NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3143 8.1849 120.6289 54.0005 42.3367 176.2030 5 K 4.0019 8.3193 123.9061 55.6990 33.4384 174.4979 6 L 4.8442 9.4413 127.2138 54.2708 43.4676 175.2372 7 I 4.8034 8.6750 127.7575 59.8629 40.4080 174.3475 8 H 5.0711 9.1683 124.1644 54.5100 30.4148 173.9917 9 I 4.9298 8.4442 124.9525 59.3820 40.1146 174.8005 10 F 5.2410 9.3072 124.8414 55.8791 42.3783 174.3205 11 T 5.3412 8.8513 111.9644 60.6755 72.9432 172.0690 12 D 4.8163 8.9390 120.0977 53.4368 45.0980 174.2969 13 G 4.6721 8.7941 110.8072 44.7509 0.0000 172.0227 14 S 4.9029 9.2793 115.3659 56.8031 66.5167 172.3826 15 C 5.0610 8.4064 124.6327 57.9290 34.6398 173.9429 16 L 4.2272 8.8833 127.0784 55.6961 40.9165 176.3130 17 G 4.1306 9.0533 109.6712 44.4549 0.0000 171.6202 18 N 4.9224 8.0537 117.4259 51.4010 39.5283 171.7996 19 P 4.6130 0.0000 0.0000 61.4671 33.9920 174.5799 20 G 4.3375 8.4285 105.7693 45.4917 0.0000 170.7960 21 P 5.0373 0.0000 0.0000 62.5492 32.3740 175.8330 22 G 4.6308 9.1939 109.0979 45.0310 0.0000 170.8839 23 G 4.8108 9.1706 106.7267 45.3229 0.0000 171.3336 24 Y 5.5024 8.4652 117.3093 55.0409 41.9943 174.6972 25 G 4.5661 9.4475 107.1786 44.7079 0.0000 171.7245 26 I 5.3785 9.0704 123.4864 59.3809 41.8289 174.4248 27 V 4.9275 8.9911 125.4747 61.4087 34.8863 174.0116 28 M 5.3923 9.4836 126.8622 53.6626 35.7438 174.0287 29 N 5.6034 9.5097 121.0198 51.6424 42.2335 173.0673 30 Y 4.9465 8.6233 124.0263 55.5092 41.9185 174.9961 31 K 3.4329 8.7228 128.0880 57.9547 30.9792 177.2872 32 G 3.6838 8.4339 116.0195 47.3565 0.0000 172.5655 33 H 4.9106 8.3952 118.1315 54.8815 30.5051 174.0457 34 T 5.2733 8.1454 116.6277 61.9353 72.5207 173.3331 35 K 4.6666 9.4658 126.7225 54.6792 35.3966 174.4929 36 E 5.2815 8.8857 125.9247 55.1701 32.0118 175.1906 37 M 5.1113 9.0857 121.8020 54.2123 36.8451 174.1921 38 S 4.9694 8.3679 114.4131 58.6018 66.1267 172.5281 39 D 4.3207 7.1347 118.6215 53.4846 44.3881 173.8803 40 G 4.4423 7.9619 107.9932 44.4167 0.0000 171.8719 41 F 5.1078 9.0916 118.8555 55.3330 42.7543 176.3976 42 S 4.2704 9.4049 117.7383 61.0857 64.2864 173.7624 43 L 4.4735 7.7829 122.1502 54.6169 44.2377 174.4721 44 T 3.9744 8.4644 122.5789 61.6185 71.1642 172.0025 45 T 4.8471 7.9939 108.9547 59.0092 72.2587 174.0633 46 N 4.2838 8.6217 119.8637 57.0035 38.8698 176.7480 47 N 4.2355 7.9024 117.3882 56.1555 38.5452 177.4546 48 R 3.8243 7.7887 119.1749 59.6188 30.2720 179.0935 49 M 4.0989 7.9302 118.1686 58.4115 31.6961 178.6977 50 E 4.0974 8.2283 118.0838 59.2773 29.7784 178.9729 51 L 4.1522 7.9289 119.0642 57.3212 41.8137 179.0695 52 L 3.8518 8.1557 120.4913 57.5602 41.8322 178.5597 53 A 3.4425 7.7219 121.0831 54.6958 18.2738 177.9089 54 P 4.1820 0.0000 0.0000 65.7858 31.3551 178.4795 55 I 3.6747 7.5164 119.4275 64.3487 37.0294 178.4831 56 V 3.5031 8.0765 118.9567 65.8159 31.1074 177.7562 57 A 3.9734 7.8752 119.5594 55.3515 18.6105 179.3704 58 L 4.0029 8.2264 117.7630 57.9177 41.5116 179.5432 59 E 4.0960 8.3729 117.2317 58.6463 29.4210 178.5227 60 A 4.2693 7.6059 119.3919 52.5980 19.0646 177.6282 61 L 4.1000 7.1166 117.9188 54.5197 42.1438 177.7287 62 K 4.1512 8.6092 123.3290 58.6287 32.3995 176.3389 63 E 4.7208 7.6051 114.2081 53.6184 32.6819 172.6595 64 P 4.3492 0.0000 0.0000 63.0934 31.8276 175.8259 65 C 4.9402 8.9236 120.1930 57.8683 33.4130 172.3180 66 K 4.8375 8.5800 121.4361 55.1193 33.5342 175.1124 67 I 4.9560 8.7773 127.9760 59.4489 41.6369 174.5105 68 I 4.5742 8.2275 126.1385 59.4490 39.7917 174.2623 69 L 4.7556 8.2272 129.9228 53.2967 44.5094 175.0182 70 T 4.8321 8.3783 123.4870 61.7748 71.3339 