NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.6711 8.3193 116.7438 58.4115 64.0801 173.3935 1 M 4.2951 7.8990 118.3890 54.1378 32.5080 173.1944 2 Q 4.8386 8.2109 114.7601 55.1239 32.7194 174.7240 3 I 5.0740 8.3766 113.6278 59.4578 41.8280 173.7210 4 F 5.1206 9.2909 121.3256 55.8377 41.8942 175.2094 5 V 4.8680 8.9518 121.7699 61.0699 34.4172 174.1596 6 K 5.1224 8.9647 128.9883 54.7973 35.3054 176.4327 7 T 4.7560 7.8014 115.2638 60.4611 70.0103 174.2442 8 L 4.1859 8.2641 120.1180 57.3572 41.8863 177.9060 9 T 4.1152 7.9305 111.9451 61.7287 66.8884 175.1998 10 G 3.6449 8.0297 109.0401 45.0312 0.0000 170.6402 11 K 3.8048 8.5413 122.1147 56.6274 29.7087 174.8161 12 T 5.0771 8.0436 121.7524 62.2232 70.3744 174.2427 13 I 4.8856 8.5941 117.1210 59.4267 41.5377 173.9419 14 T 4.8230 8.3558 112.7405 59.8798 71.2028 173.3587 15 L 4.7223 8.2294 123.0045 52.8533 45.6766 175.2306 16 E 4.3584 8.7332 124.3014 55.6618 30.1242 175.3957 17 V 4.6307 8.0469 119.7407 59.5117 35.9174 174.7051 18 E 4.7212 8.4504 119.1442 54.0341 32.7702 175.9490 19 P 4.2725 0.0000 0.0000 65.5314 31.6554 178.6951 20 S 4.1837 7.9345 111.2724 60.1253 63.9168 174.3628 21 D 4.4544 7.8142 121.8582 54.9237 41.4202 176.0934 22 T 4.8897 8.0808 111.4285 60.4231 70.9950 175.8426 23 I 3.7014 8.3780 123.9440 64.6187 37.0791 178.6213 24 E 4.0031 7.9346 117.5693 59.6055 29.3698 178.9636 25 N 4.3289 8.0383 117.2266 55.9306 38.1099 177.6213 26 V 3.5191 7.5613 119.1208 66.0327 31.7605 177.7576 27 K 4.6062 8.2729 119.3709 58.8588 31.7911 178.8364 28 A 3.9596 7.9222 120.4697 55.1608 18.4357 179.6628 29 K 4.6231 7.6955 117.7670 59.3927 32.1113 179.6198 30 I 3.7207 8.8890 120.3877 64.1539 36.8957 178.3359 31 Q 4.1521 8.2687 122.2129 58.5192 29.0610 177.2594 32 D 4.4431 8.4287 120.9186 57.0101 40.6469 178.7964 33 K 4.2456 7.7196 116.6388 58.5566 33.9909 178.0312 34 E 4.2240 7.9384 118.4805 56.3476 29.5324 177.6018 35 G 3.8355 8.2544 106.3906 46.1339 0.0000 172.9358 36 I 4.2716 7.4034 120.7361 58.5782 38.4053 173.6487 37 P 4.4135 0.0000 0.0000 61.6205 31.9639 175.5411 38 P 4.2514 0.0000 0.0000 65.8543 31.3368 177.4784 39 D 4.6516 8.0335 114.3046 54.5459 39.8321 176.2651 40 Q 4.7807 8.5525 119.2954 55.5392 30.7626 174.5469 41 Q 5.0681 8.0720 118.3745 54.3621 31.9475 174.6631 42 R 4.6169 8.8461 120.8695 54.5249 33.3964 174.5300 43 L 5.6230 8.3401 123.9825 53.1434 44.2791 176.0704 44 I 5.1362 8.1280 121.8069 59.8201 41.6550 173.8481 45 F 5.0949 8.7627 128.7008 56.5934 42.8144 174.4974 46 A 3.1917 8.6688 128.0532 53.3429 15.5323 178.2250 47 G 3.9351 8.5267 106.7705 46.5021 0.0000 174.1615 48 K 4.5886 7.4935 117.7681 53.9474 35.5163 175.6646 49 Q 4.5924 8.7645 122.5501 56.4805 29.1746 175.8367 50 L 4.2046 8.6929 124.5850 53.4340 42.9721 176.1458 51 E 4.3804 9.0642 123.2660 55.4989 30.1348 177.4128 52 D 4.4478 9.1897 123.9010 57.6628 41.2391 179.2014 53 G 3.6442 8.1802 106.8165 48.7377 0.0000 174.2132 54 R 4.2757 7.8034 119.5431 55.2624 30.9288 176.2932 55 T 4.8306 8.5475 110.5747 60.6188 71.1896 175.4271 56 L 4.1265 8.4457 120.2078 58.3215 41.5827 179.2679 57 S 4.0435 8.1725 113.4922 61.8887 62.0617 175.8726 58 D 4.3344 7.7121 119.7178 57.3875 40.5698 177.9053 59 Y 4.6163 7.8285 113.9702 56.4940 39.5563 175.6378 60 N 4.1299 7.9665 116.6401 54.5270 35.9222 174.9698 61 I 3.9680 7.2932 116.2851 59.4654 38.6083 175.8373 62 Q 4.4305 8.1278 124.1933 53.3256 30.5980 175.5790 63 K 3.8561 8.3990 119.4804 58.4845 32.3994 175.5680 64 E 4.0533 9.2140 123.0211 57.9070 27.4077 174.5323 65 S 4.9463 7.9333 113.2862 57.4762 65.7754 173.9832 66 T 5.0606 8.6253 120.0037 62.1865 69.9947 173.8259 67 L 4.8688 8.8973 127.1721 53.3659 44.2123 175.7374 68 H 5.2183 8.9623 120.7356 54.4923 30.5218 174.5417 69 L 4.9868 8.2886 122.5266 53.6056 45.1131 174.9188 70 V 4.2188 8.9021 127.8450 61.9097 33.2849 174.5312 71 L 5.1216 8.3078 127.4240 53.0688 42.6906 176.7394 72 R 4.0806 8.3792 123.6762 56.5862 30.2139 177.4020 73 L 4.1071 8.5784 121.3509 56.8289 42.1653 177.4888 74 R 4.5595 7.7495 118.2836 54.8126 32.0955 173.9135 75 G 3.9988 9.6565 115.7496 44.2946 0.0000 170.9104 76 G 3.8626 8.9887 114.5238 45.3447 0.0000 173.0576 77 M 4.6986 8.3663 115.1351 53.2980 35.9354 