#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 4.89 0.93 1.12 -1.09 -1.26 -4.99 121.20 120.80 1va6 s ILE 2 Ca 0.00 1.41 -0.11 0.00 -2.23 0.00 0.00 60.65 59.72 1va6 s ILE 2 Cb 0.00 -4.05 0.10 0.00 -1.58 0.00 0.00 42.46 36.93 1va6 s ILE 2 CO 0.00 -0.03 0.83 -2.65 -1.23 0.00 0.00 174.94 171.86 1va6 n PRO 3 N 5.84 -0.40 -2.83 2.79 -0.02 -1.26 -4.95 135.00 134.18 1va6 n PRO 3 Ca 0.03 -0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 61.04 1va6 n PRO 3 Cb 0.48 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1va6 n PRO 3 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1va6 s ASP 4 N -2.37 7.22 -0.06 2.55 2.15 -1.26 -4.90 116.67 120.00 1va6 s ASP 4 Ca 0.63 1.48 0.09 0.00 0.43 0.00 0.00 52.55 55.18 1va6 s ASP 4 Cb -0.22 -2.51 0.15 0.00 -0.30 0.00 0.00 42.92 40.03 1va6 s ASP 4 CO 0.62 -0.22 1.08 0.52 -0.17 0.00 0.00 175.17 176.99 1va6 n VAL 5 N 3.91 0.91 -0.26 1.11 0.31 -1.26 -4.79 118.33 118.26 1va6 n VAL 5 Ca 0.04 -1.12 -0.05 0.00 -0.01 0.00 0.00 64.34 63.20 1va6 n VAL 5 Cb 0.51 0.15 0.11 0.00 -0.91 0.00 0.00 33.84 33.70 1va6 n VAL 5 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1va6 h SER 6 N 0.03 1.02 0.80 4.52 4.64 -1.97 0.13 113.55 122.72 1va6 h SER 6 Ca -0.00 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 1va6 h SER 6 Cb 1.22 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1va6 h SER 6 CO 0.00 0.90 -0.38 1.56 -0.87 0.00 0.00 176.83 178.04 1va6 h GLN 7 N 1.09 -1.04 -0.18 4.77 4.20 -1.99 0.28 115.11 122.25 1va6 h GLN 7 Ca 0.25 0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1va6 h GLN 7 Cb 0.20 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1va6 h GLN 7 CO -0.02 -0.69 0.11 0.00 -0.67 0.00 0.00 178.83 177.56 1va6 h ALA 8 N -0.88 1.86 0.21 3.87 0.00 -1.83 -0.67 119.26 121.82 1va6 h ALA 8 Ca -0.11 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.46 1va6 h ALA 8 Cb 0.83 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.58 1va6 h ALA 8 CO 0.18 0.13 -1.40 -0.07 0.00 0.00 0.00 179.25 178.09 1va6 h LEU 9 N 0.25 0.83 -1.39 0.00 3.38 -0.49 -1.70 115.31 116.19 1va6 h LEU 9 Ca 0.07 -0.85 -0.02 0.00 0.09 0.00 0.00 57.88 57.16 1va6 h LEU 9 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1va6 h LEU 9 CO -0.01 1.66 0.14 0.00 0.09 0.00 0.00 178.44 180.31 1va6 h ALA 10 N 0.23 1.52 0.00 1.53 0.00 0.01 0.72 119.26 123.27 1va6 h ALA 10 Ca -0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1va6 h ALA 10 Cb 2.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1va6 h ALA 10 CO 0.26 0.37 -0.00 2.35 0.00 0.00 0.00 179.25 182.23 1va6 h TRP 11 N 0.55 -0.01 0.02 0.00 7.01 -1.02 -1.98 115.95 120.52 1va6 h TRP 11 Ca 0.13 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1va6 h TRP 11 Cb 0.14 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1va6 h TRP 11 CO 0.01 0.06 -0.01 1.25 -2.79 0.00 0.00 178.44 176.95 1va6 h LEU 12 N -0.07 -0.02 -2.07 0.65 5.85 -0.84 0.45 115.31 119.26 1va6 h LEU 12 Ca -0.00 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1va6 h LEU 12 Cb 0.07 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1va6 h LEU 12 CO 0.00 0.06 0.07 -0.33 -0.34 0.00 0.00 178.44 177.90 1va6 h GLU 13 N -0.10 0.00 0.00 1.25 5.08 -0.86 0.38 114.58 120.33 1va6 h GLU 13 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1va6 h GLU 13 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1va6 h GLU 13 CO 0.00 0.00 -0.42 -0.22 -1.00 0.00 0.00 179.01 177.37 1va6 h LYS 14 N 0.00 0.00 -2.20 2.33 3.64 -0.80 -3.37 116.57 116.16 1va6 h LYS 14 Ca 0.04 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.83 1va6 h LYS 14 Cb 0.18 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.59 1va6 h LYS 14 CO -0.00 0.00 -0.70 0.72 -2.27 0.00 0.00 179.45 177.20 1va6 n HIS 15 N -2.34 2.74 0.13 1.91 8.25 0.10 -4.97 115.22 121.05 1va6 n HIS 15 Ca 0.04 -4.03 -0.01 0.00 -0.26 0.00 0.00 57.72 53.45 1va6 n HIS 15 Cb 0.46 -0.51 0.15 0.00 1.12 0.00 0.00 29.99 31.22 1va6 n HIS 15 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1va6 h PRO 16 N 4.22 0.00 0.00 -0.41 0.13 -1.66 -2.96 132.00 131.33 1va6 h PRO 16 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1va6 h PRO 16 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1va6 h PRO 16 CO 0.75 0.63 0.00 1.04 -0.23 0.00 0.00 178.00 180.19 1va6 n GLN 17 N -3.70 0.41 0.25 0.86 1.13 -1.26 -2.74 117.38 112.33 1va6 n GLN 17 Ca -0.01 0.06 0.17 0.00 -1.94 0.00 0.00 57.00 55.28 1va6 n GLN 17 Cb 0.64 -1.50 0.80 0.00 0.11 0.00 0.00 30.24 30.30 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 3.15 1.00 -0.03 -1.58 0.00 -1.79 -2.76 119.26 117.25 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 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1va6 h ALA 18 CO 0.00 0.00 -0.02 1.28 0.00 0.00 0.00 179.25 180.51 1va6 n LEU 19 N -2.79 2.95 -4.70 0.00 4.77 -1.11 -3.22 117.00 112.90 1va6 n LEU 19 Ca -0.01 -0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 54.56 1va6 n LEU 19 Cb 0.17 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1va6 n LEU 19 CO 0.21 0.49 1.04 -0.75 -1.33 0.00 0.00 177.39 177.05 1va6 s LYS 20 N -2.01 4.33 0.00 3.23 2.20 -1.05 -3.62 119.74 122.83 1va6 s LYS 20 Ca 0.27 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 57.79 1va6 s LYS 20 Cb 0.20 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1va6 s LYS 20 CO 0.31 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 1va6 n GLY 21 N 3.49 1.50 3.76 5.54 0.00 -1.26 -4.67 105.19 113.55 1va6 n GLY 21 Ca 0.12 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1va6 n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1va6 s ILE 22 N -2.00 2.01 0.08 -0.61 1.01 -1.24 -4.17 121.20 116.28 1va6 s ILE 22 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.75 1va6 s ILE 22 Cb 0.00 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1va6 s ILE 22 CO 0.00 0.00 -0.24 -1.10 0.00 0.00 0.00 174.94 173.60 1va6 s GLN 23 N -2.58 1.72 0.13 2.79 -0.21 -0.77 -4.41 119.66 116.32 1va6 s GLN 23 Ca 0.64 -1.17 -0.04 0.00 0.02 0.00 0.00 55.36 54.81 1va6 s GLN 23 Cb -0.44 -2.01 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 1va6 s GLN 23 CO 0.55 0.49 0.12 1.03 -2.12 0.00 0.00 175.29 175.36 1va6 s ARG 24 N -1.66 0.95 -0.11 2.91 0.52 0.13 -1.59 118.95 120.09 1va6 s ARG 24 Ca 0.14 -1.31 -0.21 0.00 -0.52 0.00 0.00 55.73 53.82 1va6 s ARG 24 Cb -0.10 0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.70 1va6 s ARG 24 CO 0.05 -0.29 0.53 0.20 0.02 0.00 0.00 175.30 175.81 1va6 s GLY 25 N -3.00 -0.40 0.00 -3.53 0.00 0.06 -0.69 107.32 99.76 1va6 s GLY 25 Ca 0.19 1.18 0.07 0.00 0.00 0.00 0.00 44.72 46.16 1va6 s GLY 25 CO -0.01 0.93 -0.21 1.08 0.00 0.00 0.00 173.10 174.89 1va6 s LEU 26 N -0.53 2.41 -0.14 0.66 1.43 -1.26 -0.22 118.68 121.03 1va6 s LEU 26 Ca -0.06 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1va6 s LEU 26 Cb -0.03 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.75 1va6 s LEU 26 CO 0.04 0.30 -0.18 -1.61 0.23 0.00 0.00 176.35 175.13 1va6 s GLU 27 N -0.99 3.16 -0.07 1.70 2.02 -0.20 -1.81 118.70 122.51 1va6 s GLU 27 Ca 0.12 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1va6 s GLU 27 Cb -0.10 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.63 1va6 s GLU 27 CO 0.02 0.07 -0.06 0.50 0.02 0.00 0.00 175.26 175.80 1va6 s ARG 28 N 0.67 1.13 0.01 1.61 3.00 0.06 -0.42 118.95 125.00 1va6 s ARG 28 Ca -0.09 -0.16 -0.01 0.00 -1.00 0.00 0.00 55.73 54.48 1va6 s ARG 28 Cb -0.16 -1.17 -0.04 0.00 0.00 0.00 0.00 34.95 33.58 1va6 s ARG 28 CO 0.02 -0.16 0.13 -1.21 0.00 0.00 0.00 175.30 174.08 1va6 s GLU 29 N 1.31 3.21 -0.27 5.12 2.02 -0.95 -0.30 118.70 128.84 1va6 s GLU 29 Ca -0.04 -0.45 -0.25 0.00 0.02 0.00 0.00 54.97 54.25 1va6 s GLU 29 Cb -0.14 -2.94 0.08 0.00 0.10 0.00 0.00 34.13 31.23 1va6 s GLU 29 CO -0.03 0.64 0.81 -0.08 0.02 0.00 0.00 175.26 176.62 1va6 s THR 30 N -1.30 0.00 0.10 3.63 -1.32 -0.60 -4.44 115.64 111.71 1va6 s THR 30 Ca 0.27 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.48 1va6 s THR 30 Cb -0.12 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.80 1va6 s THR 30 CO 0.18 0.00 0.84 -0.76 -2.21 0.00 0.00 174.62 172.67 1va6 s LEU 31 N 0.32 4.50 -0.16 9.08 1.43 -1.26 -0.42 118.68 132.17 1va6 s LEU 31 Ca 0.01 1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 54.43 1va6 s LEU 31 Cb -0.05 -3.37 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1va6 s LEU 31 CO -0.01 0.03 1.10 -0.13 0.23 0.00 0.00 176.35 177.58 1va6 s ARG 32 N -0.30 4.31 0.11 1.70 0.52 0.10 -1.16 118.95 124.23 1va6 s ARG 32 Ca 0.41 1.48 0.06 0.00 -0.52 0.00 0.00 55.73 57.16 1va6 s ARG 32 Cb -0.22 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.58 1va6 s ARG 32 CO 0.26 -0.54 -0.16 0.14 0.02 0.00 0.00 175.30 175.03 1va6 s VAL 33 N 2.80 1.42 0.68 3.52 -7.23 0.60 -1.38 120.40 120.81 1va6 s VAL 33 Ca 0.49 -1.63 -0.12 0.00 -1.81 0.00 0.00 61.98 58.91 1va6 s VAL 33 Cb -0.19 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1va6 s VAL 33 CO 0.13 -0.30 1.06 0.20 -0.31 0.00 0.00 175.10 175.89 1va6 s ASN 34 N -2.24 5.37 0.59 4.85 0.01 -0.09 -1.06 114.94 122.37 1va6 s ASN 34 Ca 0.07 1.71 0.33 0.00 -0.71 0.00 0.00 52.86 54.26 1va6 s ASN 34 Cb -0.07 -2.51 1.27 0.00 0.41 0.00 0.00 41.25 40.35 1va6 s ASN 34 CO 0.04 -1.45 1.53 0.00 -1.51 0.00 0.00 177.10 175.71 1va6 h ALA 35 N -0.43 2.99 -0.30 0.60 0.00 -1.90 0.33 119.26 120.56 1va6 h ALA 35 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1va6 h ALA 35 Cb 1.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1va6 h ALA 35 CO 0.56 -1.64 0.00 -0.40 0.00 0.00 0.00 179.25 177.78 1va6 n ASP 36 N -3.57 3.00 0.00 0.00 5.68 -1.26 -4.95 116.55 115.45 1va6 n ASP 36 Ca 0.24 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 1va6 n ASP 36 Cb 1.41 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 41.20 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 1.41 1.17 3.77 6.12 0.00 0.12 -5.02 105.19 112.75 1va6 n GLY 37 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.64 2.91 0.12 2.61 -4.23 -1.26 -4.57 115.64 108.58 1va6 s THR 38 Ca 0.00 0.77 -0.32 0.00 -1.18 0.00 0.00 61.69 60.96 1va6 s THR 38 Cb 0.00 -3.43 -0.12 0.00 1.34 0.00 0.00 72.50 70.29 1va6 s THR 38 CO 0.00 0.07 1.78 -0.11 -0.54 0.00 0.00 174.62 175.82 1va6 n LEU 39 N -0.01 3.81 -4.77 4.79 7.94 -1.26 -0.91 117.00 126.58 1va6 n LEU 39 Ca 0.05 1.02 -0.40 0.00 -1.11 0.00 0.00 56.01 55.56 1va6 n LEU 39 Cb 0.45 -1.51 -0.02 0.00 0.53 0.00 0.00 43.42 42.88 1va6 n LEU 39 CO 0.52 0.07 0.93 0.00 -1.11 0.00 0.00 177.39 177.80 1va6 s ALA 40 N 2.27 3.34 -1.44 1.96 0.00 -0.48 -4.80 121.76 122.62 1va6 s ALA 40 Ca 0.81 1.16 0.12 0.00 0.00 0.00 0.00 51.96 54.05 1va6 s ALA 40 Cb -0.54 -3.45 0.16 0.00 0.00 0.00 0.00 23.12 19.29 1va6 s ALA 40 CO 0.38 -0.63 1.00 0.25 0.00 0.00 0.00 175.76 176.76 1va6 n THR 41 N 0.47 0.26 -1.00 0.00 -2.24 -1.26 -4.75 114.28 105.75 1va6 n THR 41 Ca 0.02 -0.63 -0.30 0.00 -2.27 0.00 0.00 64.05 60.87 1va6 n THR 41 Cb 0.44 1.07 0.16 0.00 -2.10 0.00 0.00 70.33 69.89 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 -1.04 2.49 0.55 4.28 -4.23 -1.26 -5.05 115.64 111.39 1va6 s THR 42 Ca 0.18 0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.73 1va6 s THR 42 Cb 0.11 -2.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 1va6 s THR 42 CO 0.16 -0.21 0.96 -0.83 -0.54 0.00 0.00 174.62 174.17 1va6 s GLY 43 N -3.13 1.80 -0.49 3.99 0.00 -1.26 -4.77 107.32 103.46 1va6 s GLY 43 Ca 0.65 -0.06 -0.45 0.00 0.00 0.00 0.00 44.72 44.85 1va6 s GLY 43 CO 0.58 0.19 1.67 1.57 0.00 0.00 0.00 173.10 177.12 1va6 n HIS 44 N -2.19 1.60 -1.55 1.90 -0.00 -1.26 -4.70 115.22 109.02 1va6 n HIS 44 Ca 0.05 1.05 -0.45 0.00 0.46 0.00 0.00 57.72 58.83 1va6 n HIS 44 Cb 0.54 -2.19 -0.02 0.00 -0.12 0.00 0.00 29.99 28.20 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 4.61 1.07 -0.00 1.57 -0.02 -1.26 -4.85 135.00 136.11 1va6 n PRO 45 Ca 0.35 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 62.20 1va6 n PRO 45 Cb -0.05 -1.67 0.28 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.78 0.53 0.00 -0.52 4.39 -1.85 -1.38 114.58 117.53 1va6 h GLU 46 Ca -0.37 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1va6 h GLU 46 Cb 1.36 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1va6 h GLU 46 CO 0.60 0.58 0.00 0.00 -1.16 0.00 0.00 179.01 179.02 1va6 n ALA 47 N -2.48 1.23 0.94 3.43 0.00 -1.26 -1.77 120.51 120.61 1va6 n ALA 47 Ca 0.01 0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.66 1va6 n ALA 47 Cb 0.26 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1va6 n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1va6 n LEU 48 N -2.00 1.69 0.00 0.00 4.77 -0.52 -4.71 117.00 116.23 1va6 n LEU 48 Ca 0.00 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1va6 n LEU 48 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1va6 n LEU 48 CO 0.10 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1va6 n GLY 49 N 1.40 2.05 3.54 -0.72 0.00 -0.73 -4.54 105.19 106.19 1va6 n GLY 49 Ca 0.07 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 6.34 0.55 1.61 0.15 -1.26 -4.91 113.70 112.18 1va6 s SER 50 Ca 0.00 -0.17 0.21 0.00 0.70 0.00 0.00 55.95 56.70 1va6 s SER 50 Cb 0.00 -2.30 1.48 0.00 -1.71 0.00 0.00 66.02 63.49 1va6 s SER 50 CO 0.00 -0.65 2.19 0.00 1.20 0.00 0.00 173.24 175.98 1va6 h ALA 51 N 8.66 1.83 -0.30 5.45 0.00 -1.85 -1.50 119.26 131.55 1va6 h ALA 51 Ca -0.26 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1va6 h ALA 51 Cb 1.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1va6 h ALA 51 CO 0.84 -0.01 -0.14 1.25 0.00 0.00 0.00 179.25 181.19 1va6 h LEU 52 N 0.00 0.51 0.00 0.00 5.85 -1.90 -3.38 115.31 116.39 1va6 h LEU 52 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1va6 h LEU 52 Cb 0.01 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1va6 h LEU 52 CO -0.00 0.68 -0.80 0.35 -0.34 0.00 0.00 178.44 178.33 1va6 n THR 53 N -4.18 0.00 -1.40 1.05 -2.24 -1.11 -5.08 114.28 101.31 1va6 n THR 53 Ca 0.00 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1va6 n THR 53 Cb 0.34 0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.28 -1.03 0.16 4.78 -0.00 -0.58 -4.93 115.22 112.32 1va6 n HIS 54 Ca 0.00 0.65 0.12 0.00 -0.00 0.00 0.00 57.72 58.48 1va6 n HIS 54 Cb 0.00 -1.92 0.01 0.00 -0.00 0.00 0.00 29.99 28.09 1va6 n HIS 54 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1va6 n LYS 55 N 0.90 0.57 0.00 1.57 5.02 -1.26 -4.60 118.16 120.36 1va6 n LYS 55 Ca 0.12 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1va6 n LYS 55 Cb 0.38 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1va6 n LYS 55 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1va6 n TRP 56 N -2.60 0.00 -4.88 2.13 8.01 -1.26 -4.85 117.44 113.99 1va6 n TRP 56 Ca 0.00 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.92 1va6 n TRP 56 Cb 0.54 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.67 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 -1.69 1.53 0.00 -0.99 1.01 -1.26 -0.36 121.20 119.44 1va6 s ILE 57 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1va6 s ILE 57 Cb 0.00 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1va6 s ILE 57 CO 0.00 0.44 0.00 1.07 0.00 0.00 0.00 174.94 176.45 1va6 n THR 58 N 3.41 0.00 -4.43 2.92 5.66 -0.26 -4.60 114.28 116.98 1va6 n THR 58 Ca -0.20 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.56 1va6 n THR 58 Cb 0.53 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.21 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 -2.45 2.67 0.00 1.09 -4.23 -1.26 -0.49 115.64 110.98 1va6 s THR 59 Ca 0.00 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.23 1va6 s THR 59 Cb 0.00 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1va6 s THR 59 CO 0.00 -0.37 0.00 -0.67 -0.54 0.00 0.00 174.62 173.04 1va6 n ASP 60 N -0.70 0.00 0.32 3.99 2.03 -0.07 -4.77 116.55 117.35 1va6 n ASP 60 Ca -0.05 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.09 1va6 n ASP 60 Cb 0.60 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.73 -2.93 -0.67 3.57 -1.82 -3.42 116.94 110.93 1va6 h PHE 61 Ca 0.00 -0.02 -0.48 0.00 3.53 0.00 0.00 57.97 61.01 1va6 h PHE 61 Cb 0.00 0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.00 1va6 h PHE 61 CO 0.00 -0.44 -0.14 0.00 -2.23 0.00 0.00 178.31 175.50 1va6 s ALA 62 N -5.94 3.65 0.21 2.41 0.00 -1.26 -1.63 121.76 119.20 1va6 s ALA 62 Ca -0.17 -0.84 0.19 0.00 0.00 0.00 0.00 51.96 51.15 1va6 s ALA 62 Cb 0.03 -2.19 0.77 0.00 0.00 0.00 0.00 23.12 21.74 1va6 s ALA 62 CO 0.61 -0.07 1.78 1.49 0.00 0.00 0.00 175.76 179.57 1va6 h GLU 63 N 0.67 0.00 -0.02 0.00 4.57 -1.49 -2.26 114.58 116.05 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 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1va6 h GLU 63 CO 0.61 0.34 -0.05 0.00 -1.18 0.00 0.00 179.01 178.74 1va6 n ALA 64 N -2.31 2.66 -3.21 2.92 0.00 -1.26 -4.24 120.51 115.07 1va6 n ALA 64 Ca -0.01 -0.46 -0.46 0.00 0.00 0.00 0.00 53.44 52.52 1va6 n ALA 64 Cb 0.47 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.08 6.15 0.69 0.00 2.96 -0.85 0.01 118.68 125.55 1va6 s LEU 65 Ca 0.35 -2.75 -0.17 0.00 -0.22 0.00 0.00 54.13 51.34 1va6 s LEU 65 Cb 0.21 