173.4072 71 S 5.2131 8.4497 119.4711 55.7526 66.6531 173.2686 72 D 4.7992 8.9570 120.3260 54.1338 41.9822 175.7083 73 S 4.7230 8.4234 113.8548 57.7486 62.6286 174.6360 74 Q 3.8321 8.5555 128.1751 58.4935 28.5348 177.8673 75 Y 4.1336 8.0218 120.5820 61.0366 38.9430 177.5629 76 M 4.2182 8.4949 119.2815 58.5787 32.2884 178.0244 77 R 2.8241 7.4277 118.7710 59.0448 29.9491 178.0090 78 Q 3.2843 7.6507 119.6441 58.8256 28.7051 178.6951 79 G 3.1365 7.2424 105.7824 47.9390 0.0000 175.7837 80 I 3.5924 7.3900 121.5629 63.6635 37.0902 177.9229 81 M 4.1275 7.6071 118.1306 56.9640 32.4700 176.7659 82 T 4.3560 7.5790 110.0850 62.0920 72.5327 175.8338 83 W 3.5467 7.4121 120.8508 59.3331 28.8449 178.2982 84 I 3.5106 7.1618 119.6929 64.6916 36.3609 177.8399 85 H 4.0955 8.0045 118.4714 59.2461 29.5305 177.3829 86 G 3.4808 7.3992 106.5357 47.3056 0.0000 175.8002 87 W 4.1879 7.7665 121.5862 59.3367 28.7513 178.5814 88 K 3.3762 7.6946 118.6665 59.4286 31.3173 179.5845 89 K 4.0034 7.3220 115.3951 58.2780 31.9356 178.4541 90 K 4.5557 7.5468 118.2630 55.4005 32.4437 176.8234 91 G 3.9048 7.8920 105.8992 46.4240 0.0000 174.2656 92 W 3.3943 7.8130 116.3775 57.8710 27.3315 174.1436 93 M 5.0072 7.4530 115.3495 53.5086 34.6885 176.5997 94 T 4.3792 8.5649 112.2103 60.7427 70.5835 175.2858 95 S 4.2939 8.4124 114.3927 60.0886 63.3193 174.4005 96 N 4.5500 7.8428 117.6778 53.2997 38.4842 175.0090 97 R 3.9087 8.0885 116.8511 57.6521 28.0704 175.9638 98 T 4.7120 7.4405 105.4654 58.6217 71.9459 171.0053 99 P 4.7001 0.0000 0.0000 62.5429 32.0362 176.6667 100 V 3.4272 8.1407 123.6762 62.6905 32.6018 175.1588 101 K 3.9394 8.4426 128.6701 57.1559 32.8929 176.0086 102 N 4.4345 9.0591 123.3665 54.3551 36.2311 176.5165 103 V 3.6327 7.5218 122.0269 65.1339 30.4876 177.2533 104 D 4.1995 7.9848 119.0160 56.3893 39.0636 178.5839 105 L 3.9800 7.6805 119.8232 56.9705 41.8813 179.1355 106 W 4.5880 8.3244 119.0852 59.7975 29.0198 178.6939 107 K 3.7211 8.1192 118.6458 59.5319 31.4413 179.6065 108 R 3.9661 7.8281 117.8849 59.0090 29.8179 178.9978 109 L 4.0435 8.2410 120.3030 58.1653 42.2503 178.4154 110 D 4.5176 8.4672 118.0455 57.3316 40.9995 178.1423 111 K 3.9755 8.0540 118.4996 59.6280 32.6522 178.3615 112 A 4.1846 8.2078 120.8779 55.0996 18.2242 179.4813 113 A 4.1725 8.6345 119.6864 55.3580 18.2612 179.7336 114 Q 4.1495 8.0617 115.5246 58.3693 28.8276 177.9294 115 L 4.3911 7.6339 117.8563 54.5865 42.2158 175.3061 116 H 4.9783 7.4315 114.8727 53.8282 33.2219 172.8672 117 Q 4.4351 8.8968 121.2666 55.1313 29.8279 174.1178 118 I 4.6096 8.2691 127.2532 59.4211 40.1805 175.2366 119 D 4.6934 8.8900 127.2759 52.2288 41.9274 174.5881 120 W 4.4953 8.5127 125.4860 56.3048 30.1023 176.0388 121 R 4.5170 8.6902 122.9500 53.9502 33.9536 174.3987 122 W 5.3688 8.2873 120.5152 54.6226 32.4594 175.2472 123 V 3.7477 8.9519 126.0944 62.7678 31.7160 175.9873 124 K 4.1283 9.2901 128.5258 56.4868 31.4117 175.8677 125 G 4.4745 8.1897 115.6191 45.4872 0.0000 171.5469 126 H 4.8872 8.2482 121.1479 53.3553 29.2668 173.6979 127 A 4.5711 8.8259 135.0000 51.4465 18.0842 176.3641 128 G 4.0332 7.4394 110.6668 44.2433 0.0000 171.5111 129 H 4.5463 8.4825 115.7544 54.6102 29.9975 176.3959 130 A 3.9810 8.5584 122.6232 55.7392 17.8925 179.8891 131 E 3.7340 7.7913 116.2114 59.4787 29.4102 179.1902 132 N 4.5040 7.9742 116.1776 55.9838 38.5519 177.3323 133 E 3.9766 8.0055 119.7620 59.4237 29.6780 179.0400 134 R 3.8754 7.9626 118.6665 59.5614 30.0830 178.0824 135 C 4.1024 8.4194 116.8777 63.0696 28.2186 175.5920 136 D 4.9692 7.9147 120.2525 57.0367 40.7788 178.4018 137 Q 4.0179 8.2516 