174.4837 78 Q 5.4426 8.8755 124.3658 53.3152 32.3331 174.7195 79 I 4.7756 7.8385 115.5044 59.0701 41.4910 173.6520 80 F 5.3248 9.0115 119.2687 55.7657 43.4131 175.1696 81 V 4.7108 9.1598 120.2373 61.2067 34.4901 174.1202 82 K 4.8897 8.9952 131.4499 55.7481 33.2860 176.5442 83 T 4.5522 9.4022 119.1292 60.3920 70.6583 175.6787 84 L 4.5286 7.7903 120.6113 56.3430 39.6713 177.7513 85 T 4.5008 8.3895 107.3218 61.5359 70.0021 174.3092 86 G 3.9222 7.7446 109.3642 44.9851 0.0000 173.6440 87 K 3.9606 7.7700 121.9422 57.3902 33.0766 175.5834 88 T 5.1907 8.5994 124.4302 61.7330 70.9145 173.6250 89 I 4.7704 8.6656 118.8768 59.3221 41.4515 173.9689 90 T 4.8693 8.4682 116.2012 60.2428 70.1697 172.7176 91 L 4.8686 8.3666 125.5261 52.8906 45.9701 175.0843 92 E 4.8704 8.5593 119.8749 54.9382 31.5563 175.7947 93 V 4.5453 8.3622 116.9554 60.4410 36.5718 173.6806 94 E 4.6908 8.6135 117.8658 54.2741 33.6315 175.4063 95 P 4.1970 0.0000 0.0000 65.8333 31.5054 177.9707 96 S 4.5048 7.8643 109.2998 58.2533 63.6243 173.8748 97 D 4.4123 8.3020 123.8343 54.7280 40.5568 176.4180 98 T 4.7825 8.1885 113.6403 60.6488 70.5743 175.7754 99 I 4.0207 8.0280 122.3419 64.2232 36.8744 178.7290 100 E 3.9857 8.1297 119.2353 59.3810 29.1461 178.2566 101 N 4.5037 7.8964 112.6348 54.0527 38.9946 174.9241 102 V 4.2138 7.1050 119.5199 63.8960 34.0685 177.8768 103 K 4.2114 9.0100 120.5617 58.7394 31.4788 179.0651 104 A 4.0118 7.8068 120.4828 55.1781 18.7026 179.4861 105 K 4.3330 7.7589 117.6660 58.5161 32.2059 179.1272 106 I 3.6459 7.6166 120.2332 64.8436 37.1230 177.9261 107 Q 3.8810 7.9971 119.4203 59.5255 28.7513 178.1537 108 D 4.5003 8.0931 118.6976 55.7883 40.5482 177.6634 109 K 4.3512 7.6607 116.7499 58.0068 34.1193 177.6173 110 E 4.1997 8.9472 117.8638 56.4412 30.5339 176.5320 111 G 3.6528 8.1972 105.2723 46.4041 0.0000 174.1141 112 I 4.5134 7.2943 117.0987 58.1113 40.8468 174.4216 113 P 4.2846 0.0000 0.0000 62.3780 31.1107 175.3839 114 P 4.3448 0.0000 0.0000 65.5804 31.4022 177.5865 115 D 4.4934 8.0510 115.4634 55.1127 39.8877 176.5662 116 Q 4.5518 8.4874 118.9779 55.7650 30.1708 174.5381 117 Q 4.7867 7.8308 119.3392 54.0482 31.4611 174.5135 118 R 4.6462 9.1407 125.0716 54.6632 32.3290 174.2718 119 L 5.1196 8.3790 126.7583 53.6614 44.0632 175.8770 120 I 4.9625 8.7049 122.8120 59.5300 41.2378 174.5171 121 F 5.0074 8.8137 127.6576 56.4284 41.2061 173.9081 122 A 3.4786 9.3894 126.6245 52.6107 15.3167 176.3273 123 G 4.0993 8.1607 109.2571 44.4789 0.0000 171.9051 124 K 4.4099 7.5397 118.9669 54.7337 33.3307 175.6102 125 Q 4.5697 8.4877 125.2444 56.1291 29.5627 175.4872 126 L 3.8028 8.4308 126.5121 54.1925 42.6645 175.9460 127 E 4.7256 8.7769 121.0622 54.6409 31.8142 177.0132 128 D 4.3991 9.1439 123.9570 57.5772 41.2266 178.3812 129 G 3.6929 8.1613 106.4928 48.4275 0.0000 173.8981 130 R 4.2251 7.7435 118.5832 55.5846 31.5456 174.8792 131 T 4.6367 7.9442 112.9904 60.0205 70.2433 175.1012 132 L 4.1511 8.8469 124.4491 57.8618 41.9512 180.1962 133 S 4.1452 8.2341 113.3481 61.3692 63.0107 176.0072 134 D 4.2548 7.4872 118.9852 57.0313 40.5526 176.9372 135 Y 4.4967 7.3839 114.4397 60.4399 38.7686 176.7630 136 N 3.9475 7.6144 114.8301 54.8794 36.9863 173.6141 137 I 3.9318 7.1655 123.0976 59.6549 39.0125 175.6641 138 Q 4.6357 8.2490 125.6981 53.0750 31.7530 174.2899 139 K 3.9304 8.3172 119.9924 58.4958 32.5827 176.8120 140 E 4.1962 8.9731 118.6763 57.1732 28.1974 174.8262 141 S 4.5755 7.8333 114.2435 58.6323 63.7799 172.7965 142 T 5.2147 8.6718 121.3726 61.9426 70.6626 173.6453 143 L 4.9986 8.8518 124.8387 53.3463 45.7028 174.9227 144 H 5.1898 8.9451 118.0558 54.0956 31.1916 173.0577 145 L 4.9563 8.6818 126.3901 53.5887 43.5511 175.2298 146 V 4.8581 8.5227 126.4836 60.4777 35.1058 174.6129 147 L 4.6203 8.4178 125.8554 55.6280 41.4054 176.9914 148 R 4.1950 8.5177 120.1199 56.6091 29.6484 176.4669 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 S 8.32 4.67 0.00 3.76 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 1 M 7.90 4.30 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 2 Q 8.21 4.84 0.00 2.17 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 3 I 8.38 5.07 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.87 