NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4073 8.3349 115.2889 58.0942 63.7805 174.4163 3 L 4.0742 7.8954 118.6133 53.2182 42.0309 175.6296 4 K 4.1678 8.0206 119.5816 57.8288 33.8136 176.6182 5 G 3.9126 8.6734 111.2152 46.1724 0.0000 172.9146 6 K 4.7265 7.6187 118.5258 54.4173 34.9121 175.7455 7 R 4.7036 9.5929 125.0525 55.4485 31.3216 175.0163 8 I 4.7598 9.0089 129.0461 59.4025 39.2885 175.6792 9 G 3.9718 8.8150 115.7191 45.9492 0.0000 172.9402 10 F 4.3946 9.0357 125.2392 56.3360 42.6480 173.3839 11 G 4.7951 8.7115 114.1917 45.2537 0.0000 171.3153 12 F 5.2968 8.6408 120.6035 55.4464 42.3268 174.2914 13 T 4.6981 8.0145 111.7034 60.1369 71.5683 173.8887 14 G 3.9017 8.8148 107.9138 44.1803 0.0000 173.1729 15 S 4.0197 8.2420 113.5641 58.5270 62.8919 175.2459 16 H 2.9166 7.7604 122.0571 57.9916 28.5721 177.2055 17 C 4.1680 7.0894 115.7864 61.3539 27.9249 174.0013 18 T 4.5972 6.4993 108.6903 61.8461 68.8956 174.9066 19 Y 5.0905 7.6617 119.6670 59.1309 40.2463 177.5110 20 E 3.9726 8.4995 120.1075 58.9595 29.6528 177.2211 21 E 4.3175 8.2830 114.0759 57.3401 30.8910 176.8220 22 V 4.5798 7.9401 113.8641 60.2780 32.2167 174.9125 *24 P 4.3665 0.0000 0.0000 62.9127 33.7967 179.5391 25 H 4.2623 8.2327 115.3626 58.2618 28.3462 177.6118 26 L 3.6775 7.7083 121.9918 58.1694 42.0188 178.5694 27 E 3.9721 8.0896 118.6031 59.0749 29.6933 178.7209 28 K 4.0051 7.9992 118.5553 59.2404 32.0546 179.2765 29 L 4.0610 7.7815 119.7556 57.7150 41.5033 179.6193 30 I 3.9216 7.6808 112.7192 64.0167 37.3818 178.1544 31 A 3.9906 8.0227 121.6559 54.3932 18.2498 178.2322 32 E 4.2923 7.7694 115.0400 56.4465 30.0741 176.9126 33 G 3.8837 8.3575 106.5801 45.9125 0.0000 172.6483 34 A 4.9495 7.5701 120.6636 50.6227 20.4503 177.4664 35 E 4.3778 9.0099 122.8674 55.4737 30.9131 175.1587 36 V 4.7859 8.5922 127.3903 61.3975 33.5811 175.0316 37 R 4.5587 8.7615 128.0896 53.6472 31.5639 173.8508 38 P 5.1792 0.0000 0.0000 62.7494 33.1698 175.7629 39 V 5.0850 9.1294 121.2791 60.2494 34.6629 174.4135 40 V 5.1048 8.8200 117.5604 59.4381 34.5576 176.2886 41 S 4.4753 8.6027 117.2404 59.0827 64.0507 173.2294 42 Y 5.1190 7.7913 118.1217 56.7360 41.0909 175.1549 43 T 3.9197 8.8682 119.3512 61.7103 67.9906 171.8203 *55 A 4.2763 7.2791 123.8838 53.0614 20.3400 176.3030 56 E 4.2995 8.6788 114.2269 58.1439 29.5352 178.3941 57 W 4.4706 8.4669 116.6301 59.8132 27.7656 178.2230 58 I 3.1589 6.2707 119.2484 63.5382 36.8515 178.1243 59 K 3.8360 7.5757 118.7223 59.1233 31.8434 179.2139 60 K 3.8621 9.4948 119.8146 59.7231 32.2482 178.8366 61 I 3.7709 7.2398 118.8349 64.6675 36.7412 178.2623 62 E 4.2775 7.8048 119.6569 58.4788 29.3418 178.5898 63 E 3.9827 8.0517 118.9964 59.7373 29.8617 178.2229 64 I 3.5427 8.1683 118.6164 64.7820 37.4571 176.7707 65 T 4.1082 7.7169 114.9583 62.3562 68.0913 174.1356 66 G 3.7591 8.4153 110.8550 44.9628 0.0000 173.5519 67 F 4.9315 7.5800 116.8616 54.8972 43.0573 174.3203 68 K 4.2703 8.7194 123.0876 56.0162 32.4695 177.0689 69 A 4.2598 9.3382 127.6569 52.0296 18.8779 177.4186 70 I 3.9057 8.5942 125.1635 61.5961 37.4567 176.3311 71 N 5.5095 8.7474 120.8995 51.4927 38.2980 174.4364 72 S 4.7347 7.7707 111.8319 56.0920 67.8012 174.1946 73 I 3.8207 8.3387 124.4151 64.7915 36.5681 178.7913 74 V 3.6998 7.9117 118.5818 66.0632 31.1169 178.1100 75 G 3.6969 8.2271 104.4064 47.2284 0.0000 174.7476 76 A 4.3650 7.8535 121.9459 53.6075 19.1089 179.1229 77 E 3.9337 7.7795 116.4640 59.0994 29.4973 177.3191 78 P 4.3832 0.0000 0.0000 64.2331 31.4383 178.0258 79 L 4.4083 7.4661 119.9914 57.0060 41.2056 178.1065 80 G 3.8294 8.2480 107.1446 45.5307 0.0000 172.5712 81 P 4.5092 0.0000 0.0000 63.2270 33.0042 177.5403 82 K 4.3635 8.1639 116.9284 57.3698 33.4133 176.7335 83 I 4.4983 7.5657 112.3540 58.0359 36.8999 172.3436 84 P 5.1724 0.0000 0.0000 62.8046 32.3993 177.3356 85 L 4.2875 8.1499 121.4716 54.6588 42.4453 