NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.3724 8.3331 119.6781 56.6080 30.1666 173.8471 9 G 3.6445 7.6958 120.4807 43.9352 0.0000 174.0169 10 Q 3.8304 9.0156 129.7484 57.0459 30.4959 173.3143 11 F 5.4810 7.4566 116.7095 55.7032 41.3507 174.5427 12 E 4.7752 9.1943 125.7796 54.4597 31.6629 175.4459 13 V 4.3024 8.3104 121.4159 60.5385 33.3504 175.1989 14 E 5.2231 8.7101 124.9831 54.6830 33.0845 173.9166 15 L 4.7670 9.2225 126.3855 52.8152 44.9516 175.1572 16 K 5.1921 8.4384 124.6451 55.1375 34.5904 174.4133 17 Y 5.2750 9.7519 124.1721 56.3005 42.7109 174.0170 18 R 4.5003 8.7566 122.1763 55.2114 31.4269 175.6947 19 V 4.3680 8.4267 127.1010 61.3393 32.4847 175.5511 20 K 4.1817 8.8778 127.0300 57.1724 32.7975 177.1446 21 N 4.7745 7.7229 117.3717 51.8514 41.1129 173.1395 22 H 4.1643 8.8521 128.7191 58.6079 29.4659 175.9123 23 D 4.4350 8.2812 119.3331 57.4765 40.9259 178.9203 24 A 4.0449 7.9301 119.9659 55.1157 18.6511 178.6996 25 F 4.2380 8.1201 117.6744 61.3697 39.7194 176.7182 26 L 4.2358 9.1964 120.6470 58.2189 42.0190 179.5684 27 N 4.3623 9.1888 115.2719 53.8786 38.5430 177.1437 *29 V 3.7601 7.8306 120.0898 61.3261 33.3130 177.3472 30 K 3.7845 8.3742 121.4433 59.0891 32.0026 176.9547 31 Q 4.5426 7.6368 115.6691 55.5383 28.7918 175.2056 32 I 4.5173 7.4837 118.1605 59.0529 40.4967 175.0661 33 E 4.1968 8.7542 125.0980 56.3910 29.6443 175.3996 34 H 5.1914 8.4627 120.4605 54.7274 31.7168 172.4620 35 E 4.7256 9.2915 118.9929 55.0979 32.1188 175.3053 36 V 4.3693 7.9777 121.3272 60.7732 35.1388 174.1558 *38 F 4.6422 8.2935 115.7418 56.7168 39.2820 174.0426 39 E 4.8326 8.3963 118.2002 55.8289 32.9820 175.0989 40 N 4.2538 9.0032 117.9829 54.4816 37.1249 174.4038 41 N 4.8179 8.1822 113.8444 52.6078 41.1815 174.1809 42 Q 4.8677 9.0389 122.2434 54.8304 31.1256 173.6791 43 E 5.0771 9.6640 128.6510 54.5696 32.2142 174.4221 44 S 5.0908 8.9590 123.1561 56.7820 65.7667 172.8696 45 D 5.3775 8.8684 123.4748 52.2212 44.8116 174.8189 46 W 5.0638 9.3219 122.4544 55.0747 32.1455 174.4743 47 F 5.0812 9.9987 125.2439 56.6643 40.1217 174.9369 48 Y 5.3537 8.6988 120.4596 56.7419 41.3619 174.0577 49 D 4.9157 8.6984 119.0176 54.2677 45.9752 175.3380 50 T 4.6606 8.2710 112.4908 59.9668 70.2767 173.8136 51 P 4.2252 0.0000 0.0000 65.7726 31.1864 177.7497 52 Q 4.2424 8.0373 112.3863 55.6841 29.1742 175.4678 53 R 4.1546 8.0179 116.9256 57.9087 28.1857 178.5461 54 T 3.8916 7.9149 115.9810 66.9742 68.6481 176.0892 55 L 4.0986 8.2834 120.2071 58.2212 41.7652 179.6037 56 T 3.9560 8.6458 115.9989 66.7307 68.1455 176.8365 57 Q 4.1369 8.0620 119.0731 58.2046 28.7701 177.5833 58 Q 4.4984 7.6075 117.1287 54.8620 29.4086 175.5390 59 G 3.8810 8.0782 108.1807 46.8287 0.0000 173.4818 60 K 5.3427 8.3983 117.4849 54.1839 36.1711 176.3399 61 S 4.8464 8.9464 115.9317 56.5958 66.7936 172.4412 62 L 5.1636 8.6996 124.1835 53.3847 44.6150 174.9803 63 V 4.9819 9.3476 125.9942 61.1562 35.3612 173.7247 64 L 5.2467 9.0770 126.9447 53.1740 44.2349 175.4775 65 R 5.2862 9.3011 123.3356 54.6801 33.9524 173.2398 66 E 5.1904 9.4047 126.0466 54.4936 33.3236 174.1011 67 I 4.8413 9.1106 127.3242 59.6657 40.1407 174.5819 68 Q 4.9334 8.7859 125.8706 53.1442 32.4771 174.3852 69 P 4.5604 0.0000 0.0000 62.8947 31.6511 176.9475 70 A 3.8994 7.9825 124.1769 53.8672 18.2244 178.9297 71 G 3.7897 8.1566 102.9424 46.4307 0.0000 172.9923 72 I 4.3039 7.4838 120.2497 59.8639 39.0772 175.1255 73 K 5.1597 8.5791 125.1755 54.7347 35.8972 175.2540 74 L 5.3829 9.4785 124.1774 52.6336 46.6717 175.1465 75 W 5.2147 8.8725 131.2589 55.8896 32.9768 174.5046 76 I 4.9766 9.5228 127.8426 59.4761 40.9483 174.7783 77 V 4.8097 8.6676 124.9233 61.2942 34.6477 174.2258 78 K 4.8541 9.2400 127.3975 55.8516 35.1634 177.3255 79 G 4.0369 9.0373 111.3936 44.0520 0.0000 171.6476 80 P 4.9253 