NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3061 8.3144 120.1296 55.6798 34.7529 177.1276 3 C 4.7495 7.4918 122.3122 54.7659 44.9109 172.9465 4 M 4.7623 8.4371 129.2214 53.5185 32.9224 173.7749 5 E 4.5997 8.9041 118.3790 55.4067 31.9411 177.1615 6 A 4.2662 8.4808 124.3769 52.1806 18.5811 177.7112 7 L 4.1254 8.7704 122.5838 55.3882 42.3601 176.5883 8 G 3.2584 8.5062 110.7222 45.1545 0.0000 175.3740 9 M 3.8001 7.8650 121.4438 58.4640 32.0422 177.7184 10 E 4.0611 8.2182 118.5482 58.4833 29.9941 177.8538 11 S 4.3067 7.8618 111.9597 58.6927 63.8157 174.7550 12 G 4.0388 8.5213 108.4637 45.3536 0.0000 174.0162 13 E 3.8235 7.5158 119.4367 58.6657 29.5811 176.7381 14 I 4.2343 7.4014 119.4734 59.6080 37.5610 175.4074 15 H 4.5238 9.6128 124.2977 55.5473 29.4662 177.1505 16 S 4.1404 8.7078 117.7330 61.8541 62.7596 175.9897 17 D 4.6218 8.0602 116.2929 54.2433 39.4474 176.5103 18 Q 4.3817 8.1197 119.1779 56.3830 29.5468 174.6714 19 I 5.1574 7.6048 119.9369 59.7270 38.8776 175.2747 20 T 4.8662 9.0861 116.0848 60.1389 72.6788 172.4244 21 A 4.2101 8.1000 123.2044 49.6734 22.3054 176.2247 22 S 3.4909 7.0156 113.9879 61.2811 63.3708 174.4489 23 S 4.5183 7.4462 112.6488 57.9988 65.0350 173.8107 24 Q 4.8165 8.3129 117.0001 54.7947 31.1536 173.8494 25 Y 3.8811 9.1471 123.7653 59.8721 39.0140 176.1202 26 S 4.6833 7.7932 111.9978 57.8384 64.6739 177.3810 27 T 3.3604 8.7944 110.9728 64.6851 68.1372 174.8632 28 N 4.4741 7.8319 117.9836 54.6120 39.0475 175.0553 29 W 5.5917 9.2176 120.4594 54.9518 30.5733 175.2495 30 S 4.9685 8.0633 112.2010 57.2758 64.1978 174.7007 31 A 4.0074 8.7641 123.8194 55.3944 18.0475 179.2451 32 E 4.0968 8.1069 110.4701 57.8241 29.6136 177.2900 33 R 3.0905 7.9202 119.0323 55.9140 30.2957 177.3275 34 S 4.8476 7.7798 112.7130 58.1886 63.8681 174.2938 35 R 3.9152 7.5844 122.0035 55.8690 30.2932 175.5004 36 L 4.0931 7.8554 123.8732 57.1141 42.2753 176.7297 37 N 4.4400 9.5527 121.9530 53.7275 36.5848 173.7880 38 Y 4.0463 7.9748 120.8525 57.4359 39.0903 175.2603 39 P 4.1932 0.0000 0.0000 63.7634 32.0087 175.8394 40 E 4.3533 6.9947 118.2063 55.0896 31.8161 175.9516 41 N 3.6744 8.6350 124.8130 53.9203 37.3814 172.0105 42 G 4.2176 7.5049 105.7527 46.9159 0.0000 170.9680 43 W 5.3537 8.8772 131.2525 56.7697 32.5492 176.8832 44 T 4.1234 8.3761 122.9280 59.2246 70.7456 172.4622 45 P 4.6667 0.0000 0.0000 61.5005 32.0672 177.3040 46 G 3.5812 8.7196 107.7216 47.6793 0.0000 172.9818 47 E 4.5328 7.1714 113.0929 55.5208 32.5196 175.3817 48 D 4.2141 8.2014 119.5266 52.3509 39.8261 175.7509 49 S 4.7072 7.3761 117.0017 57.0143 66.5438 173.7869 50 Y 4.9149 8.1418 115.4172 57.6631 38.4821 177.2495 51 R 4.2543 8.1784 116.6433 57.1893 29.8520 175.8554 52 E 4.7644 8.0461 118.2977 54.3668 31.9282 175.1453 53 W 5.4971 7.8860 118.1915 55.3453 32.3625 173.2566 54 I 4.7483 8.4082 120.4828 59.2100 40.9714 173.9523 55 Q 5.2102 9.6236 125.7999 54.5950 32.6443 173.9659 56 V 4.9775 8.8403 119.4711 60.0767 34.8549 174.2061 57 D 4.5653 8.8395 122.7698 52.3689 41.8150 175.9759 58 L 3.9509 8.7789 127.7246 56.3684 41.5656 178.8981 59 G 3.8282 9.3023 107.9983 44.3003 0.0000 172.7724 60 L 4.3495 6.7529 117.4654 54.8419 42.3436 173.8704 61 L 4.3446 8.5061 119.5537 55.6821 42.3272 176.8891 62 R 4.6110 8.8231 120.3525 54.8544 35.7242 173.8384 63 F 5.1496 9.1056 120.0578 57.0417 40.4799 175.2144 64 V 4.9975 9.5591 124.2387 61.4988 33.6720 175.6724 65 T 4.4428 8.6895 116.9025 61.8969 71.5340 173.3351 66 A 3.8135 6.8153 121.4397 51.1903 22.6198 175.2043 67 V 5.1840 8.3327 111.4322 59.7226 36.4489 175.2691 68 G 4.8242 9.4960 110.0613 44.8530 0.0000 172.1358 69 T 5.4733 8.8019 112.6529 60.2341 73.3037 172.1490 70 Q 