NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3934 8.1885 115.4130 57.8764 64.5480 174.3804 6 A 3.9713 8.2955 123.6559 53.6883 18.7676 178.1443 7 T 4.0641 8.0054 110.3284 64.5326 68.3811 174.2400 8 E 4.3005 7.9226 121.7144 58.5628 29.5709 178.3538 9 T 3.9262 7.4957 115.6810 66.2203 68.6502 176.0234 10 A 4.0063 7.9637 121.8183 55.9715 18.4644 179.5346 11 T 3.8532 7.8216 110.7677 64.9200 67.3019 176.6166 12 R 3.9005 7.9208 120.3594 59.5021 30.2439 178.1546 13 D 4.4083 8.5478 119.0411 57.1209 40.7163 178.7440 14 Q 3.9228 8.0143 119.8139 59.2256 29.0601 177.8105 15 L 4.0229 7.6414 118.4059 57.9741 41.7561 179.6139 16 T 4.2272 7.7661 115.2093 66.3824 68.5724 176.7578 17 K 3.7400 7.9762 120.0599 59.8150 32.0437 177.8552 18 E 4.4159 8.4919 118.1003 58.6339 29.6566 178.5946 19 A 4.0336 8.3009 121.3333 55.2320 18.1654 179.7112 20 F 3.9381 8.4066 115.1296 60.5678 39.1445 176.9686 21 Q 4.3426 7.7734 118.4007 57.7262 29.2258 175.9694 22 N 4.6798 7.7789 118.2176 50.9905 37.0525 173.0774 23 P 4.7445 0.0000 0.0000 64.5639 31.6430 178.2756 24 D 4.5550 8.1053 116.4464 56.0390 41.3079 177.1368 25 N 4.4935 8.5979 117.4002 55.2680 38.8751 175.8650 26 Q 4.1335 7.2096 113.8789 55.9578 29.5843 175.7181 27 K 4.5124 8.1896 119.8763 55.7485 34.6120 175.6652 28 V 4.7842 7.9224 119.8338 61.2218 34.6983 174.3484 29 N 4.9197 8.6272 118.6008 51.1017 39.0245 173.0458 30 I 4.8844 8.3448 122.6175 60.5754 37.3957 175.3379 31 D 4.8119 8.6767 127.0166 51.3679 41.1751 176.9748 32 E 4.2888 8.8139 118.3740 59.5608 29.1867 178.2465 33 L 4.0048 7.9156 119.1690 56.1029 42.3755 177.2088 34 G 4.0302 9.4350 106.5191 45.1072 0.0000 173.3112 35 N 4.5346 8.6369 118.1070 53.1170 39.8793 174.3872 36 A 4.6708 8.5618 125.4684 50.4491 19.5175 174.6183 37 I 4.2617 8.0342 121.6122 60.0454 38.8918 173.1829 38 P 4.3425 0.0000 0.0000 62.7876 31.1222 176.0548 39 S 4.2035 8.6466 117.9570 60.3470 62.4696 175.1665 40 G 4.2223 8.8931 106.2912 44.6661 0.0000 173.1796 41 V 4.5899 7.5006 118.9532 60.8967 34.7528 174.6113 42 L 4.3021 8.3510 126.6997 53.6769 42.8373 176.7355 43 K 3.8825 8.4339 121.4191 57.0495 32.5862 177.6182 44 D 4.1769 9.1179 123.9381 55.5722 39.2812 177.1636 45 D 4.4598 7.8851 117.8793 54.9615 41.9427 176.1833 46 V 4.2972 8.4311 117.6925 63.7518 33.9686 177.5105 47 V 3.6540 7.9410 119.1651 65.8780 31.8423 177.7724 48 A 3.9479 7.7403 122.7359 55.2863 18.3211 178.6539 49 N 4.5768 8.1498 109.4952 54.7414 38.8370 174.9415 50 I 4.4223 7.2054 115.8971 62.5333 39.9948 176.4924 51 E 4.1384 8.2583 120.7378 58.2254 29.7165 178.2230 52 E 4.0095 8.7147 120.5931 58.9560 29.0692 177.7485 53 Q 4.4119 7.9827 114.9164 56.2348 28.9929 177.1180 54 A 4.2478 7.5183 120.8250 54.2802 18.3502 179.8314 55 K 4.2421 8.1436 118.9415 58.8122 32.3495 178.4707 56 A 3.9603 7.7051 118.3396 53.7638 18.0448 178.0815 57 A 4.4193 7.3538 114.8167 52.0964 19.8365 178.1227 58 G 3.9628 8.9308 104.2082 44.8203 0.0000 175.3050 59 E 3.8172 7.9360 121.7632 59.2712 29.8736 177.7316 60 E 4.2277 7.8961 118.0006 57.8230 28.3063 177.8201 61 A 4.2149 7.8363 119.4768 53.8682 18.7471 177.8046 62 K 4.0000 7.2666 117.4078 58.3337 33.2651 178.0025 63 Q 4.0305 8.5545 118.6892 58.9535 28.4180 179.5466 64 Q 4.0718 7.6017 117.9324 58.3248 29.3581 177.7441 65 A 4.1234 7.2414 119.0714 54.0608 18.3752 178.7521 66 I 4.0767 7.7045 117.0561 62.7395 39.8141 177.3068 67 E 4.4270 7.4038 119.7096 55.9095 25.5523 176.7695 68 N 4.4598 7.7780 119.0797 53.6300 39.6891 174.7201 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 S 8.19 4.39 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.30 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.01 4.06 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 8 E 7.92 4.30 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 9 T 7.50 3.93 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 A 7.96 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.82 3.85 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 12 R 7.92 3.90 0.00 2.00 2.13 0.00 3.25 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 13 D 8.55 4.41 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.01 