0.00 0.00 4 F 9.29 5.12 0.00 3.01 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 5 V 8.95 4.87 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 1.00 0.00 0.00 0.91 0.00 0.00 6 K 8.96 5.12 0.00 1.85 1.53 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.37 7.81 7 T 7.80 4.76 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 1.22 0.00 0.00 8 L 8.26 4.19 0.00 1.67 1.77 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.93 4.12 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 1.22 0.00 0.00 10 G 8.03 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.54 3.80 0.00 1.97 2.00 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.44 7.81 12 T 8.04 5.08 4.37 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 1.59 0.00 0.00 13 I 8.59 4.89 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.37 0.96 0.00 0.00 14 T 8.36 4.82 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 0.33 0.00 0.00 15 L 8.23 4.72 0.00 1.54 1.48 0.87 0.77 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 16 E 8.73 4.36 0.00 1.90 1.83 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 2.22 2.36 0.00 17 V 8.05 4.63 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 0.70 0.00 0.00 0.88 0.00 0.00 18 E 8.45 4.72 0.00 1.98 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 2.26 2.23 0.00 19 P 0.00 4.27 0.00 2.16 2.10 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.93 4.18 0.00 3.97 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 21 D 7.81 4.45 0.00 2.96 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 22 T 8.08 4.89 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 23 I 8.38 3.70 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.18 0.87 0.00 0.00 24 E 7.93 4.00 0.00 2.22 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 0.00 2.30 2.36 0.00 25 N 8.04 4.33 0.00 3.02 2.90 0.00 0.00 6.62 7.60 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 26 V 7.56 3.52 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 1.04 0.00 0.00 0.95 0.00 0.00 27 K 8.27 4.61 0.00 1.99 1.91 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.61 7.81 28 A 7.92 3.96 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 29 K 7.70 4.62 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 30 I 8.89 3.72 2.12 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 1.39 0.87 0.90 0.00 0.00 31 Q 8.27 4.15 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 32 D 8.43 4.44 0.00 2.86 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 33 K 7.72 4.25 0.00 1.90 1.89 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.43 7.81 34 E 7.94 4.22 0.00 2.21 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 2.32 2.45 0.00 35 G 8.25 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 0.00 0.00 0.00 36 I 7.40 4.27 1.86 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 1.41 1.45 0.90 0.00 0.00 37 P 0.00 4.41 0.00 2.33 2.11 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 38 P 0.00 4.25 0.00 2.16 2.12 0.00 3.58 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 2.09 0.00 39 D 8.03 4.65 0.00 2.77 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 40 Q 8.55 4.78 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 41 Q 8.07 5.07 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 42 R 8.85 4.62 0.00 1.71 1.84 0.00 3.44 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 43 L 8.34 5.62 0.00 1.55 1.54 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.13 5.14 1.91 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 1.22 1.02 0.94 0.00 0.00 45 F 8.76 5.09 0.00 3.05 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 46 A 8.67 3.19 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.53 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 0.00 0.00 0.00 48 K 7.49 4.59 0.00 1.87 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.37 7.81 49 Q 8.76 4.59 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 8.69 4.20 0.00 1.26 1.06 0.67 0.18 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 51 E 9.06 4.38 0.00 2.08 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 2.38 2.46 0.00 52 D 9.19 4.45 0.00 2.72 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 