5.2014 8.5829 119.1987 54.9035 33.7005 174.3204 71 G 4.6477 8.1287 109.3967 46.6009 0.0000 173.0768 72 A 4.8164 9.1579 122.6160 51.4593 23.3640 175.6496 73 I 5.2049 8.5174 120.5931 59.4192 39.9740 175.6904 74 S 4.8078 9.0046 121.8426 57.9868 63.5594 175.4297 75 K 3.8715 8.8706 124.9156 59.3392 32.0487 177.9915 76 E 4.2778 8.1670 117.4465 58.4621 29.9613 177.4097 77 T 4.2432 8.5411 107.6233 61.2182 69.7253 176.0109 78 K 4.0672 8.3290 120.0440 56.3221 30.7932 176.3096 79 K 4.1084 7.7477 119.4412 56.4208 33.2159 175.9488 80 K 4.8631 8.2712 123.1077 55.1630 33.7545 175.4056 81 Y 5.0279 9.0974 122.6543 55.4792 41.6481 174.2998 82 Y 5.1275 7.9436 117.5185 56.2772 41.2758 173.1132 83 V 4.4238 8.5584 122.2030 62.9590 32.8337 176.4168 84 K 4.7636 9.7631 128.0325 58.0742 33.3725 176.8321 85 T 5.4384 7.8869 107.8286 60.4684 72.7597 172.2733 86 Y 5.4190 8.2197 118.6238 56.5451 41.8144 173.5103 87 K 5.1442 9.1527 120.2479 55.1360 35.7582 175.2346 88 I 5.2587 8.4001 120.9214 59.8642 40.9377 174.2823 89 D 5.5052 9.2797 126.0180 52.6993 43.9325 175.6842 90 V 5.0254 8.5391 114.1367 60.0728 36.2026 174.5538 91 S 4.6912 8.4191 116.0311 57.0693 65.3382 175.1081 92 S 4.3660 8.6487 120.0702 59.7769 63.5721 174.4442 93 N 4.9170 7.5912 117.4377 51.8384 37.5430 175.3176 94 G 2.5720 7.8082 103.7526 46.1997 0.0000 173.4155 95 E 4.1945 7.4305 117.5482 57.2859 31.2873 175.8514 96 D 4.6064 7.6957 120.9928 53.1676 41.1345 175.7458 97 W 4.9865 8.6414 123.7212 55.1133 31.4517 176.3705 98 I 4.5650 8.8793 123.9651 59.5689 40.0466 175.0059 99 T 4.5752 8.5634 124.0880 63.0508 69.3525 174.4856 100 I 3.8635 8.6731 126.8923 61.5446 37.8264 175.7905 101 K 4.7639 8.6074 126.1914 54.5866 34.5921 176.2549 102 E 4.3751 7.9227 121.1922 54.7734 29.3663 173.3379 103 G 3.7549 8.4904 114.3005 46.6969 0.0000 170.8012 104 N 4.7004 8.2809 121.4543 53.4025 36.8889 175.2764 105 K 4.1524 7.8940 116.3868 56.1307 34.1514 172.7760 106 P 4.2077 0.0000 0.0000 60.5182 30.9808 176.0075 107 V 3.3795 8.2491 125.2914 62.6929 31.7257 176.2720 108 L 4.3172 8.1422 131.6402 53.0195 40.7825 174.6466 109 F 4.0939 8.2747 121.8713 57.6058 40.3145 174.2123 110 Q 4.3380 8.8969 122.7075 54.6833 29.1680 175.2894 111 G 4.5108 9.1755 111.0480 46.8135 0.0000 175.2361 112 N 5.1618 9.6751 123.5661 52.2740 40.1045 174.7707 113 T 4.5637 8.3083 109.3805 61.1811 69.9066 172.6412 114 N 4.1064 6.9485 118.1497 51.6510 39.6643 171.7262 115 P 4.8232 0.0000 0.0000 63.2294 32.3537 176.6521 116 T 4.3803 7.8732 107.5475 62.1120 70.2760 174.5710 117 D 4.6405 8.3366 121.9504 53.4505 41.7837 175.7651 118 V 4.2281 8.1519 121.6612 61.9702 32.5759 175.3541 119 V 4.4166 8.4315 126.4228 61.1383 34.1297 174.1940 120 V 4.6068 8.5742 128.1522 61.9294 32.9653 174.7619 121 A 4.7707 9.3347 129.8138 50.2041 21.3642 174.9995 122 V 4.3121 8.4552 122.9502 61.9660 32.4006 176.1787 123 F 4.9798 8.4694 127.2864 57.0755 39.5519 173.5723 124 P 4.4933 0.0000 0.0000 65.1409 31.3168 176.8384 125 K 4.8195 7.7670 113.9556 53.5374 35.8831 173.8669 126 P 4.7849 0.0000 0.0000 62.7478 32.0654 175.9051 127 L 4.9637 9.4440 123.8649 53.1432 45.2053 175.8339 128 I 5.0153 8.3831 122.6675 59.8550 38.2826 174.2191 129 T 4.4811 7.9098 122.7522 61.5197 70.4385 172.6096 130 R 4.3285 8.6863 115.1124 56.9750 35.1156 175.6385 131 F 5.2309 8.5654 117.9186 55.5521 41.6389 175.1508 132 V 4.7853 8.8285 123.3825 61.0916 34.2718 173.9538 133 R 5.0187 9.3937 128.7937 54.6346 32.7350 174.1669 134 I 4.5567 8.7661 127.8904 60.2589 39.3182 175.1724 135 K 4.6862 9.4300 126.0207 53.3990 34.2676 173.0804 136 P 4.7848 0.0000 0.0000 63.6346 31.8463 176.3606 137 A 5.0558 9.5484 125.6438 53.3303 21.2978 176.4596 138 T 3.9536 7.7914 