0.0000 0.0000 64.7907 31.7615 177.2438 81 E 3.9976 8.2699 118.4548 56.1051 29.9696 177.3043 82 A 3.9689 8.7746 126.6783 55.1026 18.5497 178.0454 83 D 4.8957 8.1324 112.5841 53.0281 40.0282 174.7800 84 R 5.0569 8.2002 121.7947 55.8686 31.3893 174.9209 85 C 5.0853 9.0791 126.6413 58.2649 35.2024 172.3171 86 E 4.7667 9.1244 125.4359 54.8329 32.8649 174.7703 87 A 5.1117 7.9777 122.1459 52.6047 22.7406 175.1418 88 T 4.4566 7.8297 111.1303 61.0800 70.6290 172.5742 89 N 5.2303 8.8297 125.4474 53.3157 39.4920 174.3605 90 I 4.8183 8.4212 114.8662 59.6060 40.2264 175.4351 91 T 4.1470 8.6884 113.1377 62.6515 69.8628 175.1304 92 K 4.3679 7.5607 121.2106 53.6730 33.7515 176.1349 93 L 3.8375 8.1931 126.8539 57.9653 42.1596 178.2152 94 D 4.1559 7.8800 118.6122 56.5189 39.0760 178.5836 95 S 3.9606 7.8371 114.9149 61.1217 62.9863 175.8546 96 A 3.8459 7.5581 122.1351 55.1876 18.4719 179.3601 97 Q 3.8741 7.9896 116.5958 58.9632 28.7817 180.2857 98 S 4.0874 7.8510 111.5751 58.8878 62.1826 175.6258 *100 L 4.1899 7.9258 121.9777 54.2923 43.3749 179.1953 101 E 4.9018 7.9802 116.4140 59.0091 29.5877 179.1725 102 N 4.4660 7.9121 118.9329 53.1730 37.6875 175.3914 *104 G 3.8150 8.0425 102.1473 45.6803 0.0000 173.1333 105 Y 5.1298 8.3702 119.1180 56.7506 40.4785 174.4739 106 E 5.1891 9.4347 119.2173 54.2978 33.6857 174.9039 107 V 3.6656 8.4880 122.1013 63.3793 31.7030 175.4630 108 I 4.3157 8.4765 121.6915 60.3376 38.5144 175.4930 109 Q 4.7025 7.1078 123.2533 56.0191 31.7504 171.8509 110 C 5.4620 8.5370 119.5399 56.8837 33.1825 172.8968 111 S 4.6126 8.4840 113.4285 57.5200 66.2205 173.2784 112 K 5.2278 8.2066 119.4092 54.9500 35.8758 175.5338 113 K 4.4360 8.5185 119.3835 56.4759 36.4947 173.8011 114 I 4.9119 7.9067 121.2637 60.1588 39.0427 175.0007 115 R 5.2209 9.3981 126.6274 54.8206 34.2976 173.9143 116 S 4.8684 8.8496 118.5257 56.7808 67.3503 173.1076 117 I 4.6545 6.9552 124.0165 59.3210 39.9404 174.8960 118 F 4.9505 9.3472 124.5849 55.6299 43.3672 173.8418 119 F 5.7637 9.6190 119.6845 56.3316 42.0729 175.4890 120 V 4.6629 8.8903 122.6382 60.9777 33.1154 175.6699 121 G 4.1471 8.9547 120.2825 46.1315 0.0000 172.5737 122 E 4.1436 8.3404 122.3210 55.5329 30.2961 175.4667 123 F 4.8924 7.4093 119.8132 57.2827 40.9950 174.3166 124 H 5.6705 9.4680 119.7263 54.3648 31.5987 173.7965 125 I 4.5450 9.0433 123.0794 59.8278 40.1415 174.4708 126 T 4.9268 8.9070 124.3995 61.4866 71.3587 173.0894 127 L 4.9375 9.0648 128.5910 53.4186 44.4954 174.8271 128 D 5.6005 9.3465 126.1517 52.5403 44.9272 175.3949 129 F 5.1277 8.8861 122.3672 56.7884 42.5910 173.5198 130 L 4.3651 8.6135 127.9300 52.7807 43.0368 176.1261 131 D 3.7597 8.1680 124.2332 56.1190 41.3489 174.8291 132 G 3.4191 8.7517 114.5673 45.0986 0.0000 173.7645 133 F 4.6823 7.3952 115.0303 56.5524 40.8904 175.0507 134 G 3.8899 8.1111 106.2196 44.3175 0.0000 171.3411 135 H 5.4520 8.6113 114.6548 54.8581 30.7093 174.8148 136 F 5.3883 9.3766 120.0084 55.7303 43.4602 173.7767 137 A 5.1880 9.7152 122.1658 50.4745 22.7938 174.9586 138 E 5.3249 9.0815 120.4276 54.5588 33.5774 174.9501 139 F 5.2885 9.2420 121.7915 55.8328 42.4815 174.2768 140 A 5.2896 8.9152 123.3955 52.8113 23.4495 174.2661 141 I 4.0136 7.7647 116.6639 60.8481 41.0539 172.8077 *143 T 4.2697 8.3572 115.3286 62.8003 67.7701 174.1725 144 D 4.7726 8.7027 122.2607 55.2008 42.3185 176.8007 145 D 4.5768 7.9081 119.5176 54.0385 41.1647 175.5668 146 E 4.3610 8.6864 125.5623 56.6983 30.0767 177.3565 147 T 4.0266 8.1113 110.2592 64.1465 68.8752 174.9232 148 A 4.3405 7.6482 124.4712 52.3681 18.9198 177.8546 149 L 4.6452 8.0084 120.2272 56.5940 42.5584 176.1965 150 A 4.6717 7.7691 119.7952 53.2162 21.1702 178.6572 151 R 4.4289 7.8094 112.6778 58.9134 29.8985 178.4692 152 Y 4.3255 7.6307 116.6799 61.0339 37.7960 177.8934 153 R 4.1214 