53 G 8.18 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.80 4.28 0.00 2.04 1.86 0.00 3.07 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 55 T 8.55 4.83 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 56 L 8.45 4.13 0.00 1.96 1.70 0.93 0.62 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 57 S 8.17 4.04 0.00 3.91 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 58 D 7.71 4.33 0.00 2.67 2.28 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 59 Y 7.83 4.62 0.00 2.92 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.97 4.13 0.00 3.06 3.03 0.00 0.00 6.66 7.43 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 61 I 7.29 3.97 1.67 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 -0.20 0.28 0.58 0.00 0.00 62 Q 8.13 4.43 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 63 K 8.40 3.86 0.00 1.71 1.77 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.75 7.81 64 E 9.21 4.05 0.00 2.21 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 0.00 2.32 2.50 0.00 65 S 7.93 4.95 0.00 3.69 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 66 T 8.63 5.06 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 1.22 0.00 0.00 67 L 8.90 4.87 0.00 1.58 1.58 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.96 5.22 0.00 3.26 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.29 4.99 0.00 1.67 1.49 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.90 4.22 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 0.89 0.00 0.00 0.94 0.00 0.00 71 L 8.31 5.12 0.00 1.56 1.59 0.97 0.94 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 72 R 8.38 4.08 0.00 1.71 1.99 0.00 3.15 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 73 L 8.58 4.11 0.00 1.63 1.72 0.92 0.81 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 74 R 7.75 4.56 0.00 1.70 1.76 0.00 3.17 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 75 G 9.66 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 76 G 8.99 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 77 M 8.37 4.70 0.00 2.18 1.87 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 78 Q 8.88 5.44 0.00 1.80 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.41 0.00 0.00 0.00 0.00 0.00 2.30 2.11 0.00 79 I 7.84 4.78 1.98 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 1.22 0.83 0.83 0.00 0.00 80 F 9.01 5.32 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 9.16 4.71 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 0.96 0.00 0.00 0.94 0.00 0.00 82 K 9.00 4.89 0.00 1.85 1.60 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 83 T 9.40 4.55 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 1.30 0.00 0.00 84 L 7.79 4.53 0.00 1.65 1.82 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.39 4.50 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 1.22 0.00 0.00 86 G 7.74 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 0.00 0.00 0.00 87 K 7.77 3.96 0.00 1.81 1.74 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 88 T 8.60 5.19 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 1.25 0.00 0.00 89 I 8.67 4.77 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 1.29 0.94 0.94 0.00 0.00 90 T 8.47 4.87 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 1.17 0.00 0.00 91 L 8.37 4.87 0.00 1.53 1.41 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.56 4.87 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 93 V 8.36 4.55 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 0.65 0.00 0.00 0.91 0.00 0.00 94 E 8.61 4.69 0.00 2.09 1.74 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 2.20 2.25 0.00 95 P 0.00 4.20 0.00 2.15 2.12 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 96 S 7.86 4.50 0.00 3.96 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 97 D 8.30 4.41 0.00 2.93 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 98 T 8.19 4.78 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 1.21 0.00 0.00 99 I 8.03 4.02 2.07 0.00 0.00 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 1.49 0.57 0.97 0.00 0.00 100 E 8.13 3.99 0.00 2.01 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 2.41 2.38 0.00 101 N 7.90 4.50 0.00 2.71 2.97 0.00 0.00 7.00 