NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3080 8.3231 115.2868 58.0921 63.2417 175.5653 3 G 3.7723 5.3800 109.3967 43.2429 0.0000 172.5507 4 F 4.4469 8.3627 121.3158 58.5695 40.9928 172.8788 5 S 4.2263 6.3625 117.4033 56.0693 66.4127 175.6977 6 A 3.6029 8.0177 124.2741 55.2869 18.0559 179.8420 7 E 3.9055 7.9085 116.4812 59.5081 29.6182 179.5740 8 K 3.8903 7.7970 118.4709 59.4132 31.8548 178.4508 9 Y 4.3638 7.5008 118.7842 61.2564 38.7227 178.1870 10 E 4.1028 8.2633 117.6820 59.3791 29.6054 179.0995 11 Q 4.0956 7.7315 117.1446 57.3354 29.0082 176.8096 12 I 3.8362 6.8318 120.8773 60.7894 37.9326 175.3645 13 Q 4.2739 7.9257 122.5862 53.3621 32.5581 174.7597 14 F 4.0650 7.9539 119.4252 59.0941 39.3736 175.5229 15 G 4.0820 7.9790 113.4087 45.6388 0.0000 174.2012 16 M 4.3225 7.5944 119.4483 55.5413 32.6713 176.2399 17 T 5.0228 8.6499 113.7844 60.5465 71.1235 175.4872 18 F 3.0479 8.5633 123.2862 61.6456 39.1124 177.1140 19 D 4.4925 8.1908 117.6390 57.3489 40.6874 178.4773 20 E 3.9641 8.3213 119.1491 59.4065 29.4451 179.6208 21 V 3.3859 7.9505 118.3396 65.5750 31.5312 177.6690 22 W 4.0002 8.2528 128.5436 60.4191 30.2919 177.5379 23 E 3.9007 8.4417 119.0625 59.4513 28.9440 178.8766 24 I 3.7736 7.5713 118.5260 64.3363 37.2546 178.5392 25 G 3.8513 8.1037 105.8184 46.2062 0.0000 173.9238 26 G 3.8658 8.2395 107.3386 44.3533 0.0000 176.1722 27 G 2.8562 7.8174 109.1352 45.2826 0.0000 175.0948 28 E 4.0062 8.8549 116.9041 59.5785 29.7643 179.2191 29 A 4.1815 8.0117 119.7206 54.1020 18.4902 177.6619 30 A 4.6140 7.3824 117.6396 52.2814 20.8953 175.0336 31 C 5.1188 7.7749 111.3869 55.3764 45.6949 173.1894 32 D 5.3762 9.2499 118.8802 53.4307 45.2682 174.5219 33 T 5.0604 8.4227 114.2511 61.7312 71.5147 174.6304 34 G 3.8575 9.1282 113.1079 46.1179 0.0000 174.2670 35 G 3.8042 8.4714 108.2365 46.6827 0.0000 176.4806 36 V 3.7809 8.4204 113.9361 63.8819 31.8274 177.4965 37 I 3.8540 8.0529 121.2284 61.9599 38.0933 177.1904 38 G 4.0210 7.9659 109.6111 46.4329 0.0000 175.2456 39 D 4.4487 8.8336 121.1874 56.2939 41.1030 176.3469 40 S 5.1364 7.6128 115.6091 57.9950 64.7791 173.2148 41 I 5.1153 8.9039 120.1496 59.8930 40.8953 174.9388 42 L 4.9710 9.0228 126.8204 53.4762 45.5141 174.3891 43 C 5.2755 8.6263 122.6566 53.9442 43.7159 172.8906 44 F 5.5381 8.8373 121.8647 56.1539 40.3076 176.1348 45 T 4.3670 9.2941 112.7556 63.1886 69.3579 174.2612 46 E 4.7516 7.8482 119.5572 54.5797 33.6805 174.5876 47 S 4.2303 8.3741 116.8666 58.6769 63.8783 174.6206 48 G 3.8689 8.2946 108.7890 44.9728 0.0000 172.8224 49 D 4.2455 8.1365 117.4524 55.0559 41.3320 176.3279 50 Y 4.3038 8.2400 116.8533 58.8842 35.6865 170.7217 51 A 4.3276 7.4226 121.2853 51.7637 19.2078 176.8128 52 P 5.0605 0.0000 0.0000 63.1324 32.8220 175.0067 53 Y 5.1286 8.1012 119.3667 55.9019 41.9050 173.5772 54 G 4.0551 8.9571 107.2998 44.2204 0.0000 172.1536 55 G 4.1990 8.5634 109.9869 43.8744 0.0000 171.8114 56 F 5.1802 8.8156 121.4624 55.4676 43.0437 174.1806 57 S 5.0633 8.1688 118.6036 56.5985 66.5747 173.0726 58 F 5.6958 8.9005 120.1449 55.8476 42.4475 175.3213 59 T 4.4283 9.3668 112.8250 61.0291 69.6938 175.2722 60 D 4.4834 8.6480 120.6474 56.8340 40.7558 177.3551 61 E 4.3460 8.3658 116.7826 56.2183 30.0007 176.6695 62 G 4.0381 8.9718 108.4972 45.5478 0.0000 172.6302 63 E 5.1729 8.1183 118.9164 53.8170 31.7009 175.1651 64 L 4.1306 8.8927 126.1053 55.0863 42.6246 176.9977 65 W 4.7489 8.8128 122.4881 56.3138 30.9207 175.2388 66 S 4.8347 7.0474 115.2091 56.3476 65.3468 172.4321 67 K 5.0311 9.2019 126.1753 54.5789 35.4099 175.3466 68 R 5.1968 8.5031 119.4777 55.0839 33.3036 173.3634 69 N 4.6052 8.1373 115.8661 52.4926 