NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5014 8.3044 118.2077 54.8017 32.6968 174.8868 1 V 4.1667 7.5064 117.4498 63.5955 35.0311 173.2260 2 L 4.4637 7.5021 120.4634 53.3739 44.0246 177.0483 3 S 4.5151 8.8399 117.7177 57.6361 65.3131 175.0719 4 E 4.2298 8.8790 122.5476 59.7358 29.2550 179.1580 5 G 3.6899 8.1272 105.0511 47.7468 0.0000 175.4458 6 E 3.9351 7.8837 120.9696 59.0908 29.5259 179.3324 7 W 4.3417 8.1659 118.9733 59.9965 29.1099 178.5885 8 Q 4.2297 8.3534 117.9222 58.6141 28.1909 178.5834 9 L 4.1095 7.8834 120.1348 57.6459 41.6330 179.5951 10 V 3.7566 7.9140 118.2942 66.1594 31.6185 178.1575 11 L 4.2681 8.3185 118.5691 57.5896 41.2155 178.9743 12 H 4.2182 8.3041 118.2327 59.3017 30.1688 177.4139 13 V 3.7359 7.9085 120.4747 64.2695 31.4226 178.0560 14 W 3.9958 8.5842 128.8943 60.1926 30.2173 177.6773 15 A 4.0081 7.8558 120.0061 55.0611 17.9296 179.4567 16 K 3.9129 7.7896 117.1284 59.2804 31.9975 179.6682 17 V 2.7593 7.0476 118.1283 65.7623 31.0812 177.7768 18 E 3.8128 7.4450 116.4773 58.7088 29.2782 178.7808 19 A 4.1543 7.3039 119.8819 54.0241 19.9428 177.6000 20 D 4.6363 7.7306 115.1227 52.4699 43.3289 175.7449 21 V 3.5474 7.7397 123.0702 65.6176 32.0522 176.7721 22 A 4.0534 7.9743 120.1966 55.0468 18.3203 179.6798 23 G 3.5628 8.3685 105.5968 47.7548 0.0000 175.6824 24 H 4.1767 8.2085 119.0965 58.2900 28.6999 178.0705 25 G 3.6157 8.3532 107.8894 47.9085 0.0000 175.4764 26 Q 3.9356 8.0650 120.7935 58.9323 28.8100 179.0097 27 D 4.2989 7.9976 119.5671 57.3798 40.7870 179.0966 28 I 3.7289 7.8236 120.2929 64.2482 37.1947 178.4872 29 L 3.5294 7.8243 119.8189 57.6014 41.3039 179.6011 30 I 3.7217 7.7244 119.8386 64.2734 37.0205 178.4017 31 R 3.7831 7.9439 119.5040 59.1940 29.8312 178.1146 32 L 3.8735 7.7458 120.0268 58.4761 41.9226 179.1573 33 F 4.5721 7.7932 117.4545 60.4880 38.5709 177.9813 34 K 4.0352 8.2458 118.0674 59.1702 31.9072 179.0179 35 S 4.3752 7.8773 113.4483 59.6707 64.7718 174.2778 36 H 4.6809 8.2763 119.4200 51.7609 29.2932 171.6720 37 P 4.6349 0.0000 0.0000 64.6486 31.1514 177.5051 38 E 4.1390 8.2745 116.0603 59.3626 29.3983 179.1005 39 T 3.7415 8.2138 111.3408 64.3458 68.7361 176.3081 40 L 3.9834 8.0989 123.4852 57.9728 41.7782 178.6425 41 E 4.0405 7.8431 117.4161 58.8937 29.4205 178.8610 42 K 4.3908 8.1007 117.3540 57.0601 32.6093 176.8505 43 F 4.6248 8.1921 119.4428 55.3167 38.7078 175.9773 44 D 4.4124 8.5585 126.7848 55.9847 39.3568 178.2759 45 R 4.0014 7.7126 114.5010 57.5017 29.9122 176.6785 46 F 5.0052 7.7025 115.7419 56.8526 40.5456 177.0124 47 K 3.8714 8.2494 120.3369 59.4887 31.8976 177.5117 48 H 4.4366 8.1044 112.0827 56.6386 29.0108 175.1757 49 L 4.1219 7.6545 122.0725 54.4767 41.6934 176.6627 50 K 4.4101 8.8698 123.2256 56.7713 33.9748 176.7016 51 T 4.7393 7.4597 107.8708 58.7400 73.2846 174.1136 52 E 3.8955 8.6864 120.9832 59.3969 29.5752 178.6524 53 A 3.9684 7.9150 120.2833 55.1416 18.3075 179.0520 54 E 3.8919 7.5730 115.2855 59.5410 29.9780 178.6619 55 M 4.1329 8.0293 118.6978 58.4956 31.8720 178.9371 56 K 4.0543 8.2426 117.2591 59.1129 32.2893 178.4878 57 A 4.4161 7.8203 118.5774 51.7734 19.0973 177.0725 58 S 4.3296 7.5521 114.0292 57.1000 62.8767 174.2427 59 E 3.9542 8.9698 129.2091 59.4894 29.3796 178.1195 60 D 4.4243 8.1111 117.5982 57.2054 41.3501 177.7141 61 L 3.4261 7.6033 119.8143 57.9388 42.0427 178.9306 62 K 3.8992 7.9856 119.4467 59.3621 32.1336 178.9705 63 K 4.0289 8.3147 118.9504 59.7081 31.9333 178.8167 64 H 4.3867 8.6920 118.7739 59.1313 29.8323 177.2290 65 G 3.7722 8.3683 107.9276 48.1258 0.0000 175.7361 66 V 3.6339 7.6901 