102.6130 60.3522 72.7030 172.9583 139 W 5.1957 7.2645 118.0138 56.1453 31.2050 172.6530 140 E 4.2901 8.5992 121.4579 55.9466 30.8290 175.6034 141 T 3.5651 9.6662 128.7045 63.1004 66.8347 171.8864 142 G 3.9599 7.4381 104.8920 46.0393 0.0000 171.9059 143 I 3.9330 7.0923 120.3814 59.8683 37.9695 175.5967 144 S 5.1364 8.2362 120.8470 56.3336 65.7504 172.8034 145 M 5.7716 8.6364 123.4237 54.2379 36.8711 173.8865 146 R 5.4086 8.7234 119.2973 55.0759 35.3639 174.0807 147 F 5.7623 9.4603 117.1385 57.2291 41.9644 172.0521 148 E 4.7221 8.8032 117.4035 54.9938 33.0682 173.5929 149 V 4.7131 8.1347 124.6636 61.3797 34.4134 173.7671 150 Y 5.8797 9.1994 124.3467 54.0721 41.3448 176.3065 151 G 4.5245 8.3560 111.0746 45.7720 0.0000 172.1087 152 C 5.3691 8.4308 119.5578 54.7332 44.4062 173.4346 153 K 4.4575 8.6380 119.8582 56.2691 32.1624 177.4705 154 I 3.7489 8.1046 123.4453 61.5668 37.7585 176.1539 155 T 4.2265 8.6489 117.3986 62.2613 67.3877 173.6541 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 K 8.31 4.31 0.00 1.71 1.73 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.34 7.81 3 C 7.49 4.75 0.00 2.85 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 4 M 8.44 4.76 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 5 E 8.90 4.60 0.00 2.06 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 2.33 2.30 0.00 6 A 8.48 4.27 1.19 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 0.00 0.00 7 L 8.77 4.13 0.00 1.50 1.68 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.51 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 0.00 0.00 0.00 9 M 7.87 3.80 0.00 1.74 2.03 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.37 0.00 10 E 8.22 4.06 0.00 1.91 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 2.30 2.34 0.00 11 S 7.86 4.31 0.00 3.99 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 12 G 8.52 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 13 E 7.52 3.82 0.00 1.90 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 2.27 2.27 0.00 14 I 7.40 4.23 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.86 0.00 0.00 15 H 9.61 4.52 0.00 3.34 3.19 0.00 5.64 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 16 S 8.71 4.14 0.00 3.88 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 17 D 8.06 4.62 0.00 2.80 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 18 Q 8.12 4.38 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 19 I 7.60 5.16 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.56 0.99 0.00 0.00 20 T 9.09 4.87 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 1.31 0.00 0.00 21 A 8.10 4.21 0.75 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 0.00 0.00 22 S 7.02 3.49 0.00 3.54 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 23 S 7.45 4.52 0.00 3.90 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 24 Q 8.31 4.82 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 25 Y 9.15 3.88 0.00 2.80 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 26 S 7.79 4.68 0.00 4.10 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 27 T 8.79 3.36 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 1.23 0.00 0.00 28 N 7.83 4.47 0.00 2.79 2.52 0.00 0.00 6.74 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 W 9.22 5.59 0.00 3.17 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 30 S 8.06 4.97 0.00 4.13 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.76 4.01 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 32 E 8.11 4.10 0.00 2.02 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 2.22 2.21 0.00 33 R 7.92 3.09 0.00 1.94 1.45 0.00 2.96 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.29 0.00 34 S 