176.7598 86 D 4.5156 8.9858 121.8134 57.3243 41.5769 175.7961 87 C 4.9457 7.3649 116.6642 59.5968 35.3722 172.1201 *89 V 3.9295 8.2699 115.7449 62.9674 32.8963 175.7482 90 I 4.5537 8.2139 127.3304 59.4956 40.0996 174.6351 91 A 4.7645 7.8166 129.1466 49.9407 22.2735 174.1481 92 P 4.4901 0.0000 0.0000 62.4989 33.8991 175.2938 93 L 4.7597 8.4254 123.4177 53.1295 43.0765 176.0956 94 T 4.4382 8.7379 116.9903 61.2144 69.3933 175.0869 95 G 3.7833 8.5603 110.8363 48.2326 0.0000 174.6290 96 N 4.4442 8.4146 118.4062 56.8335 39.0753 178.7776 97 S 4.1842 7.8491 114.0656 58.6115 62.5696 176.6240 *99 S 4.3725 8.2950 116.0795 58.4058 63.8948 175.7042 100 K 4.0124 8.0835 118.2920 59.3213 31.9904 178.7150 101 F 4.5581 8.6315 121.0419 61.5840 39.1136 176.9890 102 A 3.7767 8.0507 118.1818 54.7866 18.2104 178.1620 103 N 4.7335 7.7683 111.4415 51.5929 39.2509 172.6705 104 A 3.4742 7.6420 129.2991 52.1740 16.2089 177.8387 *106 T 4.2441 7.8919 114.2041 62.4248 70.1738 174.7469 107 D 4.7993 8.2787 118.8717 54.3806 39.6938 175.5792 108 S 4.6994 7.5586 112.6605 56.6428 66.1891 172.0316 109 P 4.3407 0.0000 0.0000 65.9282 31.5467 178.3635 110 V 3.6195 7.8283 117.2303 66.0142 31.6909 178.5818 111 L 3.9538 7.5618 116.1696 55.5174 41.0124 178.7321 *113 A 4.1351 8.1441 123.8335 52.2380 20.6305 179.8593 114 A 3.8222 7.9458 117.5690 54.9582 18.2192 179.5949 115 K 3.8821 8.2917 118.1984 59.8699 32.0821 178.8526 116 A 3.9867 7.9651 118.6435 54.9739 18.4822 179.3051 117 T 4.0739 7.5540 114.4191 66.6736 68.8414 177.2634 118 L 4.0557 7.9913 120.7213 57.5898 41.3138 179.2596 119 R 3.9247 8.0472 118.5487 59.1869 29.9594 177.1963 120 N 4.8358 7.8759 112.7818 52.1691 38.9446 175.3349 121 G 3.8922 7.7738 108.2595 46.3265 0.0000 173.9794 122 K 4.5613 7.7996 117.7969 53.6132 33.9259 174.6857 123 P 4.9005 0.0000 0.0000 63.0516 32.8198 175.0123 124 V 4.4363 8.9655 122.9602 61.0739 34.2614 174.0922 125 V 4.8505 8.2270 127.0661 61.0845 34.1305 173.9689 126 L 4.9285 8.7719 127.1592 52.7362 45.3942 175.5123 127 A 5.0215 8.3759 124.9422 49.7673 20.7084 175.7971 128 V 4.0182 8.1876 121.0004 62.9217 33.2564 176.0877 129 S 4.7297 8.6557 118.4411 58.0830 63.7266 172.6455 130 T 4.7952 8.1370 120.4414 60.5335 70.6384 173.3702 131 N 4.7856 8.9899 124.2821 53.4783 38.0958 174.8800 132 D 4.9118 7.8016 117.8446 53.1325 40.1225 177.4859 133 A 3.9573 8.2253 125.6006 55.6409 18.3122 179.7393 134 L 4.7113 8.2442 113.0160 54.9884 43.5069 177.9290 135 G 4.1933 7.3821 106.2184 44.6326 0.0000 177.9110 136 L 4.1057 8.6696 125.9491 57.0362 41.6433 177.3236 137 N 4.6383 8.1788 115.7399 54.7358 38.8516 176.6108 138 G 3.8336 7.6929 106.4356 47.6479 0.0000 175.5337 139 V 3.7388 7.6795 118.9983 65.5926 31.8465 177.4721 140 N 4.5163 8.0298 115.9371 56.0054 38.2876 176.9287 141 L 3.7341 7.5815 117.1136 56.5189 42.1964 177.3646 *143 R 4.3393 7.7684 117.6917 56.4242 31.5726 178.5002 144 L 3.9760 7.6578 115.9868 54.9921 40.7154 178.6651 *146 A 4.2320 7.9803 121.4457 51.8270 20.4425 177.7292 147 T 4.3180 7.8335 113.9096 61.5437 69.6988 174.5458 148 K 3.6355 8.4543 124.0386 58.6409 32.4626 176.4575 149 N 4.4276 8.9360 118.9890 53.5672 35.8067 172.9161 150 I 4.8345 6.8890 118.8473 59.6704 39.6542 174.7751 151 Y 5.1446 9.0442 123.8216 56.2326 42.1106 174.3153 152 F 5.3024 9.5138 120.7904 55.6249 41.5812 176.0155 153 V 4.2310 8.8116 117.3973 60.0296 32.2116 174.4652 154 P 4.5965 0.0000 0.0000 63.6497 32.4917 175.0928 155 F 5.2907 8.1197 117.2648 55.9739 42.1248 173.2413 156 G 4.8016 8.1787 104.4289 46.5234 0.0000 172.7374 157 Q 5.0300 8.7797 119.1169 56.0166 28.9554 177.2693 158 D 4.7076 9.0725 123.1337 54.4281 41.1803 177.3570 159 A 4.7550 7.5945 121.2433 50.1948 19.7261 174.3536 160 P 4.4223 0.0000 0.0000 64.6322 32.3159 179.0570 161 E 4.1049 8.0460 116.2677 58.6648 30.0112 177.9215 162 K 4.1882 7.9087 116.0110 58.6456 32.9605 177.7007 163 K 