120.0217 65.8541 31.5386 178.1693 67 T 3.8748 7.9884 115.5244 66.6227 68.3492 176.5941 68 V 3.5860 8.0484 120.3284 66.2782 31.5373 178.1526 69 L 4.3077 8.1272 118.3540 57.6805 41.4385 179.6339 70 T 3.9536 8.2542 116.0235 66.5683 68.3586 176.4820 71 A 4.0033 8.0298 122.6602 55.1151 18.3848 179.4467 72 L 3.7852 8.1300 119.0571 58.1052 42.0945 179.4442 73 G 3.1836 8.5294 105.8405 47.5554 0.0000 175.4927 74 A 3.9977 7.8103 122.2332 54.8919 18.6204 179.6437 75 I 3.8059 7.3877 117.9309 64.5712 37.2903 178.5818 76 L 4.0096 7.9152 120.1776 57.7179 41.1755 179.5861 77 K 4.0261 7.7895 116.8361 58.3253 32.3020 178.6744 78 K 3.9664 7.8730 118.3001 55.9492 32.4397 176.6674 79 K 2.0000 8.3428 118.0762 56.4924 29.8677 175.7221 80 G 4.0031 8.0120 106.3147 45.7846 0.0000 174.3758 81 H 4.6833 7.3490 119.0718 55.0910 27.2743 174.6785 82 H 5.3688 7.6278 111.4952 53.8554 30.1164 175.9474 83 E 3.9506 8.6242 120.3028 60.4377 28.6823 178.9687 84 A 4.0146 7.9073 120.1888 54.6168 18.9904 178.9860 85 E 4.1114 8.1317 116.5204 59.0971 29.6479 178.9992 86 L 3.9920 8.3507 120.9810 57.4911 42.1473 178.6104 87 K 3.8937 7.9539 119.4437 59.3404 32.1674 177.0829 88 P 4.3440 0.0000 0.0000 65.2204 31.3130 178.4333 89 L 4.0574 7.5226 117.1097 58.0705 41.9167 178.8179 90 A 4.2455 8.2531 120.8451 55.2489 18.3409 179.3951 91 Q 3.9528 8.2194 118.3254 59.4186 29.0101 178.6709 92 S 4.2487 8.4618 114.8341 60.7687 63.0680 174.9320 93 H 4.7073 8.2210 118.0599 55.5360 28.7288 175.6187 94 A 3.9164 7.6502 123.0354 51.4930 20.9794 176.5923 95 T 4.2258 7.7205 102.7573 63.3086 70.2368 175.4974 96 K 3.8414 7.9257 120.5656 58.4314 32.3111 176.2277 97 D 4.8682 7.5700 117.3948 52.3107 44.2784 175.7742 98 K 3.8550 8.4201 122.5165 54.6519 32.8243 174.2569 99 I 4.4191 8.3504 127.6265 58.4989 38.4790 174.3093 100 P 4.5716 0.0000 0.0000 62.1760 32.1764 177.7572 101 I 3.7235 8.4191 121.4966 64.3491 36.9581 178.4352 102 K 3.7777 7.9779 120.0718 60.0198 31.9148 178.2057 103 Y 4.2332 7.8406 116.4422 60.7260 37.7978 178.1158 104 L 4.2543 7.9040 119.7197 57.4442 41.7593 179.0685 105 E 4.0214 8.0834 118.9370 59.4236 29.4185 179.3127 106 F 4.5397 7.8016 117.7092 60.7883 38.9372 177.6454 107 I 3.8918 8.1790 118.1596 63.8222 37.7632 178.0965 108 S 4.1926 8.3151 116.4037 61.6262 62.6348 176.3579 109 E 4.0548 8.3600 121.0011 59.4268 29.2324 179.2525 110 A 4.0247 8.0724 120.6543 55.2443 18.4590 179.7337 111 I 3.6811 8.0093 118.2735 64.7254 37.2225 178.7854 112 I 3.9333 7.9689 120.6136 64.5359 36.9219 177.9512 113 H 4.1429 8.5405 119.2781 59.3792 29.7470 177.5824 114 V 3.5577 7.8783 119.9912 65.9338 31.3530 177.9325 115 L 3.8095 7.8701 118.7852 58.0063 41.0765 179.0569 116 H 4.4507 8.0476 117.3551 59.2409 29.8800 177.2630 117 S 4.1331 7.9436 116.3753 61.3825 62.7365 176.2147 118 R 4.1288 7.7381 119.0715 57.3019 31.0285 176.4992 119 H 5.0573 8.1684 115.7944 54.1858 30.0164 173.5307 120 P 4.3048 0.0000 0.0000 65.8515 31.5216 178.8740 121 G 3.7473 8.1572 106.3984 47.4639 0.0000 173.4960 122 N 5.0454 8.3937 115.5838 52.9884 39.8813 174.8817 123 F 5.0283 8.0674 119.0284 56.0489 39.6395 174.2373 124 G 3.9765 7.5514 110.0700 43.9228 0.0000 171.0508 125 A 3.8713 8.4238 120.6105 55.4370 18.4127 179.8549 126 D 4.2059 7.9688 116.6507 57.3954 40.8852 178.7386 127 A 4.0073 7.7561 120.8537 55.0162 18.4075 179.5225 128 Q 3.2912 7.7877 116.9401 58.7006 28.7250 179.2493 129 G 3.4882 8.0766 106.5466 47.6901 0.0000 175.6019 130 A 3.8632 7.8645 123.5060 55.0004 18.4231 179.4365 131 M 4.0136 8.2609 116.9150 58.6874 32.2700 177.8278 132 N 4.3188 8.4318 117.5134 56.7148 39.0269 