7.78 4.85 0.00 4.37 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 35 R 7.58 3.92 0.00 1.97 1.97 0.00 3.23 0.00 0.00 3.50 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 36 L 7.86 4.09 0.00 1.64 1.60 1.09 1.03 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 37 N 9.55 4.44 0.00 3.05 2.98 0.00 0.00 6.99 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 38 Y 7.97 4.05 0.00 3.24 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 39 P 0.00 4.19 0.00 2.03 1.98 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 40 E 6.99 4.35 0.00 1.95 1.82 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 2.11 2.02 0.00 41 N 8.64 3.67 0.00 2.14 1.42 0.00 0.00 6.92 7.65 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 42 G 7.50 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 0.00 0.00 0.00 0.00 43 W 8.88 5.35 0.00 3.47 3.37 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 44 T 8.38 4.12 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 45 P 0.00 4.67 0.00 2.09 2.02 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.28 0.00 46 G 8.72 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 0.00 0.00 0.00 47 E 7.17 4.53 0.00 1.95 1.82 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 2.24 2.20 0.00 48 D 8.20 4.21 0.00 2.66 2.45 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 49 S 7.38 4.71 0.00 3.98 3.84 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 8.14 4.91 0.00 3.25 3.65 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 51 R 8.18 4.25 0.00 2.01 2.13 0.00 3.20 0.00 0.00 3.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 52 E 8.05 4.76 0.00 1.96 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 2.24 2.21 0.00 53 W 7.89 5.50 0.00 3.36 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 54 I 8.41 4.75 0.56 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 1.01 0.68 0.20 0.00 0.00 55 Q 9.62 5.21 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.49 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 56 V 8.84 4.98 2.35 0.00 0.00 0.00 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 0.96 0.00 0.00 57 D 8.84 4.57 0.00 2.72 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 58 L 8.78 3.95 0.00 1.48 1.64 0.93 0.96 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 59 G 9.30 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 60 L 6.75 4.35 0.00 1.55 1.56 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.51 4.34 0.00 1.45 1.53 0.85 0.79 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 62 R 8.82 4.61 0.00 1.65 1.78 0.00 3.27 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 63 F 9.11 5.15 0.00 3.19 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 64 V 9.56 5.00 2.41 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 1.38 0.00 0.00 1.06 0.00 0.00 65 T 8.69 4.44 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 66 A 6.82 3.81 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 5.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.06 0.00 0.00 68 G 9.50 4.82 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 0.00 0.00 0.00 69 T 8.80 5.47 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 1.11 0.00 0.00 70 Q 8.58 5.20 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.46 2.26 0.00 71 G 8.13 4.65 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 0.00 0.00 0.00 72 A 9.16 4.82 1.47 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 73 I 8.52 5.20 1.96 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 1.50 0.80 1.06 0.00 0.00 74 S 9.00 4.81 0.00 4.36 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.87 3.87 0.00 1.73 1.92 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.50 