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.63 1va6 s LEU 65 CO 0.36 -0.64 1.15 0.18 -1.32 0.00 0.00 176.35 176.08 1va6 n LEU 66 N 4.45 4.82 -3.72 -0.68 4.77 0.44 -0.89 117.00 126.18 1va6 n LEU 66 Ca 0.20 0.74 -0.16 0.00 -0.03 0.00 0.00 56.01 56.76 1va6 n LEU 66 Cb 0.46 -1.49 -0.16 0.00 -2.33 0.00 0.00 43.42 39.90 1va6 n LEU 66 CO 0.42 -1.50 -0.29 -0.70 -1.33 0.00 0.00 177.39 173.99 1va6 s GLU 67 N -3.42 0.00 -0.19 3.23 2.12 0.36 -1.55 118.70 119.25 1va6 s GLU 67 Ca 0.78 0.36 -0.09 0.00 0.36 0.00 0.00 54.97 56.38 1va6 s GLU 67 Cb -0.36 -0.29 -0.05 0.00 0.26 0.00 0.00 34.13 33.69 1va6 s GLU 67 CO 0.45 -0.23 0.11 -0.06 -0.54 0.00 0.00 175.26 174.99 1va6 s PHE 68 N 1.60 3.35 -0.14 5.30 0.08 0.59 -1.10 117.98 127.67 1va6 s PHE 68 Ca -0.03 0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.25 1va6 s PHE 68 Cb -0.12 -2.13 0.03 0.00 -0.57 0.00 0.00 43.02 40.23 1va6 s PHE 68 CO -0.04 0.24 -0.05 0.42 -0.10 0.00 0.00 175.22 175.69 1va6 s ILE 69 N 0.38 0.93 0.21 0.64 1.01 0.51 -0.76 121.20 124.12 1va6 s ILE 69 Ca 0.06 -0.39 -0.27 0.00 0.00 0.00 0.00 60.65 60.05 1va6 s ILE 69 Cb -0.12 -1.07 -0.09 0.00 0.01 0.00 0.00 42.46 41.20 1va6 s ILE 69 CO -0.01 0.21 0.86 0.42 0.00 0.00 0.00 174.94 176.42 1va6 s THR 70 N 1.73 4.22 0.42 2.92 -4.23 -0.75 -4.46 115.64 115.49 1va6 s THR 70 Ca 0.03 1.88 -0.25 0.00 -1.18 0.00 0.00 61.69 62.17 1va6 s THR 70 Cb -0.14 -4.21 -0.08 0.00 1.34 0.00 0.00 72.50 69.40 1va6 s THR 70 CO -0.08 0.48 1.24 -2.84 -0.54 0.00 0.00 174.62 172.89 1va6 s PRO 71 N -1.24 3.92 0.27 3.99 0.02 -1.26 -4.29 135.00 136.40 1va6 s PRO 71 Ca 0.39 2.00 -0.28 0.00 0.02 0.00 0.00 61.00 63.13 1va6 s PRO 71 Cb -0.24 -2.66 -0.15 0.00 0.02 0.00 0.00 34.50 31.48 1va6 s PRO 71 CO 0.29 -0.48 0.93 1.55 -0.33 0.00 0.00 177.00 178.95 1va6 n VAL 72 N -0.04 1.93 -3.65 3.83 3.14 -1.26 -4.87 118.33 117.42 1va6 n VAL 72 Ca 0.05 -0.48 -0.14 0.00 -2.96 0.00 0.00 64.34 60.80 1va6 n VAL 72 Cb 0.45 -0.81 -0.07 0.00 -1.06 0.00 0.00 33.84 32.36 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 -0.61 -0.36 0.00 6.55 -1.08 0.13 -4.95 116.67 116.36 1va6 s ASP 73 Ca 0.60 0.18 0.13 0.00 -0.52 0.00 0.00 52.55 52.94 1va6 s ASP 73 Cb -0.75 0.43 0.18 0.00 -1.46 0.00 0.00 42.92 41.32 1va6 s ASP 73 CO 0.59 -0.61 1.03 0.61 0.52 0.00 0.00 175.17 177.31 1va6 n GLY 74 N 0.75 0.72 2.95 2.66 0.00 -1.26 0.19 105.19 111.19 1va6 n GLY 74 Ca -0.19 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.07 2.70 0.08 1.61 -1.08 -1.26 -4.86 116.67 112.79 1va6 s ASP 75 Ca 0.19 -0.55 -0.23 0.00 -0.52 0.00 0.00 52.55 51.44 1va6 s ASP 75 Cb 0.12 -1.03 -0.16 0.00 -1.46 0.00 0.00 42.92 40.39 1va6 s ASP 75 CO 0.17 -0.12 1.68 0.40 0.52 0.00 0.00 175.17 177.83 1va6 h ILE 76 N 6.22 1.04 -0.48 4.11 2.04 -1.98 -1.76 117.51 126.70 1va6 h ILE 76 Ca -0.31 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1va6 h ILE 76 Cb 1.12 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1va6 h ILE 76 CO 0.46 0.03 0.30 -0.33 0.00 0.00 0.00 178.15 178.61 1va6 h GLU 77 N -0.06 0.59 -0.60 2.37 3.07 -1.99 -1.27 114.58 116.70 1va6 h GLU 77 Ca -0.00 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1va6 h GLU 77 Cb 0.06 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1va6 h GLU 77 CO 0.00 0.39 0.11 1.25 -1.40 0.00 0.00 179.01 179.36 1va6 h HIS 78 N 0.61 1.04 -0.41 4.33 2.76 -1.96 -0.88 115.15 120.64 1va6 h HIS 78 Ca 0.18 -0.14 -0.08 0.00 -2.20 0.00 0.00 60.37 58.14 1va6 h HIS 78 Cb -0.03 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.63 1va6 h HIS 78 CO -0.05 0.90 -0.04 1.98 -1.30 0.00 0.00 177.93 179.41 1va6 h MET 79 N 0.89 0.75 -0.29 5.26 1.85 -1.10 -0.32 114.93 121.98 1va6 h MET 79 Ca 0.18 -0.26 -0.13 0.00 -0.61 0.00 0.00 59.70 58.89 1va6 h MET 79 Cb 0.41 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 1va6 h MET 79 CO 0.01 0.86 -0.34 -0.07 -0.40 0.00 0.00 176.91 176.97 1va6 h LEU 80 N 0.58 0.65 -0.64 3.39 3.38 -1.17 -1.40 115.31 120.10 1va6 h LEU 80 Ca 0.11 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1va6 h LEU 80 Cb 0.54 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1va6 h LEU 80 CO 0.03 0.94 0.24 0.74 0.09 0.00 0.00 178.44 180.48 1va6 h THR 81 N 0.53 1.24 -0.32 0.22 2.02 -1.04 -1.50 112.91 114.06 1va6 h THR 81 Ca 0.06 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.48 1va6 h THR 81 Cb 0.84 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1va6 h THR 81 CO 0.07 0.30 0.20 0.15 0.37 0.00 0.00 175.52 176.61 1va6 h PHE 82 N 0.91 0.38 -0.77 3.16 3.04 -0.80 -0.55 116.94 122.31 1va6 h PHE 82 Ca 0.21 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.21 1va6 h PHE 82 Cb 0.23 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.56 1va6 h PHE 82 CO 0.01 0.23 0.48 1.98 -2.02 0.00 0.00 178.31 178.99 1va6 h MET 83 N 0.41 0.89 -0.33 1.11 4.05 -1.05 -2.17 114.93 117.85 1va6 h MET 83 Ca 0.12 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 1va6 h MET 83 Cb -0.02 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.56 1va6 h MET 83 CO -0.04 0.59 -0.17 -0.09 0.23 0.00 0.00 176.91 177.43 1va6 h ARG 84 N 0.92 0.59 -0.72 0.39 2.43 -0.85 -1.90 114.38 115.24 1va6 h ARG 84 Ca 0.31 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1va6 h ARG 84 Cb 0.05 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1va6 h ARG 84 CO -0.13 0.74 0.47 -0.44 -1.51 0.00 0.00 179.97 179.10 1va6 h ASP 85 N 0.54 0.84 -0.55 -3.80 5.19 -0.60 0.37 116.42 118.40 1va6 h ASP 85 Ca 0.09 -0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1va6 h ASP 85 Cb 0.60 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 1va6 h ASP 85 CO 0.04 0.61 0.34 -0.07 -3.12 0.00 0.00 179.24 177.04 1va6 h LEU 86 N 0.98 0.56 0.03 1.55 3.38 -0.94 -1.23 115.31 119.64 1va6 h LEU 86 Ca 0.26 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1va6 h LEU 86 Cb -0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1va6 h LEU 86 CO -0.06 0.40 -0.02 0.45 0.09 0.00 0.00 178.44 179.30 1va6 h HIS 87 N 0.68 -0.04 -0.12 1.13 3.86 -0.74 -1.89 115.15 118.02 1va6 h HIS 87 Ca 0.22 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.47 1va6 h HIS 87 Cb -0.00 0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.42 1va6 h HIS 87 CO -0.06 0.06 -0.35 0.00 0.86 0.00 0.00 177.93 178.44 1va6 h ARG 88 N -0.14 -0.42 -0.58 2.45 3.08 0.07 -0.87 114.38 117.97 1va6 h ARG 88 Ca -0.00 0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1va6 h ARG 88 Cb 0.12 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1va6 h ARG 88 CO 0.01 -0.28 0.10 -0.92 -1.07 0.00 0.00 179.97 177.81 1va6 h TYR 89 N -0.43 0.98 -0.22 3.04 3.20 -1.21 -2.55 116.97 119.77 1va6 h TYR 89 Ca 0.09 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 1va6 h TYR 89 Cb 0.57 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1va6 h TYR 89 CO -0.42 0.83 -0.23 1.15 -1.64 0.00 0.00 178.16 177.85 1va6 h THR 90 N 0.88 1.25 0.00 1.81 2.02 -0.89 -2.83 112.91 115.15 1va6 h THR 90 Ca 0.18 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 1va6 h THR 90 Cb 0.38 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1va6 h THR 90 CO 0.01 0.37 -0.29 0.00 0.37 0.00 0.00 175.52 175.97 1va6 h ALA 91 N 1.40 0.86 0.00 6.16 0.00 -0.78 -2.84 119.26 124.07 1va6 h ALA 91 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1va6 h ALA 91 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1va6 h ALA 91 CO 0.04 0.37 -0.44 0.54 0.00 0.00 0.00 179.25 179.76 1va6 n ARG 92 N -3.24 0.12 -2.53 0.00 3.00 -1.03 -4.38 116.66 108.59 1va6 n ARG 92 Ca 0.02 0.04 -0.09 0.00 -0.01 0.00 0.00 57.85 57.81 1va6 n ARG 92 Cb 0.58 -1.58 0.04 0.00 0.00 0.00 0.00 32.46 31.50 1va6 n ARG 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1va6 n ASN 93 N -1.76 2.84 -0.40 0.55 3.02 -1.08 -4.71 115.26 113.73 1va6 n ASN 93 Ca 0.05 -2.68 0.02 0.00 -0.03 0.00 0.00 54.58 51.93 1va6 n ASN 93 Cb 0.38 -0.43 0.03 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.63 0.27 0.00 3.52 0.00 -1.20 -4.62 117.12 114.46 1va6 n MET 94 Ca 0.21 -1.29 0.00 0.00 0.00 0.00 0.00 57.70 56.62 1va6 n MET 94 Cb 0.86 -0.70 0.00 0.00 0.00 0.00 0.00 33.22 33.39 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 -0.28 1.00 0.80 3.17 0.00 -1.26 -2.54 105.19 106.08 1va6 n GLY 95 Ca 0.03 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 5.79 2.43 -4.77 1.61 2.03 -1.26 -4.93 116.55 117.45 1va6 n ASP 96 Ca 0.00 -1.83 -0.30 0.00 0.52 0.00 0.00 54.79 53.18 1va6 n ASP 96 Cb 0.00 -0.14 0.10 0.00 -0.72 0.00 0.00 41.12 40.36 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 -1.72 1.86 0.30 -0.67 2.02 -1.05 -4.45 118.70 114.99 1va6 s GLU 97 Ca 0.35 0.78 -0.06 0.00 0.02 0.00 0.00 54.97 56.05 1va6 s GLU 97 Cb 0.20 -1.88 -0.00 0.00 0.10 0.00 0.00 34.13 32.54 1va6 s GLU 97 CO 0.29 -1.81 0.45 -0.98 0.02 0.00 0.00 175.26 173.22 1va6 s ARG 98 N -5.04 1.73 -0.14 1.61 3.03 -0.22 -4.89 118.95 115.02 1va6 s ARG 98 Ca 0.62 -1.57 -0.04 0.00 2.03 0.00 0.00 55.73 56.76 1va6 s ARG 98 Cb -0.16 0.44 -0.03 0.00 -1.03 0.00 0.00 34.95 34.17 1va6 s ARG 98 CO 0.55 -0.71 -0.00 -1.64 -1.13 0.00 0.00 175.30 172.37 1va6 s MET 99 N -3.46 3.49 0.02 3.89 -1.94 -1.26 -0.29 119.30 119.75 1va6 s MET 99 Ca 0.28 -0.44 -0.30 0.00 -1.71 0.00 0.00 55.69 53.52 1va6 s MET 99 Cb 0.00 -2.93 -0.07 0.00 2.01 0.00 0.00 34.83 33.84 1va6 s MET 99 CO 0.16 0.41 1.54 -0.46 -0.01 0.00 0.00 175.02 176.66 1va6 s TRP 100 N -0.09 2.58 -1.79 -0.03 -0.00 -0.30 -4.57 118.94 114.74 1va6 s TRP 100 Ca 0.04 0.54 0.30 0.00 -0.00 0.00 0.00 56.10 56.98 1va6 s TRP 100 Cb -0.13 -3.82 1.49 0.00 -0.00 0.00 0.00 33.47 31.01 1va6 s TRP 100 CO 0.02 -3.20 2.01 -0.35 -0.00 0.00 0.00 176.95 175.42 1va6 n PRO 101 N 5.65 0.82 -4.55 5.86 -0.04 -1.26 -4.48 135.00 137.00 1va6 n PRO 101 Ca 0.15 -0.18 -0.26 0.00 -0.04 0.00 0.00 63.50 63.17 1va6 n PRO 101 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.31 2.72 -0.03 1.53 1.43 -1.26 -4.09 118.68 116.67 1va6 s LEU 102 Ca 0.35 -1.24 -0.26 0.00 -1.03 0.00 0.00 54.13 51.96 1va6 s LEU 102 Cb 0.21 -0.92 -0.21 0.00 0.03 0.00 0.00 46.19 45.30 1va6 s LEU 102 CO 0.43 -0.28 1.21 0.28 0.23 0.00 0.00 176.35 178.21 1va6 h SER 103 N 2.00 0.05 -3.40 2.29 0.02 -1.82 -3.43 113.55 109.26 1va6 h SER 103 Ca -0.42 -0.56 -0.59 0.00 -0.84 0.00 0.00 61.79 59.38 1va6 h SER 103 Cb 1.25 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.69 1va6 h SER 103 CO 0.72 0.60 0.11 -0.04 -1.14 0.00 0.00 176.83 177.08 1va6 s MET 104 N -3.97 4.26 0.35 3.45 -1.94 -1.26 -0.56 119.30 119.62 1va6 s MET 104 Ca -0.16 0.66 -0.27 0.00 -1.71 0.00 0.00 55.69 54.20 1va6 s MET 104 Cb 0.01 -3.55 -0.09 0.00 2.01 0.00 0.00 34.83 33.21 1va6 s MET 104 CO 0.69 -0.17 1.16 -1.25 -0.01 0.00 0.00 175.02 175.44 1va6 s PRO 105 N 1.67 4.32 -0.17 2.03 0.04 -1.26 -4.98 135.00 136.65 1va6 s PRO 105 Ca 0.30 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 1va6 s PRO 105 Cb -0.16 -2.92 -0.23 0.00 0.04 0.00 0.00 34.50 31.24 1va6 s PRO 105 CO 0.11 -0.10 0.14 0.43 0.04 0.00 0.00 177.00 177.62 1va6 n SER 106 N 0.58 2.04 -2.84 6.66 7.64 -1.26 -4.62 113.62 121.82 1va6 n SER 106 Ca 0.02 0.08 -0.31 0.00 1.01 0.00 0.00 58.87 59.66 1va6 n SER 106 Cb 0.45 -0.66 -0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 -3.39 3.42 -3.71 1.43 4.01 -1.26 -4.78 117.16 112.89 1va6 n TYR 107 Ca -0.37 -3.13 -0.22 0.00 -0.16 0.00 0.00 57.90 54.02 1va6 n TYR 107 Cb 1.03 -0.55 -0.18 0.00 -0.31 0.00 0.00 39.34 39.33 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 -5.01 0.11 0.56 -0.72 1.01 -1.26 -4.45 121.20 111.44 1va6 s ILE 108 Ca 0.48 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 61.18 1va6 s ILE 108 Cb 0.35 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 42.39 1va6 s ILE 108 CO -0.21 0.15 1.03 0.00 0.00 0.00 0.00 174.94 175.91 1va6 s ALA 109 N 2.08 2.86 0.35 9.38 0.00 -1.26 -4.79 121.76 130.37 1va6 s ALA 109 Ca 0.04 0.32 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 1va6 s ALA 109 Cb -0.13 -3.19 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1va6 s ALA 109 CO -0.05 -0.60 1.43 -2.00 0.00 0.00 0.00 175.76 174.54 1va6 s GLU 110 N -4.06 4.19 0.00 0.00 2.56 -1.26 -1.80 118.70 118.33 1va6 s GLU 110 Ca 0.62 2.45 0.00 0.00 0.00 0.00 0.00 54.97 58.04 1va6 s GLU 110 Cb -0.14 -3.01 0.00 0.00 2.00 0.00 0.00 34.13 32.98 1va6 s GLU 110 CO 0.35 -0.43 0.00 0.41 -0.56 0.00 0.00 175.26 175.03 1va6 n GLY 111 N 0.73 0.11 3.71 -1.50 0.00 -1.26 -4.98 105.19 102.00 1va6 n GLY 111 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 0.09 1.17 -2.69 1.61 7.27 -0.74 -4.87 117.38 119.21 1va6 n GLN 112 Ca 0.00 0.45 -0.42 0.00 0.07 0.00 0.00 57.00 57.10 1va6 n GLN 112 Cb 0.39 -2.47 -0.03 0.00 2.41 0.00 0.00 30.24 30.54 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 -1.28 6.49 -0.27 1.69 -1.08 -1.26 -4.85 116.67 116.11 1va6 s ASP 113 Ca 0.80 -1.51 -0.10 0.00 -0.52 0.00 0.00 52.55 51.22 1va6 s ASP 113 Cb -0.39 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.52 1va6 s ASP 113 CO 0.43 -1.40 0.15 -0.63 0.52 0.00 0.00 175.17 174.24 1va6 s ILE 114 N 4.29 4.94 0.19 4.11 1.01 -1.26 -5.04 121.20 129.43 1va6 s ILE 114 Ca 0.40 0.04 -0.32 0.00 0.00 0.00 0.00 60.65 60.77 1va6 s ILE 114 Cb -0.03 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 38.99 1va6 s ILE 114 CO -0.06 0.28 1.71 -0.70 0.00 0.00 0.00 174.94 176.17 1va6 s GLU 115 N 1.71 4.14 0.78 2.79 2.12 -1.26 -4.98 118.70 124.00 1va6 s GLU 115 Ca 0.07 2.56 -0.11 0.00 0.36 0.00 0.00 54.97 57.85 1va6 s GLU 115 Cb -0.16 -3.17 0.06 0.00 0.26 0.00 0.00 34.13 31.12 1va6 s GLU 115 CO 0.08 -0.74 1.09 -0.51 -0.54 0.00 0.00 175.26 174.64 1va6 s LEU 116 N 1.43 2.69 0.09 2.70 1.43 -1.26 -2.06 118.68 123.70 1va6 s LEU 116 Ca 0.75 1.33 -0.31 0.00 -1.03 0.00 0.00 54.13 54.87 1va6 s LEU 116 Cb -0.48 -3.99 -0.07 0.00 0.03 0.00 0.00 46.19 41.68 1va6 s LEU 116 CO 0.32 -1.85 1.39 0.00 0.23 0.00 0.00 176.35 176.45 1va6 s ALA 117 N -3.16 3.59 -0.21 4.21 0.00 -0.64 -3.71 121.76 121.84 1va6 s ALA 117 Ca 0.60 1.08 -0.09 0.00 0.00 0.00 0.00 51.96 53.55 1va6 s ALA 117 Cb -0.14 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1va6 s ALA 117 CO 0.54 -0.67 0.11 -0.65 0.00 0.00 0.00 175.76 175.10 1va6 s GLN 118 N 1.35 4.07 -0.08 0.00 -1.52 -1.26 -4.56 119.66 117.66 1va6 s GLN 118 Ca 0.65 -0.28 0.12 0.00 -1.95 0.00 0.00 55.36 53.89 1va6 s GLN 118 Cb -0.36 -3.38 0.18 0.00 -0.22 0.00 0.00 33.01 29.23 1va6 s GLN 118 CO 0.30 0.21 1.07 0.66 -0.25 0.00 0.00 175.29 177.28 1va6 n TYR 119 N 3.77 0.00 -1.39 0.91 4.01 -1.26 -4.84 117.16 118.35 1va6 n TYR 119 Ca -0.16 -0.69 0.00 0.00 -0.16 0.00 0.00 57.90 56.89 1va6 n TYR 119 Cb 0.52 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 -0.96 -1.82 0.10 2.72 0.00 -1.26 -4.54 105.19 99.43 1va6 n GLY 120 Ca 0.10 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.40 1va6 n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1va6 n THR 121 N 0.00 0.53 -0.71 2.61 -1.04 -1.26 -4.17 114.28 110.24 1va6 n THR 121 Ca 0.00 -0.47 -0.31 0.00 -2.04 0.00 0.00 64.05 61.23 1va6 n THR 121 Cb 0.00 -0.25 0.17 0.00 -1.82 0.00 0.00 70.33 68.43 1va6 n THR 121 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1va6 s SER 122 N -5.02 2.81 0.13 8.00 1.04 -1.26 -4.70 113.70 114.70 1va6 s SER 122 Ca 0.01 2.11 -0.15 0.00 0.48 0.00 0.00 55.95 58.40 1va6 s SER 122 Cb 0.11 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.68 1va6 s SER 122 CO 0.78 -3.16 1.61 0.78 0.98 0.00 0.00 173.24 174.22 1va6 h ASN 123 N -1.91 0.67 -0.66 7.02 2.35 -1.93 0.20 115.58 121.31 1va6 h ASN 123 Ca -0.45 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 54.97 1va6 h ASN 123 Cb 1.27 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 1va6 h ASN 123 CO 0.43 0.76 0.15 0.74 -1.65 0.00 0.00 177.43 177.86 1va6 h THR 124 N 0.54 1.26 -0.36 2.81 2.02 -1.95 -0.43 112.91 116.80 1va6 h THR 124 Ca 0.13 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 1va6 h THR 124 Cb 0.38 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1va6 h THR 124 CO 0.01 0.36 0.05 1.23 0.37 0.00 0.00 175.52 177.54 1va6 h GLY 125 N 0.98 0.65 2.00 2.16 0.00 -1.68 -2.24 103.07 104.94 1va6 h GLY 125 Ca 0.21 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 1va6 h GLY 125 CO 0.00 0.40 -0.44 3.21 0.00 0.00 0.00 176.54 179.72 1va6 h ARG 126 N 0.43 0.00 -0.37 4.80 3.08 -0.52 -2.90 114.38 118.90 1va6 h ARG 126 Ca 0.11 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1va6 h ARG 126 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1va6 h ARG 126 CO 0.01 0.44 -0.12 0.35 -1.07 0.00 0.00 179.97 179.58 1va6 h PHE 127 N 0.00 0.83 -0.64 3.04 3.57 -0.76 -1.23 116.94 121.75 1va6 h PHE 127 Ca -0.00 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.26 1va6 h PHE 127 Cb 0.86 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1va6 h PHE 127 CO 0.00 0.90 0.24 0.87 -2.23 0.00 0.00 178.31 178.08 1va6 h LYS 128 N 0.53 0.97 -0.51 1.11 1.57 -1.31 -1.26 116.57 117.66 1va6 h LYS 128 Ca 0.09 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1va6 h LYS 128 Cb 0.65 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1va6 h LYS 128 CO 0.04 0.83 -0.08 1.15 -0.57 0.00 0.00 179.45 180.82 1va6 h THR 129 N 0.90 1.27 -0.76 -0.16 2.02 -1.40 -2.60 112.91 112.18 