53 1va6 h ILE 277 N 0.03 1.22 0.00 1.86 2.04 -1.57 -3.49 117.51 117.61 1va6 h ILE 277 Ca 0.00 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1va6 h ILE 277 Cb 0.67 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1va6 h ILE 277 CO 0.05 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.12 1va6 n GLY 278 N -0.64 -2.79 0.07 5.37 0.00 -0.24 -4.91 105.19 102.05 1va6 n GLY 278 Ca -0.01 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 1va6 n GLY 278 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1va6 h ILE 279 N 0.00 1.69 -4.25 -0.61 2.04 -1.85 -3.41 117.51 111.11 1va6 h ILE 279 Ca 0.00 -2.27 -0.69 0.00 1.00 0.00 0.00 64.86 62.90 1va6 h ILE 279 Cb 0.00 3.19 -0.30 0.00 -0.74 0.00 0.00 36.82 38.97 1va6 h ILE 279 CO 0.00 0.57 -0.88 -0.70 0.00 0.00 0.00 178.15 177.15 1va6 s GLU 280 N -2.18 2.38 -0.10 2.37 2.12 -1.26 -1.36 118.70 120.68 1va6 s GLU 280 Ca -0.18 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 54.21 1va6 s GLU 280 Cb -0.03 -2.14 0.05 0.00 0.26 0.00 0.00 34.13 32.27 1va6 s GLU 280 CO 0.65 0.47 0.22 0.21 -0.54 0.00 0.00 175.26 176.26 1va6 s LYS 281 N -0.38 0.15 -1.50 4.30 2.20 -0.92 -4.92 119.74 118.67 1va6 s LYS 281 Ca 0.03 0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 56.17 1va6 s LYS 281 Cb -0.12 -0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.07 1va6 s LYS 281 CO 0.02 -0.20 0.18 -0.25 -0.36 0.00 0.00 175.35 174.74 1va6 n ASP 282 N 4.52 0.36 0.00 1.43 8.00 -1.26 -0.36 116.55 129.24 1va6 n ASP 282 Ca -0.20 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1va6 n ASP 282 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 41.12 39.45 1va6 n ASP 282 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1va6 n GLY 283 N -2.31 2.03 3.64 0.44 0.00 -1.26 -4.98 105.19 102.75 1va6 n GLY 283 Ca -0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1va6 n GLY 283 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1va6 s LYS 284 N 0.00 4.08 0.31 1.61 2.20 0.51 -5.07 119.74 123.38 1va6 s LYS 284 Ca 0.00 -0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.31 1va6 s LYS 284 Cb 0.00 -3.58 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1va6 s LYS 284 CO 0.00 -0.09 1.25 1.03 -0.36 0.00 0.00 175.35 177.18 1va6 s ARG 285 N 1.48 4.44 0.00 4.03 0.52 -1.26 -2.16 118.95 126.00 1va6 s ARG 285 Ca 0.14 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 1va6 s ARG 285 Cb -0.15 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.21 1va6 s ARG 285 CO 0.08 -0.07 0.00 1.28 0.02 0.00 0.00 175.30 176.61 1va6 n LEU 286 N 0.99 0.00 -3.81 2.53 4.77 -0.46 -4.94 117.00 116.09 1va6 n LEU 286 Ca -0.00 -0.20 -0.07 0.00 -0.03 0.00 0.00 56.01 55.71 1va6 n LEU 286 Cb 0.43 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1va6 n LEU 286 CO 0.58 0.00 0.49 0.00 -1.33 0.00 0.00 177.39 177.13 1va6 s GLN 287 N -1.60 1.67 0.07 3.23 -2.07 -1.24 -2.40 119.66 117.32 1va6 s GLN 287 Ca 0.00 -0.90 -0.11 0.00 -1.82 0.00 0.00 55.36 52.53 1va6 s GLN 287 Cb 0.00 0.58 -0.27 0.00 -1.09 0.00 0.00 33.01 32.23 1va6 s GLN 287 CO 0.00 -0.76 1.12 0.82 -1.32 0.00 0.00 175.29 175.15 1va6 h ILE 288 N 2.00 1.36 -1.95 3.63 2.04 -1.91 -3.47 117.51 119.21 1va6 h ILE 288 Ca -0.21 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 62.98 1va6 h ILE 288 Cb 1.25 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 40.13 1va6 h ILE 288 CO 0.25 0.80 0.00 -0.46 0.00 0.00 0.00 178.15 178.73 1va6 n ASN 289 N -3.70 0.00 -0.30 1.72 0.23 -1.26 -5.06 115.26 106.90 1va6 n ASN 289 Ca -0.12 -0.95 0.08 0.00 -0.53 0.00 0.00 54.58 53.06 1va6 n ASN 289 Cb 1.00 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.87 1va6 n ASN 289 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1va6 n SER 290 N -1.20 2.25 -4.96 0.53 3.41 -1.26 -4.92 113.62 107.47 1va6 n SER 290 Ca 0.00 -3.34 -0.22 0.00 -0.26 0.00 0.00 58.87 55.04 1va6 n SER 290 Cb 0.00 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.46 1va6 n SER 290 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1va6 s ASN 291 N -2.93 6.31 0.25 4.04 0.01 -1.26 -2.39 114.94 118.98 1va6 s ASN 291 Ca 0.35 0.23 -0.03 0.00 -0.71 0.00 0.00 52.86 52.70 1va6 s ASN 291 Cb 0.31 -1.93 0.51 0.00 0.41 0.00 0.00 41.25 40.55 1va6 s ASN 291 CO 0.00 -0.15 1.72 0.58 -1.51 0.00 0.00 177.10 177.74 1va6 h VAL 292 N 1.04 0.60 -3.65 1.60 2.07 -1.49 -3.37 116.25 113.05 1va6 h VAL 292 Ca -0.51 -0.14 -0.68 0.00 0.82 0.00 0.00 66.70 66.19 1va6 h VAL 292 Cb 1.22 0.15 -0.29 0.00 -1.52 0.00 0.00 31.29 30.86 1va6 h VAL 292 CO 0.62 0.08 -0.83 -0.76 0.02 0.00 0.00 177.57 176.70 1va6 s LEU 293 N -10.48 2.40 -0.01 2.57 1.43 -1.23 -5.01 118.68 108.35 1va6 s LEU 293 Ca -0.12 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.36 1va6 s LEU 293 Cb 0.22 -1.49 -0.25 0.00 0.03 0.00 0.00 46.19 44.70 1va6 s LEU 293 CO 0.77 0.22 1.06 1.56 0.23 0.00 0.00 176.35 180.18 1va6 h GLN 294 N 6.28 0.37 -4.41 1.70 4.20 -1.91 -3.39 115.11 117.95 1va6 h GLN 294 Ca -0.30 -0.42 -0.25 0.00 0.06 0.00 0.00 58.65 57.74 1va6 h GLN 294 Cb 1.20 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.98 1va6 h GLN 294 CO 0.50 1.11 -0.44 0.96 -0.67 0.00 0.00 178.83 180.29 1va6 s ILE 295 N -3.06 0.00 0.32 2.54 -4.36 -1.26 -4.84 121.20 110.54 1va6 s ILE 295 Ca -0.14 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 58.43 1va6 s ILE 295 Cb 0.03 -2.47 0.27 0.00 1.25 0.00 0.00 42.46 41.55 1va6 s ILE 295 CO 0.81 0.00 1.95 -0.33 0.24 0.00 0.00 174.94 177.62 1va6 h GLU 296 N 2.39 0.96 -0.59 0.37 3.07 -1.92 -1.87 114.58 116.99 1va6 h GLU 296 Ca -0.31 -0.06 0.17 0.00 -0.50 0.00 0.00 59.36 58.66 1va6 h GLU 296 Cb 1.25 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1va6 h GLU 296 CO 0.45 0.63 0.55 -0.91 -1.40 0.00 0.00 179.01 178.33 1va6 h ASN 297 N 0.99 0.00 0.60 1.42 4.21 -2.00 -2.00 115.58 118.79 1va6 h ASN 297 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 1va6 h ASN 297 Cb 0.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1va6 h ASN 297 CO -0.10 0.00 0.00 1.21 -1.29 0.00 0.00 177.43 177.25 1va6 n GLU 298 N -3.85 0.14 -1.81 0.81 2.13 -0.70 -4.69 120.64 112.67 1va6 n GLU 298 Ca 0.12 0.10 -0.40 0.00 0.66 0.00 0.00 57.16 57.64 1va6 n GLU 298 Cb 0.78 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.96 1va6 n GLU 298 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1va6 s LEU 299 N -2.81 3.42 -0.81 4.31 2.96 -0.76 -4.88 118.68 120.12 1va6 s LEU 299 Ca 0.15 1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 55.21 1va6 s LEU 299 Cb 0.15 -3.07 0.14 0.00 0.50 0.00 0.00 46.19 43.90 1va6 s LEU 299 CO 0.37 -2.18 2.49 -1.22 -1.32 0.00 0.00 176.35 174.49 1va6 n TYR 300 N 12.45 2.16 -2.04 5.38 4.01 -1.26 -4.98 117.16 132.88 1va6 n TYR 300 Ca 0.27 -2.30 -0.32 0.00 -0.16 0.00 0.00 57.90 55.40 1va6 n TYR 300 Cb 0.49 -1.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.05 1va6 n TYR 300 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1va6 s ALA 301 N -2.07 2.95 -1.13 -0.72 0.00 -1.26 -4.74 121.76 114.79 1va6 s ALA 301 Ca 0.55 0.13 0.22 0.00 0.00 0.00 0.00 51.96 52.86 1va6 s ALA 301 Cb 0.32 -3.14 1.01 0.00 0.00 0.00 0.00 23.12 21.31 1va6 s ALA 301 CO -0.20 -0.64 1.72 -0.35 0.00 0.00 0.00 175.76 176.29 1va6 n PRO 302 N -2.26 0.10 -3.55 0.00 -0.04 -1.26 -4.76 135.00 123.23 1va6 n PRO 302 Ca 0.07 0.10 -0.16 0.00 -0.04 0.00 0.00 63.50 63.48 1va6 n PRO 302 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1va6 n PRO 302 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1va6 s ILE 303 N -2.87 0.00 0.06 0.52 2.07 -1.26 -1.13 121.20 118.59 1va6 s ILE 303 Ca 0.14 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.32 1va6 s ILE 303 Cb 0.15 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.72 1va6 s ILE 303 CO 0.39 0.00 0.11 -0.13 -1.91 0.00 0.00 174.94 173.39 1va6 s ARG 304 N -0.96 0.70 0.56 3.50 0.52 -0.89 -4.98 118.95 117.40 1va6 s ARG 304 Ca -0.07 -0.95 -0.20 0.00 -0.52 0.00 0.00 55.73 53.98 1va6 s ARG 304 Cb -0.01 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.69 1va6 s ARG 304 CO 0.07 -0.19 1.26 -2.14 0.02 0.00 0.00 175.30 174.31 1va6 s PRO 305 N -3.46 3.12 -0.07 3.54 0.02 -1.26 -2.23 135.00 134.66 1va6 s PRO 305 Ca 0.02 1.97 -0.23 0.00 0.02 0.00 0.00 61.00 62.78 1va6 s PRO 305 Cb 0.04 -2.11 0.05 0.00 0.02 0.00 0.00 34.50 32.50 1va6 s PRO 305 CO -0.09 -1.12 0.52 0.15 -0.33 0.00 0.00 177.00 176.13 1va6 s LYS 306 N -3.09 0.83 -0.20 5.54 1.02 -0.36 -4.84 119.74 118.64 1va6 s LYS 306 Ca 0.74 0.19 -0.11 0.00 0.02 0.00 0.00 55.97 56.81 1va6 s LYS 306 Cb -0.34 0.39 0.07 0.00 -0.52 0.00 0.00 37.83 37.43 1va6 s LYS 306 CO 0.38 -0.23 0.47 0.50 -0.92 0.00 0.00 175.35 175.56 1va6 s ARG 307 N -0.95 0.46 0.09 1.68 3.52 -1.26 -0.01 118.95 122.47 1va6 s ARG 307 Ca -0.10 0.91 -0.34 0.00 -0.13 0.00 0.00 55.73 56.07 1va6 s ARG 307 Cb -0.03 0.05 -0.13 0.00 -1.56 0.00 0.00 34.95 33.28 1va6 s ARG 307 CO 0.06 -0.16 1.68 0.28 -0.81 0.00 0.00 175.30 176.35 1va6 n VAL 308 N 4.37 0.19 -3.11 7.11 0.31 -1.26 -4.81 118.33 121.13 1va6 n VAL 308 Ca -0.21 -0.03 -0.35 0.00 -0.01 0.00 0.00 64.34 63.73 1va6 n VAL 308 Cb 0.56 -1.67 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 1va6 n VAL 308 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1va6 s THR 309 N 1.91 4.60 0.84 2.52 -4.23 -1.26 -4.96 115.64 115.06 1va6 s THR 309 Ca 0.83 1.18 -0.12 0.00 -1.18 0.00 0.00 61.69 62.40 1va6 s THR 309 Cb -0.67 -3.78 0.13 0.00 1.34 0.00 0.00 72.50 69.51 1va6 s THR 309 CO 0.42 0.09 1.19 -0.13 -0.54 0.00 0.00 174.62 175.65 1va6 s ARG 310 N -2.27 1.47 0.12 3.99 0.52 -1.26 -4.97 118.95 116.55 1va6 s ARG 310 Ca 0.46 -0.26 -0.31 0.00 -0.52 0.00 0.00 55.73 55.10 1va6 s ARG 310 Cb -0.15 -1.98 -0.09 0.00 0.52 0.00 0.00 34.95 33.25 1va6 s ARG 310 CO 0.20 -1.83 1.57 0.45 0.02 0.00 0.00 175.30 175.71 1va6 s SER 311 N -4.70 6.63 0.00 0.23 0.15 -1.26 -2.22 113.70 112.53 1va6 s SER 311 Ca 0.67 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.83 1va6 s SER 311 Cb -0.08 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1va6 s SER 311 CO 0.49 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1va6 n GLY 312 N 3.81 3.07 3.78 9.45 0.00 -1.26 -5.02 105.19 119.02 1va6 n GLY 312 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1va6 n GLY 312 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1va6 s GLU 313 N -0.18 4.35 0.56 1.61 2.12 -0.94 -5.07 118.70 121.14 1va6 s GLU 313 Ca 0.00 1.54 -0.05 0.00 0.36 0.00 0.00 54.97 56.82 1va6 s GLU 313 Cb 0.00 -2.73 -0.00 0.00 0.26 0.00 0.00 34.13 31.65 1va6 s GLU 313 CO 0.00 0.01 0.86 -1.54 -0.54 0.00 0.00 175.26 174.06 1va6 s SER 314 N -1.42 5.75 0.20 -1.70 1.04 -1.26 -4.68 113.70 111.62 1va6 s SER 314 Ca 0.53 0.73 -0.11 0.00 0.48 0.00 0.00 55.95 57.58 1va6 s SER 314 Cb -0.24 -1.81 0.23 0.00 0.10 0.00 0.00 66.02 64.31 1va6 s SER 314 CO 0.30 -0.94 1.75 -0.65 0.98 0.00 0.00 173.24 174.68 1va6 h PRO 315 N -0.05 0.37 -0.38 4.02 0.11 -1.97 -1.32 132.00 132.78 1va6 h PRO 315 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1va6 h PRO 315 Cb 1.24 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1va6 h PRO 315 CO 0.61 0.25 0.11 0.66 -0.21 0.00 0.00 178.00 179.41 1va6 h SER 316 N 0.38 0.51 -0.11 -2.05 4.64 -1.96 -2.61 113.55 112.35 1va6 h SER 316 Ca 0.28 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.40 1va6 h SER 316 Cb 0.32 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1va6 h SER 316 CO -0.28 0.50 -0.44 0.44 -0.87 0.00 0.00 176.83 176.18 1va6 h ASP 317 N 0.55 0.58 -0.64 4.97 3.32 -1.65 -2.40 116.42 121.15 1va6 h ASP 317 Ca 0.13 -0.62 0.10 0.00 0.02 0.00 0.00 57.03 56.66 1va6 h ASP 317 Cb 0.18 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 1va6 h ASP 317 CO -0.01 1.10 0.26 0.00 -1.72 0.00 0.00 179.24 178.88 1va6 h ALA 318 N 0.49 0.85 -0.67 3.45 0.00 -1.24 -1.11 119.26 121.02 1va6 h ALA 318 Ca -0.02 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1va6 h ALA 318 Cb 1.07 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1va6 h ALA 318 CO 0.09 -0.16 0.41 -0.07 0.00 0.00 0.00 179.25 179.51 1va6 h LEU 319 N 0.45 0.65 -0.73 0.00 3.38 -1.20 -0.66 115.31 117.20 1va6 h LEU 319 Ca 0.33 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 1va6 h LEU 319 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1va6 h LEU 319 CO -0.31 0.44 -0.42 -0.07 0.09 0.00 0.00 178.44 178.18 1va6 h LEU 320 N 0.78 0.51 -0.05 1.67 3.38 -1.00 0.50 115.31 121.10 1va6 h LEU 320 Ca 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1va6 h LEU 320 Cb 0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1va6 h LEU 320 CO -0.13 0.86 -0.05 -0.09 0.09 0.00 0.00 178.44 179.13 1va6 h ARG 321 N 0.39 0.12 0.00 1.13 2.43 -0.39 -3.38 114.38 114.68 1va6 h ARG 321 Ca 0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1va6 h ARG 321 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1va6 h ARG 321 CO 0.08 0.57 0.00 0.41 -1.51 0.00 0.00 179.97 179.51 1va6 n GLY 322 N 0.20 0.54 1.85 2.80 0.00 -0.33 -5.10 105.19 105.14 1va6 n GLY 322 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1va6 n GLY 322 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1va6 n GLY 323 N -0.22 -2.10 3.72 -0.02 0.00 0.17 -4.79 105.19 101.94 1va6 n GLY 323 Ca 0.00 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1va6 n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1va6 s ILE 324 N -1.00 3.96 -0.26 -0.61 1.01 -1.26 -4.57 121.20 118.47 1va6 s ILE 324 Ca 0.00 1.44 -0.10 0.00 0.00 0.00 0.00 60.65 61.99 1va6 s ILE 324 Cb 0.00 -3.92 -0.15 0.00 0.01 0.00 0.00 42.46 38.40 1va6 s ILE 324 CO 0.00 0.13 -0.25 1.21 0.00 0.00 0.00 174.94 176.03 1va6 n GLU 325 N 3.71 0.61 -3.90 2.79 2.13 0.98 -4.57 120.64 122.39 1va6 n GLU 325 Ca 0.08 0.26 -0.09 0.00 0.66 0.00 0.00 57.16 58.06 1va6 n GLU 325 Cb 0.46 -1.53 -0.05 0.00 0.27 0.00 0.00 31.44 30.59 1va6 n GLU 325 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 1va6 s TYR 326 N -2.50 0.21 0.03 4.31 1.13 -0.72 -4.80 117.35 115.01 1va6 s TYR 326 Ca -0.36 -0.57 0.07 0.00 -1.41 0.00 0.00 57.07 54.80 1va6 s TYR 326 Cb 0.12 0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 41.12 1va6 s TYR 326 CO 0.54 -0.86 -0.19 0.96 -2.51 0.00 0.00 175.55 173.49 1va6 s ILE 327 N -3.95 2.71 -0.47 -3.49 -5.25 -0.53 -1.22 121.20 108.99 1va6 s ILE 327 Ca 0.16 -1.16 -0.10 0.00 -0.99 0.00 0.00 60.65 58.56 1va6 s ILE 327 Cb 0.01 -2.12 0.12 0.00 2.95 0.00 0.00 42.46 43.42 1va6 s ILE 327 CO 0.02 0.38 0.35 -0.70 -1.79 0.00 0.00 174.94 173.20 1va6 s GLU 328 N -1.31 2.55 -0.11 0.37 2.12 -0.95 -1.71 118.70 119.67 1va6 s GLU 328 Ca 0.14 -1.72 -0.30 0.00 0.36 0.00 0.00 54.97 53.45 1va6 s GLU 328 Cb -0.10 -3.95 -0.03 0.00 0.26 0.00 0.00 34.13 30.31 1va6 s GLU 328 CO 0.04 -1.18 1.26 0.08 -0.54 0.00 0.00 175.26 174.92 1va6 s VAL 329 N 1.40 4.21 -0.69 3.70 1.01 0.73 -2.09 120.40 128.66 1va6 s VAL 329 Ca 0.05 1.50 0.06 0.00 0.00 0.00 0.00 61.98 63.59 1va6 s VAL 329 Cb -0.26 -3.97 0.10 0.00 0.00 0.00 0.00 36.38 32.25 1va6 s VAL 329 CO 0.00 -0.07 0.88 0.54 0.00 0.00 0.00 175.10 176.45 1va6 n ARG 330 N 5.97 1.13 -0.17 2.72 1.74 -0.28 -0.35 116.66 127.41 1va6 n ARG 330 Ca 0.13 -1.26 0.11 0.00 -0.77 0.00 0.00 57.85 56.05 1va6 n ARG 330 Cb 0.45 -1.14 0.27 0.00 -1.02 0.00 0.00 32.46 31.03 1va6 n ARG 330 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1va6 n SER 331 N 0.25 2.73 -4.65 0.55 3.41 -1.23 -4.81 113.62 109.87 1va6 n SER 331 Ca 0.05 -1.90 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 1va6 n SER 331 Cb 0.24 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 1va6 n SER 331 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1va6 s LEU 332 N -1.40 4.09 0.77 1.04 1.43 -1.23 -4.71 118.68 118.67 1va6 s LEU 332 Ca 0.36 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 1va6 s LEU 332 Cb 0.20 -3.28 0.05 0.00 0.03 0.00 0.00 46.19 43.19 1va6 s LEU 332 CO 0.28 -0.55 1.08 -1.81 0.23 0.00 0.00 176.35 175.59 1va6 s ASP 333 N 1.29 4.59 0.24 2.29 1.01 -1.26 -0.86 116.67 123.97 1va6 s ASP 333 Ca 0.37 1.72 -0.31 0.00 0.71 0.00 0.00 52.55 55.04 1va6 s ASP 333 Cb -0.15 -2.46 -0.12 0.00 1.01 0.00 0.00 42.92 41.20 1va6 s ASP 333 CO 0.07 -1.97 1.67 -0.63 0.21 0.00 0.00 175.17 174.53 1va6 s ILE 334 N -2.95 2.04 -0.64 0.77 -1.09 -1.26 -4.54 121.20 113.53 1va6 s ILE 334 Ca 0.61 0.03 -0.28 0.00 -2.23 0.00 0.00 60.65 58.78 1va6 s ILE 334 Cb -0.16 -3.02 0.03 0.00 -1.58 0.00 0.00 42.46 37.72 1va6 s ILE 334 CO 0.56 0.00 1.27 0.21 -1.23 0.00 0.00 174.94 175.75 1va6 s ASN 335 N 0.90 6.27 0.25 3.58 3.84 -0.08 -4.60 114.94 125.09 1va6 s ASN 335 Ca 0.70 -0.08 0.22 0.00 0.21 0.00 0.00 52.86 53.92 1va6 s ASN 335 Cb -0.49 -2.55 0.97 0.00 -0.55 0.00 0.00 41.25 38.62 1va6 s ASN 335 CO 0.39 -1.67 1.67 -0.81 -2.79 0.00 0.00 177.10 173.89 1va6 n PRO 336 N 8.85 0.17 -0.56 0.43 -0.04 -1.25 -2.49 135.00 140.11 1va6 n PRO 336 Ca 0.07 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.07 1va6 n PRO 336 Cb 0.49 -1.85 0.34 0.00 -0.04 0.00 0.00 33.50 32.43 1va6 n PRO 336 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1va6 n PHE 337 N -2.18 1.36 -4.29 0.54 3.72 -1.26 -4.84 117.46 110.51 1va6 n PHE 337 Ca 0.02 -0.55 -0.23 0.00 -0.05 0.00 0.00 57.45 56.64 1va6 n PHE 337 Cb 0.19 -0.21 -0.17 0.00 -0.94 0.00 0.00 39.48 38.36 1va6 n PHE 337 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1va6 s SER 338 N -0.88 1.46 0.61 4.37 0.15 -1.04 -5.02 113.70 113.35 1va6 s SER 338 Ca 0.48 -0.22 0.30 0.00 0.70 0.00 0.00 55.95 57.22 1va6 s SER 338 Cb 0.30 -0.65 1.72 0.00 -1.71 0.00 0.00 66.02 65.68 1va6 s SER 338 CO 0.24 -0.03 2.09 1.55 1.20 0.00 0.00 173.24 178.29 1va6 h PRO 339 N 7.26 0.00 -0.43 5.44 0.13 -1.88 -1.46 132.00 141.06 1va6 h PRO 339 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1va6 h PRO 339 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1va6 h PRO 339 CO 0.45 0.00 0.00 0.44 -0.23 0.00 0.00 178.00 178.66 1va6 n ILE 340 N -3.61 0.65 -0.97 -3.56 -5.35 -1.26 -4.96 119.36 100.30 1va6 n ILE 340 Ca 0.01 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 1va6 n ILE 340 Cb 0.33 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 1va6 n ILE 340 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1va6 n GLY 341 N 1.32 0.82 3.59 3.28 0.00 -0.55 -4.95 105.19 108.70 1va6 n GLY 341 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1va6 n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va6 s VAL 342 N -3.28 0.00 0.38 1.61 0.11 -1.26 -0.90 120.40 117.07 1va6 s VAL 342 Ca 0.00 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1va6 s VAL 342 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1va6 s VAL 342 CO 0.00 0.00 0.17 1.51 -3.33 0.00 0.00 175.10 173.45 1va6 s ASP 343 N -0.56 2.44 0.19 3.54 1.47 -1.26 -4.95 116.67 117.54 1va6 s ASP 343 Ca -0.02 -1.70 0.06 0.00 1.18 0.00 0.00 52.55 52.07 1va6 s ASP 343 Cb -0.02 0.53 0.06 0.00 -0.34 0.00 0.00 42.92 43.15 1va6 s ASP 343 CO 0.01 -0.97 1.43 -0.08 0.68 0.00 0.00 175.17 176.24 1va6 h GLU 344 N 1.89 0.09 -0.92 2.11 4.81 -1.99 -2.64 114.58 117.93 1va6 h GLU 344 Ca -0.32 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 1va6 h GLU 344 Cb 1.26 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.62 1va6 h GLU 344 CO 0.51 0.86 0.61 0.37 -0.73 0.00 0.00 179.01 180.62 1va6 h GLN 345 N 0.05 1.19 -0.17 1.92 4.15 -1.99 -0.97 115.11 119.29 1va6 h GLN 345 Ca -0.02 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.12 1va6 h GLN 345 Cb 1.43 -0.27 0.01 0.00 0.21 0.00 0.00 27.48 28.86 1va6 h GLN 345 CO 0.12 0.79 -0.68 1.96 -1.93 0.00 0.00 178.83 179.08 1va6 h GLN 346 N 1.22 0.77 -0.55 1.69 4.20 -1.90 -2.12 115.11 118.42 1va6 h GLN 346 Ca 0.34 -0.59 -0.04 0.00 0.06 0.00 0.00 58.65 58.42 1va6 h GLN 346 Cb -0.11 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1va6 h GLN 346 CO -0.08 1.21 0.21 0.28 -0.67 0.00 0.00 178.83 179.77 1va6 h VAL 347 N 0.50 1.23 -0.45 -0.54 2.07 -1.32 -1.10 116.25 116.63 1va6 h VAL 347 Ca -0.04 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 1va6 h VAL 347 Cb 1.31 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1va6 h VAL 347 CO 0.14 0.28 -0.18 0.03 0.02 0.00 0.00 177.57 177.86 1va6 h ARG 348 N 0.76 0.88 -0.54 1.57 3.08 -1.17 -1.64 114.38 117.31 1va6 h ARG 348 Ca 0.18 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 1va6 h ARG 348 Cb 0.23 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1va6 h ARG 348 CO -0.01 0.99 0.04 0.35 -1.07 0.00 0.00 179.97 180.26 1va6 h PHE 349 N 0.77 1.01 -0.25 3.04 3.57 -1.12 -2.66 116.94 121.30 1va6 h PHE 349 Ca 0.11 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 1va6 h PHE 349 Cb 0.71 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1va6 h PHE 349 CO 0.04 0.91 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.81 1va6 h LEU 350 N 0.82 0.40 -0.08 0.59 3.38 -0.98 -0.35 115.31 119.09 1va6 h LEU 350 Ca 0.16 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1va6 h LEU 350 Cb 0.48 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1va6 h LEU 350 CO 0.02 0.58 -0.16 0.44 0.09 0.00 0.00 178.44 179.41 1va6 h ASP 351 N 0.39 -0.50 -0.36 -0.43 5.19 -1.11 -0.17 116.42 119.42 1va6 h ASP 351 Ca 0.07 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.52 1va6 h ASP 351 Cb 0.50 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.22 1va6 h ASP 351 CO 0.03 -0.22 0.04 -0.07 -3.12 0.00 0.00 179.24 175.90 1va6 h LEU 352 N -0.23 0.60 -0.38 1.55 3.38 -1.03 -1.98 115.31 117.21 1va6 h LEU 352 Ca 0.08 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1va6 h LEU 352 Cb 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1va6 h LEU 352 CO -0.22 0.72 -0.25 0.15 0.09 0.00 0.00 178.44 178.94 1va6 h PHE 353 N 0.45 0.99 -0.44 1.13 3.57 -1.01 -0.88 116.94 120.74 1va6 h PHE 353 Ca 0.11 -0.26 -0.08 0.00 3.53 0.00 0.00 57.97 61.27 1va6 h PHE 353 Cb 0.39 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1va6 h PHE 353 CO 0.03 1.04 -0.02 0.52 -2.23 0.00 0.00 178.31 177.65 1va6 h MET 354 N 0.65 0.79 -0.97 1.11 2.86 -1.02 -0.72 114.93 117.64 1va6 h MET 354 Ca 0.08 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1va6 h MET 354 Cb 0.82 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1va6 h MET 354 CO 0.07 0.87 0.63 0.28 1.06 0.00 0.00 176.91 179.82 1va6 h VAL 355 N 0.63 1.19 -0.51 -2.22 2.07 -1.30 -1.89 116.25 114.23 1va6 h VAL 355 Ca 0.12 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1va6 h VAL 355 Cb 0.53 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1va6 h VAL 355 CO 0.03 0.23 -0.09 -0.25 0.02 0.00 0.00 177.57 177.50 1va6 h TRP 356 N 1.25 1.03 -0.02 1.57 7.01 -0.84 -2.27 115.95 123.67 1va6 h TRP 356 Ca 0.38 -0.20 -0.03 0.00 2.11 0.00 0.00 58.89 61.15 1va6 h TRP 356 Cb -0.04 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 26.75 1va6 h TRP 356 CO -0.01 0.97 -0.11 0.00 -2.79 0.00 0.00 178.44 176.50 1va6 h ALA 358 N 1.86 0.90 0.12 0.00 0.00 -0.80 -3.34 119.26 118.00 1va6 h ALA 358 Ca 0.01 -0.18 -0.35 0.00 0.00 0.00 0.00 54.91 54.39 1va6 h ALA 358 Cb 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1va6 h ALA 358 CO 0.01 0.24 -1.91 -0.07 0.00 0.00 0.00 179.25 177.53 1va6 h LEU 359 N 0.00 0.41 -9.95 0.00 3.38 -0.84 -3.47 115.31 104.83 1va6 h LEU 359 Ca -0.00 -0.84 -0.49 0.00 0.09 0.00 0.00 57.88 56.64 1va6 h LEU 359 Cb 1.01 -0.13 0.03 0.00 0.09 0.00 0.00 40.66 41.66 1va6 h LEU 359 CO 0.03 1.74 0.43 0.00 0.09 0.00 0.00 178.44 180.73 1va6 s ALA 360 N -2.57 3.10 0.30 1.53 0.00 -0.63 -4.77 121.76 118.72 1va6 s ALA 360 Ca -0.19 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 1va6 s ALA 360 Cb 0.07 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 1va6 s ALA 360 CO 0.79 -0.28 1.36 -0.51 0.00 0.00 0.00 175.76 177.12 1va6 s ASP 361 N -1.47 6.72 -0.29 0.00 1.01 -1.26 -4.95 116.67 116.43 1va6 s ASP 361 Ca 0.57 2.68 -0.02 0.00 0.71 0.00 0.00 52.55 56.49 1va6 s ASP 361 Cb -0.24 -2.64 0.10 0.00 1.01 0.00 0.00 42.92 41.15 1va6 s ASP 361 CO 0.30 -0.61 0.10 0.00 0.21 0.00 0.00 175.17 175.18 1va6 s ALA 362 N -0.66 1.15 0.54 5.23 0.00 -1.26 -5.00 121.76 121.76 1va6 s ALA 362 Ca 0.53 -1.37 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 1va6 s ALA 362 Cb -0.41 -1.50 -0.08 0.00 0.00 0.00 0.00 23.12 21.14 1va6 s ALA 362 CO 0.49 -1.62 0.78 -2.30 0.00 0.00 0.00 175.76 173.11 1va6 n PRO 363 N 5.01 0.82 -1.64 0.00 -0.02 -1.26 -4.90 135.00 133.00 1va6 n PRO 363 Ca -0.04 0.31 -0.38 0.00 -2.02 0.00 0.00 63.50 61.36 1va6 n PRO 363 Cb 0.42 -1.92 0.04 0.00 -0.02 0.00 0.00 33.50 32.03 1va6 n PRO 363 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1va6 n GLU 364 N -0.30 1.14 -4.35 -0.52 1.02 -1.26 -5.00 120.64 111.37 1va6 n GLU 364 Ca 0.12 0.43 -0.24 0.00 -0.02 0.00 0.00 57.16 57.45 1va6 n GLU 364 Cb 0.45 -2.24 -0.17 0.00 -0.02 0.00 0.00 31.44 29.46 1va6 n GLU 364 