8.3381 119.0783 59.2094 29.8491 178.1214 154 E 4.0842 7.5674 118.5424 59.1178 29.8896 178.7925 155 R 3.7179 7.9254 118.2848 58.9419 29.9883 178.6061 156 L 3.6591 8.2190 119.6886 57.6282 41.5827 179.4796 157 V 3.5355 7.4228 117.9720 65.7097 31.2286 177.7034 158 A 4.0431 8.1568 119.9795 55.2212 18.5672 178.8902 159 L 3.9631 8.1901 118.6341 58.3420 42.1234 178.9132 160 A 2.8076 7.8143 120.8677 55.0582 18.1492 179.6318 161 Q 3.8925 8.1750 116.6075 59.0608 28.4502 179.1175 162 Q 3.8812 7.7726 118.4587 58.2925 28.7156 177.6643 163 F 3.9847 7.7890 116.3408 56.5415 39.8162 175.0156 164 H 3.9790 7.8853 114.2265 57.3013 25.9200 175.4037 165 L 4.7844 7.7022 118.2551 52.9771 43.8442 177.1941 166 S 4.7176 9.6971 119.7231 56.3253 65.1522 174.7374 167 E 3.4565 8.8458 121.0608 59.2756 29.3136 178.7525 168 A 4.1911 8.0386 120.0580 54.4310 18.8436 177.7407 169 D 4.7065 9.1713 116.6101 55.5472 41.6023 177.0266 170 R 3.7740 7.5287 117.9675 56.5954 30.4336 175.3911 171 E 4.6341 8.8246 123.4324 54.9004 30.8395 175.2692 172 H 4.4591 8.8221 123.5424 57.1392 29.6325 176.0521 173 R 4.0895 8.2261 119.5200 55.8981 30.3728 177.3682 174 S 4.5102 8.4219 118.9549 57.9818 65.2158 173.4186 175 Y 4.1051 8.6333 121.3041 62.1774 38.2934 178.2657 176 K 3.4587 7.7187 120.8563 59.4934 32.8724 178.8205 177 E 4.0864 7.8514 116.8137 58.1738 29.3580 177.3475 178 I 3.8150 6.5422 114.0942 61.4065 41.0695 173.2699 179 L 4.8201 7.6434 135.0000 55.6561 44.0508 173.8721 180 S 4.1961 7.6431 113.3095 56.8020 64.2812 173.2337 181 A 4.0750 7.9542 126.6734 52.5177 18.4637 176.0305 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 8 Q 8.33 4.37 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 9 G 7.70 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 9.02 3.83 0.00 1.67 0.98 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 1.54 1.92 0.00 11 F 7.46 5.48 0.00 3.12 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 12 E 9.19 4.78 0.00 1.94 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 2.24 2.28 0.00 13 V 8.31 4.30 2.18 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 0.86 0.00 0.00 1.11 0.00 0.00 14 E 8.71 5.22 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 15 L 9.22 4.77 0.00 1.88 1.48 0.99 1.04 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 16 K 8.44 5.19 0.00 1.82 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.50 7.81 17 Y 9.75 5.28 0.00 3.08 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 18 R 8.76 4.50 0.00 2.00 1.86 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.23 0.00 19 V 8.43 4.37 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 0.85 0.00 0.00 0.82 0.00 0.00 20 K 8.88 4.18 0.00 1.81 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 21 N 7.72 4.77 0.00 2.75 2.69 0.00 0.00 6.82 7.89 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 22 H 8.85 4.16 0.00 3.00 3.09 0.00 5.75 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.28 4.43 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 24 A 7.93 4.04 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 25 F 8.12 4.24 0.00 3.24 3.32 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 26 L 9.20 4.24 0.00 1.81 1.85 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 N 9.19 4.36 0.00 2.95 2.79 0.00 0.00 6.81 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 *29 V 7.83 3.76 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 0.51 0.00 0.00 0.39 0.00 0.00 30 K 8.37 3.78 0.00 1.81 2.00 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.42 7.81 31 Q 7.64 4.54 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.40 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 32 I 7.48 4.52 1.86 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.35 0.91 0.00 0.00 33 E 8.75 4.20 0.00 1.95 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 