4.6581 8.5577 117.9409 53.6319 32.6849 174.7430 164 P 4.3987 0.0000 0.0000 64.7444 31.9783 177.5017 165 N 4.6613 8.0347 112.7663 53.2963 39.1546 174.6517 166 S 5.2862 7.9257 115.1645 57.1460 64.6516 172.6144 *168 V 4.4411 8.1189 119.7423 62.4599 32.5355 174.4792 169 A 4.8067 8.7858 129.0842 51.9869 19.2957 177.8246 170 R 4.1261 8.9076 120.7853 55.6628 31.1346 177.3645 *172 E 4.3672 8.4032 115.2171 56.3249 31.2558 176.8577 173 L 4.4795 8.0692 119.8662 54.5908 41.6551 177.8157 174 L 3.9177 7.7616 122.3489 58.4653 42.0688 178.7527 175 E 3.9830 8.1859 117.7386 59.6181 29.4974 178.8428 176 D 4.3876 8.1528 118.3005 57.7202 40.9221 178.9597 177 T 3.8211 8.0437 116.1625 66.9049 68.4471 177.2050 178 V 3.6225 7.9523 114.2167 64.1289 31.2358 178.6810 179 L 3.9342 7.7520 118.1935 57.9108 41.8079 179.0928 180 E 4.0031 8.1262 118.2508 59.1650 29.3603 179.2199 181 A 3.0622 7.8139 120.8724 54.8708 18.2048 179.6106 182 L 4.1962 7.8567 116.2323 57.1621 41.6695 178.7064 183 Q 4.4814 7.6379 116.0104 54.6446 29.1852 175.3571 184 G 4.2677 8.3328 108.1801 46.7392 0.0000 174.1102 185 K 4.6572 7.4335 116.6342 53.9990 35.8263 175.8039 186 Q 4.4997 8.6847 123.4540 54.5783 29.8534 175.3283 187 L 4.0935 8.5626 127.4415 55.3811 42.7653 175.8742 188 Q 4.8017 8.2624 123.4662 53.1284 32.0452 173.5793 189 P 4.4538 0.0000 0.0000 62.7567 32.3844 176.6377 190 V 3.9001 8.1936 119.5196 62.5760 33.2917 175.1451 191 V 4.2380 7.5240 121.0720 61.1063 32.9607 174.9132 192 V 4.4187 8.2906 120.2784 59.4618 36.5710 175.7199 193 E 4.2781 8.3409 122.1553 54.2564 27.9590 177.0500 194 K 3.9438 8.1459 124.1368 59.2549 32.6923 178.2733 195 F 4.5135 7.5443 112.3143 58.5893 37.8022 175.8739 196 R 4.2238 7.5851 119.7954 56.2881 30.3843 175.9792 197 Y 4.2798 7.8008 121.5071 58.0601 38.3583 175.3316 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 2 S 8.33 4.41 0.00 3.84 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 3 L 7.90 4.07 0.00 1.88 1.69 0.92 0.34 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 4 K 8.02 4.17 0.00 1.86 1.83 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 5 G 8.67 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 0.00 0.00 0.00 6 K 7.62 4.73 0.00 1.72 1.70 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.50 7.81 7 R 9.59 4.70 0.00 1.81 1.78 0.00 3.17 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 8 I 9.01 4.76 1.92 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 1.18 0.85 0.95 0.00 0.00 9 G 8.81 3.97 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 0.00 0.00 0.00 10 F 9.04 4.39 0.00 3.09 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 11 G 8.71 4.80 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 0.00 0.00 0.00 12 F 8.64 5.30 0.00 2.97 2.20 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 13 T 8.01 4.70 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 1.14 0.00 0.00 14 G 8.81 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 15 S 8.24 4.02 0.00 3.71 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 16 H 7.76 2.92 0.00 2.32 1.31 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.09 4.17 0.00 2.77 2.83 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 18 T 6.50 4.60 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 1.11 0.00 0.00 19 Y 7.66 5.09 0.00 2.92 2.89 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 20 E 8.50 3.97 0.00 1.97 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 0.00 2.34 2.37 0.00 21 E 8.28 4.32 0.00 2.22 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 2.40 2.48 0.00 22 V 7.94 4.58 2.34 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 1.00 0.00 0.00 1.33 0.00 0.00 *24 P 0.00 4.37 0.00 2.12 2.10 0.00 3.58 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 2.03 2.13 0.00 25 H 8.23 4.26 0.00 3.44 3.56 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.71 3.68 0.00 