118.4229 59.0288 28.7240 178.8292 138 L 4.0061 8.1673 119.8328 57.4990 41.5609 179.4458 139 A 4.0110 8.5006 121.1937 55.3939 18.4295 179.9911 140 R 3.8561 8.1822 116.4011 59.0689 29.9372 179.1472 141 A 3.9501 8.0553 120.4736 55.2976 18.2254 179.6574 142 A 3.8640 7.7279 117.5616 55.1152 18.4678 179.4531 143 A 4.2012 8.0711 118.8254 55.0813 18.5248 179.2039 144 E 4.1644 8.1618 115.5735 58.0632 29.7862 177.3727 145 A 4.3072 7.5957 120.7210 52.9693 20.9472 177.1680 146 N 4.0434 8.2903 114.3804 55.0619 36.1577 173.2276 147 P 4.3387 0.0000 0.0000 63.1757 32.3805 176.9750 148 T 4.4182 8.0678 108.9185 61.4728 70.6277 174.4293 149 Q 3.9826 7.7265 124.7065 56.0763 29.5668 174.8732 150 I 4.2673 8.2461 126.2982 60.9084 38.1869 175.5113 151 D 4.6727 8.8025 125.5089 53.4718 39.9074 176.5090 152 T 4.1230 8.4598 116.8915 63.2784 69.2673 175.7599 153 G 3.8906 7.6879 109.6282 44.7596 0.0000 172.9699 154 Y 4.3217 7.7529 122.1044 57.0085 39.2382 174.6770 155 Q 4.1480 7.8877 125.8016 53.7418 30.5759 175.3187 156 A 3.9647 7.8711 123.7932 53.4212 18.8672 178.0979 157 E 3.8883 8.7651 118.1554 56.6434 29.4756 174.4040 158 S 4.3130 7.5020 116.6444 59.0143 62.3396 173.3212 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 4 L 8.18 4.31 0.00 1.63 1.72 0.91 0.59 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 5 K 8.32 4.00 0.00 1.66 1.72 0.00 1.25 0.00 0.00 1.71 0.00 0.00 2.56 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.56 1.44 7.81 6 L 9.44 4.84 0.00 1.65 1.65 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.68 4.80 1.77 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.97 0.96 0.00 0.00 8 H 9.17 5.07 0.00 3.15 3.14 0.00 5.57 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.44 4.93 1.62 0.00 0.00 0.72 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 0.59 0.83 0.00 0.00 10 F 9.31 5.24 0.00 3.03 2.97 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 0.00 0.00 0.00 0.00 11 T 8.85 5.34 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 1.22 0.00 0.00 12 D 8.94 4.82 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.28 4.90 0.00 3.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.41 5.06 0.00 2.96 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 16 L 8.88 4.23 0.00 1.64 1.61 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.05 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.05 4.92 0.00 2.65 2.67 0.00 0.00 6.97 7.69 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 19 P 0.00 4.61 0.00 1.82 1.80 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 20 G 8.43 4.34 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 0.00 21 P 0.00 5.04 0.00 2.33 2.19 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.81 0.00 22 G 9.19 4.63 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 0.00 0.00 0.00 23 G 9.17 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.47 5.50 0.00 3.18 3.11 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 0.00 0.00 0.00 0.00 25 G 9.45 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.07 5.38 2.02 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 1.18 1.00 0.98 0.00 0.00 27 V 8.99 4.93 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 1.07 0.00 0.00 0.95 0.00 0.00 28 M 9.48 5.39 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 29 N 9.51 5.60 0.00 2.73 2.75 0.00 0.00 6.02 7.02 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 30 Y 8.62 4.95 0.00 3.03 2.88 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 31 K 8.72 3.43 0.00 1.34 0.86 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.60 