2.31 2.26 0.00 34 H 8.46 5.19 0.00 3.58 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.29 4.73 0.00 2.16 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 2.34 2.54 0.00 36 V 7.98 4.37 2.05 0.00 0.00 0.00 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 1.16 0.00 0.00 *38 F 8.29 4.64 0.00 3.10 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 39 E 8.40 4.83 0.00 1.97 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 2.07 2.19 0.00 40 N 9.00 4.25 0.00 2.85 2.92 0.00 0.00 6.97 7.78 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 41 N 8.18 4.82 0.00 2.45 2.58 0.00 0.00 6.63 7.55 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 42 Q 9.04 4.87 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 43 E 9.66 5.08 0.00 1.97 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 2.32 2.24 0.00 44 S 8.96 5.09 0.00 3.49 2.71 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 0.00 0.00 0.00 0.00 45 D 8.87 5.38 0.00 2.80 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.32 5.06 0.00 3.43 2.86 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 0.00 0.00 0.00 47 F 10.00 5.08 0.00 2.91 3.03 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 48 Y 8.70 5.35 0.00 2.69 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 49 D 8.70 4.92 0.00 2.86 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 50 T 8.27 4.66 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 0.94 0.00 0.00 51 P 0.00 4.23 0.00 2.05 2.15 0.00 3.61 0.00 0.00 3.81 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 52 Q 8.04 4.24 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 53 R 8.02 4.15 0.00 2.06 2.07 0.00 3.33 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 54 T 7.91 3.89 4.30 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 1.26 0.00 0.00 55 L 8.28 4.10 0.00 2.10 1.82 1.08 0.88 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 56 T 8.65 3.96 4.41 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 1.23 0.00 0.00 57 Q 8.06 4.14 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 58 Q 7.61 4.50 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.50 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 59 G 8.08 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 0.00 0.00 0.00 60 K 8.40 5.34 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.56 7.81 61 S 8.95 4.85 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.70 5.16 0.00 1.76 1.77 1.02 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 63 V 9.35 4.98 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 0.65 0.00 0.00 0.19 0.00 0.00 64 L 9.08 5.25 0.00 1.93 1.59 0.56 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 65 R 9.30 5.29 0.00 1.98 1.76 0.00 3.06 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 66 E 9.40 5.19 0.00 2.26 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 0.00 2.26 2.30 0.00 67 I 9.11 4.84 1.59 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.57 0.16 0.00 0.00 68 Q 8.79 4.93 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 69 P 0.00 4.56 0.00 2.15 2.12 0.00 3.72 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 1.93 1.94 0.00 70 A 7.98 3.90 1.06 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 0.00 0.00 71 G 8.16 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 72 I 7.48 4.30 1.76 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 0.93 0.00 0.00 73 K 8.58 5.16 0.00 1.86 1.67 0.00 1.59 0.00 0.00 1.96 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.44 7.81 74 L 9.48 5.38 0.00 1.55 1.54 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.87 5.21 0.00 3.30 2.96 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 76 I 9.52 4.98 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.10 0.94 0.00 0.00 77 V 8.67 4.81 1.95 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 1.12 0.00 0.00 0.89 0.00 0.00 78 K 9.24 4.85 0.00 1.77 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.37 7.81 79 G 9.04 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 0.00 0.00 0.00 80 P 0.00 4.93 0.00 2.22 2.33 0.00 3.42 0.00 0.00 4.