1va6 h THR 129 Ca 0.21 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 66.22 1va6 h THR 129 Cb 0.23 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1va6 h THR 129 CO -0.01 0.42 0.50 0.25 0.37 0.00 0.00 175.52 177.05 1va6 h LEU 130 N 0.82 0.77 -0.65 2.58 5.85 -0.89 0.85 115.31 124.63 1va6 h LEU 130 Ca 0.13 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1va6 h LEU 130 Cb 0.63 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1va6 h LEU 130 CO 0.04 0.52 0.10 0.22 -0.34 0.00 0.00 178.44 178.98 1va6 h TYR 131 N 0.89 1.16 0.01 1.25 3.20 -0.99 0.26 116.97 122.75 1va6 h TYR 131 Ca 0.31 -0.17 -0.22 0.00 3.14 0.00 0.00 58.73 61.79 1va6 h TYR 131 Cb 0.11 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 1va6 h TYR 131 CO -0.00 0.98 -0.94 0.00 -1.64 0.00 0.00 178.16 176.56 1va6 h ARG 132 N 1.01 0.35 -0.21 1.82 3.08 -1.02 -0.74 114.38 118.67 1va6 h ARG 132 Ca 0.20 -0.39 0.03 0.00 0.07 0.00 0.00 59.98 59.89 1va6 h ARG 132 Cb 0.45 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1va6 h ARG 132 CO 0.01 1.07 0.02 1.49 -1.07 0.00 0.00 179.97 181.50 1va6 h GLU 133 N 0.19 0.09 -0.64 0.04 4.57 -0.48 0.36 114.58 118.71 1va6 h GLU 133 Ca -0.07 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.21 1va6 h GLU 133 Cb 1.58 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 30.07 1va6 h GLU 133 CO 0.16 0.06 0.22 0.78 -1.18 0.00 0.00 179.01 179.05 1va6 h GLY 134 N 0.09 0.91 0.93 1.92 0.00 -0.07 -2.38 103.07 104.46 1va6 h GLY 134 Ca 0.10 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1va6 h GLY 134 CO -0.15 -0.06 0.27 1.41 0.00 0.00 0.00 176.54 178.01 1va6 h LEU 135 N 0.39 0.44 -0.09 3.11 3.38 0.25 -1.94 115.31 120.84 1va6 h LEU 135 Ca 0.34 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.34 1va6 h LEU 135 Cb 0.46 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1va6 h LEU 135 CO -0.35 0.31 -0.09 0.50 0.09 0.00 0.00 178.44 178.90 1va6 h LYS 136 N 0.54 -0.12 0.00 1.13 3.64 -0.60 -0.49 116.57 120.67 1va6 h LYS 136 Ca 0.17 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1va6 h LYS 136 Cb -0.01 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1va6 h LYS 136 CO -0.07 -0.08 -0.08 -0.91 -2.27 0.00 0.00 179.45 176.05 1va6 h ASN 137 N -0.12 0.00 0.11 4.20 2.35 -1.20 0.30 115.58 121.22 1va6 h ASN 137 Ca 0.07 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.53 1va6 h ASN 137 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1va6 h ASN 137 CO -0.16 0.08 -1.52 0.03 -1.65 0.00 0.00 177.43 174.20 1va6 h ARG 138 N 0.00 0.23 0.00 0.81 3.08 -0.72 -3.43 114.38 114.36 1va6 h ARG 138 Ca -0.00 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1va6 h ARG 138 Cb 0.19 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1va6 h ARG 138 CO 0.01 1.19 -0.98 0.66 -1.07 0.00 0.00 179.97 179.78 1va6 n TYR 139 N -3.87 0.00 0.00 3.04 4.01 -0.25 -5.11 117.16 114.98 1va6 n TYR 139 Ca -0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1va6 n TYR 139 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.95 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 2.65 1.96 0.20 2.72 0.00 0.11 -4.60 105.19 108.22 1va6 n GLY 140 Ca 0.00 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 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 0.58 -0.50 4.61 0.00 -1.87 -3.14 119.26 118.94 1va6 h ALA 141 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1va6 h ALA 141 Cb 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.50 1va6 h ALA 141 CO 0.00 0.06 -0.30 1.25 0.00 0.00 0.00 179.25 180.25 1va6 h LEU 142 N 0.61 -1.04 -1.42 0.00 5.85 -1.88 -1.42 115.31 116.02 1va6 h LEU 142 Ca 0.17 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1va6 h LEU 142 Cb -0.03 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1va6 h LEU 142 CO -0.03 -0.30 0.38 -0.03 -0.34 0.00 0.00 178.44 178.12 1va6 h MET 143 N -0.18 0.77 0.00 1.25 4.05 -1.80 -2.09 114.93 116.93 1va6 h MET 143 Ca 0.21 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1va6 h MET 143 Cb 0.53 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1va6 h MET 143 CO -0.61 0.51 0.00 1.04 0.23 0.00 0.00 176.91 178.09 1va6 n GLN 144 N -4.44 0.83 0.00 0.39 1.13 -0.56 -2.57 117.38 112.15 1va6 n GLN 144 Ca 0.06 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.23 1va6 n GLN 144 Cb 0.05 -1.50 0.11 0.00 0.11 0.00 0.00 30.24 29.00 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 -1.08 0.00 -2.12 5.09 -2.24 -0.79 -4.63 114.28 108.51 1va6 n THR 145 Ca 0.21 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1va6 n THR 145 Cb 0.14 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 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 -2.31 3.02 0.15 2.28 1.01 -1.06 -4.70 121.20 119.58 1va6 s ILE 146 Ca 0.23 0.81 0.06 0.00 0.00 0.00 0.00 60.65 61.75 1va6 s ILE 146 Cb 0.19 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1va6 s ILE 146 CO 0.47 0.11 0.01 -0.94 0.00 0.00 0.00 174.94 174.59 1va6 s SER 147 N 0.57 4.91 0.28 3.58 1.04 0.27 -5.03 113.70 119.32 1va6 s SER 147 Ca 0.60 -0.30 -0.10 0.00 0.48 0.00 0.00 55.95 56.63 1va6 s SER 147 Cb -0.39 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.63 1va6 s SER 147 CO 0.37 0.11 0.49 -0.83 0.98 0.00 0.00 173.24 174.36 1va6 s GLY 148 N -2.75 0.81 -0.12 7.32 0.00 -1.26 -4.37 107.32 106.95 1va6 s GLY 148 Ca 0.27 -1.07 -0.00 0.00 0.00 0.00 0.00 44.72 43.92 1va6 s GLY 148 CO 0.19 -0.73 -0.12 0.14 0.00 0.00 0.00 173.10 172.58 1va6 s VAL 149 N -3.64 3.20 -0.18 1.40 1.01 -0.60 -2.23 120.40 119.36 1va6 s VAL 149 Ca 0.25 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1va6 s VAL 149 Cb -0.01 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1va6 s VAL 149 CO 0.12 0.53 -0.05 -1.00 0.00 0.00 0.00 175.10 174.70 1va6 s HIS 150 N 0.15 2.96 -0.32 5.22 3.76 0.43 -3.63 115.29 123.86 1va6 s HIS 150 Ca -0.06 -0.64 -0.10 0.00 -0.15 0.00 0.00 55.06 54.12 1va6 s HIS 150 Cb -0.15 -2.01 -0.00 0.00 1.11 0.00 0.00 32.58 31.53 1va6 s HIS 150 CO 0.04 -0.30 0.16 -0.47 -0.85 0.00 0.00 174.74 173.33 1va6 s TYR 151 N 0.89 3.19 -0.15 1.40 6.14 -0.40 -1.04 117.35 127.37 1va6 s TYR 151 Ca -0.01 -0.61 -0.07 0.00 0.64 0.00 0.00 57.07 57.02 1va6 s TYR 151 Cb -0.15 -2.37 -0.04 0.00 0.42 0.00 0.00 41.96 39.83 1va6 s TYR 151 CO 0.01 -0.48 0.08 -0.80 0.64 0.00 0.00 175.55 175.01 1va6 s ASN 152 N 1.61 5.83 -0.06 4.32 0.01 0.69 -1.29 114.94 126.05 1va6 s ASN 152 Ca 0.04 0.21 -0.09 0.00 -0.71 0.00 0.00 52.86 52.31 1va6 s ASN 152 Cb -0.17 -1.92 0.02 0.00 0.41 0.00 0.00 41.25 39.58 1va6 s ASN 152 CO 0.06 0.27 0.23 0.12 -1.51 0.00 0.00 177.10 176.28 1va6 s PHE 153 N -0.20 -0.20 -0.12 2.20 2.19 -0.59 -0.76 117.98 120.51 1va6 s PHE 153 Ca 0.08 0.45 -0.08 0.00 0.33 0.00 0.00 56.93 57.71 1va6 s PHE 153 Cb -0.12 0.07 0.04 0.00 -1.31 0.00 0.00 43.02 41.70 1va6 s PHE 153 CO 0.01 -0.19 0.29 -1.54 1.83 0.00 0.00 175.22 175.62 1va6 s SER 154 N -0.36 -0.32 0.47 6.13 1.04 -0.62 -1.65 113.70 118.39 1va6 s SER 154 Ca -0.05 0.61 -0.19 0.00 0.48 0.00 0.00 55.95 56.80 1va6 s SER 154 Cb -0.03 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.55 1va6 s SER 154 CO 0.01 -0.14 0.98 -0.76 0.98 0.00 0.00 173.24 174.31 1va6 s LEU 155 N 0.70 3.80 0.59 2.42 1.43 -1.26 -1.85 118.68 124.50 1va6 s LEU 155 Ca -0.04 1.68 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 1va6 s LEU 155 Cb -0.06 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 1va6 s LEU 155 CO -0.04 -0.53 1.17 -2.16 0.23 0.00 0.00 176.35 175.02 1va6 s PRO 156 N -3.55 3.05 0.37 1.29 0.04 -1.26 -4.88 135.00 130.07 1va6 s PRO 156 Ca 0.62 1.72 0.14 0.00 0.04 0.00 0.00 61.00 63.51 1va6 s PRO 156 Cb -0.10 -1.95 0.97 0.00 0.04 0.00 0.00 34.50 33.45 1va6 s PRO 156 CO 0.21 -1.11 1.80 0.52 0.04 0.00 0.00 177.00 178.46 1va6 h MET 157 N 0.88 0.51 0.00 4.56 2.86 -1.90 -0.97 114.93 120.87 1va6 h MET 157 Ca -0.50 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1va6 h MET 157 Cb 1.28 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1va6 h MET 157 CO 0.55 0.34 0.00 0.00 1.06 0.00 0.00 176.91 178.86 1va6 n ALA 158 N -2.44 1.54 -0.03 6.32 0.00 -1.26 -1.56 120.51 123.08 1va6 n ALA 158 Ca 0.23 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 1va6 n ALA 158 Cb 0.71 -1.25 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 1va6 n ALA 158 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1va6 h PHE 159 N 0.00 0.00 -0.52 0.00 3.57 -1.14 -2.66 116.94 116.19 1va6 h PHE 159 Ca 0.00 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1va6 h PHE 159 Cb 0.24 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1va6 h PHE 159 CO 0.00 0.64 -0.01 -1.49 -2.23 0.00 0.00 178.31 175.22 1va6 h TRP 160 N -0.64 0.96 -0.26 0.41 4.06 -1.50 -2.84 115.95 116.15 1va6 h TRP 160 Ca -0.00 -0.15 -0.00 0.00 2.06 0.00 0.00 58.89 60.80 1va6 h TRP 160 Cb 0.64 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1va6 h TRP 160 CO 0.15 0.88 0.14 1.96 -3.56 0.00 0.00 178.44 178.01 1va6 h GLN 161 N 0.82 0.36 0.00 0.49 4.20 -1.37 -2.04 115.11 117.57 1va6 h GLN 161 Ca 0.15 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1va6 h GLN 161 Cb 0.51 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1va6 h GLN 161 CO 0.03 0.32 -0.18 0.00 -0.67 0.00 0.00 178.83 178.32 1va6 h ALA 162 N 1.03 1.45 -0.00 3.87 0.00 -1.37 0.64 119.26 124.87 1va6 h ALA 162 Ca 0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1va6 h ALA 162 Cb 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1va6 h ALA 162 CO -0.02 0.22 -0.82 -0.22 0.00 0.00 0.00 179.25 178.41 1va6 h LYS 163 N 0.00 0.56 0.00 0.00 3.64 -1.31 -3.41 116.57 116.05 1va6 h LYS 163 Ca -0.00 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 1va6 h LYS 163 Cb 0.37 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1va6 h LYS 163 CO 0.02 1.22 -0.89 0.43 -2.27 0.00 0.00 179.45 177.96 1va6 n SER 164 N -4.04 4.30 -3.80 4.20 7.64 -0.79 -5.12 113.62 116.02 1va6 n SER 164 Ca -0.11 -0.06 -0.23 0.00 1.01 0.00 0.00 58.87 59.48 1va6 n SER 164 Cb 0.78 1.02 0.01 0.00 -1.01 0.00 0.00 64.21 65.01 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 2.29 -0.26 0.00 0.23 0.00 0.22 -5.05 105.19 102.62 1va6 n GLY 165 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1va6 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va6 n ALA 170 N -4.32 0.00 -0.06 4.61 0.00 -1.26 -5.01 120.51 114.47 1va6 n ALA 170 Ca -0.31 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.07 1va6 n ALA 170 Cb 0.68 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 1va6 n ALA 170 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1va6 h ASP 171 N 0.00 0.00 -0.92 0.00 1.82 -2.05 -3.36 116.42 111.90 1va6 h ASP 171 Ca 0.00 -0.39 0.27 0.00 -0.39 0.00 0.00 57.03 56.52 1va6 h ASP 171 Cb 0.00 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 1va6 h ASP 171 CO 0.00 0.74 0.87 0.00 -1.61 0.00 0.00 179.24 179.24 1va6 h ALA 172 N -0.61 2.78 0.16 -0.78 0.00 -2.02 -2.30 119.26 116.48 1va6 h ALA 172 Ca -0.02 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 1va6 h ALA 172 Cb 0.45 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.34 1va6 h ALA 172 CO -0.01 -1.34 -1.02 -0.22 0.00 0.00 0.00 179.25 176.66 1va6 h LYS 173 N 0.00 0.40 0.00 0.00 3.64 -1.95 -3.08 116.57 115.58 1va6 h LYS 173 Ca 0.44 -0.65 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1va6 h LYS 173 Cb 2.16 0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 34.22 1va6 h LYS 173 CO -0.00 1.30 -0.11 0.93 -2.27 0.00 0.00 179.45 179.30 1va6 h GLU 174 N -0.16 0.00 -0.16 1.90 5.08 -1.57 -2.42 114.58 117.26 1va6 h GLU 174 Ca -0.17 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 1va6 h GLU 174 Cb 1.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 1va6 h GLU 174 CO 0.19 0.11 -0.53 0.87 -1.00 0.00 0.00 179.01 178.65 1va6 h LYS 175 N 0.00 0.46 -0.14 2.33 1.57 -1.57 -2.09 116.57 117.13 1va6 h LYS 175 Ca -0.00 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 1va6 h LYS 175 Cb 0.19 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1va6 h LYS 175 CO 0.01 0.87 -0.11 0.82 -0.57 0.00 0.00 179.45 180.47 1va6 h ILE 176 N 0.36 1.34 -0.51 1.86 2.04 -1.35 -2.02 117.51 119.22 1va6 h ILE 176 Ca 0.01 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 1va6 h ILE 176 Cb 1.04 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 1va6 h ILE 176 CO 0.09 0.36 0.11 0.28 0.00 0.00 0.00 178.15 179.00 1va6 h SER 177 N -0.05 0.73 0.09 1.72 0.02 -1.44 -1.79 113.55 112.82 1va6 h SER 177 Ca 0.02 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1va6 h SER 177 Cb 0.63 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1va6 h SER 177 CO 0.03 0.73 -0.24 0.00 -1.14 0.00 0.00 176.83 176.20 1va6 h ALA 178 N 1.37 1.32 -0.47 3.77 0.00 -1.39 -1.10 119.26 122.75 1va6 h ALA 178 Ca 0.17 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1va6 h ALA 178 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1va6 h ALA 178 CO 0.00 0.46 0.02 0.78 0.00 0.00 0.00 179.25 180.51 1va6 h GLY 179 N 0.96 0.88 1.70 0.00 0.00 -0.62 -2.55 103.07 103.44 1va6 h GLY 179 Ca 0.04 -0.64 -0.20 0.00 0.00 0.00 0.00 47.33 46.53 1va6 h GLY 179 CO 0.04 0.59 -0.87 -0.97 0.00 0.00 0.00 176.54 175.33 1va6 h TYR 180 N 0.67 0.40 -0.86 5.60 0.05 -1.06 -2.63 116.97 119.14 1va6 h TYR 180 Ca 0.14 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 58.68 1va6 h TYR 180 Cb 0.48 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.13 1va6 h TYR 180 CO 0.04 1.01 0.44 0.74 -1.05 0.00 0.00 178.16 179.34 1va6 h PHE 181 N 0.16 1.21 -0.83 4.88 0.04 -1.21 0.35 116.94 121.55 1va6 h PHE 181 Ca -0.05 -0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.73 1va6 h PHE 181 Cb 1.49 -0.38 -0.06 0.00 2.20 0.00 0.00 35.95 39.20 1va6 h PHE 181 CO 0.04 0.86 0.52 -0.09 -0.60 0.00 0.00 178.31 179.03 1va6 h ARG 182 N 1.22 0.94 -0.20 1.51 2.43 -1.32 0.25 114.38 119.19 1va6 h ARG 182 Ca 0.30 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1va6 h ARG 182 Cb 0.08 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1va6 h ARG 182 CO -0.04 0.62 0.10 0.28 -1.51 0.00 0.00 179.97 179.42 1va6 h VAL 183 N 0.97 1.13 -0.76 0.20 2.07 -0.98 -1.55 116.25 117.32 1va6 h VAL 183 Ca 0.35 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1va6 h VAL 183 Cb 0.11 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1va6 h VAL 183 CO -0.15 0.12 0.36 0.40 0.02 0.00 0.00 177.57 178.32 1va6 h ILE 184 N 0.20 1.24 -0.59 4.57 2.04 -0.23 0.66 117.51 125.41 1va6 h ILE 184 Ca 0.07 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 1va6 h ILE 184 Cb 0.10 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1va6 h ILE 184 CO -0.01 0.29 0.20 0.03 0.00 0.00 0.00 178.15 178.66 1va6 h ARG 185 N 1.08 0.89 0.00 2.37 3.08 -0.22 -0.45 114.38 121.13 1va6 h ARG 185 Ca 0.26 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1va6 h ARG 185 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1va6 h ARG 185 CO -0.03 0.79 -0.53 -0.91 -1.07 0.00 0.00 179.97 178.22 1va6 h ASN 186 N 0.82 0.00 -0.15 7.04 2.35 -1.00 -2.70 115.58 121.94 1va6 h ASN 186 Ca 0.19 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 1va6 h ASN 186 Cb 0.