NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4446 8.3349 115.4126 57.7355 64.3189 173.6195 2 K 4.0462 8.5633 124.0771 55.8206 32.5625 174.9996 3 T 4.3966 8.3832 114.1873 62.0968 70.3870 174.1023 4 N 4.5435 7.9664 120.4475 52.8330 40.2556 173.6985 5 P 4.2980 0.0000 0.0000 65.3798 31.6127 178.9503 6 R 3.9844 8.2103 117.4089 58.9615 29.9787 178.6907 7 L 4.0035 7.9896 119.8028 58.1002 42.0500 179.0031 8 S 4.1839 7.8609 115.3251 61.4489 62.6049 176.8646 9 S 4.1163 7.8810 117.6059 61.3216 62.5766 176.2682 10 L 3.8865 7.9931 123.0581 58.3296 41.9035 179.1666 11 I 3.6830 7.8390 119.4734 64.3277 37.0298 178.3450 12 A 4.0467 7.8628 121.5726 55.1348 18.0552 179.4245 13 D 4.3337 8.3604 117.8334 57.2504 40.7684 178.9565 14 L 3.9370 8.1704 119.8962 57.3780 41.6364 179.7079 15 K 4.0295 8.0018 118.4584 59.5588 32.1240 179.3288 16 S 4.1155 8.1668 113.1446 61.3009 62.3237 176.0187 17 A 4.1209 7.8891 123.4301 54.7020 18.0687 179.2999 18 A 4.1943 7.8285 118.5715 54.7214 18.6032 179.4838 19 R 4.1914 7.7580 115.8243 58.8164 30.5426 178.9133 20 S 4.3266 7.7555 113.6641 60.5849 63.3556 175.3335 21 S 4.5519 7.4351 115.7235 57.4436 64.2971 174.9989 22 G 3.9523 8.3950 110.4923 45.5867 0.0000 173.5305 23 G 4.1584 7.6594 105.4740 43.5712 0.0000 171.7459 24 A 4.6180 8.0400 120.6184 51.2872 21.2988 178.9852 25 V 3.4413 7.5509 115.3319 65.8522 31.4939 178.0530 26 W 4.7240 7.7908 117.9721 59.2674 28.7820 178.2169 27 G 3.7888 8.1214 105.1336 46.8202 0.0000 175.2628 28 D 4.3851 7.7401 120.4957 57.0760 41.2368 178.4523 29 V 3.7554 8.1898 118.8353 65.6805 31.6764 177.9357 30 A 4.0541 7.9513 120.7067 55.1630 17.9829 179.4804 31 E 3.9988 7.9008 116.1787 59.1861 29.6499 178.9747 32 R 4.1400 7.6052 117.3274 58.7000 29.9947 178.1871 33 L 4.0382 7.6709 117.9420 57.0153 41.7686 178.5349 34 E 4.2121 7.9299 117.1785 57.4005 29.6952 177.3282 35 K 4.3190 6.8348 116.6121 54.7931 33.1742 174.9835 36 P 4.3755 0.0000 0.0000 62.7379 31.9195 178.0053 37 R 3.5572 8.5202 119.7484 59.2188 30.1800 179.5246 38 R 3.9960 7.8408 113.4205 58.8470 29.6733 177.8028 39 T 4.1054 7.6725 108.2342 63.8816 69.2940 175.0341 40 H 4.3140 7.5195 118.4161 55.6552 29.4570 174.5765 41 A 4.2241 8.3586 123.3698 52.1214 19.6944 176.5646 42 E 4.8984 8.7348 121.1034 54.1989 30.7249 173.7261 43 V 4.3203 8.6249 123.2720 61.1679 33.5300 174.8842 44 N 5.3118 8.4986 124.6054 51.4933 40.5715 176.2280 45 L 4.1550 8.5608 119.8057 57.8695 41.1254 180.0127 46 G 3.7408 8.1634 104.8656 46.9865 0.0000 175.0121 47 R 3.9202 7.6885 120.2235 58.7384 30.4376 178.3062 48 I 3.8971 7.6696 119.2870 64.0632 36.9574 177.7855 49 E 3.9586 8.0354 119.8208 58.9978 29.4955 178.5269 50 R 3.8249 7.3072 117.8431 58.7186 30.2745 177.1117 51 Y 4.7477 7.5270 112.3991 56.9886 39.1984 175.6528 52 A 4.6844 7.2870 123.0165 50.8363 20.9008 176.2719 53 Q 4.6791 8.0467 116.0994 53.8575 31.9318 174.8190 54 E 4.1481 8.5999 118.3870 57.8710 29.9993 176.7306 55 D 4.4145 8.8593 119.5624 54.8388 38.5389 172.9442 56 E 4.7683 7.6295 119.0587 54.4058 31.9795 175.7230 57 T 4.2712 8.6350 124.9643 63.7142 69.9172 173.7515 58 V 4.4971 8.9275 127.3107 62.0113 33.1035 174.5969 59 V 4.7931 9.2285 128.9887 61.2645 33.8156 174.2979 60 V 4.8060 9.2136 129.1642 59.2450 33.2183 174.0874 61 P 4.8357 0.0000 0.0000 62.7540 32.8935 176.3838 62 G 3.9829 7.5072 115.9113 47.0012 0.0000 175.9902 63 K 4.9689 9.8373 127.5949 54.1167 35.5597 173.5071 64 V 4.7433 8.1281 126.6811 61.6671 33.1466 174.7704 65 L 4.9506 9.2659 127.8538 52.5617 45.0867 176.4669 66 G 4.1397 8.4882 106.5969 46.9042 0.0000 173.7159 67 S 4.5037 8.3537 116.9363 58.7469 64.4900 175.2303 68 G 4.2385 8.9974 109.8719 45.1988 0.0000 172.1541 69 V 4.2853 7.8569 117.4268 60.6552 33.2243 174.4416 70 L 4.7897 8.4020 127.5936 53.5992 43.7314 175.5251 71 Q 4.4552 9.4233 125.5134 56.7611 30.3468 176.9739 72 K 4.1259 8.0876 116.4195 56.5499 32.3549 176.9471 73 D 5.1927 8.4749 123.0127 52.4079 40.1588 174.5280 74 V 4.5132 7.8005 115.1303 59.1834 35.9890 174.6889 75 T 4.6533 8.4490 120.6049 