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 81 E 8.27 4.00 0.00 2.19 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 2.45 2.41 0.00 82 A 8.77 3.97 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 83 D 8.13 4.90 0.00 2.92 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 84 R 8.20 5.06 0.00 2.08 2.01 0.00 3.25 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 85 C 9.08 5.09 0.00 2.99 2.68 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 86 E 9.12 4.77 0.00 1.70 1.56 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 2.01 2.08 0.00 87 A 7.98 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.83 4.46 4.09 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 0.00 0.00 0.00 1.17 0.00 0.00 89 N 8.83 5.23 0.00 2.67 2.75 0.00 0.00 6.75 7.45 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 90 I 8.42 4.82 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 1.05 0.00 0.00 91 T 8.69 4.15 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 1.21 0.00 0.00 92 K 7.56 4.37 0.00 1.71 1.86 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.41 7.81 93 L 8.19 3.84 0.00 1.68 1.55 0.69 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.88 4.16 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.84 3.96 0.00 3.91 3.87 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 0.00 0.00 0.00 96 A 7.56 3.85 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 7.99 3.87 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.03 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 98 S 7.85 4.09 0.00 3.87 3.86 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 0.00 0.00 0.00 *100 L 7.93 4.19 0.00 1.43 1.33 -0.24 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 110 C 8.54 5.46 0.00 2.58 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 0.00 111 S 8.48 4.61 0.00 3.83 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 0.00 112 K 8.21 5.23 0.00 1.58 1.67 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.19 1.29 7.81 113 K 8.52 4.44 0.00 1.75 1.84 0.00 0.98 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.21 1.28 7.81 114 I 7.91 4.91 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.15 1.06 0.00 0.00 115 R 9.40 5.22 0.00 1.90 1.82 0.00 3.35 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 116 S 8.85 4.87 0.00 3.77 3.26 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 0.00 117 I 6.96 4.65 0.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.13 0.75 0.00 0.00 118 F 9.35 4.95 0.00 2.98 2.99 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 0.00 119 F 9.62 5.76 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.89 4.66 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.13 0.00 0.00 121 G 8.95 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 0.00 0.00 0.00 0.00 122 E 8.34 4.14 0.00 1.70 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 123 F 7.41 4.89 0.00 3.22 3.04 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 0.00 124 H 9.47 5.67 0.00 3.10 3.28 0.00 5.55 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 0.00 125 I 9.04 4.54 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.79 0.61 0.00 0.00 126 T 8.91 4.93 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 8.61 5.45 0.00 3.37 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 9.38 5.39 0.00 2.89 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 A 9.72 5.19 1.11 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 0.00 0.00 138 E 9.08 