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.94 0.21 7.81 32 G 8.43 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.40 4.91 0.00 3.30 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.15 5.27 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 1.30 0.00 0.00 35 K 9.47 4.67 0.00 1.78 1.65 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 36 E 8.89 5.28 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 37 M 9.09 5.11 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 38 S 8.37 4.97 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.13 4.32 0.00 2.57 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.44 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 0.00 41 F 9.09 5.11 0.00 2.98 2.92 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 0.00 0.00 0.00 42 S 9.40 4.27 0.00 3.89 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.78 4.47 0.00 1.64 1.63 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.46 3.97 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 1.24 0.00 0.00 45 T 7.99 4.85 4.15 0.00 0.00 0.00 0.00 0.00 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 46 N 8.62 4.28 0.00 2.83 2.81 0.00 0.00 6.89 6.71 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 47 N 7.90 4.24 0.00 2.52 2.30 0.00 0.00 7.14 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.79 3.82 0.00 1.94 1.86 0.00 3.39 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 49 M 7.93 4.10 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.87 0.00 50 E 8.23 4.10 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 51 L 7.93 4.15 0.00 1.66 1.47 -0.25 -0.06 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 52 L 8.16 3.85 0.00 1.65 1.54 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.72 3.44 1.43 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 54 P 0.00 4.18 0.00 2.47 2.46 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 55 I 7.52 3.67 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.91 0.00 0.00 56 V 8.08 3.50 1.88 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 1.05 0.00 0.00 0.83 0.00 0.00 57 A 7.88 3.97 1.31 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 0.00 0.00 0.00 58 L 8.23 4.00 0.00 1.73 1.73 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.37 4.10 0.00 2.02 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 2.36 2.42 0.00 60 A 7.61 4.27 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 61 L 7.12 4.10 0.00 1.78 1.58 0.67 0.85 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 62 K 8.61 4.15 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.41 7.81 63 E 7.61 4.72 0.00 1.99 1.86 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 0.00 2.13 2.29 0.00 64 P 0.00 4.35 0.00 1.93 2.16 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 65 C 8.92 4.94 0.00 2.77 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 66 K 8.58 4.84 0.00 1.81 1.63 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.34 7.81 67 I 8.78 4.96 1.59 0.00 0.00 0.55 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 0.44 0.63 0.00 0.00 68 I 8.23 4.57 1.62 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.48 0.73 0.00 0.00 69 L 8.23 4.76 0.00 1.10 0.75 0.57 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.38 4.83 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 1.27 0.00 0.00 71 S 8.45 5.21 0.00 3.91 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.96 4.80 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.42 4.72 0.00 4.09 4.02 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 0.00 0.00 0.00 74 Q 8.56 3.83 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 75 Y 8.02 4.13 0.00 3.08 3.02 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 0.00 0.00 0.00 76 M 8.49 4.22 0.00 2.51 2.21 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.80 0.00 77 R 7.43 2.82 0.00 0.67 1.22 0.00 2.21 0.00 0.00 2.