176.9648 133 K 3.8737 8.0809 119.5348 59.4366 32.1351 179.2516 134 A 3.8509 7.8944 120.9997 55.0736 18.2454 179.7241 135 L 4.1207 8.1500 117.5426 57.6738 41.5898 179.5563 136 E 3.9712 8.3924 119.0281 59.2903 29.4480 178.9978 137 L 3.9493 8.2683 120.7415 58.0847 42.1619 178.6285 138 F 4.1287 8.3487 120.5573 61.5495 39.2947 177.4242 139 R 3.5495 8.0769 117.5468 58.8322 29.9913 178.8472 140 K 3.8050 8.1319 119.5879 59.7709 32.0683 178.6152 141 D 4.3371 8.0468 119.0165 57.1196 40.7419 178.5762 142 I 3.4960 7.5227 118.9279 63.3920 37.8749 177.8230 143 A 3.6033 7.6171 121.7996 54.8620 18.2696 179.3616 144 A 3.9301 7.7229 118.8457 55.3287 18.4803 180.0937 145 K 4.0069 7.7744 116.9477 59.4902 32.1289 178.9220 146 Y 4.4959 8.4391 117.6937 61.5532 37.8640 179.2801 147 K 4.2345 8.0713 120.1603 58.9274 31.9212 178.9783 148 E 3.9540 7.9923 118.4970 59.0476 29.6018 178.1008 149 L 4.4193 7.6352 115.9082 54.8643 42.0270 177.4757 150 G 3.9748 8.2713 107.6907 45.1984 0.0000 172.3369 151 Y 4.7994 8.1298 120.6731 55.5283 40.6352 176.5993 152 Q 3.8871 8.2208 125.7006 56.6962 29.5091 176.1835 153 G 3.7723 5.9246 110.8641 45.4337 0.0000 173.1055 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 0 M 8.30 4.50 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 1 V 7.51 4.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 2 L 7.50 4.46 0.00 0.70 0.78 0.56 -0.26 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 3 S 8.84 4.52 0.00 4.05 3.99 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 4 E 8.88 4.23 0.00 2.18 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 2.43 2.61 0.00 5 G 8.13 3.69 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 6 E 7.88 3.94 0.00 1.90 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 2.22 2.27 0.00 7 W 8.17 4.34 0.00 3.60 3.20 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 8 Q 8.35 4.23 0.00 2.32 2.22 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 2.46 2.68 0.00 9 L 7.88 4.11 0.00 1.86 1.77 0.91 1.16 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 10 V 7.91 3.76 2.42 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 1.17 0.00 0.00 0.94 0.00 0.00 11 L 8.32 4.27 0.00 1.88 1.81 0.96 0.80 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 12 H 8.30 4.22 0.00 3.29 3.62 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.91 3.74 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 1.01 0.00 0.00 0.74 0.00 0.00 14 W 8.58 4.00 0.00 3.62 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 15 A 7.86 4.01 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.79 3.91 0.00 1.73 1.35 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.36 7.81 17 V 7.05 2.76 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 0.00 0.00 0.06 0.00 0.00 0.30 0.00 0.00 18 E 7.44 3.81 0.00 2.06 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 2.23 2.23 0.00 19 A 7.30 4.15 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 20 D 7.73 4.64 0.00 2.66 2.52 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 21 V 7.74 3.55 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 1.05 0.00 0.00 0.83 0.00 0.00 22 A 7.97 4.05 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 23 G 8.37 3.56 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 0.00 0.00 0.00 24 H 8.21 4.18 0.00 3.11 3.21 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.35 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.06 3.94 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 27 D 8.00 4.30 0.00 2.86 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 28 I 7.82 3.73 1.88 