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1va6 h ASN 186 CO -0.01 0.53 -0.18 0.22 -1.65 0.00 0.00 177.43 176.34 1va6 h TYR 187 N 0.00 0.47 -0.72 1.19 5.03 -0.29 -0.59 116.97 122.05 1va6 h TYR 187 Ca -0.01 -0.15 0.12 0.00 2.58 0.00 0.00 58.73 61.27 1va6 h TYR 187 Cb 1.10 -0.10 -0.05 0.00 1.55 0.00 0.00 36.73 39.24 1va6 h TYR 187 CO 0.00 0.80 0.48 1.88 -1.32 0.00 0.00 178.16 179.99 1va6 h TYR 188 N 0.01 0.58 0.04 -3.82 0.05 -0.99 0.14 116.97 112.97 1va6 h TYR 188 Ca 0.02 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.71 1va6 h TYR 188 Cb 0.73 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 38.30 1va6 h TYR 188 CO 0.09 0.25 -0.42 0.00 -1.05 0.00 0.00 178.16 177.03 1va6 h ARG 189 N 0.52 0.21 -0.03 4.88 3.08 -1.24 -3.40 114.38 118.41 1va6 h ARG 189 Ca 0.34 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1va6 h ARG 189 Cb 0.62 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1va6 h ARG 189 CO -0.12 1.06 0.00 1.19 -1.07 0.00 0.00 179.97 181.03 1va6 n PHE 190 N -4.37 0.03 0.50 3.04 3.72 -0.25 -4.68 117.46 115.46 1va6 n PHE 190 Ca -0.11 -0.20 0.11 0.00 -0.05 0.00 0.00 57.45 57.20 1va6 n PHE 190 Cb 0.62 -0.02 0.45 0.00 -0.94 0.00 0.00 39.48 39.60 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 -0.06 -1.33 0.34 1.37 0.00 0.47 -3.04 105.19 102.94 1va6 n GLY 191 Ca 0.02 0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.01 1.61 5.08 -1.83 -0.35 115.95 119.45 1va6 h TRP 192 Ca 0.00 0.00 0.24 0.00 1.08 0.00 0.00 58.89 60.21 1va6 h TRP 192 Cb 0.43 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.49 1va6 h TRP 192 CO 0.00 0.00 0.64 -0.24 -1.28 0.00 0.00 178.44 177.56 1va6 h VAL 193 N 0.00 0.58 0.38 0.12 3.04 -1.94 -2.49 116.25 115.94 1va6 h VAL 193 Ca 0.06 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.57 1va6 h VAL 193 Cb 0.55 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.90 1va6 h VAL 193 CO -0.00 0.09 -0.18 0.40 -1.01 0.00 0.00 177.57 176.86 1va6 h ILE 194 N 0.47 0.62 -0.72 3.17 2.04 -1.34 -1.97 117.51 119.77 1va6 h ILE 194 Ca 0.58 -0.36 0.09 0.00 1.00 0.00 0.00 64.86 66.17 1va6 h ILE 194 Cb 1.33 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1va6 h ILE 194 CO -0.31 0.07 0.48 -0.65 0.00 0.00 0.00 178.15 177.74 1va6 h PRO 195 N -0.72 0.61 0.19 2.37 0.11 -1.69 -0.18 132.00 132.69 1va6 h PRO 195 Ca -0.05 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1va6 h PRO 195 Cb 0.50 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1va6 h PRO 195 CO 0.09 0.40 -0.09 -0.92 -0.21 0.00 0.00 178.00 177.26 1va6 h TYR 196 N 0.62 -0.24 -0.00 0.65 3.20 -1.23 0.13 116.97 120.10 1va6 h TYR 196 Ca 0.33 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.11 1va6 h TYR 196 Cb 0.46 0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.82 1va6 h TYR 196 CO -0.00 -0.08 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.03 1va6 h LEU 197 N -0.34 0.30 -1.43 2.82 3.38 -1.08 -3.39 115.31 115.56 1va6 h LEU 197 Ca -0.03 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1va6 h LEU 197 Cb 0.27 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1va6 h LEU 197 CO 0.04 1.03 0.00 0.49 0.09 0.00 0.00 178.44 180.10 1va6 n PHE 198 N -4.43 0.03 -1.68 1.13 3.72 -0.10 -2.17 117.46 113.95 1va6 n PHE 198 Ca -0.10 -0.08 -0.44 0.00 -0.05 0.00 0.00 57.45 56.78 1va6 n PHE 198 Cb 0.55 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 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 0.17 0.84 2.11 1.37 0.00 0.44 -4.53 105.19 105.60 1va6 n GLY 199 Ca 0.03 0.49 0.02 0.00 0.00 0.00 0.00 46.02 46.55 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 1.90 2.50 -3.15 4.61 0.00 -1.06 -1.12 120.51 124.20 1va6 n ALA 200 Ca 0.11 -2.47 -0.17 0.00 0.00 0.00 0.00 53.44 50.90 1va6 n ALA 200 Cb 0.32 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.04 0.60 0.06 0.00 3.41 -0.60 -4.71 113.62 112.34 1va6 n SER 201 Ca 0.05 -3.06 0.13 0.00 -0.26 0.00 0.00 58.87 55.73 1va6 n SER 201 Cb 0.98 -0.43 0.49 0.00 -0.26 0.00 0.00 64.21 64.99 1va6 n SER 201 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1va6 n PRO 202 N 0.28 0.13 -4.54 4.33 -0.04 -1.22 -1.15 135.00 132.79 1va6 n PRO 202 Ca 0.23 0.16 -0.24 0.00 -0.04 0.00 0.00 63.50 63.62 1va6 n PRO 202 Cb 0.67 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 1va6 n PRO 202 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1va6 s ALA 203 N -3.08 1.59 0.03 0.55 0.00 -1.26 -2.91 121.76 116.68 1va6 s ALA 203 Ca 0.11 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1va6 s ALA 203 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1va6 s ALA 203 CO 0.51 0.34 -0.01 0.96 0.00 0.00 0.00 175.76 177.56 1va6 s ILE 204 N -0.83 0.14 0.72 0.00 -4.36 0.11 -4.96 121.20 112.03 1va6 s ILE 204 Ca 0.06 -1.18 -0.11 0.00 -0.26 0.00 0.00 60.65 59.16 1va6 s ILE 204 Cb -0.09 -0.68 0.03 0.00 1.25 0.00 0.00 42.46 42.97 1va6 s ILE 204 CO 0.02 -0.65 1.07 -0.94 0.24 0.00 0.00 174.94 174.68 1va6 s SER 205 N -1.94 5.11 0.62 4.36 1.04 -1.26 -1.56 113.70 120.07 1va6 s SER 205 Ca -0.08 1.56 0.30 0.00 0.48 0.00 0.00 55.95 58.21 1va6 s SER 205 Cb -0.04 -2.40 1.63 0.00 0.10 0.00 0.00 66.02 65.31 1va6 s SER 205 CO -0.04 -1.61 1.99 0.77 0.98 0.00 0.00 173.24 175.33 1va6 h SER 206 N -0.83 0.00 -0.32 7.02 4.64 -1.90 -2.45 113.55 119.71 1va6 h SER 206 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1va6 h SER 206 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1va6 h SER 206 CO 0.57 0.00 0.13 0.28 -0.87 0.00 0.00 176.83 176.94 1va6 h SER 207 N 0.00 0.48 0.31 4.97 0.02 -1.92 -0.71 113.55 116.70 1va6 h SER 207 Ca 0.10 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1va6 h SER 207 Cb 0.75 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1va6 h SER 207 CO -0.00 0.45 -0.02 0.49 -1.14 0.00 0.00 176.83 176.61 1va6 n PHE 208 N -4.38 0.00 -4.10 3.45 3.01 -0.92 -4.56 117.46 109.96 1va6 n PHE 208 Ca 0.02 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.20 1va6 n PHE 208 Cb 0.15 -0.16 -0.07 0.00 -0.01 0.00 0.00 39.48 39.40 1va6 n PHE 208 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1va6 s LEU 209 N -2.33 3.66 0.00 4.37 1.43 -0.28 -4.95 118.68 120.58 1va6 s LEU 209 Ca 0.36 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1va6 s LEU 209 Cb 0.21 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1va6 s LEU 209 CO 0.43 0.13 0.00 0.35 0.23 0.00 0.00 176.35 177.49 1va6 n THR 214 N 0.14 0.00 1.45 5.49 -2.24 -1.26 -5.12 114.28 112.74 1va6 n THR 214 Ca -0.09 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.83 1va6 n THR 214 Cb 0.53 0.00 0.48 0.00 -2.10 0.00 0.00 70.33 69.24 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 1.59 -4.73 3.42 3.41 -1.26 -4.92 113.62 111.12 1va6 n SER 215 Ca 0.00 -1.50 -0.42 0.00 -0.26 0.00 0.00 58.87 56.69 1va6 n SER 215 Cb 0.00 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.03 4.39 -1.11 1.04 1.43 -1.26 -4.89 118.68 116.25 1va6 s LEU 216 Ca 0.36 2.47 -0.15 0.00 -1.03 0.00 0.00 54.13 55.78 1va6 s LEU 216 Cb 0.21 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.75 1va6 s LEU 216 CO 0.34 -0.63 2.19 -0.81 0.23 0.00 0.00 176.35 177.68 1va6 n PRO 217 N 3.01 2.31 -2.10 1.29 -0.04 -1.26 -4.93 135.00 133.28 1va6 n PRO 217 Ca 0.08 -2.02 -0.37 0.00 -0.04 0.00 0.00 63.50 61.16 1va6 n PRO 217 Cb 0.42 -2.90 0.01 0.00 -0.04 0.00 0.00 33.50 30.99 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 3.76 2.63 0.45 0.54 0.08 -1.26 -4.81 117.98 119.36 1va6 s PHE 218 Ca 0.52 1.49 0.01 0.00 0.12 0.00 0.00 56.93 59.08 1va6 s PHE 218 Cb 0.14 -3.49 -0.00 0.00 -0.57 0.00 0.00 43.02 39.09 1va6 s PHE 218 CO 0.00 -1.97 0.03 0.39 -0.10 0.00 0.00 175.22 173.57 1va6 n GLU 219 N -0.88 0.80 -4.01 0.44 1.02 0.88 -4.92 120.64 113.96 1va6 n GLU 219 Ca 0.10 -3.37 -0.17 0.00 -0.02 0.00 0.00 57.16 53.69 1va6 n GLU 219 Cb 0.48 1.12 -0.16 0.00 -0.02 0.00 0.00 31.44 32.86 1va6 n GLU 219 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1va6 s LYS 220 N -3.63 0.40 0.80 3.49 2.47 -1.26 -1.24 119.74 120.76 1va6 s LYS 220 Ca 0.05 -0.01 -0.05 0.00 -1.56 0.00 0.00 55.97 54.39 1va6 s LYS 220 Cb 0.00 -0.50 0.15 0.00 -1.46 0.00 0.00 37.83 36.03 1va6 s LYS 220 CO 0.03 -0.07 1.10 0.95 0.16 0.00 0.00 175.35 177.53 1va6 s THR 221 N 0.70 2.08 0.12 3.43 -4.23 0.15 -4.96 115.64 112.93 1va6 s THR 221 Ca -0.07 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1va6 s THR 221 Cb -0.11 -2.66 -0.20 0.00 1.34 0.00 0.00 72.50 70.87 1va6 s THR 221 CO -0.01 0.00 1.27 -0.33 -0.54 0.00 0.00 174.62 175.01 1va6 h GLU 222 N -0.88 0.38 0.00 3.99 4.39 -1.86 -3.14 114.58 117.45 1va6 h GLU 222 Ca -0.38 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 58.87 1va6 h GLU 222 Cb 1.26 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1va6 h GLU 222 CO 0.39 1.13 0.00 0.43 -1.16 0.00 0.00 179.01 179.80 1va6 n SER 223 N -3.70 0.00 0.00 1.42 7.64 -1.26 -4.84 113.62 112.88 1va6 n SER 223 Ca -0.07 -1.43 0.00 0.00 1.01 0.00 0.00 58.87 58.38 1va6 n SER 223 Cb 0.87 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1va6 n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va6 n GLY 224 N 0.56 0.75 3.80 0.23 0.00 -1.19 -5.09 105.19 104.26 1va6 n GLY 224 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.78 4.37 -0.05 1.61 -1.94 -1.26 -4.68 119.30 116.56 1va6 s MET 225 Ca 0.00 1.03 -0.11 0.00 -1.71 0.00 0.00 55.69 54.91 1va6 s MET 225 Cb 0.00 -2.85 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 1va6 s MET 225 CO 0.00 0.35 0.28 0.71 -0.01 0.00 0.00 175.02 176.36 1va6 s TYR 226 N -1.56 3.66 0.11 -0.03 1.51 -0.60 0.34 117.35 120.79 1va6 s TYR 226 Ca 0.46 0.77 -0.16 0.00 -1.01 0.00 0.00 57.07 57.12 1va6 s TYR 226 Cb -0.17 -2.12 0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1va6 s TYR 226 CO 0.22 0.68 0.40 1.52 -1.11 0.00 0.00 175.55 177.27 1va6 s TYR 227 N -1.07 -0.21 -0.15 2.71 1.13 -0.37 0.08 117.35 119.45 1va6 s TYR 227 Ca 0.20 -0.07 -0.07 0.00 -1.41 0.00 0.00 57.07 55.73 1va6 s TYR 227 Cb -0.14 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.93 1va6 s TYR 227 CO 0.09 -0.68 0.07 -0.51 -2.51 0.00 0.00 175.55 172.01 1va6 s LEU 228 N -2.69 3.92 0.37 -3.49 1.43 -1.15 -0.08 118.68 116.98 1va6 s LEU 228 Ca 0.02 0.18 0.17 0.00 -1.03 0.00 0.00 54.13 53.47 1va6 s LEU 228 Cb 0.02 -1.97 0.71 0.00 0.03 0.00 0.00 46.19 44.98 1va6 s LEU 228 CO -0.11 0.26 1.77 1.55 0.23 0.00 0.00 176.35 180.05 1va6 h PRO 229 N 6.08 0.00 -0.21 1.29 0.13 -1.88 -2.93 132.00 134.47 1va6 h PRO 229 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1va6 h PRO 229 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1va6 h PRO 229 CO 0.66 0.39 0.00 0.66 -0.23 0.00 0.00 178.00 179.48 1va6 n TYR 230 N -3.71 0.50 -2.12 1.56 4.01 -1.26 -5.01 117.16 111.12 1va6 n TYR 230 Ca -0.01 -0.71 -0.32 0.00 -0.16 0.00 0.00 57.90 56.70 1va6 n TYR 230 Cb 0.48 -0.15 -0.01 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.94 3.00 -0.02 -0.72 0.00 -1.11 -1.17 121.76 119.79 1va6 s ALA 231 Ca 0.28 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 1va6 s ALA 231 Cb 0.21 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1va6 s ALA 231 CO 0.09 -0.53 -0.10 0.25 0.00 0.00 0.00 175.76 175.46 1va6 n THR 232 N -2.12 0.96 -3.44 0.00 -2.24 -0.72 -4.60 114.28 102.12 1va6 n THR 232 Ca 0.07 0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.73 1va6 n THR 232 Cb 0.54 -1.73 -0.11 0.00 -2.10 0.00 0.00 70.33 66.93 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 -5.87 2.62 0.51 3.42 0.15 -1.22 -1.56 113.70 111.76 1va6 s SER 233 Ca -0.09 -2.13 0.30 0.00 0.70 0.00 0.00 55.95 54.72 1va6 s SER 233 Cb 0.02 -0.25 1.18 0.00 -1.71 0.00 0.00 66.02 65.27 1va6 s SER 233 CO 0.13 -0.30 1.92 -0.07 1.20 0.00 0.00 173.24 176.12 1va6 h LEU 234 N 6.96 0.00 -1.86 3.45 3.38 -1.38 -2.34 115.31 123.53 1va6 h LEU 234 Ca 0.07 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.20 1va6 h LEU 234 Cb 0.98 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1va6 h LEU 234 CO 0.25 0.08 0.45 -0.09 0.09 0.00 0.00 178.44 179.22 1va6 h ARG 235 N 0.00 0.14 -0.06 1.13 2.43 -1.93 0.22 114.38 116.30 1va6 h ARG 235 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1va6 h ARG 235 Cb 0.61 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1va6 h ARG 235 CO 0.01 0.09 0.00 1.28 -1.51 0.00 0.00 179.97 179.84 1va6 n LEU 236 N -4.40 2.10 0.00 3.80 4.77 -0.88 -0.30 117.00 122.08 1va6 n LEU 236 Ca 0.12 -0.74 -0.17 0.00 -0.03 0.00 0.00 56.01 55.20 1va6 n LEU 236 Cb 0.61 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.78 1va6 n LEU 236 CO 0.36 0.37 0.46 -1.54 -1.33 0.00 0.00 177.39 175.70 1va6 n SER 237 N 0.63 0.49 0.09 -1.43 3.41 0.75 -4.92 113.62 112.64 1va6 n SER 237 Ca 0.17 -1.53 0.12 0.00 -0.26 0.00 0.00 58.87 57.37 1va6 n SER 237 Cb 0.44 -0.53 0.46 0.00 -0.26 0.00 0.00 64.21 64.32 1va6 n SER 237 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1va6 n ASP 238 N -3.23 0.57 0.02 4.04 8.00 -1.26 -2.11 116.55 122.58 1va6 n ASP 238 Ca 0.11 0.58 0.13 0.00 0.71 0.00 0.00 54.79 56.32 1va6 n ASP 238 Cb 0.38 -0.73 0.41 0.00 -0.02 0.00 0.00 41.12 41.16 1va6 n ASP 238 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1va6 n LEU 239 N -2.07 0.37 0.00 0.64 4.77 -1.26 -4.73 117.00 114.72 1va6 n LEU 239 Ca 0.05 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1va6 n LEU 239 Cb 0.34 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1va6 n LEU 239 CO 0.25 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1va6 n GLY 240 N 1.45 0.77 3.52 -0.72 0.00 -0.90 -4.94 105.19 104.36 1va6 n GLY 240 Ca 0.06 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1va6 n GLY 240 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1va6 n TYR 241 N 0.00 4.83 -2.74 1.61 9.36 0.59 -4.93 117.16 125.88 1va6 n TYR 241 Ca 0.00 -3.12 -0.40 0.00 3.32 0.00 0.00 57.90 57.70 1va6 n TYR 241 Cb 0.00 -2.40 -0.06 0.00 -0.63 0.00 0.00 39.34 36.25 1va6 n TYR 241 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1va6 s THR 242 N 2.79 4.08 -0.36 2.97 2.01 -1.26 -4.85 115.64 121.02 1va6 s THR 242 Ca 0.48 2.07 0.07 0.00 0.31 0.00 0.00 61.69 64.61 1va6 s THR 242 Cb 0.00 -4.32 0.52 0.00 0.01 0.00 0.00 72.50 68.72 1va6 s THR 242 CO 0.04 0.48 1.56 -0.46 -0.69 0.00 0.00 174.62 175.55 1va6 n ASN 243 N 1.58 3.48 -0.03 3.53 0.23 -1.26 -4.78 115.26 118.02 1va6 n ASN 243 Ca -0.02 -3.77 -0.12 0.00 -0.53 0.00 0.00 54.58 50.14 1va6 n ASN 243 Cb 0.47 -0.67 -0.07 0.00 -2.08 0.00 0.00 39.78 37.43 1va6 n ASN 243 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1va6 h LYS 244 N 1.25 0.15 0.00 -3.83 1.79 -1.95 -2.11 116.57 111.87 1va6 h LYS 244 Ca 0.34 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1va6 h LYS 244 Cb 1.73 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.37 1va6 h LYS 244 CO 0.67 0.43 0.00 -1.13 -1.08 0.00 0.00 179.45 178.34 1va6 n SER 245 N -4.82 0.00 -1.08 0.86 3.41 -1.26 -1.57 113.62 109.16 1va6 n SER 245 Ca -0.06 0.42 0.08 0.00 -0.26 0.00 0.00 58.87 59.05 1va6 n SER 245 Cb 0.20 -0.43 0.27 0.00 -0.26 0.00 0.00 64.21 63.99 1va6 n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1va6 n GLN 246 N -1.43 3.28 -0.08 4.33 6.02 -0.79 -4.74 117.38 123.97 1va6 n GLN 246 Ca 0.00 -2.67 0.05 0.00 -0.01 0.00 0.00 57.00 54.37 1va6 n GLN 246 Cb 0.01 -1.74 0.40 0.00 1.02 0.00 0.00 30.24 29.93 1va6 n GLN 246 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1va6 h SER 247 N 2.61 0.55 0.63 1.08 0.02 -1.32 -3.15 113.55 113.99 1va6 h SER 247 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1va6 h SER 247 Cb 1.30 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1va6 h SER 247 CO 0.19 0.38 -0.60 0.59 -1.14 0.00 0.00 176.83 176.24 1va6 n ASN 248 N -4.47 0.58 0.15 3.07 3.02 -1.26 -4.45 115.26 111.91 1va6 n ASN 248 Ca 0.06 -0.10 0.06 0.00 -0.03 0.00 0.00 54.58 54.58 1va6 n ASN 248 Cb 0.14 0.27 0.34 0.00 -0.61 0.00 0.00 39.78 39.92 1va6 n ASN 248 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1va6 n LEU 249 N -1.78 0.32 -2.72 3.41 4.77 -1.19 -4.75 117.00 115.06 1va6 n LEU 249 Ca 0.04 0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 56.40 1va6 n LEU 249 Cb 0.39 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1va6 n LEU 249 CO 0.36 -0.65 -0.12 0.61 -1.33 0.00 0.00 177.39 176.25 1va6 n GLY 250 N -1.28 -0.50 3.72 -0.72 0.00 -1.26 -4.92 105.19 100.23 1va6 n GLY 250 Ca -0.01 0.04 -0.42 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 -2.81 4.32 0.40 -0.61 1.01 -1.26 -4.86 121.20 117.39 1va6 s ILE 251 Ca 0.13 1.76 0.07 0.00 0.00 0.00 0.00 60.65 62.61 1va6 s ILE 251 Cb -0.06 -4.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.21 1va6 s ILE 251 CO 0.16 0.19 0.03 0.42 0.00 0.00 0.00 174.94 175.74 1va6 s THR 252 N 0.63 2.13 -0.40 2.92 -4.23 -1.26 -4.80 115.64 110.62 1va6 s THR 252 Ca 0.53 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 59.17 1va6 s THR 252 Cb -0.26 -2.95 0.43 0.00 1.34 0.00 0.00 72.50 71.06 1va6 s THR 252 CO 0.30 -0.04 1.04 0.49 -0.54 0.00 0.00 174.62 175.88 1va6 n PHE 253 N -1.00 2.60 -0.06 3.99 3.72 -1.26 -4.39 117.46 121.05 1va6 n PHE 253 Ca -0.04 -3.04 -0.07 0.00 -0.05 0.00 0.00 57.45 54.24 1va6 n PHE 253 Cb 0.66 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.91 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 2.19 -3.79 4.37 3.02 -1.26 -4.66 115.26 114.81 1va6 n ASN 254 Ca 0.28 -0.02 -0.13 0.00 -0.03 0.00 0.00 54.58 54.68 1va6 n ASN 254 Cb 0.71 0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 40.28 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 -4.76 -0.12 0.12 6.41 -1.08 -1.26 -4.97 116.67 111.01 1va6 s ASP 255 Ca -0.10 0.27 -0.23 0.00 -0.52 0.00 0.00 52.55 51.98 1va6 s ASP 255 Cb 0.04 0.22 -0.05 0.00 -1.46 0.00 0.00 42.92 41.67 1va6 s ASP 255 CO 0.46 -0.09 1.68 0.25 0.52 0.00 0.00 175.17 178.00 1va6 h LEU 256 N 6.51 -0.36 -0.87 -1.34 5.85 -1.95 0.18 115.31 123.33 1va6 h LEU 256 Ca -0.33 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 1va6 h LEU 256 Cb 1.17 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1va6 h LEU 256 CO 0.43 -0.16 0.15 1.88 -0.34 0.00 0.00 178.44 180.40 1va6 h TYR 257 N -0.16 1.03 -0.69 1.25 0.05 -1.98 0.53 116.97 117.00 1va6 h TYR 257 Ca 0.07 -0.11 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 1va6 h TYR 257 Cb 0.26 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1va6 h TYR 257 CO -0.21 0.85 0.23 0.93 -1.05 0.00 0.00 178.16 178.91 1va6 h GLU 258 N 0.94 1.07 0.11 4.88 5.08 -1.87 0.13 114.58 124.92 1va6 h GLU 258 Ca 0.20 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1va6 h GLU 258 Cb 0.