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1va6 s MET 365 N -2.69 1.43 1.00 3.49 -1.94 -1.26 -5.12 119.30 114.22 1va6 s MET 365 Ca 0.73 -0.30 -0.16 0.00 -1.71 0.00 0.00 55.69 54.26 1va6 s MET 365 Cb -0.44 -1.28 0.20 0.00 2.01 0.00 0.00 34.83 35.32 1va6 s MET 365 CO 0.49 -0.06 1.23 -1.54 -0.01 0.00 0.00 175.02 175.13 1va6 s SER 366 N 0.93 2.75 0.31 3.03 1.04 -1.26 -4.61 113.70 115.88 1va6 s SER 366 Ca -0.10 0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.84 1va6 s SER 366 Cb -0.15 -0.72 0.50 0.00 0.10 0.00 0.00 66.02 65.76 1va6 s SER 366 CO 0.01 -2.98 1.89 0.28 0.98 0.00 0.00 173.24 173.41 1va6 h SER 367 N -1.81 0.71 1.28 7.02 0.02 -1.89 -1.58 113.55 117.31 1va6 h SER 367 Ca -0.46 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.26 1va6 h SER 367 Cb 1.27 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1va6 h SER 367 CO 0.43 0.66 -0.74 0.77 -1.14 0.00 0.00 176.83 176.81 1va6 h SER 368 N 0.77 0.00 -0.31 3.07 4.64 -1.97 -1.87 113.55 117.89 1va6 h SER 368 Ca 0.18 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 1va6 h SER 368 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1va6 h SER 368 CO -0.01 0.64 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.88 1va6 h GLU 369 N 0.00 0.85 -0.36 4.77 5.08 -1.84 -2.64 114.58 120.44 1va6 h GLU 369 Ca -0.03 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 1va6 h GLU 369 Cb 1.51 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 1va6 h GLU 369 CO 0.08 1.08 0.11 -0.07 -1.00 0.00 0.00 179.01 179.21 1va6 h LEU 370 N 0.70 0.54 -2.00 1.33 3.38 -1.25 -2.73 115.31 115.28 1va6 h LEU 370 Ca 0.06 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1va6 h LEU 370 Cb 0.95 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1va6 h LEU 370 CO 0.09 0.60 0.15 0.00 0.09 0.00 0.00 178.44 179.37 1va6 h ALA 371 N 0.95 2.19 0.00 1.53 0.00 -1.31 -2.26 119.26 120.36 1va6 h ALA 371 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1va6 h ALA 371 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1va6 h ALA 371 CO -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1va6 h THR 373 N 0.00 0.00 0.00 0.00 1.35 -1.30 -3.20 112.91 109.76 1va6 h THR 373 Ca 0.00 -0.38 -0.05 0.00 -0.55 0.00 0.00 66.41 65.43 1va6 h THR 373 Cb 0.83 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1va6 h THR 373 CO 0.00 0.00 -0.22 -0.09 -0.25 0.00 0.00 175.52 174.96 1va6 h ARG 374 N 0.00 0.00 -0.12 4.72 2.43 -1.60 -3.28 114.38 116.53 1va6 h ARG 374 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1va6 h ARG 374 Cb 0.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1va6 h ARG 374 CO 0.00 0.22 0.05 0.28 -1.51 0.00 0.00 179.97 179.00 1va6 h VAL 375 N 0.00 0.98 -0.56 0.20 2.07 -1.76 0.24 116.25 117.42 1va6 h VAL 375 Ca -0.00 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1va6 h VAL 375 Cb 0.59 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1va6 h VAL 375 CO 0.03 0.02 0.31 0.78 0.02 0.00 0.00 177.57 178.72 1va6 h ASN 376 N 0.11 0.70 -0.28 0.57 2.35 -1.81 -1.33 115.58 115.89 1va6 h ASN 376 Ca 0.05 -0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1va6 h ASN 376 Cb 0.02 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 1va6 h ASN 376 CO -0.04 0.59 -0.08 -0.50 -1.65 0.00 0.00 177.43 175.75 1va6 h TRP 377 N 0.75 -0.17 -0.75 1.19 4.06 -1.49 -0.88 115.95 118.66 1va6 h TRP 377 Ca 0.20 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.17 1va6 h TRP 377 Cb 0.05 0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.29 1va6 h TRP 377 CO -0.01 -0.13 0.44 -0.91 -3.56 0.00 0.00 178.44 174.27 1va6 h ASN 378 N -0.01 0.91 -0.45 -3.49 2.35 -0.38 0.34 115.58 114.85 1va6 h ASN 378 Ca 0.13 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1va6 h ASN 378 Cb 0.22 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1va6 h ASN 378 CO -0.29 0.71 0.27 0.03 -1.65 0.00 0.00 177.43 176.49 1va6 h ARG 379 N 1.04 0.52 -0.11 0.81 3.08 -0.49 -0.69 114.38 118.54 1va6 h ARG 379 Ca 0.27 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 60.11 1va6 h ARG 379 Cb -0.02 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 29.92 1va6 h ARG 379 CO -0.05 0.34 -0.62 0.28 -1.07 0.00 0.00 179.97 178.86 1va6 h VAL 380 N 0.53 1.33 -0.18 2.04 2.07 -0.06 -0.12 116.25 121.87 1va6 h VAL 380 Ca 0.18 -1.90 0.03 0.00 0.82 0.00 0.00 66.70 65.83 1va6 h VAL 380 Cb 0.01 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1va6 h VAL 380 CO -0.08 0.58 -0.00 0.40 0.02 0.00 0.00 177.57 178.49 1va6 h ILE 381 N 0.27 0.87 0.00 4.57 2.04 -0.28 -0.77 117.51 124.21 1va6 h ILE 381 Ca -0.04 -0.02 -0.20 0.00 1.00 0.00 0.00 64.86 65.59 1va6 h ILE 381 Cb 1.26 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1va6 h ILE 381 CO 0.13 0.01 -1.52 0.18 0.00 0.00 0.00 178.15 176.95 1va6 n LEU 382 N -5.14 0.83 -2.00 1.44 4.77 -0.28 -1.51 117.00 115.11 1va6 n LEU 382 Ca -0.03 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.30 1va6 n LEU 382 Cb 0.10 0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1va6 n LEU 382 CO 0.27 0.21 0.38 -1.84 -1.33 0.00 0.00 177.39 175.09 1va6 n GLU 383 N -2.92 0.81 0.08 3.23 0.28 -0.11 -3.18 120.64 118.83 1va6 n GLU 383 Ca -0.12 -1.56 0.05 0.00 -0.16 0.00 0.00 57.16 55.37 1va6 n GLU 383 Cb 0.90 0.11 0.48 0.00 1.43 0.00 0.00 31.44 34.36 1va6 n GLU 383 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1va6 h GLY 384 N 0.89 0.41 -1.63 -1.84 0.00 -0.34 -2.42 103.07 98.14 1va6 h GLY 384 Ca -0.42 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1va6 h GLY 384 CO -0.14 0.15 0.00 0.54 0.00 0.00 0.00 176.54 177.10 1va6 n ARG 385 N -4.48 2.08 -2.16 4.80 1.74 -0.61 -4.92 116.66 113.11 1va6 n ARG 385 Ca 0.01 -1.66 -0.42 0.00 -0.77 0.00 0.00 57.85 55.01 1va6 n ARG 385 Cb 0.08 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1va6 n ARG 385 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1va6 s LYS 386 N -1.47 4.24 0.23 5.56 2.20 -0.91 -4.93 119.74 124.66 1va6 s LYS 386 Ca 0.33 2.02 -0.32 0.00 -0.36 0.00 0.00 55.97 57.65 1va6 s LYS 386 Cb 0.18 -3.69 -0.13 0.00 -1.51 0.00 0.00 37.83 32.68 1va6 s LYS 386 CO 0.24 -0.67 1.59 -2.30 -0.36 0.00 0.00 175.35 173.85 1va6 n PRO 387 N 5.94 2.48 -0.44 4.03 -0.02 -1.26 -2.01 135.00 143.72 1va6 n PRO 387 Ca 0.14 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1va6 n PRO 387 Cb 0.43 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1va6 n PRO 387 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1va6 n GLY 388 N 2.91 0.72 3.74 -1.23 0.00 -1.26 -5.02 105.19 105.06 1va6 n GLY 388 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1va6 n GLY 388 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1va6 s LEU 389 N 0.00 4.35 0.23 0.99 2.96 -0.85 -4.91 118.68 121.46 1va6 s LEU 389 Ca 0.00 2.89 0.11 0.00 -0.22 0.00 0.00 54.13 56.90 1va6 s LEU 389 Cb 0.00 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1va6 s LEU 389 CO 0.00 -0.89 -0.14 0.42 -1.32 0.00 0.00 176.35 174.41 1va6 s THR 390 N 0.25 2.83 0.31 3.68 -4.23 -1.26 -2.04 115.64 115.18 1va6 s THR 390 Ca 0.65 -2.03 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 1va6 s THR 390 Cb -0.47 -2.44 -0.06 0.00 1.34 0.00 0.00 72.50 70.87 1va6 s THR 390 CO 0.44 -0.26 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.42 1va6 s LEU 391 N -3.18 2.62 0.37 4.79 1.43 0.11 -4.85 118.68 119.97 1va6 s LEU 391 Ca 0.27 -1.