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 78 Q 7.65 3.28 0.00 1.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 79 G 7.24 3.14 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 80 I 7.39 3.59 1.43 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 -0.26 0.28 0.00 0.00 81 M 7.61 4.13 0.00 1.75 1.82 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 82 T 7.58 4.36 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 0.68 0.00 0.00 83 W 7.41 3.55 0.00 2.09 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 0.00 0.00 0.00 84 I 7.16 3.51 1.85 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.56 1.06 0.00 0.00 85 H 8.00 4.10 0.00 3.11 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.40 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.77 4.19 0.00 2.72 1.98 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 88 K 7.69 3.38 0.00 1.69 1.76 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.54 1.06 7.81 89 K 7.32 4.00 0.00 1.83 1.79 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.29 7.81 90 K 7.55 4.56 0.00 1.69 1.78 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.56 7.81 91 G 7.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 W 7.81 3.39 0.00 3.44 3.08 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 0.00 0.00 0.00 0.00 93 M 7.45 5.01 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.80 0.00 94 T 8.56 4.38 4.23 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 1.12 0.00 0.00 95 S 8.41 4.29 0.00 4.00 4.02 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 0.00 0.00 0.00 96 N 7.84 4.55 0.00 2.66 2.88 0.00 0.00 7.00 8.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.09 3.91 0.00 1.95 2.05 0.00 3.09 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 98 T 7.44 4.71 4.21 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 1.24 0.00 0.00 99 P 0.00 4.70 0.00 1.90 1.97 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 100 V 8.14 3.43 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 -0.25 0.00 0.00 101 K 8.44 3.94 0.00 1.83 1.81 0.00 2.02 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.51 7.81 102 N 9.06 4.43 0.00 3.06 2.77 0.00 0.00 6.87 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.52 3.63 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 0.77 0.00 0.00 0.60 0.00 0.00 104 D 7.98 4.20 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.68 3.98 0.00 1.46 1.56 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 W 8.32 4.59 0.00 3.35 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.12 3.72 0.00 1.53 1.58 0.00 1.17 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 108 R 7.83 3.97 0.00 2.01 1.98 0.00 3.09 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 109 L 8.24 4.04 0.00 1.95 2.08 1.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.47 4.52 0.00 3.21 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 0.00 111 K 8.05 3.98 0.00 1.86 1.87 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.50 7.81 112 A 8.21 4.