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1va6 h GLU 258 CO 0.00 0.91 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.95 1va6 h TYR 259 N 1.01 -0.13 -0.85 4.33 3.20 -0.13 -1.62 116.97 122.78 1va6 h TYR 259 Ca 0.23 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1va6 h TYR 259 Cb 0.28 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1va6 h TYR 259 CO 0.02 0.20 0.50 0.28 -1.64 0.00 0.00 178.16 177.52 1va6 h VAL 260 N -0.47 1.24 -0.44 1.81 2.07 -0.86 -0.27 116.25 119.32 1va6 h VAL 260 Ca -0.01 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1va6 h VAL 260 Cb 0.39 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1va6 h VAL 260 CO 0.02 0.25 0.22 0.00 0.02 0.00 0.00 177.57 178.09 1va6 h ALA 261 N 1.38 0.55 -0.08 1.67 0.00 -0.59 0.63 119.26 122.81 1va6 h ALA 261 Ca 0.30 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1va6 h ALA 261 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1va6 h ALA 261 CO -0.06 -0.13 -0.39 0.78 0.00 0.00 0.00 179.25 179.45 1va6 h GLY 262 N 0.45 0.19 0.81 0.00 0.00 -0.83 -1.01 103.07 102.68 1va6 h GLY 262 Ca 0.19 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 1va6 h GLY 262 CO -0.13 0.16 -0.36 -2.00 0.00 0.00 0.00 176.54 174.21 1va6 h LEU 263 N 0.15 0.53 -0.85 3.11 5.85 -0.39 -2.44 115.31 121.29 1va6 h LEU 263 Ca 0.01 -0.59 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 1va6 h LEU 263 Cb 0.77 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1va6 h LEU 263 CO 0.06 1.03 0.42 0.11 -0.34 0.00 0.00 178.44 179.72 1va6 h LYS 264 N 0.06 1.21 -0.19 1.25 1.57 -0.81 -2.71 116.57 116.95 1va6 h LYS 264 Ca -0.01 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1va6 h LYS 264 Cb 0.98 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1va6 h LYS 264 CO 0.08 0.92 -0.08 0.37 -0.57 0.00 0.00 179.45 180.17 1va6 h GLN 265 N 1.20 0.29 -0.01 3.15 4.15 -1.16 -2.87 115.11 119.86 1va6 h GLN 265 Ca 0.29 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.53 1va6 h GLN 265 Cb 0.10 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1va6 h GLN 265 CO -0.04 0.38 -0.57 0.00 -1.93 0.00 0.00 178.83 176.67 1va6 h ALA 266 N 1.65 1.05 0.00 3.38 0.00 -1.11 -1.67 119.26 122.55 1va6 h ALA 266 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1va6 h ALA 266 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1va6 h ALA 266 CO 0.02 0.71 0.00 0.82 0.00 0.00 0.00 179.25 180.80 1va6 h ILE 267 N 0.01 0.00 0.00 0.00 1.08 -1.37 -3.07 117.51 114.17 1va6 h ILE 267 Ca -0.01 -0.26 -0.33 0.00 -0.39 0.00 0.00 64.86 63.87 1va6 h ILE 267 Cb 1.01 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 35.77 1va6 h ILE 267 CO 0.08 0.00 -2.25 0.29 -0.69 0.00 0.00 178.15 175.58 1va6 n LYS 268 N -2.59 0.78 -1.58 2.37 5.02 -0.99 -4.78 118.16 116.39 1va6 n LYS 268 Ca 0.01 0.08 -0.53 0.00 -2.02 0.00 0.00 58.31 55.84 1va6 n LYS 268 Cb 0.21 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1va6 n LYS 268 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1va6 n THR 269 N -2.96 0.30 -1.68 -0.18 -1.04 -0.66 -4.86 114.28 103.19 1va6 n THR 269 Ca -0.35 -0.14 -0.39 0.00 -2.04 0.00 0.00 64.05 61.13 1va6 n THR 269 Cb 0.98 -1.48 0.04 0.00 -1.82 0.00 0.00 70.33 68.05 1va6 n THR 269 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1va6 n PRO 270 N 6.83 1.37 -3.87 -2.82 -0.02 -1.26 -2.07 135.00 133.15 1va6 n PRO 270 Ca 0.33 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 62.02 1va6 n PRO 270 Cb 0.19 -2.37 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 1va6 n PRO 270 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1va6 s SER 271 N -1.01 3.76 0.57 2.55 0.15 -1.00 -4.69 113.70 114.03 1va6 s SER 271 Ca 0.72 -1.26 0.27 0.00 0.70 0.00 0.00 55.95 56.38 1va6 s SER 271 Cb -0.44 -1.04 1.55 0.00 -1.71 0.00 0.00 66.02 64.38 1va6 s SER 271 CO 0.49 -0.29 2.07 -0.08 1.20 0.00 0.00 173.24 176.63 1va6 h GLU 272 N 8.01 0.00 -0.04 5.44 4.81 -1.95 -1.26 114.58 129.60 1va6 h GLU 272 Ca -0.16 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.90 1va6 h GLU 272 Cb 1.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1va6 h GLU 272 CO 0.41 0.00 -0.74 1.49 -0.73 0.00 0.00 179.01 179.45 1va6 h GLU 273 N 0.00 0.22 0.00 1.92 4.57 -1.94 -3.19 114.58 116.16 1va6 h GLU 273 Ca 0.12 -0.19 -0.21 0.00 -1.18 0.00 0.00 59.36 57.90 1va6 h GLU 273 Cb 0.60 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1va6 h GLU 273 CO -0.00 0.86 -1.13 1.88 -1.18 0.00 0.00 179.01 179.44 1va6 h TYR 274 N 0.15 0.00 -0.99 0.92 0.05 -1.53 -3.20 116.97 112.37 1va6 h TYR 274 Ca -0.02 0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.93 1va6 h TYR 274 Cb 1.30 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.94 1va6 h TYR 274 CO 0.03 0.88 0.61 0.00 -1.05 0.00 0.00 178.16 178.63 1va6 h ALA 275 N 1.12 1.74 -0.95 3.88 0.00 -1.41 -2.07 119.26 121.57 1va6 h ALA 275 Ca -0.09 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1va6 h ALA 275 Cb 1.75 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 1va6 h ALA 275 CO 0.10 -0.07 0.60 0.87 0.00 0.00 0.00 179.25 180.75 1va6 h LYS 276 N 0.75 0.75 -0.27 0.00 1.57 -1.54 -1.50 116.57 116.33 1va6 h LYS 276 Ca 0.54 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 59.15 1va6 h LYS 276 Cb 0.86 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1va6 h LYS 276 CO -0.32 0.50 -0.36 0.82 -0.57 0.00 0.00 179.45 179.52 1va6 h ILE 277 N 0.77 1.29 0.00 1.86 2.04 -1.53 -3.50 117.51 118.45 1va6 h ILE 277 Ca 0.50 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1va6 h ILE 277 Cb 0.74 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1va6 h ILE 277 CO -0.26 0.48 0.00 0.61 0.00 0.00 0.00 178.15 178.98 1va6 n GLY 278 N -0.09 -0.51 0.22 5.37 0.00 -0.57 -4.89 105.19 104.73 1va6 n GLY 278 Ca -0.01 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 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 1.29 -3.60 -0.61 2.04 -1.86 -3.39 117.51 111.37 1va6 h ILE 279 Ca 0.00 -1.97 -0.25 0.00 1.00 0.00 0.00 64.86 63.64 1va6 h ILE 279 Cb 0.00 1.96 -0.30 0.00 -0.74 0.00 0.00 36.82 37.74 1va6 h ILE 279 CO 0.00 0.62 -0.70 -0.70 0.00 0.00 0.00 178.15 177.37 1va6 s GLU 280 N -3.78 0.01 -0.13 2.37 2.12 -1.26 -1.71 118.70 116.32 1va6 s GLU 280 Ca -0.09 0.10 -0.06 0.00 0.36 0.00 0.00 54.97 55.28 1va6 s GLU 280 Cb 0.09 -0.08 0.05 0.00 0.26 0.00 0.00 34.13 34.46 1va6 s GLU 280 CO 0.89 -0.06 0.29 0.21 -0.54 0.00 0.00 175.26 176.05 1va6 s LYS 281 N 0.41 0.24 -1.52 4.30 2.20 -0.18 -4.90 119.74 120.28 1va6 s LYS 281 Ca -0.03 0.65 -0.11 0.00 -0.36 0.00 0.00 55.97 56.11 1va6 s LYS 281 Cb -0.05 -0.07 0.08 0.00 -1.51 0.00 0.00 37.83 36.29 1va6 s LYS 281 CO -0.01 -0.19 0.84 -0.25 -0.36 0.00 0.00 175.35 175.38 1va6 n ASP 282 N 4.50 -3.45 0.00 1.43 8.00 -1.26 -1.36 116.55 124.40 1va6 n ASP 282 Ca -0.21 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1va6 n ASP 282 Cb 0.53 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 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 -1.65 0.47 3.44 0.44 0.00 -1.26 -5.00 105.19 101.64 1va6 n GLY 283 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.55 3.23 0.24 1.61 2.20 -0.46 -5.11 119.74 120.91 1va6 s LYS 284 Ca 0.00 -0.63 -0.28 0.00 -0.36 0.00 0.00 55.97 54.70 1va6 s LYS 284 Cb 0.00 -2.65 -0.09 0.00 -1.51 0.00 0.00 37.83 33.58 1va6 s LYS 284 CO 0.00 0.34 0.91 1.03 -0.36 0.00 0.00 175.35 177.27 1va6 s ARG 285 N 0.03 4.75 -0.06 4.03 0.52 -1.26 -1.01 118.95 125.96 1va6 s ARG 285 Ca -0.03 1.40 0.05 0.00 -0.52 0.00 0.00 55.73 56.62 1va6 s ARG 285 Cb -0.14 -3.17 -0.07 0.00 0.52 0.00 0.00 34.95 32.08 1va6 s ARG 285 CO 0.04 0.48 0.02 1.28 0.02 0.00 0.00 175.30 177.13 1va6 n LEU 286 N 1.31 0.14 -4.00 2.53 4.77 -0.70 -4.94 117.00 116.12 1va6 n LEU 286 Ca -0.02 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 1va6 n LEU 286 Cb 0.48 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1va6 n LEU 286 CO 0.48 0.17 0.20 0.00 -1.33 0.00 0.00 177.39 176.91 1va6 s GLN 287 N -2.14 1.66 0.06 3.23 -2.07 -1.24 -1.72 119.66 117.43 1va6 s GLN 287 Ca -0.03 -1.34 -0.12 0.00 -1.82 0.00 0.00 55.36 52.05 1va6 s GLN 287 Cb 0.02 0.48 -0.28 0.00 -1.09 0.00 0.00 33.01 32.14 1va6 s GLN 287 CO 0.23 -0.70 1.11 0.82 -1.32 0.00 0.00 175.29 175.44 1va6 h ILE 288 N 2.21 1.33 -3.13 3.63 2.04 -1.89 -3.46 117.51 118.24 1va6 h ILE 288 Ca -0.27 -2.62 -0.01 0.00 1.00 0.00 0.00 64.86 62.97 1va6 h ILE 288 Cb 1.25 2.78 -0.03 0.00 -0.74 0.00 0.00 36.82 40.08 1va6 h ILE 288 CO 0.36 0.79 0.20 0.54 0.00 0.00 0.00 178.15 180.03 1va6 s ASN 289 N -7.37 -0.03 -0.43 1.72 2.20 -1.26 -5.04 114.94 104.72 1va6 s ASN 289 Ca -0.08 -0.97 0.05 0.00 -0.94 0.00 0.00 52.86 50.92 1va6 s ASN 289 Cb 0.06 0.78 0.67 0.00 -2.00 0.00 0.00 41.25 40.76 1va6 s ASN 289 CO 0.92 -1.51 1.90 -1.54 -2.94 0.00 0.00 177.10 173.93 1va6 n SER 290 N -1.01 3.83 -4.99 3.54 3.41 -1.26 -4.89 113.62 112.25 1va6 n SER 290 Ca -0.06 -3.58 -0.19 0.00 -0.26 0.00 0.00 58.87 54.78 1va6 n SER 290 Cb 0.60 -0.83 0.01 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.30 5.71 0.19 4.04 0.01 -1.26 -2.39 114.94 119.94 1va6 s ASN 291 Ca 0.57 -0.15 -0.08 0.00 -0.71 0.00 0.00 52.86 52.48 1va6 s ASN 291 Cb 0.47 -1.03 0.10 0.00 0.41 0.00 0.00 41.25 41.21 1va6 s ASN 291 CO 0.11 -0.73 1.68 0.58 -1.51 0.00 0.00 177.10 177.24 1va6 h VAL 292 N 0.56 1.26 -3.17 1.60 2.07 -1.53 -3.37 116.25 113.67 1va6 h VAL 292 Ca -0.43 -1.06 -0.67 0.00 0.82 0.00 0.00 66.70 65.36 1va6 h VAL 292 Cb 1.27 0.65 -0.33 0.00 -1.52 0.00 0.00 31.29 31.36 1va6 h VAL 292 CO 0.51 0.40 -0.84 -0.76 0.02 0.00 0.00 177.57 176.90 1va6 s LEU 293 N -9.44 2.27 0.11 2.57 1.43 -1.16 -4.97 118.68 109.48 1va6 s LEU 293 Ca -0.12 -0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 52.14 1va6 s LEU 293 Cb 0.14 -1.51 -0.10 0.00 0.03 0.00 0.00 46.19 44.75 1va6 s LEU 293 CO 0.85 0.04 1.66 1.56 0.23 0.00 0.00 176.35 180.69 1va6 h GLN 294 N 7.67 -0.39 -4.70 1.70 4.20 -1.88 -3.38 115.11 118.32 1va6 h GLN 294 Ca -0.39 0.03 -0.37 0.00 0.06 0.00 0.00 58.65 57.97 1va6 h GLN 294 Cb 1.17 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.90 1va6 h GLN 294 CO 0.60 -0.26 -0.49 0.96 -0.67 0.00 0.00 178.83 178.97 1va6 s ILE 295 N -6.10 0.00 0.32 2.54 -4.36 -1.26 -4.87 121.20 107.46 1va6 s ILE 295 Ca -0.15 -1.94 0.06 0.00 -0.26 0.00 0.00 60.65 58.35 1va6 s ILE 295 Cb 0.07 -2.51 0.31 0.00 1.25 0.00 0.00 42.46 41.58 1va6 s ILE 295 CO 0.65 0.00 1.82 -0.33 0.24 0.00 0.00 174.94 177.32 1va6 h GLU 296 N 2.28 0.78 -0.33 0.37 3.07 -1.92 -1.81 114.58 117.01 1va6 h GLU 296 Ca -0.29 -0.05 0.10 0.00 -0.50 0.00 0.00 59.36 58.62 1va6 h GLU 296 Cb 1.24 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1va6 h GLU 296 CO 0.42 0.52 0.41 -0.91 -1.40 0.00 0.00 179.01 178.04 1va6 h ASN 297 N 0.80 0.00 0.37 1.42 4.21 -2.00 -0.86 115.58 119.53 1va6 h ASN 297 Ca 0.52 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.03 1va6 h ASN 297 Cb 0.75 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 1va6 h ASN 297 CO -0.29 0.00 -0.03 1.21 -1.29 0.00 0.00 177.43 177.02 1va6 n GLU 298 N -3.60 0.66 -2.08 0.81 2.13 -0.68 -4.74 120.64 113.13 1va6 n GLU 298 Ca 0.06 -0.10 -0.41 0.00 0.66 0.00 0.00 57.16 57.37 1va6 n GLU 298 Cb 0.56 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.75 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 -2.41 3.43 -0.69 4.31 2.96 -0.33 -4.86 118.68 121.08 1va6 s LEU 299 Ca 0.33 0.81 -0.03 0.00 -0.22 0.00 0.00 54.13 55.01 1va6 s LEU 299 Cb 0.21 -3.10 0.18 0.00 0.50 0.00 0.00 46.19 43.98 1va6 s LEU 299 CO 0.44 -1.94 2.43 -1.22 -1.32 0.00 0.00 176.35 174.74 1va6 n TYR 300 N 11.05 2.23 -1.77 5.38 4.01 -1.26 -4.96 117.16 131.83 1va6 n TYR 300 Ca 0.21 -2.17 -0.30 0.00 -0.16 0.00 0.00 57.90 55.47 1va6 n TYR 300 Cb 0.49 -1.33 0.05 0.00 -0.31 0.00 0.00 39.34 38.24 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 -2.67 2.76 -0.89 -0.72 0.00 -1.26 -4.61 121.76 114.37 1va6 s ALA 301 Ca 0.55 -0.22 0.27 0.00 0.00 0.00 0.00 51.96 52.56 1va6 s ALA 301 Cb 0.38 -3.07 1.05 0.00 0.00 0.00 0.00 23.12 21.48 1va6 s ALA 301 CO -0.28 -1.20 1.84 -0.35 0.00 0.00 0.00 175.76 175.77 1va6 n PRO 302 N -3.07 0.09 -3.70 0.00 -0.04 -1.26 -4.80 135.00 122.22 1va6 n PRO 302 Ca 0.07 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1va6 n PRO 302 Cb 0.56 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 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 -3.05 -0.00 -0.02 0.52 2.07 -1.26 -0.91 121.20 118.55 1va6 s ILE 303 Ca 0.12 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 1va6 s ILE 303 Cb 0.16 -0.72 0.01 0.00 0.13 0.00 0.00 42.46 42.04 1va6 s ILE 303 CO 0.53 0.00 -0.05 -0.13 -1.91 0.00 0.00 174.94 173.38 1va6 s ARG 304 N 0.35 0.58 0.35 3.50 0.52 -0.59 -4.97 118.95 118.68 1va6 s ARG 304 Ca -0.01 -0.14 -0.27 0.00 -0.52 0.00 0.00 55.73 54.80 1va6 s ARG 304 Cb -0.04 -0.59 -0.09 0.00 0.52 0.00 0.00 34.95 34.75 1va6 s ARG 304 CO -0.00 0.02 1.15 -1.25 0.02 0.00 0.00 175.30 175.24 1va6 s PRO 305 N 0.37 4.32 0.13 3.54 0.04 -1.26 -1.47 135.00 140.67 1va6 s PRO 305 Ca -0.04 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.75 1va6 s PRO 305 Cb -0.08 -2.90 -0.00 0.00 0.04 0.00 0.00 34.50 31.56 1va6 s PRO 305 CO -0.00 -0.09 0.24 0.15 0.04 0.00 0.00 177.00 177.34 1va6 s LYS 306 N -1.95 1.01 -0.15 4.56 1.02 -0.35 -4.94 119.74 118.93 1va6 s LYS 306 Ca 0.51 -1.07 -0.09 0.00 0.02 0.00 0.00 55.97 55.35 1va6 s LYS 306 Cb -0.31 0.36 0.05 0.00 -0.52 0.00 0.00 37.83 37.41 1va6 s LYS 306 CO 0.40 -0.35 0.38 0.50 -0.92 0.00 0.00 175.35 175.36 1va6 s ARG 307 N -3.92 0.37 -0.15 1.68 3.52 -1.26 -0.79 118.95 118.41 1va6 s ARG 307 Ca 0.11 0.70 -0.34 0.00 -0.13 0.00 0.00 55.73 56.06 1va6 s ARG 307 Cb 0.04 0.00 -0.12 0.00 -1.56 0.00 0.00 34.95 33.32 1va6 s ARG 307 CO -0.05 -0.14 1.93 0.28 -0.81 0.00 0.00 175.30 176.51 1va6 n VAL 308 N 4.00 0.50 -2.42 7.11 0.31 -1.26 -4.81 118.33 121.76 1va6 n VAL 308 Ca -0.22 -0.14 -0.33 0.00 -0.01 0.00 0.00 64.34 63.64 1va6 n VAL 308 Cb 0.55 -1.84 -0.03 0.00 -0.91 0.00 0.00 33.84 31.61 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 4.74 4.14 0.84 2.52 -4.23 -1.26 -5.03 115.64 117.36 1va6 s THR 309 Ca 0.96 1.15 -0.13 0.00 -1.18 0.00 0.00 61.69 62.50 1va6 s THR 309 Cb -0.72 -3.54 0.10 0.00 1.34 0.00 0.00 72.50 69.68 1va6 s THR 309 CO 0.52 -0.46 1.19 -0.13 -0.54 0.00 0.00 174.62 175.19 1va6 s ARG 310 N -3.70 1.68 0.27 3.99 0.52 -1.26 -4.99 118.95 115.46 1va6 s ARG 310 Ca 0.63 0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 55.62 1va6 s ARG 310 Cb -0.13 -1.92 -0.10 0.00 0.52 0.00 0.00 34.95 33.32 1va6 s ARG 310 CO 0.26 -1.79 1.45 0.45 0.02 0.00 0.00 175.30 175.70 1va6 s SER 311 N -4.53 6.60 0.00 0.23 0.15 -1.26 -2.05 113.70 112.83 1va6 s SER 311 Ca 0.64 2.74 0.00 0.00 0.70 0.00 0.00 55.95 60.03 1va6 s SER 311 Cb -0.11 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1va6 s SER 311 CO 0.50 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1va6 n GLY 312 N 1.92 2.20 3.74 9.45 0.00 -1.26 -4.97 105.19 116.27 1va6 n GLY 312 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 4.35 0.62 1.61 2.12 -0.87 -5.03 118.70 121.51 1va6 s GLU 313 Ca 0.00 2.12 -0.11 0.00 0.36 0.00 0.00 54.97 57.34 1va6 s GLU 313 Cb 0.00 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 1va6 s GLU 313 CO 0.00 -0.30 1.03 -1.54 -0.54 0.00 0.00 175.26 173.91 1va6 s SER 314 N 0.34 6.19 0.25 -1.70 1.04 -1.26 -4.67 113.70 113.89 1va6 s SER 314 Ca 0.57 1.40 -0.05 0.00 0.48 0.00 0.00 55.95 58.36 1va6 s SER 314 Cb -0.38 -2.44 0.34 0.00 0.10 0.00 0.00 66.02 63.64 1va6 s SER 314 CO 0.40 -0.89 1.87 -0.65 0.98 0.00 0.00 173.24 174.95 1va6 h PRO 315 N -0.33 1.05 -0.13 4.02 0.11 -1.96 -2.13 132.00 132.63 1va6 h PRO 315 Ca -0.44 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.43 1va6 h PRO 315 Cb 1.19 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1va6 h PRO 315 CO 0.62 0.69 -0.64 0.66 -0.21 0.00 0.00 178.00 179.12 1va6 h SER 316 N 1.08 0.57 -0.08 -2.05 4.64 -1.96 -2.68 113.55 113.07 1va6 h SER 316 Ca 0.39 -0.34 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 1va6 h SER 316 Cb 0.13 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1va6 h SER 316 CO -0.16 1.06 -0.25 0.44 -0.87 0.00 0.00 176.83 177.05 1va6 h ASP 317 N 0.36 0.52 -0.49 4.97 3.32 -1.88 -2.76 116.42 120.46 1va6 h ASP 317 Ca -0.01 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1va6 h ASP 317 Cb 1.20 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1va6 h ASP 317 CO 0.12 0.76 0.31 0.00 -1.72 0.00 0.00 179.24 178.70 1va6 h ALA 318 N 1.28 0.62 -0.71 3.45 0.00 -1.20 -0.57 119.26 122.13 1va6 h ALA 318 Ca 0.07 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1va6 h ALA 318 Cb 0.68 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1va6 h ALA 318 CO 0.05 0.09 0.41 -0.07 0.00 0.00 0.00 179.25 179.73 1va6 h LEU 319 N 0.66 0.61 -0.52 0.00 3.38 -1.25 -1.61 115.31 116.58 1va6 h LEU 319 Ca 0.18 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1va6 h LEU 319 Cb -0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1va6 h LEU 319 CO -0.04 0.39 0.26 -0.07 0.09 0.00 0.00 178.44 179.08 1va6 h LEU 320 N 0.75 0.68 -0.70 1.67 3.38 -1.21 0.15 115.31 120.03 1va6 h LEU 320 Ca 0.32 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1va6 h LEU 320 Cb 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1va6 h LEU 320 CO -0.18 0.61 0.25 -0.09 0.09 0.00 0.00 178.44 179.12 1va6 h ARG 321 N 0.70 1.06 0.00 1.13 2.43 -0.56 -3.37 114.38 115.76 1va6 h ARG 321 Ca 0.18 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1va6 h ARG 321 Cb 0.10 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1va6 h ARG 321 CO -0.02 0.89 0.00 0.41 -1.51 0.00 0.00 179.97 179.74 1va6 n GLY 322 N -0.80 -0.06 0.91 2.80 0.00 -0.65 -5.11 105.19 102.28 1va6 n GLY 322 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.01 -2.18 3.68 -0.02 0.00 0.53 -4.79 105.19 102.40 1va6 n GLY 323 Ca 0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.09 3.66 -0.22 -0.61 1.01 -1.26 -4.61 121.20 118.08 1va6 s ILE 324 Ca 0.00 1.00 -0.17 0.00 0.00 0.00 0.00 60.65 61.48 1va6 s ILE 324 Cb 0.00 -3.64 -0.18 0.00 0.01 0.00 0.00 42.46 38.65 1va6 s ILE 324 CO 0.00 -0.03 0.04 1.21 0.00 0.00 0.00 174.94 176.16 1va6 n GLU 325 N 5.82 0.59 -3.92 2.79 2.13 0.03 -4.60 120.64 123.49 1va6 n GLU 325 Ca 0.14 0.44 -0.10 0.00 0.66 0.00 0.00 57.16 58.31 1va6 n GLU 325 Cb 0.43 -1.66 -0.06 0.00 0.27 0.00 0.00 31.44 30.42 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 -2.43 0.28 0.09 4.31 1.13 -1.04 -4.79 117.35 114.90 1va6 s TYR 326 Ca -0.32 -0.64 0.08 0.00 -1.41 0.00 0.00 57.07 54.78 1va6 s TYR 326 Cb 0.09 0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 1va6 s TYR 326 CO 0.58 -0.78 -0.16 0.96 -2.51 0.00 0.00 175.55 173.63 1va6 s ILE 327 N -3.95 2.95 -0.33 -3.49 -5.25 -0.66 -1.21 121.20 109.26 1va6 s ILE 327 Ca 0.16 -1.36 -0.00 0.00 -0.99 0.00 0.00 60.65 58.46 1va6 s ILE 327 Cb 0.02 -2.33 0.08 0.00 2.95 0.00 0.00 42.46 43.18 1va6 s ILE 327 CO 0.00 0.17 0.05 -0.70 -1.79 0.00 0.00 174.94 172.68 1va6 s GLU 328 N -1.95 2.11 -0.15 0.37 2.12 -0.54 -1.54 118.70 119.12 1va6 s GLU 328 Ca 0.18 -1.54 -0.26 0.00 0.36 0.00 0.00 54.97 53.70 1va6 s GLU 328 Cb -0.11 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 1va6 s GLU 328 CO 0.09 -0.80 0.87 0.08 -0.54 0.00 0.00 175.26 174.97 1va6 s VAL 329 N 1.14 4.86 -0.53 3.70 1.01 -0.41 -1.55 120.40 128.61 1va6 s VAL 329 Ca 0.01 1.72 0.05 0.00 0.00 0.00 0.00 61.98 63.76 1va6 s VAL 329 Cb -0.20 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.05 1va6 s VAL 329 CO -0.04 0.02 0.73 0.54 0.00 0.00 0.00 175.10 176.35 1va6 n ARG 330 N 5.17 0.25 -0.02 2.72 1.74 -0.09 -1.28 116.66 125.15 1va6 n ARG 330 Ca 0.05 -0.95 0.13 0.00 -0.77 0.00 0.00 57.85 56.31 1va6 n ARG 330 Cb 0.49 -1.09 0.33 0.00 -1.02 0.00 0.00 32.46 31.16 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 0.19 2.22 -4.68 0.55 3.41 -1.24 -4.83 113.62 109.25 1va6 n SER 331 Ca 0.03 -1.74 -0.42 0.00 -0.26 0.00 0.00 58.87 56.47 1va6 n SER 331 Cb 0.15 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.93 4.28 0.67 1.04 1.43 -1.24 -4.77 118.68 118.16 1va6 s LEU 332 Ca 0.34 1.93 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 1va6 s LEU 332 Cb 0.20 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 1va6 s LEU 332 CO 0.31 -0.69 1.05 -1.81 0.23 0.00 0.00 176.35 175.45 1va6 s ASP 333 N 1.84 5.57 0.13 2.29 1.11 -1.26 -1.55 116.67 124.80 1va6 s ASP 333 Ca 0.60 1.63 -0.32 0.00 0.18 0.00 0.00 52.55 54.63 1va6 s ASP 333 Cb -0.27 -2.50 -0.12 0.00 1.07 0.00 0.00 42.92 41.10 1va6 s ASP 333 CO 0.23 -1.31 1.75 -0.38 1.18 0.00 0.00 175.17 176.63 1va6 n ILE 334 N -2.86 0.21 -2.57 0.77 2.08 -1.26 -4.54 119.36 111.19 1va6 n ILE 334 Ca 0.08 -0.04 -0.42 0.00 0.56 0.00 0.00 62.75 62.93 1va6 n ILE 334 Cb 0.53 -1.90 -0.02 0.00 -0.75 0.00 0.00 39.64 37.50 1va6 n ILE 334 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1va6 s ASN 335 N 2.04 6.39 0.00 4.38 3.84 -0.16 -4.63 114.94 126.80 1va6 s ASN 335 Ca 0.81 0.03 0.19 0.00 0.21 0.00 0.00 52.86 54.10 1va6 s ASN 335 Cb -0.57 -2.55 0.82 0.00 -0.55 0.00 0.00 41.25 38.40 1va6 s ASN 335 CO 0.38 -1.55 1.60 -0.81 -2.79 0.00 0.00 177.10 173.94 1va6 n PRO 336 N 8.60 0.03 -0.25 0.43 -0.04 -1.26 -2.48 135.00 140.03 1va6 n PRO 336 Ca 0.08 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 1va6 n PRO 336 Cb 0.49 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.48 0.65 -4.82 0.54 3.72 -1.26 -4.84 117.46 109.98 1va6 n PHE 337 Ca 0.05 -0.33 -0.25 0.00 -0.05 0.00 0.00 57.45 56.87 1va6 n PHE 337 Cb 0.21 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.60 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 -1.29 2.09 0.54 4.37 0.15 -1.03 -5.02 113.70 113.50 1va6 s SER 338 Ca 0.41 -0.34 0.35 0.00 0.70 0.00 0.00 55.95 57.08 1va6 s SER 338 Cb 0.23 -0.49 1.59 0.00 -1.71 0.00 0.00 66.02 65.64 1va6 s SER 338 CO 0.31 0.17 2.04 1.55 1.20 0.00 0.00 173.24 178.51 1va6 h PRO 339 N 6.11 0.00 -0.40 5.44 0.13 -1.88 -1.95 132.00 139.45 1va6 h PRO 339 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1va6 h PRO 339 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1va6 h PRO 339 CO 0.48 0.00 0.00 0.44 -0.23 0.00 0.00 178.00 178.69 1va6 n ILE 340 N -2.98 0.66 -0.95 -3.56 -5.35 -1.26 -4.96 119.36 100.96 1va6 n ILE 340 Ca -0.00 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 1va6 n ILE 340 Cb 0.23 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 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 1.16 0.74 3.55 3.28 0.00 -0.73 -4.96 105.19 108.22 1va6 n GLY 341 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.91 0.00 0.25 1.61 0.11 -1.26 -0.98 120.40 117.21 1va6 s VAL 342 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1va6 s VAL 342 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1va6 s VAL 342 CO 0.00 0.00 0.11 1.51 -3.33 0.00 0.00 175.10 173.39 1va6 s ASP 343 N -1.10 0.95 0.31 3.54 1.47 -1.26 -4.93 116.67 115.64 1va6 s ASP 343 Ca -0.07 -1.39 0.00 0.00 1.18 0.00 0.00 52.55 52.27 1va6 s ASP 343 Cb -0.00 0.22 0.50 0.00 -0.34 0.00 0.00 42.92 43.29 1va6 s ASP 343 CO 0.06 -0.76 1.90 -0.08 0.68 0.00 0.00 175.17 176.97 1va6 h GLU 344 N 2.44 0.81 -0.69 2.11 4.81 -1.99 -1.95 114.58 120.12 1va6 h GLU 344 Ca -0.38 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1va6 h GLU 344 Cb 1.25 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1va6 h GLU 344 CO 0.59 0.66 0.40 0.37 -0.73 0.00 0.00 179.01 180.30 1va6 h GLN 345 N 0.81 0.94 -0.18 1.92 4.15 -1.99 -0.76 115.11 119.99 1va6 h GLN 345 Ca 0.19 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1va6 h GLN 345 Cb 0.15 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1va6 h GLN 345 CO -0.02 0.67 -0.04 1.96 -1.93 0.00 0.00 178.83 179.47 1va6 h GLN 346 N 0.95 0.35 -0.42 1.69 4.20 -1.79 -2.38 115.11 117.72 1va6 h GLN 346 Ca 0.25 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1va6 h GLN 346 Cb -0.01 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1va6 h GLN 346 CO -0.04 0.62 0.13 0.28 -0.67 0.00 0.00 178.83 179.14 1va6 h VAL 347 N 0.06 1.22 -0.66 -0.54 2.07 -1.12 -1.55 116.25 115.74 1va6 h VAL 347 Ca 0.05 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1va6 h VAL 347 Cb 0.49 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1va6 h VAL 347 CO 0.02 0.26 0.39 0.03 0.02 0.00 0.00 177.57 178.29 1va6 h ARG 348 N 0.54 0.89 -0.28 1.57 3.08 -1.21 -1.89 114.38 117.10 1va6 h ARG 348 Ca 0.14 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1va6 h ARG 348 Cb 0.27 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1va6 h ARG 348 CO -0.00 0.64 0.14 0.35 -1.07 0.00 0.00 179.97 180.03 1va6 h PHE 349 N 0.89 0.26 -0.39 3.04 3.57 -1.13 -2.69 116.94 120.48 1va6 h PHE 349 Ca 0.23 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1va6 h PHE 349 Cb -0.02 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1va6 h PHE 349 CO -0.02 0.15 0.16 -0.07 -2.23 0.00 0.00 178.31 176.30 1va6 h LEU 350 N 0.29 0.50 -0.06 0.59 3.38 -0.95 -0.60 115.31 118.46 1va6 h LEU 350 Ca 0.11 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1va6 h LEU 350 Cb 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1va6 h LEU 350 CO -0.08 0.46 -0.13 0.44 0.09 0.00 0.00 178.44 179.22 1va6 h ASP 351 N 0.56 -0.40 -0.46 -0.43 5.19 -1.10 0.67 116.42 120.44 1va6 h ASP 351 Ca 0.14 0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 1va6 h ASP 351 Cb 0.11 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 1va6 h ASP 351 CO -0.01 -0.18 0.15 -0.07 -3.12 0.00 0.00 179.24 176.00 1va6 h LEU 352 N -0.20 0.67 -0.46 1.55 3.38 -1.02 -1.18 115.31 118.05 1va6 h LEU 352 Ca 0.07 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1va6 h LEU 352 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1va6 h LEU 352 CO -0.17 0.69 -0.17 0.15 0.09 0.00 0.00 178.44 179.03 1va6 h PHE 353 N 0.61 1.05 -0.28 1.13 3.57 -1.02 -1.45 116.94 120.55 1va6 h PHE 353 Ca 0.15 -0.25 -0.15 0.00 3.53 0.00 0.00 57.97 61.26 1va6 h PHE 353 Cb 0.26 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1va6 h PHE 353 CO 0.01 1.04 -0.42 0.52 -2.23 0.00 0.00 178.31 177.23 1va6 h MET 354 N 0.77 0.69 -0.61 1.11 2.86 -0.77 0.74 114.93 119.72 1va6 h MET 354 Ca 0.11 -0.37 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1va6 h MET 354 Cb 0.73 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1va6 h MET 354 CO 0.06 0.98 0.24 0.28 1.06 0.00 0.00 176.91 179.53 1va6 h VAL 355 N 0.56 1.23 -0.58 -2.22 2.07 -1.15 -2.06 116.25 114.10 1va6 h VAL 355 Ca 0.04 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 1va6 h VAL 355 Cb 0.96 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1va6 h VAL 355 CO 0.09 0.28 0.08 -0.25 0.02 0.00 0.00 177.57 177.79 1va6 h TRP 356 N 0.85 1.04 -0.05 1.57 7.01 -0.97 -2.08 115.95 123.33 1va6 h TRP 356 Ca 0.20 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1va6 h TRP 356 Cb 0.21 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1va6 h TRP 356 CO 0.01 0.91 0.04 0.00 -2.79 0.00 0.00 178.44 176.61 1va6 h ALA 358 N 1.96 0.37 0.03 0.00 0.00 -0.73 -3.34 119.26 117.55 1va6 h ALA 358 Ca 0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 1va6 h ALA 358 Cb 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1va6 h ALA 358 CO -0.00 0.87 -0.51 -0.07 0.00 0.00 0.00 179.25 179.54 1va6 h LEU 359 N 0.17 0.39 -9.55 0.00 3.38 -0.66 -3.46 115.31 105.57 1va6 h LEU 359 Ca -0.08 -0.83 -0.52 0.00 0.09 0.00 0.00 57.88 56.54 1va6 h LEU 359 Cb 1.62 -0.12 0.05 0.00 0.09 0.00 0.00 40.66 42.29 1va6 h LEU 359 CO 0.16 1.18 1.09 0.00 0.09 0.00 0.00 178.44 180.96 1va6 n ALA 360 N -2.59 2.43 -1.58 1.53 0.00 -0.20 -4.85 120.51 115.23 1va6 n ALA 360 Ca -0.11 0.33 -0.46 0.00 0.00 0.00 0.00 53.44 53.21 1va6 n ALA 360 Cb 0.65 -2.58 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 1va6 n ALA 360 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1va6 n ASP 361 N 5.23 1.29 -3.49 0.00 8.00 -1.26 -4.96 116.55 121.35 1va6 n ASP 361 Ca 0.17 1.17 -0.25 0.00 0.71 0.00 0.00 54.79 56.59 1va6 n ASP 361 Cb 0.37 -1.26 -0.13 0.00 -0.02 0.00 0.00 41.12 40.07 1va6 n ASP 361 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1va6 s ALA 362 N -0.76 0.28 0.48 2.24 0.00 -1.26 -5.01 121.76 117.73 1va6 s ALA 362 Ca 0.63 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 51.51 1va6 s ALA 362 Cb -0.75 -1.52 -0.08 0.00 0.00 0.00 0.00 23.12 20.76 1va6 s ALA 362 CO 0.57 -1.68 1.05 -2.30 0.00 0.00 0.00 175.76 173.41 1va6 n PRO 363 N 5.26 1.34 -1.26 0.00 -0.02 -1.26 -4.90 135.00 134.15 1va6 n PRO 363 Ca -0.05 0.49 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 1va6 n PRO 363 Cb 0.43 -2.16 0.09 0.00 -0.02 0.00 0.00 33.50 31.84 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 -0.25 0.35 -3.81 -0.52 1.02 -1.26 -4.99 120.64 111.18 1va6 n GLU 364 Ca 0.10 0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1va6 n GLU 364 Cb 0.42 -2.09 -0.15 0.00 -0.02 0.00 0.00 31.44 29.61 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 -3.24 0.02 1.06 3.49 -1.94 -1.26 -5.14 119.30 112.30 1va6 s MET 365 Ca 0.70 0.14 -0.13 0.00 -1.71 0.00 0.00 55.69 54.69 1va6 s MET 365 Cb -0.33 -0.09 0.22 0.00 2.01 0.00 0.00 34.83 36.64 1va6 s MET 365 CO 0.54 -0.08 1.08 -1.54 -0.01 0.00 0.00 175.02 175.01 1va6 s SER 366 N 0.52 2.06 0.26 3.03 1.04 -1.26 -4.56 113.70 114.78 1va6 s SER 366 Ca -0.04 1.19 -0.03 0.00 0.48 0.00 0.00 55.95 57.55 1va6 s SER 366 Cb -0.06 -1.86 0.32 0.00 0.10 0.00 0.00 66.02 64.51 1va6 s SER 366 CO -0.02 -3.49 1.79 -1.28 0.98 0.00 0.00 173.24 171.23 1va6 h SER 367 N -2.14 0.86 0.67 7.02 0.87 -1.89 -2.47 113.55 116.48 1va6 h SER 367 Ca -0.56 -0.17 -0.27 0.00 -1.23 0.00 0.00 61.79 59.57 1va6 h SER 367 Cb 1.33 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1va6 h SER 367 CO 0.55 0.84 -1.28 0.77 -0.53 0.00 0.00 176.83 177.19 1va6 h SER 368 N 0.87 0.29 -0.58 6.23 4.64 -1.96 -2.11 113.55 120.93 1va6 h SER 368 Ca 0.19 -0.34 0.08 0.00 -0.47 0.00 0.00 61.79 61.25 1va6 h SER 368 Cb 0.33 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1va6 h SER 368 CO 0.00 1.27 0.39 -0.33 -0.87 0.00 0.00 176.83 177.29 1va6 h GLU 369 N 0.05 0.45 -0.13 4.77 5.08 -1.93 0.13 114.58 123.00 1va6 h GLU 369 Ca -0.14 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 1va6 h GLU 369 Cb 1.93 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1va6 h GLU 369 CO 0.17 0.30 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.94 1va6 h LEU 370 N 0.47 0.64 -2.30 1.33 3.38 -1.41 -2.92 115.31 114.50 1va6 h LEU 370 Ca 0.26 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.65 1va6 h LEU 370 Cb 0.42 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1va6 h LEU 370 CO -0.07 1.14 0.09 0.00 0.09 0.00 0.00 178.44 179.69 1va6 h ALA 371 N 0.51 1.73 0.00 1.53 0.00 -0.59 -2.24 119.26 120.21 1va6 h ALA 371 Ca -0.02 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1va6 h ALA 371 Cb 1.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1va6 h ALA 371 CO 0.10 -0.14 -0.99 0.00 0.00 0.00 0.00 179.25 178.22 1va6 h THR 373 N 0.00 0.24 0.00 0.00 1.35 -1.30 -1.67 112.91 111.53 1va6 h THR 373 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1va6 h THR 373 Cb 1.75 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1va6 h THR 373 CO 0.12 0.00 0.00 -0.09 -0.25 0.00 0.00 175.52 175.30 1va6 h ARG 374 N 0.00 0.00 0.05 4.72 2.43 -1.69 -3.21 114.38 116.68 1va6 h ARG 374 Ca 0.11 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1va6 h ARG 374 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1va6 h ARG 374 CO -0.00 0.00 -0.02 0.28 -1.51 0.00 0.00 179.97 178.72 1va6 h VAL 375 N 0.00 1.13 -0.35 0.20 2.07 -1.55 -0.22 116.25 117.53 1va6 h VAL 375 Ca 0.00 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.01 1va6 h VAL 375 Cb 0.33 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1va6 h VAL 375 CO 0.00 0.14 0.04 0.78 0.02 0.00 0.00 177.57 178.55 1va6 h ASN 376 N -0.31 -0.06 -0.14 0.57 2.35 -1.78 -1.04 115.58 115.18 1va6 h ASN 376 Ca -0.01 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1va6 h ASN 376 Cb 0.28 0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.70 1va6 h ASN 376 CO 0.01 0.00 -0.30 -0.50 -1.65 0.00 0.00 177.43 175.00 1va6 h TRP 377 N 0.14 -0.82 -0.98 1.19 4.06 -1.58 -1.94 115.95 116.03 1va6 h TRP 377 Ca 0.17 0.04 0.09 0.00 2.06 0.00 0.00 58.89 61.24 1va6 h TRP 377 Cb 0.21 0.38 -0.07 0.00 -1.00 0.00 0.00 29.16 28.68 1va6 h TRP 377 CO -0.21 -0.38 0.62 -0.91 -3.56 0.00 0.00 178.44 173.99 1va6 h ASN 378 N -0.37 0.94 -0.75 -3.49 2.35 -0.59 0.43 115.58 114.10 1va6 h ASN 378 Ca 0.10 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1va6 h ASN 378 Cb 0.52 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 1va6 h ASN 378 CO -0.34 0.55 0.48 0.03 -1.65 0.00 0.00 177.43 176.50 1va6 h ARG 379 N 1.05 0.91 0.01 0.81 3.08 -0.88 -0.00 114.38 119.35 1va6 h ARG 379 Ca 0.45 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 60.24 1va6 h ARG 379 Cb 0.32 -0.20 0.02 0.00 0.08 0.00 0.00 29.97 30.19 1va6 h ARG 379 CO -0.22 0.60 -0.82 0.28 -1.07 0.00 0.00 179.97 178.74 1va6 h VAL 380 N 0.93 1.36 -0.06 2.04 2.07 -0.41 0.30 116.25 122.49 1va6 h VAL 380 Ca 0.30 -2.18 0.01 0.00 0.82 0.00 0.00 66.70 65.64 1va6 h VAL 380 Cb 0.00 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1va6 h VAL 380 CO -0.11 0.65 0.01 0.40 0.02 0.00 0.00 177.57 178.55 1va6 h ILE 381 N 0.11 0.97 0.00 4.57 2.04 -0.12 -0.11 117.51 124.98 1va6 h ILE 381 Ca -0.11 -0.01 -0.26 0.00 1.00 0.00 0.00 64.86 65.48 1va6 h ILE 381 Cb 1.51 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 1va6 h ILE 381 CO 0.16 0.01 -1.55 -0.07 0.00 0.00 0.00 178.15 176.69 1va6 h LEU 382 N 0.04 0.00 -2.49 1.44 3.38 -1.04 -1.92 115.31 114.71 1va6 h LEU 382 Ca 0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1va6 h LEU 382 Cb 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.55 1va6 h LEU 382 CO -0.04 0.94 -0.54 -1.84 0.09 0.00 0.00 178.44 177.06 1va6 n GLU 383 N -3.07 0.08 0.30 1.13 0.28 -0.02 -3.50 120.64 115.85 1va6 n GLU 383 Ca -0.13 -1.37 0.16 0.00 -0.16 0.00 0.00 57.16 55.66 1va6 n GLU 383 Cb 1.01 0.30 0.96 0.00 1.43 0.00 0.00 31.44 35.13 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 0.40 0.00 -2.13 -1.84 0.00 0.18 -1.28 103.07 98.40 1va6 h GLY 384 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1va6 h GLY 384 CO -0.15 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.93 1va6 n ARG 385 N -3.65 2.52 -2.34 4.80 1.74 -0.32 -4.94 116.66 114.46 1va6 n ARG 385 Ca -0.03 -1.99 -0.42 0.00 -0.77 0.00 0.00 57.85 54.63 1va6 n ARG 385 Cb 0.10 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.45 4.31 0.13 5.56 2.20 -0.49 -4.93 119.74 125.07 1va6 s LYS 386 Ca 0.37 1.81 -0.35 0.00 -0.36 0.00 0.00 55.97 57.44 1va6 s LYS 386 Cb 0.21 -3.59 -0.16 0.00 -1.51 0.00 0.00 37.83 32.77 1va6 s LYS 386 CO 0.22 -0.54 1.31 -2.30 -0.36 0.00 0.00 175.35 173.69 1va6 n PRO 387 N 5.45 1.33 -1.34 4.03 -0.02 -1.26 -1.71 135.00 141.48 1va6 n PRO 387 Ca 0.12 0.48 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1va6 n PRO 387 Cb 0.45 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.43 1.27 3.76 -1.23 0.00 -1.26 -4.99 105.19 105.18 1va6 n GLY 388 Ca 0.17 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.70 4.35 0.18 0.99 2.96 -0.69 -4.93 118.68 118.84 1va6 s LEU 389 Ca 0.00 2.90 0.09 0.00 -0.22 0.00 0.00 54.13 56.90 1va6 s LEU 389 Cb 0.00 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1va6 s LEU 389 CO 0.00 -0.80 -0.13 0.42 -1.32 0.00 0.00 176.35 174.51 1va6 s THR 390 N -0.57 2.98 0.25 3.68 -4.23 -1.26 -1.98 115.64 114.50 1va6 s THR 390 Ca 0.57 -1.