40.8221 173.4504 70 E 3.8884 6.2890 118.0632 55.4808 33.0279 176.4798 71 Y 3.8901 8.3406 119.5642 58.2445 35.5689 171.1213 72 L 3.7763 7.3993 120.5617 56.7112 41.8297 176.9203 73 Y 4.8340 7.1141 111.6449 55.8209 41.2422 174.8387 74 K 4.7112 8.4675 121.0915 54.0245 34.9718 176.2419 75 A 4.1294 8.5963 125.3511 52.2425 19.0190 177.6527 76 K 4.1233 8.8027 123.3487 59.4193 32.5409 177.7619 77 T 4.5138 8.1628 117.1683 60.3689 69.1176 169.4048 78 P 4.4463 0.0000 0.0000 62.4921 31.7016 176.9074 79 S 4.5896 8.7635 115.6314 58.6561 66.3130 175.7921 80 V 3.8641 7.8302 121.4919 61.9107 31.9907 175.9816 81 K 4.8380 8.6485 120.8769 54.0578 36.5655 177.1071 82 L 4.0315 8.6544 123.2445 58.4073 41.6711 179.3797 83 S 4.0903 8.0446 111.9097 61.7225 62.6048 175.4879 84 H 4.3712 8.0910 118.1525 59.1697 28.6086 176.8419 85 Y 4.2412 8.1429 121.2501 60.9573 38.4174 177.6827 86 N 4.5839 8.5710 115.3341 54.7395 38.5832 176.2805 87 R 4.5694 7.6272 119.3066 55.0721 31.3759 175.5077 88 T 4.4620 6.8447 108.1268 60.0652 71.5434 173.2793 89 A 4.4450 7.7533 122.5006 50.6883 21.9518 176.0522 90 L 4.1862 8.3482 121.3597 56.7995 42.0933 177.9928 91 G 4.0092 8.9704 112.0598 45.3192 0.0000 174.0258 92 M 4.2714 7.5752 117.2255 55.1066 31.9379 176.2551 93 T 4.4954 8.8990 112.0129 61.0764 71.3109 175.3948 94 E 3.5579 8.7147 122.1701 59.2929 29.6704 178.8909 95 A 4.0250 7.9388 120.1599 55.4110 18.5523 179.4137 96 Q 3.8624 8.0092 116.3804 58.8575 28.7283 178.7409 97 L 3.4325 7.7501 121.5188 57.8960 41.8408 178.8096 98 W 4.9276 7.7289 116.5952 57.5885 29.1937 177.7954 99 A 4.2004 7.6930 120.1287 54.1766 18.0921 178.7651 100 A 4.2245 7.5610 118.3805 52.4556 19.7096 177.8000 101 V 4.2189 7.4785 116.8129 60.0348 34.3390 172.8249 102 P 4.4528 0.0000 0.0000 62.0097 31.5248 176.9638 103 K 3.4841 8.5974 125.5959 58.9727 32.2573 177.9548 104 D 4.3993 7.8774 117.4132 56.1058 41.0778 176.9726 105 S 4.8486 8.3859 113.6668 57.7589 62.4464 172.1007 106 C 5.6914 8.0051 115.1227 55.9873 43.7031 173.3560 107 V 4.7145 8.9263 113.1162 59.6996 36.4658 174.4170 108 S 4.4153 8.4401 116.9659 58.1748 62.9719 173.5802 109 Q 4.5338 9.7756 125.1030 54.4561 30.0438 175.2760 110 G 4.6928 6.7998 111.8041 46.4148 0.0000 171.7616 111 E 5.2811 8.5099 120.1114 54.8221 34.4709 174.6314 112 S 4.7592 8.6039 115.9630 57.6407 67.1730 172.9254 113 Y 4.9767 9.0179 120.8323 55.7315 37.8485 174.7540 114 P 4.2414 0.0000 0.0000 64.4523 31.8701 177.2540 115 N 4.8492 8.1505 113.8996 52.2761 38.9206 174.2917 116 W 4.4108 8.3832 127.9740 56.8102 30.8923 174.3402 117 P 2.0000 0.0000 0.0000 62.6897 31.2628 176.4461 118 A 3.9021 7.4632 123.0787 52.5417 18.8051 177.7640 119 K 4.6078 8.2484 119.2807 56.1319 32.7647 176.9551 120 T 4.1164 7.7508 109.7651 62.6949 69.3309 174.1675 121 G 3.8766 9.3783 111.5107 46.3634 0.0000 173.4734 122 F 4.3463 8.4325 122.6630 58.3364 40.3998 173.2446 123 E 4.8995 8.6861 127.5104 54.2993 32.1528 174.2276 124 E 4.7465 8.9019 125.8667 54.2863 33.3648 174.8475 125 K 4.8691 8.8276 123.5439 54.8784 34.9015 174.6695 126 Y 5.3398 9.5123 123.3958 56.4052 41.1281 174.1612 127 Y 5.2893 9.4223 124.3139 56.1338 41.9771 173.4158 128 C 5.5512 9.6967 124.5292 54.3253 42.1864 172.9737 129 A 4.4663 8.1761 126.1264 51.1603 19.4287 177.5671 130 A 4.3482 8.8945 123.0490 53.5177 19.2281 177.1454 131 A 4.4920 7.5414 116.2190 50.8632 22.0578 175.6487 132 T 4.0599 8.1034 110.4688 61.7105 69.7676 174.2103 133 G 3.7773 8.4908 107.7156 44.2533 0.0000 172.5567 134 L 3.8933 8.0298 117.8998 55.2796 42.8217 177.0156 135 F 3.8457 7.8661 120.1501 58.0532 36.4006 173.2993 136 P 4.6758 0.0000 0.0000 61.6463 32.9263 175.7318 137 P 4.6997 0.0000 