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 1va6 s LEU 391 Cb -0.07 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1va6 s LEU 391 CO 0.15 -0.25 0.10 -0.83 0.23 0.00 0.00 176.35 175.75 1va6 s GLY 392 N -3.53 2.36 -0.77 -3.19 0.00 -1.26 -1.01 107.32 99.92 1va6 s GLY 392 Ca 0.31 -1.55 -0.18 0.00 0.00 0.00 0.00 44.72 43.30 1va6 s GLY 392 CO 0.14 -1.81 0.89 -0.42 0.00 0.00 0.00 173.10 171.91 1va6 s ILE 393 N -3.29 4.90 0.00 0.90 1.01 -1.26 -4.89 121.20 118.56 1va6 s ILE 393 Ca 0.29 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.51 1va6 s ILE 393 Cb 0.05 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1va6 s ILE 393 CO 0.15 -1.28 0.00 0.61 0.00 0.00 0.00 174.94 174.42 1va6 n GLY 394 N 5.10 0.41 0.01 6.18 0.00 -1.26 -3.11 105.19 112.52 1va6 n GLY 394 Ca 0.08 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1va6 n GLY 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va6 n GLU 396 N -1.45 -0.89 -1.63 0.00 1.02 -1.18 -4.90 120.64 111.61 1va6 n GLU 396 Ca 0.07 -0.20 -0.49 0.00 -0.02 0.00 0.00 57.16 56.52 1va6 n GLU 396 Cb 0.33 -2.30 -0.05 0.00 -0.02 0.00 0.00 31.44 29.40 1va6 n GLU 396 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1va6 n THR 397 N -4.39 0.02 -1.68 2.62 -1.04 -1.26 -4.56 114.28 103.99 1va6 n THR 397 Ca 0.10 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.68 1va6 n THR 397 Cb 0.53 -1.21 -0.03 0.00 -1.82 0.00 0.00 70.33 67.79 1va6 n THR 397 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1va6 n ALA 398 N 3.14 2.06 0.00 2.41 0.00 -1.26 -4.60 120.51 122.26 1va6 n ALA 398 Ca 0.18 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1va6 n ALA 398 Cb 0.24 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1va6 n ALA 398 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1va6 n GLN 399 N 6.17 2.87 -3.53 0.00 6.02 -0.34 -4.86 117.38 123.72 1va6 n GLN 399 Ca 0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.80 1va6 n GLN 399 Cb 0.38 -0.72 -0.10 0.00 1.02 0.00 0.00 30.24 30.83 1va6 n GLN 399 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1va6 s PHE 400 N -1.05 3.27 0.29 1.08 0.08 -0.18 -4.85 117.98 116.62 1va6 s PHE 400 Ca 0.00 0.28 -0.30 0.00 0.12 0.00 0.00 56.93 57.03 1va6 s PHE 400 Cb 0.00 -2.42 -0.11 0.00 -0.57 0.00 0.00 43.02 39.91 1va6 s PHE 400 CO 0.00 -0.11 1.58 -2.14 -0.10 0.00 0.00 175.22 174.45 1va6 s PRO 401 N 1.64 4.13 0.19 0.24 0.02 -1.26 0.03 135.00 140.00 1va6 s PRO 401 Ca 0.11 2.56 -0.12 0.00 0.02 0.00 0.00 61.00 63.56 1va6 s PRO 401 Cb -0.15 -3.03 0.15 0.00 0.02 0.00 0.00 34.50 31.49 1va6 s PRO 401 CO 0.09 -0.62 1.80 1.25 -0.33 0.00 0.00 177.00 179.20 1va6 h LEU 402 N 4.87 0.47 -0.29 -5.54 6.46 -1.76 -2.51 115.31 117.02 1va6 h LEU 402 Ca -0.47 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.30 1va6 h LEU 402 Cb 1.22 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1va6 h LEU 402 CO 0.79 0.32 0.15 -0.65 -0.62 0.00 0.00 178.44 178.44 1va6 h PRO 403 N 0.60 0.40 -1.00 5.25 0.11 -1.85 -1.25 132.00 134.26 1va6 h PRO 403 Ca 0.24 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.37 1va6 h PRO 403 Cb 0.10 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.06 1va6 h PRO 403 CO -0.14 0.35 0.65 0.37 -0.21 0.00 0.00 178.00 179.02 1va6 h GLN 404 N 0.34 1.11 -0.42 1.05 4.15 -1.90 -1.26 115.11 118.18 1va6 h GLN 404 Ca 0.10 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 1va6 h GLN 404 Cb 0.07 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1va6 h GLN 404 CO -0.02 0.73 -0.19 0.28 -1.93 0.00 0.00 178.83 177.71 1va6 h VAL 405 N 1.14 1.28 -0.17 2.39 2.07 -0.98 -1.99 116.25 119.99 1va6 h VAL 405 Ca 0.44 -1.33 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 1va6 h VAL 405 Cb 0.23 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1va6 h VAL 405 CO -0.19 0.45 -0.43 1.23 0.02 0.00 0.00 177.57 178.65 1va6 h GLY 406 N 0.69 0.44 1.47 2.17 0.00 -0.94 -1.99 103.07 104.91 1va6 h GLY 406 Ca 0.10 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 1va6 h GLY 406 CO 0.06 0.40 -0.18 0.50 0.00 0.00 0.00 176.54 177.31 1va6 h LYS 407 N 0.33 0.62 -0.04 4.80 1.57 -1.14 -1.35 116.57 121.36 1va6 h LYS 407 Ca 0.03 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1va6 h LYS 407 Cb 0.89 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1va6 h LYS 407 CO 0.07 0.77 0.01 0.22 -0.57 0.00 0.00 179.45 179.95 1va6 h ASP 408 N 0.56 0.07 -0.84 0.86 1.82 -0.97 -1.82 116.42 116.10 1va6 h ASP 408 Ca 0.09 -0.26 0.11 0.00 -0.39 0.00 0.00 57.03 56.57 1va6 h ASP 408 Cb 0.63 -0.02 -0.08 0.00 0.68 0.00 0.00 39.33 40.54 1va6 h ASP 408 CO 0.04 0.32 0.47 0.25 -1.61 0.00 0.00 179.24 178.71 1va6 h LEU 409 N -0.18 0.66 -0.75 2.28 5.85 -1.24 -2.92 115.31 119.01 1va6 h LEU 409 Ca 0.01 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1va6 h LEU 409 Cb 0.28 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1va6 h LEU 409 CO 0.00 0.36 -0.34 -0.26 -0.34 0.00 0.00 178.44 177.86 1va6 h PHE 410 N 0.77 0.00 -0.94 1.25 -1.00 -0.84 -1.44 116.94 114.72 1va6 h PHE 410 Ca 0.42 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.19 1va6 h PHE 410 Cb 0.43 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.94 1va6 h PHE 410 CO -0.06 0.34 0.58 0.00 -1.61 0.00 0.00 178.31 177.55 1va6 h ARG 411 N 0.00 1.27 -0.20 1.51 3.08 -1.14 -0.45 114.38 118.45 1va6 h ARG 411 Ca -0.00 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1va6 h ARG 411 Cb 0.96 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1va6 h ARG 411 CO 0.04 0.88 -0.18 -0.44 -1.07 0.00 0.00 179.97 179.21 1va6 h ASP 412 N 1.30 0.51 -0.84 7.04 3.32 -1.46 -3.18 116.42 123.10 1va6 h ASP 412 Ca 0.34 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1va6 h ASP 412 Cb -0.08 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1va6 h ASP 412 CO -0.07 0.87 0.56 -0.07 -1.72 0.00 0.00 179.24 178.81 1va6 h LEU 413 N 0.16 0.95 -1.60 1.55 3.38 -1.04 -1.66 115.31 117.05 1va6 h LEU 413 Ca 0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1va6 h LEU 413 Cb 0.71 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1va6 h LEU 413 CO 0.05 0.67 -0.22 0.50 0.09 0.00 0.00 178.44 179.53 1va6 h LYS 414 N 1.11 0.00 -0.16 1.13 3.64 -1.12 0.53 116.57 121.70 1va6 h LYS 414 Ca 0.32 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.51 1va6 h LYS 414 Cb -0.07 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1va6 h LYS 414 CO -0.08 0.22 -0.65 0.00 -2.27 0.00 0.00 179.45 176.67 1va6 h ARG 415 N 0.00 0.72 -0.83 1.90 3.08 -1.30 -0.50 114.38 117.46 1va6 h ARG 415 Ca -0.00 -0.56 -0.02 0.00 0.07 0.00 0.00 59.98 59.46 1va6 h ARG 415 Cb 0.42 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1va6 h ARG 415 CO 0.03 1.18 0.43 0.28 -1.07 0.00 0.00 179.97 180.82 1va6 h VAL 416 N 0.43 1.25 -0.75 2.04 2.07 -1.09 -2.86 116.25 117.35 1va6 h VAL 416 Ca -0.04 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1va6 h VAL 416 Cb 1.28 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1va6 h VAL 416 CO 0.14 0.29 0.23 0.00 0.02 0.00 0.00 177.57 178.24 1va6 h ALA 417 N 1.23 0.98 -0.69 1.67 0.00 -0.70 -1.75 119.26 120.00 1va6 h ALA 417 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1va6 h ALA 417 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1va6 h ALA 417 CO -0.04 0.67 0.38 1.96 0.00 0.00 0.00 179.25 182.22 1va6 h GLN 418 N 1.11 0.95 -0.20 0.00 4.20 -0.90 -0.20 115.11 120.07 1va6 h GLN 418 Ca 0.24 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1va6 h GLN 418 Cb 0.32 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1va6 h GLN 418 CO -0.01 0.69 -0.09 1.15 -0.67 0.00 0.00 178.83 179.90 1va6 h THR 419 N 0.96 1.30 -0.51 -0.54 2.02 -1.24 -2.19 112.91 112.71 1va6 h THR 419 Ca 0.25 -1.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 1va6 h THR 419 Cb 0.01 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1va6 h THR 419 CO -0.04 0.35 0.06 -0.07 0.37 0.00 0.00 175.52 176.19 1va6 h LEU 420 N 0.13 0.77 -0.21 2.58 3.38 -1.02 -2.50 115.31 118.43 1va6 h LEU 420 Ca 0.05 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.65 1va6 h LEU 420 Cb 0.58 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1va6 h LEU 420 CO 0.03 0.80 -0.67 0.44 0.09 0.00 0.00 178.44 179.12 1va6 h ASP 421 N 0.77 0.95 0.28 -0.43 3.32 -1.03 -2.35 116.42 117.94 1va6 h ASP 421 Ca 0.16 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1va6 h ASP 421 Cb 0.38 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1va6 h ASP 421 CO 0.01 1.38 -0.05 0.77 -1.72 0.00 0.00 179.24 179.63 1va6 h SER 422 N 0.58 0.00 0.08 6.45 4.64 -1.21 0.41 113.55 124.51 1va6 h SER 422 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1va6 h SER 422 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1va6 h SER 422 CO 0.14 0.05 -0.04 0.40 -0.87 0.00 0.00 176.83 176.51 1va6 h ILE 423 N 0.00 0.48 0.00 0.95 2.04 -1.31 -3.37 117.51 116.29 1va6 h ILE 423 Ca -0.00 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1va6 h ILE 423 Cb 0.20 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1va6 h ILE 423 CO 0.01 0.15 0.00 0.59 0.00 0.00 0.00 178.15 178.90 1va6 n ASN 424 N -4.82 0.79 0.00 1.72 