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.63 4.17 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.06 4.15 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.80 2.64 0.00 115 L 7.63 4.39 0.00 1.41 1.54 0.92 0.92 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 0.00 116 H 7.43 4.98 0.00 2.89 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.90 4.44 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 118 I 8.27 4.61 1.63 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.69 -0.43 0.00 0.00 119 D 8.89 4.69 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.51 4.50 0.00 3.37 3.10 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 0.00 0.00 0.00 0.00 121 R 8.69 4.52 0.00 1.36 1.63 0.00 3.21 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.60 0.00 122 W 8.29 5.37 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.95 3.75 2.24 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 0.82 0.00 0.00 1.04 0.00 0.00 124 K 9.29 4.13 0.00 1.93 1.82 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.52 7.81 125 G 8.19 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 H 8.25 4.89 0.00 3.23 3.43 0.00 5.70 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 0.00 127 A 8.83 4.57 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.44 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 0.00 129 H 8.48 4.55 0.00 3.16 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.56 3.98 1.25 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 0.00 0.00 0.00 131 E 7.79 3.73 0.00 1.16 1.17 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 1.80 2.10 0.00 132 N 7.97 4.50 0.00 3.04 2.96 0.00 0.00 6.89 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.01 3.98 0.00 2.22 1.99 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 2.41 2.31 0.00 134 R 7.96 3.88 0.00 1.89 2.06 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 135 C 8.42 4.10 0.00 3.23 3.08 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 0.00 0.00 0.00 0.00 136 D 7.91 4.97 0.00 2.88 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.25 4.02 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 138 L 8.17 4.01 0.00 1.92 1.71 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.50 4.01 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 0.00 140 R 8.18 3.86 0.00 1.94 2.00 0.00 3.16 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 141 A 8.06 3.95 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 0.00 142 A 7.73 3.86 1.26 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 0.00 0.00 0.00 143 A 8.07 4.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.16 4.16 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 145 A 7.60 4.31 1.26 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 0.00 0.00 0.00 146 N 8.29 4.04 0.00 2.77 2.79 0.00 0.00 7.16 8.02 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 0.00 147 P 0.00 4.34 0.00 2.06 1.95 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 148 T 8.07 4.42 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 1.19 0.00 0.00 149 Q 7.73 3.98 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.15 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 150 I 8.25 4.27 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 1.01 0.00 0.00 151 D 8.80 4.67 0.00 2.62 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 0.00 152 T 8.46 4.12 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 1.26 0.00 0.00 153 G 7.69 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 0.00 0.00 0.00 154 Y 7.75 4.32 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 7.89 4.15 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 156 A 7.87 3.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.77 3.89 0.00 2.10 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 2.15 2.28 0.00 158 S 7.50 4.31 0.00 3.86 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