0.0000 63.6072 32.5249 175.5212 138 S 5.0174 8.7947 115.5472 57.5586 66.9453 172.7135 139 A 5.0055 8.8436 121.4471 50.1512 22.6047 175.2195 140 S 5.3122 8.8333 115.5757 56.8248 66.8462 173.5077 141 F 5.5517 9.4257 121.3262 56.3526 43.1534 173.2444 142 H 5.6921 9.7406 120.8979 54.1072 31.7322 173.0763 143 L 5.2486 9.1752 122.6128 53.3291 44.8055 175.5643 144 T 4.8038 8.8214 119.3192 62.2484 71.6950 174.3114 145 D 4.2760 9.8950 128.8397 55.5267 39.2965 174.6529 146 G 3.9757 8.2685 102.8357 45.9688 0.0000 173.0350 147 V 4.6485 7.4587 118.7129 60.0231 34.2237 174.4062 148 L 4.6368 9.1217 129.6175 55.7768 42.3541 176.9020 149 T 4.6677 9.0059 116.2679 61.7558 70.3731 173.6315 150 Y 5.0681 7.7895 123.4498 56.5013 42.4262 173.3353 151 R 5.0123 7.6602 121.5090 54.9441 32.8055 173.4806 152 Y 4.8441 8.5663 121.9924 56.3402 42.7302 173.3279 153 Q 4.6948 7.1636 121.5945 54.1378 32.2913 174.3606 154 R 4.1977 8.4067 117.3790 55.1013 32.0639 175.6683 155 S 3.7184 8.8801 118.4697 58.8766 60.3267 171.3678 156 L 4.1266 8.1024 120.2524 55.2516 42.1111 177.5191 157 T 4.1751 8.3176 116.4591 63.8122 68.8198 174.4932 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 8.32 4.31 0.00 3.84 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 3 G 5.38 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 4 F 8.36 4.45 0.00 2.89 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 6.36 4.23 0.00 3.83 3.72 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 6 A 8.02 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.91 3.91 0.00 1.98 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 2.36 2.45 0.00 8 K 7.80 3.89 0.00 1.58 1.86 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.33 7.81 9 Y 7.50 4.36 0.00 2.82 3.19 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 0.00 0.00 0.00 10 E 8.26 4.10 0.00 2.16 2.04 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 2.55 2.77 0.00 11 Q 7.73 4.10 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 12 I 6.83 3.84 1.71 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.33 0.31 0.00 0.00 13 Q 7.93 4.27 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.08 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 14 F 7.95 4.07 0.00 2.87 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 0.00 0.00 0.00 0.00 15 G 7.98 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 0.00 0.00 0.00 0.00 16 M 7.59 4.32 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 17 T 8.65 5.02 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 1.28 0.00 0.00 18 F 8.56 3.05 0.00 2.31 2.73 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 19 D 8.19 4.49 0.00 2.78 2.77 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 20 E 8.32 3.96 0.00 2.26 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 2.34 2.34 0.00 21 V 7.95 3.39 2.25 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 0.52 0.00 0.00 0.92 0.00 0.00 22 W 8.25 4.00 0.00 3.02 3.06 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 23 E 8.44 3.90 0.00 2.19 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 0.00 2.32 2.39 0.00 24 I 7.57 3.77 1.75 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 1.40 0.68 0.92 0.00 0.00 25 G 8.10 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.24 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 0.00 0.00 0.00 27 G 7.82 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 0.00 0.00 0.00 28 E 8.85 4.01 0.00 2.09 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 0.00 2.76 2.44 0.00 29 A 8.01 4.18 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 30 A 7.38 4.61 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 31 C 7.77 5.12 0.00 1.