5.03 -0.90 -5.03 115.26 112.05 1va6 n ASN 424 Ca -0.04 0.62 0.00 0.00 0.87 0.00 0.00 54.58 56.03 1va6 n ASN 424 Cb 0.16 -0.82 0.00 0.00 -1.02 0.00 0.00 39.78 38.11 1va6 n ASN 424 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1va6 n GLY 425 N 0.74 -2.49 6.15 7.41 0.00 0.14 -5.07 105.19 112.07 1va6 n GLY 425 Ca 0.04 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1va6 n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1va6 n GLY 426 N -2.05 -1.83 0.05 -0.02 0.00 -1.25 -4.75 105.19 95.34 1va6 n GLY 426 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1va6 n GLY 426 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1va6 n GLU 427 N 0.00 0.56 -0.21 1.61 1.02 -1.26 -4.63 120.64 117.74 1va6 n GLU 427 Ca 0.00 -0.78 0.01 0.00 -0.02 0.00 0.00 57.16 56.37 1va6 n GLU 427 Cb 0.00 -0.61 0.12 0.00 -0.02 0.00 0.00 31.44 30.92 1va6 n GLU 427 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1va6 h ALA 428 N 0.00 0.76 -0.31 0.62 0.00 -1.96 -0.72 119.26 117.64 1va6 h ALA 428 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1va6 h ALA 428 Cb 0.95 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1va6 h ALA 428 CO 0.00 -0.28 0.09 1.88 0.00 0.00 0.00 179.25 180.93 1va6 h TYR 429 N 0.29 0.51 -0.50 0.00 0.05 -1.92 -1.85 116.97 113.56 1va6 h TYR 429 Ca 0.33 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 59.00 1va6 h TYR 429 Cb 0.48 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1va6 h TYR 429 CO -0.23 0.53 0.11 1.96 -1.05 0.00 0.00 178.16 179.48 1va6 h GLN 430 N 0.35 0.76 -0.46 4.88 4.20 -1.63 -2.35 115.11 120.86 1va6 h GLN 430 Ca 0.10 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 1va6 h GLN 430 Cb 0.27 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1va6 h GLN 430 CO -0.00 0.70 -0.11 -0.22 -0.67 0.00 0.00 178.83 178.53 1va6 h LYS 431 N 0.73 0.84 -0.66 1.46 3.64 -1.01 -2.30 116.57 119.28 1va6 h LYS 431 Ca 0.16 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1va6 h LYS 431 Cb 0.29 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1va6 h LYS 431 CO -0.00 0.91 0.12 0.28 -2.27 0.00 0.00 179.45 178.49 1va6 h VAL 432 N 0.76 1.26 -0.68 2.00 2.07 -0.84 -1.90 116.25 118.93 1va6 h VAL 432 Ca 0.13 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1va6 h VAL 432 Cb 0.61 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1va6 h VAL 432 CO 0.04 0.38 0.31 0.00 0.02 0.00 0.00 177.57 178.32 1va6 h ASP 434 N 0.95 0.89 -0.11 0.00 3.32 -1.19 -1.52 116.42 118.75 1va6 h ASP 434 Ca 0.23 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1va6 h ASP 434 Cb 0.15 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1va6 h ASP 434 CO -0.03 0.79 0.02 -0.33 -1.72 0.00 0.00 179.24 177.97 1va6 h GLU 435 N 0.93 0.19 0.01 3.56 5.08 -1.19 -3.33 114.58 119.84 1va6 h GLU 435 Ca 0.23 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 1va6 h GLU 435 Cb 0.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1va6 h GLU 435 CO -0.02 0.39 -0.91 -0.07 -1.00 0.00 0.00 179.01 177.39 1va6 h LEU 436 N -0.04 0.24 -1.49 1.33 3.38 -1.26 -3.21 115.31 114.25 1va6 h LEU 436 Ca 0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1va6 h LEU 436 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1va6 h LEU 436 CO 0.00 1.03 -0.26 1.62 0.09 0.00 0.00 178.44 180.92 1va6 h VAL 437 N 0.09 1.10 0.00 1.22 3.04 -1.38 -0.88 116.25 119.44 1va6 h VAL 437 Ca -0.05 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1va6 h VAL 437 Cb 1.56 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 32.34 1va6 h VAL 437 CO 0.14 0.25 0.00 0.00 -1.01 0.00 0.00 177.57 176.95 1va6 h ALA 438 N 1.74 1.00 0.00 3.17 0.00 -1.66 -2.65 119.26 120.87 1va6 h ALA 438 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1va6 h ALA 438 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1va6 h ALA 438 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1va6 h PHE 440 N 0.00 0.74 0.00 0.00 0.04 -1.66 -2.72 116.94 113.34 1va6 h PHE 440 Ca 0.00 -0.51 -0.07 0.00 2.80 0.00 0.00 57.97 60.20 1va6 h PHE 440 Cb 0.42 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1va6 h PHE 440 CO 0.00 1.38 -0.31 -0.44 -0.60 0.00 0.00 178.31 178.33 1va6 h ASP 441 N -0.11 0.00 -2.78 2.17 3.32 -1.76 -3.41 116.42 113.85 1va6 h ASP 441 Ca -0.17 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.27 1va6 h ASP 441 Cb 1.77 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.92 1va6 h ASP 441 CO 0.19 0.31 -0.76 0.21 -1.72 0.00 0.00 179.24 177.48 1va6 s ASN 442 N -6.36 3.27 0.53 6.45 3.84 -0.89 -4.96 114.94 116.82 1va6 s ASN 442 Ca 0.05 -3.48 0.36 0.00 0.21 0.00 0.00 52.86 50.00 1va6 s ASN 442 Cb 0.07 -1.08 1.88 0.00 -0.55 0.00 0.00 41.25 41.57 1va6 s ASN 442 CO 0.71 -0.13 2.09 -0.65 -2.79 0.00 0.00 177.10 176.34 1va6 h PRO 443 N 5.53 0.00 0.00 0.43 0.11 -1.72 -2.41 132.00 133.94 1va6 h PRO 443 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1va6 h PRO 443 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1va6 h PRO 443 CO 0.56 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.10 1va6 n ASP 444 N -2.79 0.36 -0.01 -2.05 8.00 -1.26 -1.89 116.55 116.91 1va6 n ASP 444 Ca -0.02 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.23 1va6 n ASP 444 Cb 0.09 -0.69 0.38 0.00 -0.02 0.00 0.00 41.12 40.89 1va6 n ASP 444 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1va6 n LEU 445 N -1.93 0.35 -4.78 0.64 4.77 -0.91 -4.30 117.00 110.84 1va6 n LEU 445 Ca 0.01 0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.85 1va6 n LEU 445 Cb 0.12 -0.33 0.11 0.00 -2.33 0.00 0.00 43.42 41.00 1va6 n LEU 445 CO 0.12 0.09 0.70 0.42 -1.33 0.00 0.00 177.39 177.39 1va6 s THR 446 N -2.98 2.66 0.30 -5.08 -4.23 -0.79 -4.88 115.64 100.63 1va6 s THR 446 Ca 0.13 0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 1va6 s THR 446 Cb 0.18 -2.91 0.10 0.00 1.34 0.00 0.00 72.50 71.21 1va6 s THR 446 CO 0.64 -0.28 1.77 -0.26 -0.54 0.00 0.00 174.62 175.95 1va6 h PHE 447 N -1.31 0.54 0.03 3.99 -1.00 -1.65 -2.54 116.94 115.01 1va6 h PHE 447 Ca -0.49 -0.09 -0.22 0.00 2.81 0.00 0.00 57.97 59.98 1va6 h PHE 447 Cb 1.29 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.70 1va6 h PHE 447 CO 0.40 0.64 -0.99 0.66 -1.61 0.00 0.00 178.31 177.41 1va6 h SER 448 N 0.46 0.32 -0.18 2.17 4.64 -1.40 -1.86 113.55 117.70 1va6 h SER 448 Ca 0.08 -0.29 -0.20 0.00 -0.47 0.00 0.00 61.79 60.92 1va6 h SER 448 Cb 0.55 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1va6 h SER 448 CO 0.04 1.13 -0.65 0.00 -0.87 0.00 0.00 176.83 176.48 1va6 h ALA 449 N 0.83 0.32 -0.42 5.18 0.00 -1.79 -2.17 119.26 121.21 1va6 h ALA 449 Ca -0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1va6 h ALA 449 Cb 1.66 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1va6 h ALA 449 CO 0.16 0.61 0.17 0.00 0.00 0.00 0.00 179.25 180.18 1va6 h ARG 450 N 0.48 0.62 0.05 0.00 3.08 -1.32 -0.85 114.38 116.44 1va6 h ARG 450 Ca -0.03 -0.11 -0.23 0.00 0.07 0.00 0.00 59.98 59.68 1va6 h ARG 450 Cb 1.28 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1va6 h ARG 450 CO 0.14 0.58 -1.05 0.97 -1.07 0.00 0.00 179.97 179.53 1va6 h ILE 451 N 0.53 1.59 -0.62 2.04 6.09 -1.43 -2.64 117.51 123.06 1va6 h ILE 451 Ca 0.14 -3.10 0.03 0.00 -1.37 0.00 0.00 64.86 60.56 1va6 h ILE 451 Cb 0.19 2.79 -0.04 0.00 0.47 0.00 0.00 36.82 40.23 1va6 h ILE 451 CO -0.01 0.90 0.39 0.25 -3.07 0.00 0.00 178.15 176.60 1va6 h LEU 452 N 0.05 0.63 0.04 2.19 5.85 -1.32 -1.62 115.31 121.13 1va6 h LEU 452 Ca -0.06 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1va6 h LEU 452 Cb 1.77 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 1va6 h LEU 452 CO 0.16 0.44 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.44 1va6 h ARG 453 N 0.76 -0.29 0.00 1.25 9.65 -1.10 -2.08 114.38 122.57 1va6 h ARG 453 Ca 0.25 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.11 1va6 h ARG 453 Cb 0.01 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 1va6 h ARG 453 CO -0.10 -0.20 -0.17 1.03 2.80 0.00 0.00 179.97 183.33 1va6 h SER 454 N -0.30 0.00 0.76 -3.80 0.87 -1.32 -1.01 113.55 108.75 1va6 h SER 454 Ca 0.04 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.46 1va6 h SER 454 Cb 0.