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.45 1va6 s THR 390 Cb -0.45 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.88 1va6 s THR 390 CO 0.53 -0.09 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.59 1va6 s LEU 391 N -2.73 2.58 0.00 4.79 1.43 0.28 -4.84 118.68 120.18 1va6 s LEU 391 Ca 0.23 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1va6 s LEU 391 Cb -0.09 -0.91 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 1va6 s LEU 391 CO 0.14 -0.06 0.07 0.61 0.23 0.00 0.00 176.35 177.34 1va6 n GLY 392 N -0.52 3.46 3.58 -3.19 0.00 -1.26 -0.52 105.19 106.73 1va6 n GLY 392 Ca -0.06 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.34 1va6 n GLY 392 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1va6 s ILE 393 N -2.81 5.11 0.00 -0.61 1.01 -1.26 -4.93 121.20 117.71 1va6 s ILE 393 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.18 1va6 s ILE 393 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1va6 s ILE 393 CO 0.07 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1va6 n GLY 394 N 4.74 3.60 0.09 6.18 0.00 -1.26 -2.49 105.19 116.04 1va6 n GLY 394 Ca -0.07 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.36 -1.31 -2.69 0.00 1.02 -1.04 -4.90 120.64 109.37 1va6 n GLU 396 Ca 0.02 -0.39 -0.41 0.00 -0.02 0.00 0.00 57.16 56.37 1va6 n GLU 396 Cb 0.48 -1.28 -0.05 0.00 -0.02 0.00 0.00 31.44 30.57 1va6 n GLU 396 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1va6 s THR 397 N -2.05 4.13 0.03 2.62 2.01 -1.26 -4.79 115.64 116.33 1va6 s THR 397 Ca 0.25 1.97 -0.30 0.00 0.31 0.00 0.00 61.69 63.91 1va6 s THR 397 Cb -0.03 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 1va6 s THR 397 CO 0.27 0.40 1.22 0.00 -0.69 0.00 0.00 174.62 175.82 1va6 s ALA 398 N -0.66 3.44 0.00 7.40 0.00 -1.26 -4.73 121.76 125.95 1va6 s ALA 398 Ca 0.44 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1va6 s ALA 398 Cb -0.26 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1va6 s ALA 398 CO 0.33 -0.57 0.00 0.00 0.00 0.00 0.00 175.76 175.52 1va6 n GLN 399 N 4.39 2.48 -3.34 0.00 10.64 -1.10 -4.87 117.38 125.59 1va6 n GLN 399 Ca 0.10 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.86 1va6 n GLN 399 Cb 0.46 -0.24 -0.09 0.00 -0.86 0.00 0.00 30.24 29.51 1va6 n GLN 399 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1va6 s PHE 400 N -0.14 3.21 0.17 2.61 0.40 0.32 -4.89 117.98 119.66 1va6 s PHE 400 Ca 0.00 0.14 -0.32 0.00 -0.60 0.00 0.00 56.93 56.16 1va6 s PHE 400 Cb 0.00 -2.74 -0.10 0.00 0.51 0.00 0.00 43.02 40.68 1va6 s PHE 400 CO 0.00 -0.43 1.59 -2.14 0.70 0.00 0.00 175.22 174.94 1va6 s PRO 401 N 2.17 4.20 0.13 0.24 0.02 -1.26 0.99 135.00 141.49 1va6 s PRO 401 Ca 0.15 2.40 -0.20 0.00 0.02 0.00 0.00 61.00 63.36 1va6 s PRO 401 Cb -0.16 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 1va6 s PRO 401 CO 0.12 -0.63 1.70 1.25 -0.33 0.00 0.00 177.00 179.11 1va6 h LEU 402 N 6.80 -0.24 -1.46 -5.54 6.46 -1.75 -2.52 115.31 117.07 1va6 h LEU 402 Ca -0.43 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.43 1va6 h LEU 402 Cb 1.20 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 41.25 1va6 h LEU 402 CO 0.92 -0.09 0.39 -0.65 -0.62 0.00 0.00 178.44 178.39 1va6 h PRO 403 N -0.03 0.70 -0.17 5.25 0.11 -1.85 0.13 132.00 136.13 1va6 h PRO 403 Ca 0.10 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.99 1va6 h PRO 403 Cb 0.18 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.14 1va6 h PRO 403 CO -0.22 0.46 -0.57 1.96 -0.21 0.00 0.00 178.00 179.42 1va6 h GLN 404 N 0.72 0.70 0.41 1.05 7.50 -1.88 -1.68 115.11 121.93 1va6 h GLN 404 Ca 0.23 -0.52 -0.02 0.00 0.50 0.00 0.00 58.65 58.85 1va6 h GLN 404 Cb 0.05 0.09 -0.00 0.00 0.05 0.00 0.00 27.48 27.67 1va6 h GLN 404 CO -0.06 1.14 -0.23 0.28 -1.50 0.00 0.00 178.83 178.46 1va6 h VAL 405 N 0.39 0.53 -0.50 -0.54 2.07 -0.91 -1.70 116.25 115.60 1va6 h VAL 405 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1va6 h VAL 405 Cb 1.20 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 31.40 1va6 h VAL 405 CO 0.12 0.00 -0.21 1.23 0.02 0.00 0.00 177.57 178.74 1va6 h GLY 406 N -0.59 0.17 1.72 2.17 0.00 -0.78 -1.30 103.07 104.46 1va6 h GLY 406 Ca -0.05 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1va6 h GLY 406 CO 0.07 -0.21 0.01 0.50 0.00 0.00 0.00 176.54 176.90 1va6 h LYS 407 N -0.09 0.36 0.69 4.80 1.57 -1.23 -1.97 116.57 120.70 1va6 h LYS 407 Ca 0.23 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1va6 h LYS 407 Cb 0.46 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1va6 h LYS 407 CO -0.56 0.39 -0.33 0.22 -0.57 0.00 0.00 179.45 178.59 1va6 h ASP 408 N 0.36 -0.78 -0.89 0.86 1.82 -0.30 -1.87 116.42 115.61 1va6 h ASP 408 Ca 0.08 0.03 0.24 0.00 -0.39 0.00 0.00 57.03 56.99 1va6 h ASP 408 Cb 0.23 0.20 -0.15 0.00 0.68 0.00 0.00 39.33 40.29 1va6 h ASP 408 CO 0.00 -0.48 0.19 0.25 -1.61 0.00 0.00 179.24 177.59 1va6 h LEU 409 N -1.08 -0.10 -1.12 2.28 5.85 -1.24 -1.90 115.31 117.99 1va6 h LEU 409 Ca -0.09 0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1va6 h LEU 409 Cb 0.71 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1va6 h LEU 409 CO 0.16 -0.20 -0.24 -0.26 -0.34 0.00 0.00 178.44 177.56 1va6 h PHE 410 N 0.16 0.00 -0.32 1.25 -1.00 -1.16 -1.56 116.94 114.31 1va6 h PHE 410 Ca 0.56 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.25 1va6 h PHE 410 Cb 1.13 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.68 1va6 h PHE 410 CO -0.31 0.24 -0.17 0.00 -1.61 0.00 0.00 178.31 176.46 1va6 h ARG 411 N 0.00 0.57 0.38 1.51 3.08 -0.50 -0.55 114.38 118.87 1va6 h ARG 411 Ca -0.00 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1va6 h ARG 411 Cb 0.75 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1va6 h ARG 411 CO 0.03 0.71 -0.18 -0.44 -1.07 0.00 0.00 179.97 179.02 1va6 h ASP 412 N 0.51 -0.43 -1.00 7.04 3.32 -1.44 -3.15 116.42 121.26 1va6 h ASP 412 Ca 0.09 -0.12 0.30 0.00 0.02 0.00 0.00 57.03 57.32 1va6 h ASP 412 Cb 0.58 0.11 -0.14 0.00 0.22 0.00 0.00 39.33 40.10 1va6 h ASP 412 CO 0.04 -0.01 0.57 -0.07 -1.72 0.00 0.00 179.24 178.05 1va6 h LEU 413 N -0.98 0.54 -1.27 1.55 3.38 -1.21 0.65 115.31 117.97 1va6 h LEU 413 Ca -0.05 0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1va6 h LEU 413 Cb 0.53 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1va6 h LEU 413 CO 0.09 -0.08 -0.18 0.50 0.09 0.00 0.00 178.44 178.85 1va6 h LYS 414 N 0.38 0.27 -0.32 1.13 1.63 -1.14 0.41 116.57 118.93 1va6 h LYS 414 Ca 0.71 -0.07 -0.18 0.00 -0.85 0.00 0.00 60.65 60.26 1va6 h LYS 414 Cb 1.57 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 33.17 1va6 h LYS 414 CO -0.58 0.45 -0.49 0.00 -3.45 0.00 0.00 179.45 175.38 1va6 h ARG 415 N 0.25 0.89 -0.92 1.90 3.08 0.32 -0.02 114.38 119.88 1va6 h ARG 415 Ca 0.05 -0.54 0.02 0.00 0.07 0.00 0.00 59.98 59.58 1va6 h ARG 415 Cb 0.47 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1va6 h ARG 415 CO 0.03 1.18 0.61 0.28 -1.07 0.00 0.00 179.97 181.00 1va6 h VAL 416 N 0.69 1.21 -0.35 2.04 2.07 -0.90 -2.49 116.25 118.51 1va6 h VAL 416 Ca 0.03 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 1va6 h VAL 416 Cb 1.10 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1va6 h VAL 416 CO 0.11 0.22 -0.02 0.00 0.02 0.00 0.00 177.57 177.91 1va6 h ALA 417 N 1.44 0.48 -0.64 1.67 0.00 -0.66 -1.00 119.26 120.54 1va6 h ALA 417 Ca 0.35 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1va6 h ALA 417 Cb -0.08 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 1va6 h ALA 417 CO -0.09 0.26 0.26 1.96 0.00 0.00 0.00 179.25 181.64 1va6 h GLN 418 N 0.44 0.44 -0.25 0.00 4.20 -0.80 0.21 115.11 119.36 1va6 h GLN 418 Ca 0.10 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1va6 h GLN 418 Cb 0.48 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1va6 h GLN 418 CO 0.02 0.29 0.03 1.15 -0.67 0.00 0.00 178.83 179.65 1va6 h THR 419 N 0.46 1.24 -0.64 -0.54 2.02 -1.25 -1.70 112.91 112.49 1va6 h THR 419 Ca 0.32 -0.81 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 1va6 h THR 419 Cb 0.39 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1va6 h THR 419 CO -0.30 0.26 0.07 -0.07 0.37 0.00 0.00 175.52 175.84 1va6 h LEU 420 N 0.21 1.05 -0.90 2.58 3.38 -0.69 -2.69 115.31 118.25 1va6 h LEU 420 Ca 0.07 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1va6 h LEU 420 Cb 0.35 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1va6 h LEU 420 CO 0.01 1.07 -0.31 0.44 0.09 0.00 0.00 178.44 179.74 1va6 h ASP 421 N 1.01 0.46 0.11 -0.43 3.32 -0.49 -2.88 116.42 117.52 1va6 h ASP 421 Ca 0.19 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1va6 h ASP 421 Cb 0.49 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1va6 h ASP 421 CO 0.02 0.75 -0.35 0.77 -1.72 0.00 0.00 179.24 178.71 1va6 h SER 422 N 0.39 0.35 0.18 6.45 4.64 -0.98 -0.82 113.55 123.75 1va6 h SER 422 Ca 0.05 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1va6 h SER 422 Cb 0.73 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1va6 h SER 422 CO 0.06 0.68 -0.09 0.40 -0.87 0.00 0.00 176.83 177.01 1va6 h ILE 423 N 0.29 0.93 0.00 0.95 2.04 -1.42 -3.34 117.51 116.96 1va6 h ILE 423 Ca 0.03 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1va6 h ILE 423 Cb 0.76 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1va6 h ILE 423 CO 0.06 0.15 -0.50 0.59 0.00 0.00 0.00 178.15 178.44 1va6 n ASN 424 N -5.05 0.50 0.00 1.72 3.02 -1.10 -5.04 115.26 109.31 1va6 n ASN 424 Ca -0.09 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1va6 n ASN 424 Cb 0.22 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1va6 n ASN 424 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1va6 n GLY 425 N 1.50 -1.61 4.04 7.41 0.00 -0.32 -5.09 105.19 111.12 1va6 n GLY 425 Ca 0.05 -1.48 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 -0.92 -1.81 0.04 -0.02 0.00 -1.25 -4.76 105.19 96.47 1va6 n GLY 426 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1va6 n GLY 426 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1va6 n GLU 427 N 0.00 0.92 -0.22 1.61 0.00 -1.26 -4.68 120.64 117.00 1va6 n GLU 427 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 57.16 56.27 1va6 n GLU 427 Cb 0.00 -0.68 0.10 0.00 0.00 0.00 0.00 31.44 30.86 1va6 n GLU 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1va6 h ALA 428 N 0.00 0.59 -0.60 -1.84 0.00 -1.96 -1.01 119.26 114.44 1va6 h ALA 428 Ca 0.00 0.22 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1va6 h ALA 428 Cb 0.89 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1va6 h ALA 428 CO 0.00 -0.41 -0.01 1.88 0.00 0.00 0.00 179.25 180.71 1va6 h TYR 429 N 0.07 1.16 -0.38 0.00 0.05 -1.91 -2.66 116.97 113.30 1va6 h TYR 429 Ca 0.34 -0.20 -0.11 0.00 0.05 0.00 0.00 58.73 58.81 1va6 h TYR 429 Cb 0.56 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1va6 h TYR 429 CO -0.44 1.02 -0.22 1.96 -1.05 0.00 0.00 178.16 179.44 1va6 h GLN 430 N 0.96 0.75 -0.27 4.88 4.20 -1.61 -2.45 115.11 121.57 1va6 h GLN 430 Ca 0.17 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1va6 h GLN 430 Cb 0.57 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1va6 h GLN 430 CO 0.03 0.91 0.00 -0.22 -0.67 0.00 0.00 178.83 178.88 1va6 h LYS 431 N 0.66 0.41 -0.28 1.46 3.11 -1.08 -2.20 116.57 118.65 1va6 h LYS 431 Ca 0.09 -0.07 -0.17 0.00 -2.81 0.00 0.00 60.65 57.69 1va6 h LYS 431 Cb 0.73 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1va6 h LYS 431 CO 0.06 0.44 -0.51 0.28 -2.81 0.00 0.00 179.45 176.91 1va6 h VAL 432 N 0.40 1.29 -0.78 2.00 2.07 -1.11 -2.23 116.25 117.89 1va6 h VAL 432 Ca 0.09 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 1va6 h VAL 432 Cb 0.26 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1va6 h VAL 432 CO 0.01 0.55 0.48 0.00 0.02 0.00 0.00 177.57 178.63 1va6 h ASP 434 N 1.06 0.73 -0.10 0.00 3.32 -1.34 -1.13 116.42 118.96 1va6 h ASP 434 Ca 0.28 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1va6 h ASP 434 Cb -0.06 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1va6 h ASP 434 CO -0.05 1.03 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.16 1va6 h GLU 435 N 0.57 0.18 -0.04 3.56 5.08 -1.22 -3.31 114.58 119.40 1va6 h GLU 435 Ca 0.05 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 1va6 h GLU 435 Cb 0.90 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1va6 h GLU 435 CO 0.08 0.45 -0.86 -0.07 -1.00 0.00 0.00 179.01 177.62 1va6 h LEU 436 N -0.12 0.56 -2.27 1.33 3.38 -1.24 -3.16 115.31 113.78 1va6 h LEU 436 Ca 0.03 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1va6 h LEU 436 Cb 0.38 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1va6 h LEU 436 CO 0.01 1.19 -0.05 1.62 0.09 0.00 0.00 178.44 181.30 1va6 h VAL 437 N 0.28 0.37 0.00 1.22 3.04 -1.30 -0.02 116.25 119.84 1va6 h VAL 437 Ca -0.06 -0.27 -0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1va6 h VAL 437 Cb 1.47 1.19 -0.00 0.00 -2.01 0.00 0.00 31.29 31.94 1va6 h VAL 437 CO 0.15 0.05 -0.02 0.00 -1.01 0.00 0.00 177.57 176.74 1va6 h ALA 438 N 1.95 1.01 0.00 3.17 0.00 -1.63 -2.81 119.26 120.96 1va6 h ALA 438 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1va6 h ALA 438 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1va6 h ALA 438 CO 0.01 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1va6 h PHE 440 N 0.00 0.02 0.00 0.00 0.04 -1.67 -2.77 116.94 112.55 1va6 h PHE 440 Ca 0.00 -0.01 -0.23 0.00 2.80 0.00 0.00 57.97 60.53 1va6 h PHE 440 Cb 0.23 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 1va6 h PHE 440 CO 0.00 1.01 -1.50 -0.44 -0.60 0.00 0.00 178.31 176.78 1va6 h ASP 441 N 0.00 0.00 -3.15 2.17 3.32 -1.71 -3.42 116.42 113.62 1va6 h ASP 441 Ca -0.06 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.37 1va6 h ASP 441 Cb 1.82 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.96 1va6 h ASP 441 CO 0.12 0.81 -0.68 0.21 -1.72 0.00 0.00 179.24 177.99 1va6 s ASN 442 N -6.02 3.98 0.60 6.45 2.47 -0.68 -4.95 114.94 116.79 1va6 s ASN 442 Ca -0.03 -3.47 0.29 0.00 0.42 0.00 0.00 52.86 50.07 1va6 s ASN 442 Cb 0.08 -1.34 1.60 0.00 -1.45 0.00 0.00 41.25 40.14 1va6 s ASN 442 CO 0.82 -0.14 2.00 -0.65 -3.72 0.00 0.00 177.10 175.41 1va6 h PRO 443 N 5.73 0.00 0.00 0.43 0.11 -1.75 -1.42 132.00 135.09 1va6 h PRO 443 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1va6 h PRO 443 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1va6 h PRO 443 CO 0.62 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 1va6 n ASP 444 N -3.66 0.60 0.21 -2.05 8.00 -1.26 -1.76 116.55 116.63 1va6 n ASP 444 Ca 0.04 0.72 0.11 0.00 0.71 0.00 0.00 54.79 56.37 1va6 n ASP 444 Cb 0.46 -0.82 0.16 0.00 -0.02 0.00 0.00 41.12 40.90 1va6 n ASP 444 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1va6 h LEU 445 N 0.00 0.00-10.29 0.64 3.38 -1.58 -3.37 115.31 104.08 1va6 h LEU 445 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1va6 h LEU 445 Cb 0.15 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.06 1va6 h LEU 445 CO 0.00 0.06 0.24 0.42 0.09 0.00 0.00 178.44 179.26 1va6 s THR 446 N -3.18 2.66 0.23 0.22 -4.23 -0.72 -4.86 115.64 105.75 1va6 s THR 446 Ca 0.07 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1va6 s THR 446 Cb 0.05 -2.55 0.21 0.00 1.34 0.00 0.00 72.50 71.56 1va6 s THR 446 CO 0.68 -0.28 1.87 -0.26 -0.54 0.00 0.00 174.62 176.09 1va6 h PHE 447 N -1.61 1.20 -0.40 3.99 -1.00 -1.62 -2.21 116.94 115.29 1va6 h PHE 447 Ca -0.47 -0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.16 1va6 h PHE 447 Cb 1.27 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 1va6 h PHE 447 CO 0.47 0.80 -0.28 0.66 -1.61 0.00 0.00 178.31 178.35 1va6 h SER 448 N 1.24 0.89 -0.32 2.17 4.64 -1.38 0.17 113.55 120.96 1va6 h SER 448 Ca 0.32 -0.36 -0.11 0.00 -0.47 0.00 0.00 61.79 61.17 1va6 h SER 448 Cb -0.03 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 1va6 h SER 448 CO -0.06 1.11 -0.23 0.00 -0.87 0.00 0.00 176.83 176.78 1va6 h ALA 449 N 0.94 0.46 -0.45 5.18 0.00 -1.79 -0.74 119.26 122.86 1va6 h ALA 449 Ca 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1va6 h ALA 449 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1va6 h ALA 449 CO 0.07 0.44 0.22 0.00 0.00 0.00 0.00 179.25 179.98 1va6 h ARG 450 N 0.49 0.64 -0.16 0.00 3.08 -1.18 -1.11 114.38 116.14 1va6 h ARG 450 Ca 0.06 -0.09 -0.21 0.00 0.07 0.00 0.00 59.98 59.81 1va6 h ARG 450 Cb 0.79 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.73 1va6 h ARG 450 CO 0.06 0.54 -0.73 0.97 -1.07 0.00 0.00 179.97 179.74 1va6 h ILE 451 N 0.59 1.29 -0.58 2.04 6.09 -0.97 -2.48 117.51 123.50 