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 1.51 0.73 0.89 0.00 0.00 29 L 7.82 3.53 0.00 1.45 1.21 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.72 3.72 1.88 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 1.41 0.67 0.89 0.00 0.00 31 R 7.94 3.78 0.00 1.92 2.09 0.00 3.05 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 L 7.75 3.87 0.00 1.72 1.37 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.79 4.57 0.00 3.19 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 34 K 8.25 4.04 0.00 1.81 1.83 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.58 7.81 35 S 7.88 4.38 0.00 3.73 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 36 H 8.28 4.68 0.00 2.91 2.96 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.63 0.00 2.16 2.12 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 38 E 8.27 4.14 0.00 2.29 2.30 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 2.33 2.57 0.00 39 T 8.21 3.74 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 0.78 0.00 0.00 40 L 8.10 3.98 0.00 1.56 1.79 -0.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.84 4.04 0.00 2.20 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 2.40 2.55 0.00 42 K 8.10 4.39 0.00 1.72 1.63 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.74 1.88 7.81 43 F 8.19 4.62 0.00 3.27 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 44 D 8.56 4.41 0.00 2.76 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 45 R 7.71 4.00 0.00 1.66 1.85 0.00 2.70 0.00 0.00 2.84 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 46 F 7.70 5.01 0.00 2.88 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 47 K 8.25 3.87 0.00 1.77 1.90 0.00 1.78 0.00 0.00 2.01 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.78 7.81 48 H 8.10 4.44 0.00 3.27 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.65 4.12 0.00 1.76 1.54 0.72 0.92 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 50 K 8.87 4.41 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 51 T 7.46 4.74 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 1.20 0.00 0.00 52 E 8.69 3.90 0.00 2.04 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 2.36 2.36 0.00 53 A 7.92 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.57 3.89 0.00 2.09 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 2.33 2.35 0.00 55 M 8.03 4.13 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 56 K 8.24 4.05 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.57 7.81 57 A 7.82 4.42 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.55 4.33 0.00 4.02 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 59 E 8.97 3.95 0.00 2.14 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 2.40 2.46 0.00 60 D 8.11 4.42 0.00 2.93 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 61 L 7.60 3.43 0.00 1.35 1.62 0.68 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.99 3.90 0.00 1.87 1.95 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.31 4.03 0.00 2.11 1.92 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.81 7.81 64 H 8.69 4.39 0.00 3.57 3.51 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.37 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 66 V 7.69 3.63 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.95 0.00 0.00 67 T 7.99 3.87 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 1.27 0.00 0.00 68 V 8.05 3.59 2.22 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 1.09 0.00 0.00 0.98 0.00 0.00 69 L 8.13 4.31 0.00 1.79 1.82 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.25 3.95 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 1.26 0.00 0.00 71 A 8.03 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.13 3.79 0.00 1.73 1.78 0.24 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.53 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 0.00 0.00 0.00 74 A 7.81 4.00 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 75 I 7.39 3.81 1.90 0.00 0.00 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 1.55 0.73 0.92 0.00 0.00 76 L 7.92 4.01 0.00 1.27 1.56 -0.