3.92 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 15 L 7.64 4.02 0.00 1.74 1.77 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.77 4.23 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 17 K 7.98 3.74 0.00 1.80 2.05 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 18 E 8.49 4.42 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 19 A 8.30 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.41 3.94 0.00 2.95 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.77 4.34 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 22 N 7.78 4.68 0.00 2.77 2.81 0.00 0.00 7.02 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.74 0.00 2.21 2.12 0.00 3.92 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 24 D 8.11 4.56 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.60 4.49 0.00 2.66 2.73 0.00 0.00 6.84 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.21 4.13 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.71 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 27 K 8.19 4.51 0.00 1.85 1.70 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.32 7.81 28 V 7.92 4.78 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 1.01 0.00 0.00 29 N 8.63 4.92 0.00 2.60 2.77 0.00 0.00 7.04 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.34 4.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.87 0.91 0.00 0.00 31 D 8.68 4.81 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.81 4.29 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 33 L 7.92 4.00 0.00 1.64 1.87 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.44 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.64 4.53 0.00 2.99 2.75 0.00 0.00 6.69 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.56 4.67 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.03 4.26 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.92 0.00 0.00 38 P 0.00 4.34 0.00 2.12 2.13 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 39 S 8.65 4.20 0.00 4.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.89 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.50 4.59 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 42 L 8.35 4.30 0.00 1.43 1.37 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.43 3.88 0.00 1.67 1.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.43 1.60 7.81 44 D 9.12 4.18 0.00 2.81 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.89 4.46 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.43 4.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.89 0.00 0.00 47 V 7.94 3.65 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.99 0.00 0.00 48 A 7.74 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.15 4.58 0.00 2.67 2.83 0.00 0.00 6.74 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.21 4.42 2.12 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 0.94 0.00 0.00 51 E 8.26 4.14 0.00 2.26 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 52 E 8.71 4.01 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 53 Q 7.98 4.41 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 54 A 7.52 4.25 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.14 4.24 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 56 A 7.71 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.35 4.42 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.94 3.82 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 60 E 7.90 4.23 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 61 A 7.84 4.21 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.27 4.00 0.00 2.11 1.90 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.49 7.81 63 Q 8.55 4.03 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 64 Q 7.60 4.07 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 65 A 7.24 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.70 4.08 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.95 0.00 0.00 67 E 7.40 4.43 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 68 N 7.78 4.46 0.00 2.66 2.65 0.00 0.00 7.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00