1.48 1.55 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.09 3.97 0.00 2.05 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 2.37 2.39 0.00 28 K 8.00 4.01 0.00 1.90 1.85 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.72 7.81 29 L 7.78 4.06 0.00 1.87 1.76 1.10 0.82 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 30 I 7.68 3.92 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 1.45 0.58 0.93 0.00 0.00 31 A 8.02 3.99 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 32 E 7.77 4.29 0.00 2.23 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 0.00 2.31 2.37 0.00 33 G 8.36 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 34 A 7.57 4.95 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 35 E 9.01 4.38 0.00 2.16 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 0.00 2.28 2.64 0.00 36 V 8.59 4.79 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 0.93 0.00 0.00 0.98 0.00 0.00 37 R 8.76 4.56 0.00 1.65 1.71 0.00 2.58 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.41 0.00 38 P 0.00 5.18 0.00 2.27 2.36 0.00 3.75 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 39 V 9.13 5.09 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 0.74 0.00 0.00 0.92 0.00 0.00 40 V 8.82 5.10 2.36 0.00 0.00 0.00 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 1.07 0.00 0.00 41 S 8.60 4.48 0.00 3.59 3.94 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 0.00 0.00 0.00 42 Y 7.79 5.12 0.00 3.29 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 43 T 8.87 3.92 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 1.36 0.00 0.00 *55 A 7.28 4.28 1.67 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 56 E 8.68 4.30 0.00 2.11 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 2.36 2.43 0.00 57 W 8.47 4.47 0.00 3.69 3.38 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 58 I 6.27 3.16 0.77 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.60 0.00 0.00 59 K 7.58 3.84 0.00 1.68 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.72 4.27 0.00 1.77 1.76 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.51 7.81 69 A 9.34 4.26 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 70 I 8.59 3.91 1.87 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 1.35 0.62 0.93 0.00 0.00 71 N 8.75 5.51 0.00 2.82 2.85 0.00 0.00 6.01 7.64 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 72 S 7.77 4.73 0.00 3.99 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 73 I 8.34 3.82 1.88 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 1.53 0.74 0.92 0.00 0.00 74 V 7.91 3.70 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 1.05 0.00 0.00 0.94 0.00 0.00 75 G 8.23 3.70 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 0.00 0.00 0.00 76 A 7.85 4.36 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.78 3.93 0.00 2.06 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 2.59 0.00 78 P 0.00 4.38 0.00 2.13 2.08 0.00 3.62 0.00 0.00 3.86 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 79 L 7.47 4.41 0.00 1.83 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.25 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 0.00 0.00 0.00 81 P 0.00 4.51 0.00 2.18 2.18 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 82 K 8.16 4.36 0.00 1.73 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.39 7.81 83 I 7.57 4.50 1.78 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 1.31 1.05 0.86 0.00 0.00 84 P 0.00 5.17 0.00 2.18 2.22 0.00 3.34 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 85 L 8.15 4.29 0.00 1.62 1.78 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.99 4.52 0.00 2.62 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 87 C 7.36 4.95 0.00 2.93 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 *89 V 8.27 3.93 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 0.12 0.00 0.00 0.74 