62.6190 69.7948 173.6564 76 V 4.7500 8.7960 127.8588 61.3690 33.6874 174.3375 77 A 5.9400 10.0128 130.0725 49.5458 21.6962 174.9953 78 A 4.8450 8.3842 122.7218 50.4983 22.8312 176.9677 79 V 3.5891 8.1045 118.9312 66.1567 32.1215 175.6889 80 D 4.7434 7.3591 117.0328 53.2745 44.5229 174.0634 81 F 5.4539 8.6692 120.6411 55.4976 42.9434 175.0618 82 S 4.4102 8.9336 116.7796 57.7916 63.8855 175.3506 83 G 3.7733 8.9538 107.4479 48.7030 0.0000 176.0396 84 T 4.0349 7.9122 117.2325 65.8758 68.5701 176.7033 85 A 4.0245 7.9602 122.5606 55.3769 18.5638 179.3199 86 E 3.6753 8.2380 117.6861 59.5814 29.2208 179.2750 87 T 3.8600 7.5911 114.7281 66.6152 68.7168 177.0894 88 K 3.8341 8.3952 120.6622 59.1096 31.8947 179.7421 89 I 3.7206 7.9290 120.3743 64.5217 37.0089 178.0809 90 D 4.1113 7.6012 118.9365 56.2965 40.5888 178.6781 91 Q 4.1329 7.4785 118.1754 58.2521 29.1021 177.7890 92 V 4.4424 7.4310 109.5081 61.8058 33.2590 174.8724 93 G 4.1151 9.3818 110.8196 44.3326 0.0000 173.5796 94 E 5.0639 9.5217 126.4660 54.5161 33.1676 173.4787 95 A 4.6056 9.0090 130.0269 50.7684 19.7257 176.3569 96 V 4.5384 8.8407 123.2332 61.2018 34.8943 175.4713 97 S 4.8562 8.7436 120.8888 57.7089 63.9105 175.0460 98 L 4.0157 8.4217 123.6486 58.0626 40.1173 179.3353 99 E 3.9829 7.8641 118.2065 59.1199 29.2540 179.0609 100 Q 4.1833 8.0005 118.1474 58.6688 28.9207 178.1989 101 A 4.0029 7.9060 121.2077 55.1676 18.1189 179.5576 102 I 3.1016 6.7610 116.4246 63.8952 37.1495 177.7015 103 E 4.1021 7.2238 118.7397 58.9965 29.6330 178.0619 104 N 4.6767 8.2977 116.0638 54.9237 40.1686 175.2314 105 N 5.1203 8.2299 118.6335 51.2599 39.3064 172.6288 106 P 4.6082 0.0000 0.0000 64.8906 32.1482 178.3829 107 E 4.1297 8.4427 117.0668 56.5080 30.1927 176.1346 108 G 3.4294 7.9727 106.7544 46.2515 0.0000 173.5933 109 S 4.5014 8.2673 111.7421 57.6201 66.0182 173.8383 110 H 4.0116 8.3836 116.8333 57.1840 25.9361 174.7490 111 V 4.9137 7.2491 115.9367 59.8446 34.8194 176.3584 112 R 4.5332 9.0990 124.7219 54.4810 32.4210 174.5395 113 V 4.4805 8.3613 126.6865 62.2006 32.0854 174.8937 114 I 4.6129 8.8073 128.8770 59.4149 40.4999 176.0127 115 R 4.1420 8.3757 125.2360 56.5503 30.3272 174.5272 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 1 S 8.33 4.44 0.00 3.99 3.95 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 2 K 8.56 4.05 0.00 1.85 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.45 1.44 7.81 3 T 8.38 4.40 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 1.21 0.00 0.00 4 N 7.97 4.54 0.00 2.80 2.68 0.00 0.00 7.26 7.71 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 5 P 0.00 4.30 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 R 8.21 3.98 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 7.99 4.00 0.00 1.76 1.66 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.86 4.18 0.00 4.06 3.89 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 9 S 7.88 4.12 0.00 4.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.99 3.89 0.00 1.81 1.88 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.84 3.68 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.09 0.92 0.00 0.00 12 A 7.86 4.05 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 13 D 8.36 4.33 0.00 2.75 2.63 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 L 8.17 3.94 0.00 1.88 2.01 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.00 4.03 0.00 2.03 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 16 S 8.17 4.12 0.00 3.98 3.99 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 17 A 7.89 4.12 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 18 A 7.83 4.19 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 19 R 7.76 4.19 0.00 1.85 2.01 0.00 3.26 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 20 S 7.76 4.33 0.00 3.93 3.93 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 21 S 7.44 4.55 0.00 4.29 3.99 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 22 G 8.40 3.95 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 23 G 7.66 4.16 