NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 4.0943 8.2133 109.7723 44.8389 0.0000 177.1985 0 S 3.9934 9.0319 120.7091 61.4857 62.3044 173.1548 1 M 4.0537 8.7645 122.8399 58.6098 32.2215 177.3942 2 A 4.0956 7.9976 119.4271 55.3662 19.0914 179.1119 3 L 3.5429 8.0430 118.7100 58.3131 42.0068 179.3712 4 K 4.0298 7.9478 117.8162 58.9711 32.0231 179.2642 5 R 3.8848 7.9161 119.1839 59.3511 29.9597 178.7465 6 I 3.5217 8.3544 119.8773 64.2932 36.9930 177.7932 7 Q 3.9135 7.7935 120.5461 59.3701 28.5332 179.0830 8 K 3.9310 8.1120 119.9717 59.6815 32.4448 178.5234 9 E 4.0663 8.4241 118.5960 58.6294 29.3765 178.8256 10 L 4.4203 7.8950 120.7157 57.9273 42.4047 178.6981 11 S 4.2822 8.2730 114.3105 61.2203 62.7898 175.9845 12 D 4.4698 9.5352 120.2951 56.8808 41.1764 177.4151 13 L 4.2076 7.5029 119.7441 57.0385 42.5573 176.6165 14 Q 4.3947 8.2018 120.7219 54.7476 29.7785 175.2472 15 R 4.6427 7.7707 134.2989 56.7156 31.5975 173.1852 16 D 4.7828 7.8307 117.6365 51.2109 41.3614 172.3629 17 P 4.8653 0.0000 0.0000 61.1572 31.8257 176.1647 18 P 4.0486 0.0000 0.0000 63.6900 31.4362 177.2137 19 A 3.9081 7.6104 117.2113 53.1239 16.9817 176.6747 20 H 4.9508 8.1107 112.8415 56.1970 32.9318 172.3027 21 C 5.3677 8.0291 113.4568 59.1183 32.7486 173.1862 22 S 4.7864 8.5134 112.7046 57.6864 66.0705 173.3052 23 A 5.4706 7.4643 122.1225 52.0714 22.0977 175.3536 24 G 3.0931 8.0312 106.0285 44.3038 0.0000 170.7626 25 P 4.4545 0.0000 0.0000 62.3667 31.8437 176.0065 26 V 3.6816 8.8692 124.9037 63.0833 32.4546 176.5739 27 G 3.9679 8.5565 117.5125 46.0080 0.0000 172.8112 28 D 4.7092 8.4625 115.3467 54.0896 41.0682 177.5587 29 D 4.6873 7.6350 118.9698 52.3589 42.6101 175.4354 30 L 4.3468 8.4638 126.4683 56.6881 41.9801 178.3941 31 F 4.4393 8.4749 116.8100 58.4855 39.4998 174.2537 32 H 5.7732 8.7389 121.6626 54.3664 32.6783 172.3386 33 W 5.5263 10.5333 125.0421 54.9689 33.3837 173.9691 34 Q 5.1311 9.0989 120.2263 54.7878 32.4750 173.4444 35 A 5.2660 9.2388 124.6997 51.1143 23.5069 175.7405 36 T 5.2619 9.0649 115.6687 63.5802 72.5593 173.2117 37 I 4.5138 8.3768 120.2981 59.3600 40.8594 174.3363 38 M 4.9473 8.1444 123.2509 53.4810 33.9034 176.4113 39 G 4.5795 8.4285 109.5438 45.2706 0.0000 171.7554 40 P 4.6999 0.0000 0.0000 62.0576 32.3357 174.3572 41 P 4.7361 0.0000 0.0000 63.8249 31.8239 175.8354 42 D 4.7270 9.0878 119.1642 54.7782 38.0423 173.9594 43 S 4.7694 7.8436 112.1953 55.9492 65.9119 174.7978 44 A 3.9294 8.4367 124.0941 55.6577 18.3189 178.6711 45 Y 5.1001 7.4655 111.9149 57.6427 37.4877 174.9318 46 Q 4.1030 8.0320 122.0307 58.0740 29.3011 177.6452 47 G 4.2402 8.9860 111.6487 46.1393 0.0000 173.1809 48 G 3.9071 7.5154 106.6605 44.5534 0.0000 173.5978 49 V 4.3014 7.8512 121.8909 60.8639 33.3687 174.7630 50 F 5.0765 8.3696 126.9099 55.7515 41.7597 174.7529 51 F 5.2956 9.2704 122.2290 56.1524 41.1931 174.9627 52 L 5.2208 9.0582 122.2360 53.0341 45.9066 175.4591 53 T 4.9165 8.3747 111.4098 60.0886 70.5421 173.1761 54 V 4.2677 8.6695 127.6025 61.3268 33.5144 173.4972 55 H 5.3259 8.7220 128.9455 54.4355 31.9948 173.0358 56 F 4.5013 9.8971 126.4587 55.7207 39.9820 174.2880 57 P 4.4495 0.0000 0.0000 62.5636 32.1532 177.1064 58 T 4.0298 8.2869 114.6151 65.0144 68.2724 174.6457 59 D 5.3011 8.0105 121.9591 54.1322 41.6334 175.4683 60 Y 4.5523 8.4025 119.8652 57.2605 39.7461 173.2188 61 P 3.5482 0.0000 0.0000 62.4239 31.5986 176.7391 62 F 4.6048 6.7245 116.6361 59.0919 38.5534 175.9093 63 K 4.8795 8.2621 