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1va6 h SER 454 CO -0.14 0.17 -0.70 0.24 -0.53 0.00 0.00 176.83 175.88 1va6 h MET 455 N 0.00 0.00 0.18 2.24 2.86 -0.95 -2.76 114.93 116.50 1va6 h MET 455 Ca -0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 1va6 h MET 455 Cb 0.31 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.99 1va6 h MET 455 CO 0.02 0.70 -1.33 0.82 1.06 0.00 0.00 176.91 178.18 1va6 h ILE 456 N 0.00 1.39 0.00 -1.22 2.04 -0.77 -3.32 117.51 115.63 1va6 h ILE 456 Ca -0.01 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 1va6 h ILE 456 Cb 1.26 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 40.30 1va6 h ILE 456 CO 0.09 0.85 0.00 0.44 0.00 0.00 0.00 178.15 179.53 1va6 h ASP 457 N 0.12 0.00 0.00 1.72 5.19 -1.19 -3.46 116.42 118.81 1va6 h ASP 457 Ca -0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1va6 h ASP 457 Cb 2.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.55 1va6 h ASP 457 CO 0.24 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.71 1va6 n THR 458 N -3.01 0.00 0.00 0.35 -2.24 -1.04 -5.09 114.28 103.25 1va6 n THR 458 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1va6 n THR 458 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1va6 n THR 458 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1va6 n THR 463 N 0.00 0.00 -0.25 4.28 -1.04 -1.26 -4.65 114.28 111.36 1va6 n THR 463 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1va6 n THR 463 Cb 0.00 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.68 1va6 n THR 463 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1va6 h GLY 464 N 0.00 0.93 0.93 3.41 0.00 -1.99 -0.32 103.07 106.03 1va6 h GLY 464 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1va6 h GLY 464 CO 0.00 -0.24 -0.07 0.50 0.00 0.00 0.00 176.54 176.72 1va6 h LYS 465 N 0.18 0.66 -0.76 4.80 1.57 -1.96 -1.69 116.57 119.37 1va6 h LYS 465 Ca 0.41 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1va6 h LYS 465 Cb 0.72 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1va6 h LYS 465 CO -0.58 0.82 0.35 0.00 -0.57 0.00 0.00 179.45 179.47 1va6 h ALA 466 N 0.82 0.98 -0.07 3.86 0.00 -1.79 -1.17 119.26 121.89 1va6 h ALA 466 Ca 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1va6 h ALA 466 Cb 0.57 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1va6 h ALA 466 CO 0.03 0.55 -0.08 0.74 0.00 0.00 0.00 179.25 180.50 1va6 h PHE 467 N 1.07 0.21 -0.86 0.00 -1.00 -1.05 -1.55 116.94 113.76 1va6 h PHE 467 Ca 0.26 -0.07 0.18 0.00 2.81 0.00 0.00 57.97 61.15 1va6 h PHE 467 Cb 0.14 -0.04 -0.11 0.00 3.61 0.00 0.00 35.95 39.55 1va6 h PHE 467 CO 0.01 0.63 0.39 0.00 -1.61 0.00 0.00 178.31 177.74 1va6 h ALA 468 N 0.55 1.32 0.16 2.45 0.00 -1.24 0.32 119.26 122.83 1va6 h ALA 468 Ca 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1va6 h ALA 468 Cb 0.60 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1va6 h ALA 468 CO 0.02 -0.23 -0.08 1.49 0.00 0.00 0.00 179.25 180.45 1va6 h GLU 469 N 0.49 -0.21 -0.93 0.00 4.57 -1.13 -0.54 114.58 116.82 1va6 h GLU 469 Ca 0.50 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.84 1va6 h GLU 469 Cb 0.85 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.41 1va6 h GLU 469 CO -0.45 0.20 0.59 0.00 -1.18 0.00 0.00 179.01 178.18 1va6 h ALA 470 N -0.05 1.76 0.01 2.92 0.00 -0.83 -1.84 119.26 121.22 1va6 h ALA 470 Ca -0.02 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1va6 h ALA 470 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1va6 h ALA 470 CO 0.04 -0.02 -0.89 1.88 0.00 0.00 0.00 179.25 180.26 1va6 h TYR 471 N 0.76 0.26 0.04 0.00 0.05 -0.30 -2.23 116.97 115.55 1va6 h TYR 471 Ca 0.47 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 59.10 1va6 h TYR 471 Cb 0.70 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.41 1va6 h TYR 471 CO -0.00 0.97 -0.02 -0.09 -1.05 0.00 0.00 178.16 177.97 1va6 h ARG 472 N 0.09 -0.06 -0.27 4.88 2.43 -0.56 -2.00 114.38 118.89 1va6 h ARG 472 Ca -0.04 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 1va6 h ARG 472 Cb 1.53 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 1va6 h ARG 472 CO 0.13 -0.04 -0.39 -0.91 -1.51 0.00 0.00 179.97 177.26 1va6 h ASN 473 N -0.06 0.68 -0.17 -3.80 2.35 -1.31 -2.14 115.58 111.13 1va6 h ASN 473 Ca -0.01 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1va6 h ASN 473 Cb 0.05 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1va6 h ASN 473 CO 0.01 0.99 0.05 0.25 -1.65 0.00 0.00 177.43 177.08 1va6 h LEU 474 N 0.53 0.24 -0.57 1.61 5.85 -1.44 -3.16 115.31 118.36 1va6 h LEU 474 Ca 0.05 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1va6 h LEU 474 Cb 0.91 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1va6 h LEU 474 CO 0.08 0.39 0.18 -0.07 -0.34 0.00 0.00 178.44 178.68 1va6 h LEU 475 N 0.08 0.84 -1.10 2.25 3.38 -1.15 -3.13 115.31 116.48 1va6 h LEU 475 Ca 0.05 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1va6 h LEU 475 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1va6 h LEU 475 CO -0.00 0.82 -0.08 0.03 0.09 0.00 0.00 178.44 179.30 1va6 h ARG 476 N 0.81 0.54 0.00 1.13 3.08 -1.44 -2.46 114.38 116.04 1va6 h ARG 476 Ca 0.18 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1va6 h ARG 476 Cb 0.29 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1va6 h ARG 476 CO -0.01 0.63 0.00 0.39 -1.07 0.00 0.00 179.97 179.91 1va6 n GLU 477 N -4.22 0.06 -3.37 0.04 -0.58 -1.19 -4.80 120.64 106.59 1va6 n GLU 477 Ca 0.01 0.29 -0.39 0.00 -0.42 0.00 0.00 57.16 56.65 1va6 n GLU 477 Cb 0.30 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.48 1va6 n GLU 477 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1va6 s GLU 478 N -3.09 4.10 0.49 3.49 2.02 -0.93 -5.06 118.70 119.72 1va6 s GLU 478 Ca 0.07 0.16 -0.23 0.00 0.02 0.00 0.00 54.97 54.99 1va6 s GLU 478 Cb 0.10 -3.60 -0.06 0.00 0.10 0.00 0.00 34.13 30.67 1va6 s GLU 478 CO 0.32 -0.17 1.29 -2.14 0.02 0.00 0.00 175.26 174.58 1va6 s PRO 479 N 1.73 3.51 0.51 0.39 0.02 -1.26 -4.99 135.00 134.91 1va6 s PRO 479 Ca 0.18 2.09 -0.23 0.00 0.02 0.00 0.00 61.00 63.06 1va6 s PRO 479 Cb -0.15 -2.41 -0.06 0.00 0.02 0.00 0.00 34.50 31.90 1va6 s PRO 479 CO 0.09 -0.85 1.34 -0.51 -0.33 0.00 0.00 177.00 176.74 1va6 s LEU 480 N -3.13 3.93 -0.11 -5.54 1.43 -1.26 -4.98 118.68 109.02 1va6 s LEU 480 Ca 0.66 2.71 0.03 0.00 -1.03 0.00 0.00 54.13 56.50 1va6 s LEU 480 Cb -0.36 -4.20 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 1va6 s LEU 480 CO 0.44 -1.38 -0.08 -0.62 0.23 0.00 0.00 176.35 174.95 1va6 n GLU 481 N -0.77 0.78 -0.07 1.70 1.02 -1.26 -4.88 120.64 117.15 1va6 n GLU 481 Ca 0.09 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.18 1va6 n GLU 481 Cb 0.45 -1.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.60 1va6 n GLU 481 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1va6 n ILE 482 N -2.74 1.41 -2.32 -3.67 5.41 -1.26 -5.02 119.36 111.17 1va6 n ILE 482 Ca -0.20 0.11 -0.28 0.00 1.00 0.00 0.00 62.75 63.37 1va6 n ILE 482 Cb 0.74 -2.14 0.01 0.00 -0.71 0.00 0.00 39.64 37.55 1va6 n ILE 482 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1va6 s LEU 483 N -7.65 3.38 0.43 1.39 1.43 -1.26 -5.12 118.68 111.29 1va6 s LEU 483 Ca -0.25 1.