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 0.00 0.00 0.00 24 A 8.04 4.62 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 25 V 7.55 3.44 1.13 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 0.74 0.00 0.00 0.54 0.00 0.00 26 W 7.79 4.72 0.00 3.41 3.12 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 27 G 8.12 3.79 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 28 D 7.74 4.39 0.00 2.99 2.79 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 29 V 8.19 3.76 2.29 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 1.04 0.00 0.00 1.10 0.00 0.00 30 A 7.95 4.05 1.42 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 31 E 7.90 4.00 0.00 2.07 2.03 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 2.35 2.40 0.00 32 R 7.61 4.14 0.00 1.96 2.05 0.00 3.16 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 33 L 7.67 4.04 0.00 1.79 1.68 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.93 4.21 0.00 2.00 2.02 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 2.49 0.00 35 K 6.83 4.32 0.00 2.09 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.60 7.81 36 P 0.00 4.38 0.00 2.15 1.95 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 37 R 8.52 3.56 0.00 1.79 1.91 0.00 3.10 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 38 R 7.84 4.00 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.67 4.11 4.26 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 40 H 7.52 4.31 0.00 3.23 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.36 4.22 1.23 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 42 E 8.73 4.90 0.00 1.81 1.87 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 0.00 2.19 2.27 0.00 43 V 8.62 4.32 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 1.00 0.00 0.00 0.93 0.00 0.00 44 N 8.50 5.31 0.00 2.71 2.95 0.00 0.00 7.63 6.74 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 L 8.56 4.16 0.00 1.87 1.74 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.16 3.74 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 47 R 7.69 3.92 0.00 1.96 2.10 0.00 3.19 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 48 I 7.67 3.90 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.74 0.97 0.00 0.00 49 E 8.04 3.96 0.00 2.00 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 2.41 2.31 0.00 50 R 7.31 3.82 0.00 1.62 1.33 0.00 2.50 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.33 0.00 51 Y 7.53 4.75 0.00 3.03 2.91 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 52 A 7.29 4.68 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 53 Q 8.05 4.68 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 54 E 8.60 4.15 0.00 1.99 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 2.44 2.34 0.00 55 D 8.86 4.41 0.00 2.82 2.75 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 56 E 7.63 4.77 0.00 2.07 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 2.22 2.27 0.00 57 T 8.63 4.27 4.31 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 1.37 0.00 0.00 58 V 8.93 4.50 2.16 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 9.23 4.79 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 1.10 0.00 0.00 1.18 0.00 0.00 60 V 9.21 4.81 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 0.99 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.84 0.00 2.19 2.12 0.00 4.01 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 62 G 7.51 3.98 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 63 K 9.84 4.97 0.00 1.70 1.57 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.33 7.81 64 V 8.13 4.74 2.12 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 1.07 0.00 0.00 0.80 0.00 0.00 65 L 9.27 4.95 0.00 1.82 1.55 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.49 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.35 4.50 0.00 3.98 3.79 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 68 G 9.00 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 0.00 0.00 0.00 0.00 69 V 7.86 4.29 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 