7.81 76 E 8.17 4.28 0.00 2.08 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 2.35 2.33 0.00 77 T 8.54 4.24 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 78 K 8.33 4.07 0.00 1.99 2.06 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.56 7.81 79 K 7.75 4.11 0.00 1.71 1.26 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.40 7.81 80 K 8.27 4.86 0.00 1.66 1.87 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 81 Y 9.10 5.03 0.00 2.99 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 82 Y 7.94 5.13 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.56 4.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 1.12 0.00 0.00 84 K 9.76 4.76 0.00 1.84 1.96 0.00 1.81 0.00 0.00 1.97 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.94 1.31 7.81 85 T 7.89 5.44 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 86 Y 8.22 5.42 0.00 3.22 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.15 5.14 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.49 7.81 88 I 8.40 5.26 2.01 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 1.58 1.41 1.02 0.00 0.00 89 D 9.28 5.51 0.00 2.38 2.76 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 90 V 8.54 5.03 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 0.82 0.00 0.00 1.04 0.00 0.00 91 S 8.42 4.69 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 92 S 8.65 4.37 0.00 3.97 3.92 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 93 N 7.59 4.92 0.00 2.83 2.93 0.00 0.00 6.69 8.08 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 94 G 7.81 2.57 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 95 E 7.43 4.19 0.00 1.73 1.89 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 2.11 2.18 0.00 96 D 7.70 4.61 0.00 2.43 2.51 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 97 W 8.64 4.99 0.00 3.10 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 98 I 8.88 4.56 1.90 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 1.22 1.79 0.93 0.00 0.00 99 T 8.56 4.58 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 1.30 0.00 0.00 100 I 8.67 3.86 1.93 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 1.03 0.50 0.86 0.00 0.00 101 K 8.61 4.76 0.00 1.71 1.76 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.64 7.81 102 E 7.92 4.38 0.00 1.82 1.77 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 2.18 2.21 0.00 103 G 8.49 3.75 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 0.00 0.00 0.00 104 N 8.28 4.70 0.00 2.83 2.87 0.00 0.00 7.03 7.61 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 0.00 105 K 7.89 4.15 0.00 1.89 1.88 0.00 1.31 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.34 7.81 106 P 0.00 4.21 0.00 2.03 2.02 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 107 V 8.25 3.38 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 -0.28 0.00 0.00 0.76 0.00 0.00 108 L 8.14 4.32 0.00 1.63 1.48 0.93 0.77 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 0.00 109 F 8.27 4.09 0.00 2.19 2.50 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 0.00 0.00 0.00 0.00 110 Q 8.90 4.34 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 111 G 9.18 4.51 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 0.00 0.00 0.00 112 N 9.68 5.16 0.00 3.13 2.92 0.00 0.00 6.90 7.19 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 0.00 113 T 8.31 4.56 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 1.26 0.00 0.00 114 N 6.95 4.11 0.00 2.63 2.62 0.00 0.00 6.05 7.75 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 0.00 115 P 0.00 4.82 0.00 2.38 2.67 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 116 T 7.87 4.38 