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.25 5.38 0.00 2.63 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 33 T 8.42 5.06 4.55 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 1.16 0.00 0.00 34 G 9.13 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 0.00 0.00 0.00 35 G 8.47 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 0.00 0.00 0.00 36 V 8.42 3.78 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 0.94 0.00 0.00 37 I 8.05 3.85 2.12 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 1.24 0.71 1.07 0.00 0.00 38 G 7.97 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 0.00 0.00 0.00 39 D 8.83 4.45 0.00 2.82 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 40 S 7.61 5.14 0.00 4.02 4.10 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 41 I 8.90 5.12 2.21 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 1.07 0.00 0.00 42 L 9.02 4.97 0.00 1.61 1.39 0.49 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.63 5.28 0.00 1.25 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 44 F 8.84 5.54 0.00 2.93 3.15 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 45 T 9.29 4.37 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 46 E 7.85 4.75 0.00 1.98 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 2.23 2.37 0.00 47 S 8.37 4.23 0.00 3.83 3.76 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 0.00 0.00 0.00 48 G 8.29 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 0.00 0.00 0.00 49 D 8.14 4.25 0.00 2.60 1.84 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 50 Y 8.24 4.30 0.00 3.12 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 51 A 7.42 4.33 1.55 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 0.00 0.00 52 P 0.00 5.06 0.00 2.13 2.04 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 53 Y 8.10 5.13 0.00 2.34 2.26 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 54 G 8.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.56 4.20 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 0.00 56 F 8.82 5.18 0.00 2.94 2.61 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 57 S 8.17 5.06 0.00 3.05 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 58 F 8.90 5.70 0.00 3.14 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 59 T 9.37 4.43 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 1.58 0.00 0.00 60 D 8.65 4.48 0.00 2.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.37 4.35 0.00 2.07 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 2.33 2.41 0.00 62 G 8.97 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 63 E 8.12 5.17 0.00 2.32 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 2.57 2.43 0.00 64 L 8.89 4.13 0.00 1.70 1.39 0.44 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.81 4.75 0.00 3.92 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 66 S 7.05 4.83 0.00 2.72 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 67 K 9.20 5.03 0.00 1.61 1.43 0.00 0.78 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.22 0.92 7.81 68 R 8.50 5.20 0.00 1.69 1.80 0.00 2.73 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 69 N 8.14 4.61 0.00 2.26 2.04 0.00 0.00 6.71 6.94 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 70 E 6.29 3.89 0.00 1.16 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 1.71 1.85 0.00 71 Y 8.34 3.89 0.00 3.11 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 72 L 7.40 3.78 0.00 1.04 0.83 0.24 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 7.11 4.83 0.00 3.00 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 74 K 8.47 4.71 0.00 1.75 