0.82 0.00 0.00 0.93 0.00 0.00 70 L 8.40 4.79 0.00 1.59 1.52 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.42 4.46 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 72 K 8.09 4.13 0.00 1.75 1.75 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.74 7.81 73 D 8.47 5.19 0.00 2.80 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 74 V 7.80 4.51 2.12 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 0.77 0.00 0.00 1.01 0.00 0.00 75 T 8.45 4.65 4.29 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 1.27 0.00 0.00 76 V 8.80 4.75 2.30 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 1.16 0.00 0.00 1.02 0.00 0.00 77 A 10.01 5.94 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 78 A 8.38 4.84 0.54 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 79 V 8.10 3.59 2.11 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.36 4.74 0.00 2.68 2.39 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 81 F 8.67 5.45 0.00 2.89 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 82 S 8.93 4.41 0.00 3.96 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 83 G 8.95 3.77 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 84 T 7.91 4.03 4.27 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 1.23 0.00 0.00 85 A 7.96 4.02 1.52 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 86 E 8.24 3.68 0.00 2.01 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 2.17 2.01 0.00 87 T 7.59 3.86 4.38 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 1.20 0.00 0.00 88 K 8.40 3.83 0.00 2.01 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 89 I 7.93 3.72 1.79 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.12 0.92 0.00 0.00 90 D 7.60 4.11 0.00 2.69 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 91 Q 7.48 4.13 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 92 V 7.43 4.44 2.21 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 0.95 0.00 0.00 1.05 0.00 0.00 93 G 9.38 4.12 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 94 E 9.52 5.06 0.00 2.01 1.74 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 2.15 2.22 0.00 95 A 9.01 4.61 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.84 4.54 2.16 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 1.11 0.00 0.00 0.94 0.00 0.00 97 S 8.74 4.86 0.00 4.13 4.04 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 98 L 8.42 4.02 0.00 1.90 1.65 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.86 3.98 0.00 2.08 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 2.28 2.32 0.00 100 Q 8.00 4.18 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.91 4.00 1.39 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 0.00 102 I 6.76 3.10 1.55 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.20 0.63 0.00 0.00 103 E 7.22 4.10 0.00 1.95 2.02 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 2.31 0.00 104 N 8.30 4.68 0.00 2.77 2.90 0.00 0.00 6.73 8.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.23 5.12 0.00 2.90 3.08 0.00 0.00 6.87 7.81 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 0.00 106 P 0.00 4.61 0.00 2.29 2.30 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 107 E 8.44 4.13 0.00 2.02 2.06 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 2.33 2.40 0.00 108 G 7.97 3.43 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 0.00 109 S 8.27 4.50 0.00 3.96 3.83 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 0.00 110 H 8.38 4.01 0.00 3.34 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.25 4.91 1.97 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 0.42 0.00 0.00 0.87 0.00 0.00 112 R 9.10 4.53 0.00 2.02 1.81 0.00 3.12 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 113 V 8.36 4.48 2.03 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 0.82 0.00 0.00 0.86 0.00 0.00 114 I 8.81 4.61 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.36 0.98 0.00 0.00 115 R 8.38 4.14 0.00 1.69 1.70 0.00 3.25 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00