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 1.25 0.00 0.00 117 D 8.34 4.64 0.00 2.83 2.64 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 0.00 118 V 8.15 4.23 2.13 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 0.86 0.00 0.00 1.00 0.00 0.00 119 V 8.43 4.42 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 1.06 0.00 0.00 0.99 0.00 0.00 120 V 8.57 4.61 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 0.64 0.00 0.00 0.75 0.00 0.00 121 A 9.33 4.77 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 0.00 122 V 8.46 4.31 2.13 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 0.80 0.00 0.00 0.88 0.00 0.00 123 F 8.47 4.98 0.00 3.39 2.98 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 0.00 124 P 0.00 4.49 0.00 2.11 2.18 0.00 3.85 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 2.24 2.16 0.00 125 K 7.77 4.82 0.00 1.79 1.75 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.48 7.81 126 P 0.00 4.78 0.00 1.93 1.93 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 127 L 9.44 4.96 0.00 1.92 1.67 0.83 0.63 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 0.00 128 I 8.38 5.02 1.85 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 0.77 1.83 0.74 0.00 0.00 129 T 7.91 4.48 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 1.30 0.00 0.00 130 R 8.69 4.33 0.00 1.75 1.73 0.00 3.06 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.49 0.00 131 F 8.57 5.23 0.00 2.97 3.13 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 0.00 132 V 8.83 4.79 2.23 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 1.08 0.00 0.00 1.09 0.00 0.00 133 R 9.39 5.02 0.00 1.58 1.63 0.00 2.21 0.00 0.00 2.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.41 0.00 134 I 8.77 4.56 1.52 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.39 0.55 0.00 0.00 135 K 9.43 4.69 0.00 1.76 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 136 P 0.00 4.78 0.00 2.19 2.20 0.00 4.00 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 137 A 9.55 5.06 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 0.00 138 T 7.79 3.95 4.00 0.00 0.00 0.00 0.00 0.00 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 0.00 139 W 7.26 5.20 0.00 3.42 3.24 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 0.00 140 E 8.60 4.29 0.00 1.51 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 1.98 2.01 0.00 141 T 9.67 3.57 3.84 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 0.77 0.00 0.00 142 G 7.44 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 0.00 0.00 0.00 0.00 143 I 7.09 3.93 1.08 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.44 0.00 0.00 144 S 8.24 5.14 0.00 3.47 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 0.00 145 M 8.64 5.77 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 146 R 8.72 5.41 0.00 1.84 1.97 0.00 3.38 0.00 0.00 3.74 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 147 F 9.46 5.76 0.00 3.13 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 0.00 148 E 8.80 4.72 0.00 1.91 1.62 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 0.00 1.71 1.47 0.00 149 V 8.13 4.71 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 1.06 0.00 0.00 1.13 0.00 0.00 150 Y 9.20 5.88 0.00 2.85 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 0.00 151 G 8.36 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 C 8.43 5.37 0.00 3.17 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 K 8.64 4.46 0.00 1.79 1.82 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.53 7.81 154 I 8.10 3.75 1.70 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.08 0.75 0.00 0.00 155 T 8.65 4.23 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 1.34 0.00 0.00