1va6 h ILE 451 Ca 0.16 -1.96 -0.01 0.00 -1.37 0.00 0.00 64.86 61.68 1va6 h ILE 451 Cb 0.10 1.94 -0.03 0.00 0.47 0.00 0.00 36.82 39.30 1va6 h ILE 451 CO -0.02 0.62 0.34 0.25 -3.07 0.00 0.00 178.15 176.26 1va6 h LEU 452 N 0.51 0.69 -0.04 2.19 5.85 -1.03 -1.46 115.31 122.02 1va6 h LEU 452 Ca -0.04 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1va6 h LEU 452 Cb 1.34 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1va6 h LEU 452 CO 0.15 0.54 0.01 -0.09 -0.34 0.00 0.00 178.44 178.70 1va6 h ARG 453 N 0.79 0.07 -0.64 1.25 9.65 -1.13 -2.54 114.38 121.84 1va6 h ARG 453 Ca 0.21 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.08 1va6 h ARG 453 Cb -0.01 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 1va6 h ARG 453 CO -0.04 0.32 0.43 1.03 2.80 0.00 0.00 179.97 184.51 1va6 h SER 454 N -0.18 0.73 0.84 -3.80 0.87 -1.20 -2.43 113.55 108.37 1va6 h SER 454 Ca 0.01 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1va6 h SER 454 Cb 0.28 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1va6 h SER 454 CO 0.00 0.52 -0.56 0.24 -0.53 0.00 0.00 176.83 176.50 1va6 h MET 455 N 0.85 0.00 0.05 2.24 2.86 -1.20 -2.94 114.93 116.79 1va6 h MET 455 Ca 0.24 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.64 1va6 h MET 455 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1va6 h MET 455 CO -0.05 0.56 -1.06 0.82 1.06 0.00 0.00 176.91 178.24 1va6 h ILE 456 N 0.00 1.44 0.05 -1.22 2.04 -1.17 -3.38 117.51 115.27 1va6 h ILE 456 Ca -0.01 -2.68 -0.23 0.00 1.00 0.00 0.00 64.86 62.95 1va6 h ILE 456 Cb 1.14 2.62 -0.02 0.00 -0.74 0.00 0.00 36.82 39.82 1va6 h ILE 456 CO 0.07 0.79 -1.08 0.44 0.00 0.00 0.00 178.15 178.38 1va6 h ASP 457 N 0.17 0.18 0.00 1.72 5.19 -1.36 -3.44 116.42 118.88 1va6 h ASP 457 Ca -0.10 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1va6 h ASP 457 Cb 1.73 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 41.18 1va6 h ASP 457 CO 0.18 1.13 0.00 0.35 -3.12 0.00 0.00 179.24 177.78 1va6 n THR 458 N -3.45 0.00 0.07 0.35 -2.24 -1.12 -5.12 114.28 102.77 1va6 n THR 458 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1va6 n THR 458 Cb 0.96 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.03 4.28 -1.04 -1.26 -4.68 114.28 111.55 1va6 n THR 463 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1va6 n THR 463 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 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 0.15 1.01 3.41 0.00 -1.99 -0.16 103.07 105.48 1va6 h GLY 464 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1va6 h GLY 464 CO 0.00 -0.06 0.60 0.50 0.00 0.00 0.00 176.54 177.58 1va6 h LYS 465 N 0.02 1.25 -0.24 4.80 1.57 -1.95 -0.54 116.57 121.49 1va6 h LYS 465 Ca 0.09 -0.09 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1va6 h LYS 465 Cb 0.12 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1va6 h LYS 465 CO -0.17 0.85 -0.62 0.00 -0.57 0.00 0.00 179.45 178.94 1va6 h ALA 466 N 1.33 0.44 -0.43 3.86 0.00 -1.88 -1.79 119.26 120.80 1va6 h ALA 466 Ca 0.34 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1va6 h ALA 466 Cb -0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1va6 h ALA 466 CO -0.07 0.69 -0.20 0.74 0.00 0.00 0.00 179.25 180.40 1va6 h PHE 467 N 0.61 1.03 -0.88 0.00 -1.00 -0.85 -1.71 116.94 114.14 1va6 h PHE 467 Ca -0.01 -0.25 -0.01 0.00 2.81 0.00 0.00 57.97 60.51 1va6 h PHE 467 Cb 1.23 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 40.51 1va6 h PHE 467 CO 0.07 1.04 0.52 0.00 -1.61 0.00 0.00 178.31 178.34 1va6 h ALA 468 N 0.83 1.26 -0.04 2.45 0.00 -1.06 0.11 119.26 122.81 1va6 h ALA 468 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1va6 h ALA 468 Cb 0.77 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1va6 h ALA 468 CO 0.06 0.63 -0.45 1.49 0.00 0.00 0.00 179.25 180.98 1va6 h GLU 469 N 1.22 0.37 -0.62 0.00 4.57 -1.22 -1.11 114.58 117.79 1va6 h GLU 469 Ca 0.32 -0.35 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1va6 h GLU 469 Cb -0.04 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1va6 h GLU 469 CO -0.06 1.01 0.39 0.00 -1.18 0.00 0.00 179.01 179.18 1va6 h ALA 470 N 0.37 0.81 -0.19 2.92 0.00 -1.14 -2.13 119.26 119.89 1va6 h ALA 470 Ca -0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1va6 h ALA 470 Cb 1.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1va6 h ALA 470 CO 0.09 0.15 -0.51 1.88 0.00 0.00 0.00 179.25 180.87 1va6 h TYR 471 N 0.78 0.63 -0.41 0.00 0.05 -0.80 -1.46 116.97 115.76 1va6 h TYR 471 Ca 0.25 -0.21 0.04 0.00 0.05 0.00 0.00 58.73 58.85 1va6 h TYR 471 Cb -0.01 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 1va6 h TYR 471 CO -0.05 0.91 0.19 -0.09 -1.05 0.00 0.00 178.16 178.07 1va6 h ARG 472 N 0.40 0.37 -0.25 4.88 2.43 -1.05 -1.16 114.38 120.00 1va6 h ARG 472 Ca 0.02 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1va6 h ARG 472 Cb 1.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1va6 h ARG 472 CO 0.09 0.25 -0.40 -0.91 -1.51 0.00 0.00 179.97 177.49 1va6 h ASN 473 N 0.38 0.63 0.01 -3.80 2.35 -1.19 -1.51 115.58 112.45 1va6 h ASN 473 Ca 0.18 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1va6 h ASN 473 Cb 0.11 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1va6 h ASN 473 CO -0.14 0.96 -0.00 0.25 -1.65 0.00 0.00 177.43 176.84 1va6 h LEU 474 N 0.49 -0.01 -0.61 1.61 5.85 -1.05 -3.28 115.31 118.31 1va6 h LEU 474 Ca 0.04 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.30 1va6 h LEU 474 Cb 0.90 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1va6 h LEU 474 CO 0.08 0.34 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.35 1va6 h LEU 475 N -0.37 1.00 -2.19 2.25 3.38 -1.19 -2.96 115.31 115.23 1va6 h LEU 475 Ca -0.00 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.70 1va6 h LEU 475 Cb 0.36 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1va6 h LEU 475 CO 0.00 1.10 0.21 0.03 0.09 0.00 0.00 178.44 179.87 1va6 h ARG 476 N 0.89 0.00 -0.00 1.13 3.08 -1.34 -1.92 114.38 116.22 1va6 h ARG 476 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1va6 h ARG 476 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1va6 h ARG 476 CO 0.05 0.00 -0.52 0.39 -1.07 0.00 0.00 179.97 178.82 1va6 n GLU 477 N -3.91 0.27 -3.39 0.04 -0.58 -1.12 -4.92 120.64 107.02 1va6 n GLU 477 Ca 0.02 -0.18 -0.37 0.00 -0.42 0.00 0.00 57.16 56.21 1va6 n GLU 477 Cb 0.34 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.64 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 -2.85 4.29 0.68 3.49 2.02 -0.72 -5.05 118.70 120.55 1va6 s GLU 478 Ca 0.14 0.30 -0.17 0.00 0.02 0.00 0.00 54.97 55.27 1va6 s GLU 478 Cb 0.18 -3.45 0.01 0.00 0.10 0.00 0.00 34.13 30.96 1va6 s GLU 478 CO 0.68 0.15 1.22 -2.14 0.02 0.00 0.00 175.26 175.18 1va6 s PRO 479 N 0.71 2.46 0.46 0.39 0.02 -1.26 -4.98 135.00 132.79 1va6 s PRO 479 Ca 0.22 1.82 -0.24 0.00 0.02 0.00 0.00 61.00 62.83 1va6 s PRO 479 Cb -0.14 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.44 1va6 s PRO 479 CO 0.08 -1.61 1.25 -0.51 -0.33 0.00 0.00 177.00 175.89 1va6 s LEU 480 N -4.71 4.04 -0.11 -5.54 1.43 -1.26 -4.98 118.68 107.55 1va6 s LEU 480 Ca 0.77 2.53 0.05 0.00 -1.03 0.00 0.00 54.13 56.44 1va6 s LEU 480 Cb -0.31 -4.14 -0.10 0.00 0.03 0.00 0.00 46.19 41.67 1va6 s LEU 480 CO 0.41 -1.06 -0.03 -0.62 0.23 0.00 0.00 176.35 175.28 1va6 n GLU 481 N -0.43 1.45 -0.06 1.70 1.02 -1.26 -4.88 120.64 118.18 1va6 n GLU 481 Ca 0.07 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1va6 n GLU 481 Cb 0.46 -1.25 -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 -2.59 1.34 -2.96 -3.67 5.41 -1.26 -5.02 119.36 110.61 1va6 n ILE 482 Ca -0.19 0.10 -0.33 0.00 1.00 0.00 0.00 62.75 63.34 1va6 n ILE 482 Cb 0.78 -2.04 -0.06 0.00 -0.71 0.00 0.00 39.64 37.61 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 -7.50 3.99 0.35 1.39 1.43 -1.26 -5.09 118.68 111.98 1va6 s LEU 483 Ca -0.22 1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1va6 s LEU 483 Cb 0.05 -4.32 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 1va6 s LEU 483 CO 0.31 -0.29 0.67 -0.13 0.23 0.00 0.00 176.35 177.14 1va6 s ARG 484 N -3.12 3.72 0.29 1.70 0.52 -1.26 -4.76 118.95 116.04 1va6 s ARG 484 Ca 0.58 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 1va6 s ARG 484 Cb -0.10 -2.51 0.50 0.00 0.52 0.00 0.00 34.95 33.37 1va6 s ARG 484 CO 0.16 0.09 1.90 0.93 0.02 0.00 0.00 175.30 178.39 1va6 h GLU 485 N 1.51 1.03 -0.68 3.54 4.39 -1.98 -0.64 114.58 121.75 1va6 h GLU 485 Ca -0.47 -0.06 0.14 0.00 0.34 0.00 0.00 59.36 59.31 1va6 h GLU 485 Cb 1.19 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.56 1va6 h GLU 485 CO 0.65 0.68 0.46 0.93 -1.16 0.00 0.00 179.01 180.58 1va6 h GLU 486 N 1.06 0.30 -0.57 2.33 3.07 -1.99 -1.62 114.58 117.16 1va6 h GLU 486 Ca 0.41 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.19 1va6 h GLU 486 Cb 0.23 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1va6 h GLU 486 CO -0.17 0.20 0.10 -0.44 -1.40 0.00 0.00 179.01 177.31 1va6 h ASP 487 N 0.31 0.90 -0.40 1.42 3.32 -1.50 0.15 116.42 120.61 1va6 h ASP 487 Ca 0.33 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1va6 h ASP 487 Cb 0.85 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1va6 h ASP 487 CO -0.08 0.92 0.23 -0.26 -1.72 0.00 0.00 179.24 178.33 1va6 h PHE 488 N 0.83 0.43 -0.52 4.55 0.04 -1.27 -0.99 116.94 120.01 1va6 h PHE 488 Ca 0.17 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.85 1va6 h PHE 488 Cb 0.40 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1va6 h PHE 488 CO 0.03 0.24 -0.08 0.28 -0.60 0.00 0.00 178.31 178.18 1va6 h VAL 489 N 0.46 1.27 -0.64 -0.55 2.07 -1.15 -0.04 116.25 117.67 1va6 h VAL 489 Ca 0.16 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.48 1va6 h VAL 489 Cb 0.03 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1va6 h VAL 489 CO -0.09 0.43 0.41 0.00 0.02 0.00 0.00 177.57 178.35 1va6 h ALA 490 N 0.92 0.83 0.01 1.67 0.00 -0.59 -2.22 119.26 119.89 1va6 h ALA 490 Ca 0.14 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1va6 h ALA 490 Cb 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1va6 h ALA 490 CO 0.04 0.20 -0.91 1.49 0.00 0.00 0.00 179.25 180.07 1va6 h GLU 491 N 0.83 0.11 -0.10 0.00 4.57 -0.88 -0.57 114.58 118.53 1va6 h GLU 491 Ca 0.25 -0.13 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1va6 h GLU 491 Cb -0.04 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 1va6 h GLU 491 CO -0.08 0.94 -0.30 -0.09 -1.18 0.00 0.00 179.01 178.30 1va6 h ARG 492 N 0.05 -0.38 -0.17 1.92 2.43 -0.75 -0.23 114.38 117.26 1va6 h ARG 492 Ca -0.03 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1va6 h ARG 492 Cb 1.57 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.19 1va6 h ARG 492 CO 0.13 -0.25 0.10 0.93 -1.51 0.00 0.00 179.97 179.37 1va6 h GLU 493 N -0.39 0.23 -0.59 0.20 5.08 -1.22 -1.91 114.58 115.97 1va6 h GLU 493 Ca 0.09 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1va6 h GLU 493 Cb 0.53 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1va6 h GLU 493 CO -0.32 0.20 0.08 0.00 -1.00 0.00 0.00 179.01 177.97 1va6 h ALA 494 N 1.01 1.02 -0.30 3.43 0.00 -0.98 -0.42 119.26 123.02 1va6 h ALA 494 Ca 0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1va6 h ALA 494 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1va6 h ALA 494 CO -0.01 0.62 -0.18 0.66 0.00 0.00 0.00 179.25 180.34 1va6 h SER 495 N 0.91 0.68 -0.92 0.00 4.64 -0.93 0.39 113.55 118.31 1va6 h SER 495 Ca 0.18 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1va6 h SER 495 Cb 0.42 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 1va6 h SER 495 CO 0.01 0.96 0.59 -0.33 -0.87 0.00 0.00 176.83 177.19 1va6 h GLU 496 N 0.41 1.23 -0.02 4.77 5.08 -1.15 -0.97 114.58 123.93 1va6 h GLU 496 Ca 0.06 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1va6 h GLU 496 Cb 0.72 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1va6 h GLU 496 CO 0.05 0.83 0.01 0.00 -1.00 0.00 0.00 179.01 178.90 1va6 h ARG 497 N 1.26 0.03 -0.43 2.33 3.08 -0.84 -2.29 114.38 117.51 1va6 h ARG 497 Ca 0.34 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 1va6 h ARG 497 Cb -0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1va6 h ARG 497 CO -0.07 0.07 0.26 0.00 -1.07 0.00 0.00 179.97 179.16 1va6 h ARG 498 N -0.03 0.57 -0.19 0.04 3.08 -0.47 -1.35 114.38 116.03 1va6 h ARG 498 Ca 0.01 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1va6 h ARG 498 Cb 0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1va6 h ARG 498 CO -0.00 0.40 -0.24 0.37 -1.07 0.00 0.00 179.97 179.43 1va6 h GLN 499 N 0.59 0.50 -0.75 0.04 4.15 -1.01 -2.44 115.11 116.19 1va6 h GLN 499 Ca 0.16 -0.28 0.08 0.00 0.77 0.00 0.00 58.65 59.38 1va6 h GLN 499 Cb -0.02 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.64 1va6 h GLN 499 CO -0.03 0.87 0.49 1.96 -1.93 0.00 0.00 178.83 180.19 1va6 h GLN 500 N 0.16 0.69 -0.47 1.69 4.20 -0.78 -2.28 115.11 118.32 1va6 h GLN 500 Ca 0.02 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1va6 h GLN 500 Cb 0.80 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1va6 h GLN 500 CO 0.06 0.45 -0.10 0.93 -0.67 0.00 0.00 178.83 179.50 1va6 h GLU 501 N 0.71 0.90 -0.09 1.46 5.08 -1.00 -1.71 114.58 119.92 1va6 h GLU 501 Ca 0.34 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1va6 h GLU 501 Cb 0.39 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1va6 h GLU 501 CO -0.12 0.99 -0.48 0.52 -1.00 0.00 0.00 179.01 178.92 1va6 h MET 502 N 0.75 0.24 -0.27 2.33 2.86 -1.16 -0.88 114.93 118.80 1va6 h MET 502 Ca 0.12 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1va6 h MET 502 Cb 0.65 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1va6 h MET 502 CO 0.04 0.67 -0.17 0.93 1.06 0.00 0.00 176.91 179.45 1va6 h GLU 503 N 0.19 0.47 0.00 1.72 5.08 -1.06 -3.06 114.58 117.93 1va6 h GLU 503 Ca 0.01 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 58.01 1va6 h GLU 503 Cb 0.92 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1va6 h GLU 503 CO 0.07 0.63 -1.19 0.00 -1.00 0.00 0.00 179.01 177.53 1va6 h ALA 504 N 1.39 0.56 -0.00 3.43 0.00 -1.01 -3.32 119.26 120.30 1va6 h ALA 504 Ca 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1va6 h ALA 504 Cb 0.55 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1va6 h ALA 504 CO 0.04 1.23 -0.05 0.00 0.00 0.00 0.00 179.25 180.46 1va6 n ALA 505 N -2.40 2.68 -2.29 0.00 0.00 -0.36 -4.77 120.51 113.37 1va6 n ALA 505 Ca -0.06 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1va6 n ALA 505 Cb 0.93 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.24 6.90 -0.24 0.00 1.01 -1.16 -4.91 116.67 116.02 1va6 s ASP 506 Ca 0.37 1.99 -0.15 0.00 0.71 0.00 0.00 52.55 55.46 1va6 s ASP 506 Cb 0.21 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.48 1va6 s ASP 506 CO 0.41 -0.71 -0.30 0.35 0.21 0.00 0.00 175.17 175.13 1va6 n THR 507 N 4.84 1.52 -2.05 -1.27 -2.24 -1.26 -5.00 114.28 108.82 1va6 n THR 507 Ca 0.13 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 1va6 n THR 507 Cb 0.44 -2.03 0.01 0.00 -2.10 0.00 0.00 70.33 66.65 1va6 n THR 507 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1va6 s GLU 508 N -2.59 3.60 0.62 -0.78 -1.05 -1.26 -5.06 118.70 112.18 1va6 s GLU 508 Ca -0.35 0.65 -0.14 0.00 -0.15 0.00 0.00 54.97 54.98 1va6 s GLU 508 Cb 0.11 -2.14 -0.03 0.00 -0.44 0.00 0.00 34.13 31.63 1va6 s GLU 508 CO 0.47 -0.48 1.05 -1.25 0.95 0.00 0.00 175.26 176.00 1va6 s PRO 509 N -5.04 3.27 0.23 -4.83 0.04 -1.26 -4.94 135.00 122.48 1va6 s PRO 509 Ca 0.54 1.06 -0.10 0.00 0.04 0.00 0.00 61.00 62.54 1va6 s PRO 509 Cb -0.11 -2.03 0.36 0.00 0.04 0.00 0.00 34.50 32.76 1va6 s PRO 509 CO 0.51 -0.84 1.62 0.35 0.04 0.00 0.00 177.00 178.69 1va6 h PHE 510 N 0.05 -0.21 -0.98 0.56 3.57 -1.97 -2.58 116.94 115.39 1va6 h PHE 510 Ca -0.46 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.20 1va6 h PHE 510 Cb 1.21 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 40.08 1va6 h PHE 510 CO 0.61 -0.27 0.62 0.00 -2.23 0.00 0.00 178.31 177.04 1va6 h ALA 511 N 1.70 1.52 0.00 2.41 0.00 -2.02 -2.21 119.26 120.66 1va6 h ALA 511 Ca 0.38 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1va6 h ALA 511 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1va6 h ALA 511 CO -0.69 0.28 -0.55 0.28 0.00 0.00 0.00 179.25 178.56 1va6 h VAL 512 N 1.02 0.83 -0.04 0.00 2.07 -1.85 -3.27 116.25 115.01 1va6 h VAL 512 Ca 0.46 -2.19 0.03 0.00 0.82 0.00 0.00 66.70 65.82 1va6 h VAL 512 Cb 0.37 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 1va6 h VAL 512 CO -0.21 0.47 -0.16 -0.25 0.02 0.00 0.00 177.57 177.44 1va6 h TRP 513 N 0.00 -0.41 -0.10 1.57 7.01 -1.26 -3.22 115.95 119.54 1va6 h TRP 513 Ca -0.01 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.05 1va6 h TRP 513 Cb 1.39 0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 28.59 1va6 h TRP 513 CO 0.00 -0.23 -0.26 -0.07 -2.79 0.00 0.00 178.44 175.09 1va6 h LEU 514 N -0.24 -0.78 0.00 0.65 3.38 -1.60 -3.53 115.31 113.19 1va6 h LEU 514 Ca 0.07 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1va6 h LEU 514 Cb 0.33 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1va6 h LEU 514 CO -0.18 -0.31 0.00 -0.62 0.09 0.00 0.00 178.44 177.42