0.00 0.00 90 I 8.21 4.55 1.55 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.13 0.72 0.00 0.00 91 A 7.82 4.76 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 92 P 0.00 4.49 0.00 2.22 2.29 0.00 3.81 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 2.53 2.24 0.00 93 L 8.43 4.76 0.00 1.73 1.58 0.87 0.55 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 94 T 8.74 4.44 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 1.30 0.00 0.00 95 G 8.56 3.78 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 0.00 0.00 0.00 96 N 8.41 4.44 0.00 2.83 2.85 0.00 0.00 7.22 7.88 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 97 S 7.85 4.18 0.00 3.93 3.80 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 *99 S 8.29 4.37 0.00 4.06 4.17 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 0.00 0.00 0.00 100 K 8.08 4.01 0.00 1.83 1.90 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.63 7.81 101 F 8.63 4.56 0.00 3.03 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 0.00 102 A 8.05 3.78 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 0.00 103 N 7.77 4.73 0.00 2.92 2.85 0.00 0.00 7.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.64 3.47 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 *106 T 7.89 4.24 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 1.24 0.00 0.00 107 D 8.28 4.80 0.00 2.83 2.81 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 0.00 108 S 7.56 4.70 0.00 3.83 3.78 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 0.00 109 P 0.00 4.34 0.00 2.19 2.17 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 110 V 7.83 3.62 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 0.79 0.00 0.00 0.96 0.00 0.00 111 L 7.56 3.95 0.00 1.82 1.67 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *113 A 8.14 4.14 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 0.00 114 A 7.95 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.29 3.88 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 116 A 7.97 3.99 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.55 4.07 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 1.27 0.00 0.00 118 L 7.99 4.06 0.00 1.75 1.74 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.05 3.92 0.00 1.87 2.11 0.00 3.24 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 120 N 7.88 4.84 0.00 2.86 2.82 0.00 0.00 7.07 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 0.00 121 G 7.77 3.89 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 138 G 7.69 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 0.00 0.00 0.00 139 V 7.68 3.74 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 0.89 0.00 0.00 0.92 0.00 0.00 140 N 8.03 4.52 0.00 3.08 2.85 0.00 0.00 6.77 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 0.00 141 L 7.58 3.73 0.00 1.70 1.79 0.63 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *143 R 7.77 4.34 0.00 1.89 2.10 0.00 3.23 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 144 L 7.66 3.98 0.00 2.25 1.88 1.05 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *146 A 7.98 4.23 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 0.00 147 T 7.83 4.32 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 1.10 0.00 0.00 148 K 8.45 3.64 0.00 1.69 1.77 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.47 7.81 149 N 8.94 4.43 0.00 2.92 3.15 0.00 0.00 6.93 7.23 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 0.00 150 I 6.89 4.83 1.92 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.88 0.00 0.00 151 Y 9.04 5.14 0.00 2.85 2.87 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 0.00 152 F 9.51 5.30 0.00 3.05 3.28 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 0.00 153 V 8.81 4.23 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 1.08 0.00 0.00 1.04 0.00 0.00 154 P 0.00 4.60 0.00 2.01 2.07 0.00 3.61 