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.95 1va6 s LEU 483 Cb 0.05 -3.98 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 1va6 s LEU 483 CO 0.35 -0.81 0.09 -0.13 0.23 0.00 0.00 176.35 176.08 1va6 s ARG 484 N -4.96 2.10 0.36 1.70 0.52 -1.26 -4.75 118.95 112.66 1va6 s ARG 484 Ca 0.52 -2.06 0.05 0.00 -0.52 0.00 0.00 55.73 53.71 1va6 s ARG 484 Cb -0.11 -1.76 0.69 0.00 0.52 0.00 0.00 34.95 34.29 1va6 s ARG 484 CO 0.48 -0.15 1.96 0.93 0.02 0.00 0.00 175.30 178.54 1va6 h GLU 485 N 1.54 0.60 -0.10 3.54 4.39 -2.00 -2.06 114.58 120.49 1va6 h GLU 485 Ca -0.43 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.12 1va6 h GLU 485 Cb 1.26 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1va6 h GLU 485 CO 0.75 0.49 -0.25 0.93 -1.16 0.00 0.00 179.01 179.77 1va6 h GLU 486 N 0.60 0.18 -0.37 2.33 3.07 -1.99 0.35 114.58 118.75 1va6 h GLU 486 Ca 0.15 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 1va6 h GLU 486 Cb 0.12 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1va6 h GLU 486 CO -0.02 0.42 0.11 -0.44 -1.40 0.00 0.00 179.01 177.69 1va6 h ASP 487 N 0.16 0.54 -0.74 1.42 3.32 -1.78 -0.90 116.42 118.44 1va6 h ASP 487 Ca 0.03 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 1va6 h ASP 487 Cb 0.54 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1va6 h ASP 487 CO 0.04 0.61 0.26 -0.26 -1.72 0.00 0.00 179.24 178.17 1va6 h PHE 488 N 0.44 1.16 -0.35 4.55 0.04 -1.22 -1.30 116.94 120.27 1va6 h PHE 488 Ca 0.12 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1va6 h PHE 488 Cb 0.27 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1va6 h PHE 488 CO 0.01 0.91 0.05 0.28 -0.60 0.00 0.00 178.31 178.96 1va6 h VAL 489 N 1.09 1.24 -0.59 -0.55 2.07 -0.89 -1.72 116.25 116.90 1va6 h VAL 489 Ca 0.24 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 1va6 h VAL 489 Cb 0.26 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1va6 h VAL 489 CO -0.01 0.28 0.10 0.00 0.02 0.00 0.00 177.57 177.96 1va6 h ALA 490 N 0.90 1.07 -0.41 1.67 0.00 -1.06 -0.85 119.26 120.58 1va6 h ALA 490 Ca 0.10 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1va6 h ALA 490 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1va6 h ALA 490 CO 0.01 0.60 -0.27 1.49 0.00 0.00 0.00 179.25 181.08 1va6 h GLU 491 N 0.89 0.86 0.11 0.00 4.57 -1.16 -1.05 114.58 118.80 1va6 h GLU 491 Ca 0.18 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1va6 h GLU 491 Cb 0.38 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1va6 h GLU 491 CO 0.01 1.02 -0.05 -0.09 -1.18 0.00 0.00 179.01 178.72 1va6 h ARG 492 N 0.74 -0.14 -0.49 1.92 2.43 -1.06 0.99 114.38 118.76 1va6 h ARG 492 Ca 0.09 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1va6 h ARG 492 Cb 0.82 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.33 1va6 h ARG 492 CO 0.07 0.07 0.11 0.93 -1.51 0.00 0.00 179.97 179.65 1va6 h GLU 493 N -0.34 0.25 -0.39 0.20 5.08 -1.12 -1.34 114.58 116.92 1va6 h GLU 493 Ca -0.02 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 1va6 h GLU 493 Cb 0.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1va6 h GLU 493 CO 0.02 0.16 -0.37 0.00 -1.00 0.00 0.00 179.01 177.83 1va6 h ALA 494 N 1.37 0.57 -0.48 3.43 0.00 -1.09 -2.41 119.26 120.66 1va6 h ALA 494 Ca 0.25 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1va6 h ALA 494 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1va6 h ALA 494 CO -0.31 0.67 0.30 0.66 0.00 0.00 0.00 179.25 180.57 1va6 h SER 495 N 0.77 0.57 -0.95 0.00 4.64 -0.53 -0.90 113.55 117.15 1va6 h SER 495 Ca 0.06 -0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1va6 h SER 495 Cb 0.97 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.85 1va6 h SER 495 CO 0.09 0.44 0.60 -0.33 -0.87 0.00 0.00 176.83 176.77 1va6 h GLU 496 N 0.64 1.06 -0.31 4.77 5.08 -1.07 -1.24 114.58 123.51 1va6 h GLU 496 Ca 0.17 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1va6 h GLU 496 Cb -0.03 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1va6 h GLU 496 CO -0.03 0.70 0.18 0.00 -1.00 0.00 0.00 179.01 178.86 1va6 h ARG 497 N 1.09 0.42 -0.98 2.33 3.08 -1.19 -1.90 114.38 117.24 1va6 h ARG 497 Ca 0.41 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.46 1va6 h ARG 497 Cb 0.18 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 1va6 h ARG 497 CO -0.18 0.33 0.64 0.00 -1.07 0.00 0.00 179.97 179.69 1va6 h ARG 498 N 0.39 1.20 0.03 0.04 3.08 -0.14 0.45 114.38 119.43 1va6 h ARG 498 Ca 0.11 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1va6 h ARG 498 Cb 0.02 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.80 1va6 h ARG 498 CO -0.02 0.80 -0.01 0.37 -1.07 0.00 0.00 179.97 180.03 1va6 h GLN 499 N 1.24 -0.03 0.14 0.04 4.15 -1.19 -1.35 115.11 118.11 1va6 h GLN 499 Ca 0.39 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.82 1va6 h GLN 499 Cb -0.01 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1va6 h GLN 499 CO -0.12 0.10 -0.23 1.96 -1.93 0.00 0.00 178.83 178.62 1va6 h GLN 500 N -0.17 -0.42 -0.98 1.69 4.20 -0.41 0.08 115.11 119.11 1va6 h GLN 500 Ca -0.00 0.03 0.24 0.00 0.06 0.00 0.00 58.65 58.97 1va6 h GLN 500 Cb 0.16 0.10 -0.12 0.00 0.30 0.00 0.00 27.48 27.91 1va6 h GLN 500 CO 0.01 -0.28 0.55 0.93 -0.67 0.00 0.00 178.83 179.37 1va6 h GLU 501 N -0.44 0.53 -0.27 1.46 5.08 -0.12 0.18 114.58 121.01 1va6 h GLU 501 Ca 0.02 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1va6 h GLU 501 Cb 0.44 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1va6 h GLU 501 CO -0.11 0.35 -0.50 0.52 -1.00 0.00 0.00 179.01 178.28 1va6 h MET 502 N 0.55 0.76 0.00 2.33 2.86 -0.30 -2.09 114.93 119.03 1va6 h MET 502 Ca 0.62 -0.45 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1va6 h MET 502 Cb 1.18 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 1va6 h MET 502 CO -0.48 1.08 -0.16 0.93 1.06 0.00 0.00 176.91 179.34 1va6 h GLU 503 N 0.59 0.00 0.00 1.72 5.08 0.93 -2.91 114.58 120.00 1va6 h GLU 503 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1va6 h GLU 503 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1va6 h GLU 503 CO 0.11 0.16 -1.42 0.00 -1.00 0.00 0.00 179.01 176.86 1va6 n ALA 504 N -2.38 2.85 0.67 3.43 0.00 -0.54 -4.17 120.51 120.37 1va6 n ALA 504 Ca -0.02 -0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.16 1va6 n ALA 504 Cb 0.25 -0.93 0.33 0.00 0.00 0.00 0.00 19.45 19.10 1va6 n ALA 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1va6 n ALA 505 N -2.13 2.61 -1.88 0.00 0.00 -0.80 -4.84 120.51 113.48 1va6 n ALA 505 Ca -0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1va6 n ALA 505 Cb 0.53 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1va6 n ALA 505 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1va6 s ASP 506 N -4.15 6.55 -0.24 0.00 1.01 -1.17 -4.90 116.67 113.77 1va6 s ASP 506 Ca 0.09 2.60 0.06 0.00 0.71 0.00 0.00 52.55 56.01 1va6 s ASP 506 Cb 0.14 -2.57 -0.18 0.00 1.01 0.00 0.00 42.92 41.31 1va6 s ASP 506 CO 0.64 -0.90 -0.15 0.35 0.21 0.00 0.00 175.17 175.32 1va6 n THR 507 N 4.47 1.41 -3.77 -1.27 -2.24 -1.26 -5.02 114.28 106.61 1va6 n THR 507 Ca 0.16 -0.62 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 1va6 n THR 507 Cb 0.39 -1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 67.41 1va6 n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1va6 s GLU 508 N -2.49 3.53 0.57 -0.78 2.02 -1.26 -5.10 118.70 115.18 1va6 s GLU 508 Ca -0.28 -0.29 -0.17 0.00 0.02 0.00 0.00 54.97 54.25 1va6 s GLU 508 Cb 0.08 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 1va6 s GLU 508 CO 0.63 0.50 1.06 -1.25 0.02 0.00 0.00 175.26 176.22 1va6 s PRO 509 N -2.80 3.41 0.32 0.39 0.04 -1.26 -4.85 135.00 130.25 1va6 s PRO 509 Ca 0.38 1.27 0.09 0.00 0.04 0.00 0.00 61.00 62.78 1va6 s PRO 509 Cb -0.12 -2.04 0.93 0.00 0.04 0.00 0.00 34.50 33.31 1va6 s PRO 509 CO 0.27 -0.74 1.65 0.35 0.04 0.00 0.00 177.00 178.57 1va6 h PHE 510 N 0.72 0.67 -0.83 0.56 3.57 -1.97 -1.50 116.94 118.15 1va6 h PHE 510 Ca -0.48 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 1va6 h PHE 510 Cb 1.22 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1va6 h PHE 510 CO 0.58 -0.20 0.48 0.00 -2.23 0.00 0.00 178.31 176.93 1va6 h ALA 511 N 1.83 1.07 0.02 2.41 0.00 -2.02 -2.77 119.26 119.80 1va6 h ALA 511 Ca 0.66 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 55.24 1va6 h ALA 511 Cb 1.44 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1va6 h ALA 511 CO -0.64 0.55 -0.94 0.28 0.00 0.00 0.00 179.25 178.50 1va6 h VAL 512 N 1.15 1.46 -0.48 0.00 2.07 -1.65 -3.29 116.25 115.52 1va6 h VAL 512 Ca 0.30 -2.61 0.08 0.00 0.82 0.00 0.00 66.70 65.29 1va6 h VAL 512 Cb -0.00 2.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 1va6 h VAL 512 CO -0.05 0.77 0.09 -0.25 0.02 0.00 0.00 177.57 178.15 1va6 h TRP 513 N 0.15 0.14 0.28 1.57 7.01 -1.30 -3.08 115.95 120.73 1va6 h TRP 513 Ca -0.07 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 1va6 h TRP 513 Cb 1.59 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 28.64 1va6 h TRP 513 CO 0.05 -0.01 -0.35 -0.07 -2.79 0.00 0.00 178.44 175.27 1va6 h LEU 514 N 0.22 -0.99 0.00 0.65 3.38 -1.59 -3.52 115.31 113.46 1va6 h LEU 514 Ca 0.24 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1va6 h LEU 514 Cb 0.31 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1va6 h LEU 514 CO -0.32 -0.44 0.00 -0.62 0.09 0.00 0.00 178.44 177.15