7.26 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 0.00 102 V 7.11 4.21 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 0.92 0.00 0.00 0.95 0.00 0.00 103 K 9.01 4.21 0.00 1.79 1.91 0.00 1.86 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.55 7.81 104 A 7.81 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 0.00 105 K 7.76 4.33 0.00 1.93 1.84 0.00 2.05 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.36 7.81 106 I 7.62 3.65 2.14 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 1.68 1.29 0.91 0.00 0.00 107 Q 8.00 3.88 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 108 D 8.09 4.50 0.00 2.93 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 0.00 109 K 7.66 4.35 0.00 1.80 1.82 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.47 7.81 110 E 8.95 4.20 0.00 1.98 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 2.33 2.47 0.00 111 G 8.20 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 0.00 0.00 0.00 112 I 7.29 4.51 1.87 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 1.47 0.71 0.91 0.00 0.00 113 P 0.00 4.28 0.00 2.40 2.20 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 114 P 0.00 4.34 0.00 2.19 2.18 0.00 3.59 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 2.12 2.11 0.00 115 D 8.05 4.49 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.49 4.55 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 117 Q 7.83 4.79 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 118 R 9.14 4.65 0.00 1.81 1.95 0.00 3.08 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 119 L 8.38 5.12 0.00 1.59 1.52 0.89 0.78 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 0.00 120 I 8.70 4.96 1.92 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 1.11 0.97 0.94 0.00 0.00 121 F 8.81 5.01 0.00 2.85 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 0.00 122 A 9.39 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.16 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 0.00 0.00 0.00 124 K 7.54 4.41 0.00 1.92 1.80 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.39 7.81 125 Q 8.49 4.57 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 126 L 8.43 3.80 0.00 1.39 1.20 0.72 -0.16 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 0.00 127 E 8.78 4.73 0.00 2.08 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 2.40 2.51 0.00 128 D 9.14 4.40 0.00 2.68 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 0.00 129 G 8.16 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 0.00 130 R 7.74 4.23 0.00 1.98 1.71 0.00 3.02 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 131 T 7.94 4.64 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 1.35 0.00 0.00 132 L 8.85 4.15 0.00 1.88 1.66 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.23 4.15 0.00 4.00 4.18 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 0.00 134 D 7.49 4.25 0.00 2.78 2.39 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 0.00 135 Y 7.38 4.50 0.00 3.05 2.94 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 0.00 136 N 7.61 3.95 0.00 2.83 3.28 0.00 0.00 6.97 7.50 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 0.00 137 I 7.17 3.93 1.59 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 -0.30 0.34 0.49 0.00 0.00 138 Q 8.25 4.64 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 139 K 8.32 3.93 0.00 1.90 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 140 E 8.97 4.20 0.00 2.24 2.27 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 2.39 2.71 0.00 141 S 7.83 4.58 0.00 4.03 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 0.00 142 T 8.67 5.21 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 1.23 0.00 0.00 143 L 8.85 5.00 0.00 1.73 1.57 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 144 H 8.95 5.19 0.00 3.09 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.68 4.96 0.00 1.79 1.56 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.52 4.86 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 0.95 0.00 0.00 0.94 0.00 0.00 147 L 8.42 4.62 0.00 1.67 1.66 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.52 4.19 0.00 1.59 1.89 0.00 3.19 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00