5.32 0.00 1.82 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 2.24 2.24 0.00 139 F 9.24 5.29 0.00 3.12 2.99 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 0.00 140 A 8.92 5.29 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 0.00 141 I 7.76 4.01 2.05 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.43 0.94 0.00 0.00 *143 T 8.36 4.27 4.08 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 1.45 0.00 0.00 144 D 8.70 4.77 0.00 2.73 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 0.00 145 D 7.91 4.58 0.00 2.65 2.71 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 0.00 0.00 0.00 0.00 146 E 8.69 4.36 0.00 1.69 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 1.74 1.47 0.00 147 T 8.11 4.03 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 1.27 0.00 0.00 148 A 7.65 4.34 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.01 4.65 0.00 1.81 1.70 1.11 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.77 4.67 1.29 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 0.00 0.00 0.00 151 R 7.81 4.43 0.00 1.95 2.12 0.00 2.66 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 152 Y 7.63 4.33 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 0.00 153 R 8.34 4.12 0.00 1.99 2.18 0.00 3.26 0.00 0.00 3.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 154 E 7.57 4.08 0.00 2.36 1.96 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 2.31 2.56 0.00 155 R 7.93 3.72 0.00 1.99 1.76 0.00 3.47 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 156 L 8.22 3.66 0.00 1.86 1.72 1.12 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 157 V 7.42 3.54 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 1.08 0.00 0.00 1.03 0.00 0.00 158 A 8.16 4.04 1.27 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 0.00 0.00 0.00 159 L 8.19 3.96 0.00 1.63 1.69 1.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.81 2.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 8.18 3.89 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 162 Q 7.77 3.88 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 163 F 7.79 3.98 0.00 3.02 3.03 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 0.00 164 H 7.89 3.98 0.00 3.35 3.38 0.00 5.60 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.70 4.78 0.00 1.32 0.99 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 166 S 9.70 4.72 0.00 3.98 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 0.00 167 E 8.85 3.46 0.00 2.12 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 2.42 2.44 0.00 168 A 8.04 4.19 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 0.00 169 D 9.17 4.71 0.00 3.07 2.95 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 0.00 170 R 7.53 3.77 0.00 2.05 1.79 0.00 2.61 0.00 0.00 2.60 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.02 0.00 171 E 8.82 4.63 0.00 2.00 1.95 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 2.47 2.48 0.00 172 H 8.82 4.46 0.00 3.14 3.36 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 8.23 4.09 0.00 1.99 1.84 0.00 3.15 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 174 S 8.42 4.51 0.00 4.07 3.81 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 0.00 175 Y 8.63 4.11 0.00 2.72 2.95 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 0.00 176 K 7.72 3.46 0.00 0.97 1.63 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.03 0.75 7.81 177 E 7.85 4.09 0.00 2.03 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 2.49 0.00 178 I 6.54 3.81 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.14 0.83 0.00 0.00 179 L 7.64 4.82 0.00 1.24 1.33 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 180 S 7.64 4.20 0.00 3.64 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 0.00 181 A 7.95 4.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.