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.79 4.03 0.00 1.65 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.51 7.81 78 K 7.87 3.97 0.00 1.80 1.80 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.62 1.74 7.81 79 K 8.34 2.00 0.00 1.30 0.74 0.00 1.40 0.00 0.00 1.43 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.62 0.74 7.81 80 G 8.01 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 0.00 0.00 0.00 0.00 81 H 7.35 4.68 0.00 3.17 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.63 5.37 0.00 3.27 3.44 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.62 3.95 0.00 2.19 2.30 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 2.38 2.36 0.00 84 A 7.91 4.01 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 85 E 8.13 4.11 0.00 2.22 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 2.40 2.43 0.00 86 L 8.35 3.99 0.00 1.87 1.70 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.95 3.89 0.00 1.89 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.66 7.81 88 P 0.00 4.34 0.00 2.24 2.12 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 89 L 7.52 4.06 0.00 1.97 1.79 1.14 1.36 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 90 A 8.25 4.25 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 91 Q 8.22 3.95 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 92 S 8.46 4.25 0.00 4.09 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 93 H 8.22 4.71 0.00 3.52 3.55 0.00 5.75 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.65 3.92 1.02 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 95 T 7.72 4.23 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 96 K 7.93 3.84 0.00 1.87 1.83 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 97 D 7.57 4.87 0.00 2.32 2.38 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 98 K 8.42 3.85 0.00 1.25 1.48 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.10 1.11 7.81 99 I 8.35 4.42 2.10 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 1.38 1.18 1.15 0.00 0.00 100 P 0.00 4.57 0.00 1.86 1.81 0.00 3.07 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.82 0.00 101 I 8.42 3.72 1.81 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.83 0.00 0.00 102 K 7.98 3.78 0.00 1.71 1.62 0.00 1.55 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 0.86 7.81 103 Y 7.84 4.23 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 0.00 104 L 7.90 4.25 0.00 1.89 1.85 0.77 1.18 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 0.00 105 E 8.08 4.02 0.00 2.07 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 2.33 2.45 0.00 106 F 7.80 4.54 0.00 3.20 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 0.00 107 I 8.18 3.89 2.00 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 1.58 1.38 1.10 0.00 0.00 108 S 8.32 4.19 0.00 4.20 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 0.00 109 E 8.36 4.05 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 110 A 8.07 4.02 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.01 3.68 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.09 1.03 0.00 0.00 112 I 7.97 3.93 