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 155 F 8.12 5.29 0.00 3.22 3.22 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 0.00 156 G 8.18 4.80 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 0.00 0.00 0.00 157 Q 8.78 5.03 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.70 0.00 0.00 0.00 0.00 0.00 2.68 2.33 0.00 158 D 9.07 4.71 0.00 2.78 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 0.00 159 A 7.59 4.76 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 0.00 160 P 0.00 4.42 0.00 1.95 1.95 0.00 3.40 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 1.27 1.82 0.00 161 E 8.05 4.10 0.00 1.91 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 2.17 2.20 0.00 162 K 7.91 4.19 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 163 K 8.56 4.66 0.00 1.82 1.69 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.40 7.81 164 P 0.00 4.40 0.00 2.04 2.12 0.00 3.72 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 165 N 8.03 4.66 0.00 2.91 2.84 0.00 0.00 6.79 7.57 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 0.00 166 S 7.93 5.29 0.00 3.94 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 *168 V 8.12 4.44 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 0.98 0.00 0.00 1.06 0.00 0.00 169 A 8.79 4.81 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 0.00 170 R 8.91 4.13 0.00 1.80 1.95 0.00 3.11 0.00 0.00 2.81 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.42 0.00 *172 E 8.40 4.37 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 173 L 8.07 4.48 0.00 1.67 1.68 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.76 3.92 0.00 1.64 1.66 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.19 3.98 0.00 2.13 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 2.45 2.53 0.00 176 D 8.15 4.39 0.00 2.86 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 0.00 177 T 8.04 3.82 4.39 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 1.30 0.00 0.00 178 V 7.95 3.62 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 0.89 0.00 0.00 0.91 0.00 0.00 179 L 7.75 3.93 0.00 1.77 1.70 0.91 0.76 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 0.00 180 E 8.13 4.00 0.00 2.02 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 2.45 2.44 0.00 181 A 7.81 3.06 1.08 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 0.00 0.00 182 L 7.86 4.20 0.00 1.70 1.72 0.89 1.19 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 0.00 183 Q 7.64 4.48 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 184 G 8.33 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 0.00 0.00 0.00 0.00 185 K 7.43 4.66 0.00 1.75 1.65 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.53 7.81 186 Q 8.68 4.50 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 187 L 8.56 4.09 0.00 1.62 1.58 0.90 0.72 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 0.00 188 Q 8.26 4.80 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 189 P 0.00 4.45 0.00 2.10 2.00 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 190 V 8.19 3.90 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 0.65 0.00 0.00 1.04 0.00 0.00 191 V 7.52 4.24 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 0.70 0.00 0.00 0.63 0.00 0.00 192 V 8.29 4.42 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 0.71 0.00 0.00 0.86 0.00 0.00 193 E 8.34 4.28 0.00 1.70 1.12 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 2.28 2.20 0.00 194 K 8.15 3.94 0.00 1.97 2.02 0.00 1.72 0.00 0.00 2.14 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.65 7.81 195 F 7.54 4.51 0.00 3.12 3.30 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 0.00 196 R 7.59 4.22 0.00 1.12 1.41 0.00 2.81 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 0.00 197 Y 7.80 4.28 0.00 2.95 2.83 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 * Residues marked with a * may have inaccurate shift predictions.