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.42 7.81 75 A 8.60 4.13 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 76 K 8.80 4.12 0.00 1.72 1.96 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.46 7.81 77 T 8.16 4.51 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 78 P 0.00 4.45 0.00 2.04 2.09 0.00 3.77 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 79 S 8.76 4.59 0.00 3.94 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 80 V 7.83 3.86 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 0.82 0.00 0.00 1.12 0.00 0.00 81 K 8.65 4.84 0.00 1.66 1.69 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.36 7.81 82 L 8.65 4.03 0.00 1.66 1.68 0.97 0.83 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 83 S 8.04 4.09 0.00 3.87 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 84 H 8.09 4.37 0.00 3.50 3.45 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.14 4.24 0.00 3.18 3.17 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 86 N 8.57 4.58 0.00 2.89 2.87 0.00 0.00 6.95 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 87 R 7.63 4.57 0.00 1.85 1.86 0.00 3.10 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 88 T 6.84 4.46 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 0.90 0.00 0.00 89 A 7.75 4.45 1.16 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 90 L 8.35 4.19 0.00 1.64 1.65 0.95 0.99 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 91 G 8.97 4.01 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 0.00 0.00 0.00 92 M 7.58 4.27 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 93 T 8.90 4.50 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 1.19 0.00 0.00 94 E 8.71 3.56 0.00 2.05 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 2.46 2.22 0.00 95 A 7.94 4.03 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 96 Q 8.01 3.86 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 97 L 7.75 3.43 0.00 1.12 0.92 -0.41 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 98 W 7.73 4.93 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 4.20 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 0.00 100 A 7.56 4.22 1.24 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 0.00 101 V 7.48 4.22 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 1.22 0.00 0.00 0.71 0.00 0.00 102 P 0.00 4.45 0.00 2.23 2.17 0.00 3.56 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 103 K 8.60 3.48 0.00 0.89 1.30 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.49 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.62 0.21 7.81 104 D 7.88 4.40 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.85 0.00 3.84 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 0.00 106 C 8.01 5.69 0.00 2.92 3.21 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 0.00 107 V 8.93 4.71 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 0.84 0.00 0.00 1.28 0.00 0.00 108 S 8.44 4.42 0.00 3.54 3.58 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 0.00 109 Q 9.78 4.53 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 110 G 6.80 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.51 5.28 0.00 2.25 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 2.09 2.26 0.00 112 S 8.60 4.76 0.00 4.03 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 0.00 113 Y 9.02 4.98 0.00 3.13 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 0.00 114 P 0.00 4.24 0.00 2.06 2.11 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 115 N 8.15 4.85 0.00 2.76 2.81 0.00 0.00 6.84 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 0.00 116 W 8.38 4.41 0.00 3.79 3.25 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 