2.00 0.00 0.00 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 1.67 0.72 1.11 0.00 0.00 113 H 8.54 4.14 0.00 3.37 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.88 3.56 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 0.91 0.00 0.00 0.97 0.00 0.00 115 L 7.87 3.81 0.00 1.13 0.55 0.75 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.05 4.45 0.00 3.42 3.57 0.00 5.95 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 0.00 117 S 7.94 4.13 0.00 3.93 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 0.00 118 R 7.74 4.13 0.00 1.41 1.51 0.00 2.82 0.00 0.00 2.87 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 119 H 8.17 5.06 0.00 3.17 3.18 0.00 5.63 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 0.00 120 P 0.00 4.30 0.00 2.22 2.23 0.00 3.74 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 2.06 1.91 0.00 121 G 8.16 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 0.00 122 N 8.39 5.05 0.00 2.74 2.90 0.00 0.00 6.64 8.00 0.00 0.00 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 F 8.07 5.03 0.00 3.00 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 0.00 124 G 7.55 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 0.00 125 A 8.42 3.87 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 0.00 126 D 7.97 4.21 0.00 2.69 2.69 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 0.00 127 A 7.76 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.79 3.29 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 129 G 8.08 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.86 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 0.00 131 M 8.26 4.01 0.00 2.39 2.39 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.88 0.00 132 N 8.43 4.32 0.00 2.88 2.93 0.00 0.00 7.23 7.98 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 0.00 133 K 8.08 3.87 0.00 1.85 1.68 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.60 7.81 134 A 7.89 3.85 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.15 4.12 0.00 1.77 1.81 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.39 3.97 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 137 L 8.27 3.95 0.00 1.77 1.95 0.99 1.13 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 0.00 138 F 8.35 4.13 0.00 3.06 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 0.00 139 R 8.08 3.55 0.00 2.04 1.87 0.00 3.19 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 140 K 8.13 3.80 0.00 1.84 1.91 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 141 D 8.05 4.34 0.00 2.78 2.67 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 0.00 142 I 7.52 3.50 1.23 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.18 0.21 0.00 0.00 143 A 7.62 3.60 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 0.00 144 A 7.72 3.93 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 0.00 145 K 7.77 4.01 0.00 1.88 1.92 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.61 7.81 146 Y 8.44 4.50 0.00 3.12 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 0.00 147 K 8.07 4.23 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 148 E 7.99 3.95 0.00 2.15 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 0.00 2.35 2.38 0.00 149 L 7.64 4.42 0.00 1.89 1.71 0.97 1.13 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 0.00 150 G 8.27 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 0.00 151 Y 8.13 4.80 0.00 2.76 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 0.00 152 Q 8.22 3.89 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 153 G 5.92 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