0.00 117 P 0.00 2.00 0.00 1.57 1.39 0.00 3.68 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 1.70 1.74 0.00 118 A 7.46 3.90 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 0.00 119 K 8.25 4.61 0.00 1.62 1.81 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.42 0.94 7.81 120 T 7.75 4.12 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 1.23 0.00 0.00 121 G 9.38 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 0.00 122 F 8.43 4.35 0.00 3.22 3.09 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 0.00 123 E 8.69 4.90 0.00 1.97 1.61 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 2.05 2.19 0.00 124 E 8.90 4.75 0.00 1.88 1.60 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 1.84 1.47 0.00 125 K 8.83 4.87 0.00 1.51 1.59 0.00 1.45 0.00 0.00 1.37 0.00 0.00 2.59 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.83 1.15 7.81 126 Y 9.51 5.34 0.00 3.41 3.25 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 0.00 127 Y 9.42 5.29 0.00 3.18 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 0.00 128 C 9.70 5.55 0.00 3.01 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 0.00 129 A 8.18 4.47 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 0.00 130 A 8.89 4.35 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 0.00 131 A 7.54 4.49 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 0.00 132 T 8.10 4.06 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 133 G 8.49 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 0.00 134 L 8.03 3.89 0.00 1.60 1.46 0.86 0.41 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 0.00 135 F 7.87 3.85 0.00 3.12 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 0.00 136 P 0.00 4.68 0.00 2.10 2.15 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 137 P 0.00 4.70 0.00 2.08 2.10 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 138 S 8.79 5.02 0.00 3.64 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 0.00 139 A 8.84 5.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.83 5.31 0.00 3.89 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 0.00 141 F 9.43 5.55 0.00 3.08 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 0.00 142 H 9.74 5.69 0.00 3.22 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.18 5.25 0.00 1.61 1.59 1.10 0.40 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 0.00 144 T 8.82 4.80 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 1.25 0.00 0.00 145 D 9.89 4.28 0.00 2.79 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 0.00 146 G 8.27 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 0.00 147 V 7.46 4.65 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 1.09 0.00 0.00 0.94 0.00 0.00 148 L 9.12 4.64 0.00 1.63 1.48 1.09 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 149 T 9.01 4.67 4.32 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 1.29 0.00 0.00 150 Y 7.79 5.07 0.00 3.04 2.73 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 0.00 151 R 7.66 5.01 0.00 1.80 1.94 0.00 3.00 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 152 Y 8.57 4.84 0.00 2.71 2.74 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 0.00 153 Q 7.16 4.69 0.00 1.45 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.54 0.00 0.00 0.00 0.00 0.00 1.16 1.43 0.00 154 R 8.41 4.20 0.00 1.90 2.20 0.00 3.00 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 155 S 8.88 3.72 0.00 4.05 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 0.00 156 L 8.10 4.13 0.00 1.57 1.62 0.76 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.32 4.18 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 1.20 0.00 0.00