122.0039 51.9378 35.4603 179.1092 64 P 2.0000 0.0000 0.0000 60.3210 31.8593 174.1991 65 P 3.8836 0.0000 0.0000 61.9448 32.4132 176.0096 66 K 4.2396 8.3983 126.1848 55.5080 32.6960 175.4161 67 I 5.6570 8.1126 119.7169 58.5417 41.2661 173.9522 68 A 4.6048 7.7831 120.3436 51.2033 23.5180 175.2125 69 F 4.7505 9.5112 118.9806 57.5365 39.6203 177.5126 70 T 4.2081 9.6865 122.2706 66.0106 69.2553 175.4681 71 T 4.7198 8.1313 117.2977 61.7928 69.9241 175.5792 72 K 4.2475 8.7846 125.5763 56.8237 32.8157 176.4909 73 I 4.8412 7.9159 121.8190 60.1364 41.0151 175.1966 74 Y 3.6513 8.4643 125.5880 56.1184 37.2102 173.2975 75 H 5.6801 7.7820 122.4704 52.0311 33.5131 172.4318 76 P 4.2029 0.0000 0.0000 64.8535 31.6978 177.2125 77 N 4.9450 7.8861 115.6322 52.6717 38.8733 173.7111 78 I 4.9746 7.5594 118.9263 58.5921 40.6690 175.0184 79 N 4.7917 8.3288 123.6970 51.1186 39.6985 175.3961 80 S 4.1229 8.5277 111.6099 61.4535 62.7041 174.6801 81 N 4.5238 8.1831 116.9714 53.1900 38.9284 176.6408 82 G 4.6199 8.2638 107.2221 46.3745 0.0000 174.1085 83 S 4.3887 7.3693 115.6148 59.1334 63.4424 173.1280 84 I 4.6549 8.2032 123.2649 59.5922 39.6918 175.7200 85 C 4.4427 8.4845 129.0008 57.3555 29.6453 170.8699 86 L 4.7798 7.6112 124.4707 52.1794 43.9876 176.5955 87 D 4.3878 8.8849 125.7769 56.5707 39.6647 178.4349 88 I 4.3423 8.1507 120.9288 63.2793 38.0834 177.4404 89 L 4.1085 7.7133 123.1632 57.8310 42.0747 178.1511 90 R 4.6513 7.7624 112.2154 56.2875 33.1583 180.9021 91 S 4.4447 9.6888 110.9185 60.6115 62.6708 174.6891 92 Q 4.3577 7.8077 117.0296 55.0772 29.4425 174.8228 93 W 4.5116 7.7645 126.6814 58.8139 31.2875 175.1239 94 S 4.3267 7.2885 118.4128 55.4606 65.5276 172.9284 95 P 3.8147 0.0000 0.0000 65.6940 31.3872 177.6458 96 A 3.9119 7.0405 120.1912 54.9606 18.3484 177.9829 97 L 3.8479 6.6458 113.6308 55.8312 42.3247 177.4020 98 T 4.9241 8.1004 114.5079 59.4527 71.7636 174.7379 99 V 3.5995 8.9370 125.1495 66.5040 31.2540 178.3122 100 S 4.1982 8.2728 111.8276 61.6654 62.6499 176.0632 101 K 4.0561 7.9622 122.3287 59.3934 32.0141 178.6613 102 V 3.6224 8.1189 118.5956 66.0077 31.2463 177.5985 103 L 4.0503 7.7329 119.6903 57.7288 41.9735 178.7459 104 L 4.0675 8.2596 119.6237 57.6586 41.4892 179.6001 105 S 4.1504 8.0006 114.7846 61.6393 62.8510 176.5923 106 I 3.7696 7.5816 122.4422 64.5720 36.3814 178.1002 107 C 4.1619 8.2448 119.5025 62.3609 31.2244 175.9671 108 S 3.9922 8.0649 116.8129 61.5728 62.3331 176.0678 109 L 3.9273 8.1132 121.9607 58.2508 41.7062 178.6568 110 L 3.9577 7.8042 118.0467 57.9721 41.6919 178.8983 111 C 4.5266 7.5656 116.4817 61.2933 32.6213 173.6920 112 D 4.8548 7.9944 122.8772 51.7449 40.1337 174.1196 113 P 4.4897 0.0000 0.0000 61.5894 32.6322 176.1271 114 N 4.8919 8.2407 116.1067 50.3339 37.7749 173.8626 115 P 4.1481 0.0000 0.0000 65.2400 31.9260 177.4768 116 D 4.4617 8.2962 117.9893 55.4912 39.6361 176.0660 117 D 4.8693 7.2959 118.2524 51.5811 40.5940 173.1182 118 P 4.6713 0.0000 0.0000 61.9586 32.9218 176.6689 119 L 4.4683 8.9199 119.9322 54.8827 43.6753 177.2317 120 V 4.1949 7.1892 116.3367 59.8145 32.8940 173.3058 121 P 4.1014 0.0000 0.0000 66.0315 31.3506 177.4955 122 D 4.3044 7.9706 115.8302 57.4855 41.4419 178.3647 123 I 3.7426 7.6673 119.6774 64.0547 36.9985 177.9955 124 A 4.2018 8.0025 121.7853 54.8796 18.4546 179.3864 125 Q 3.9352 8.6606 118.6011 59.2245 28.9754 178.4175 126 I 3.7829 8.3733 120.2371 64.0319 37.8848 176.8542 127 Y 4.5050 7.9235 119.0673 61.0150 38.6256 177.8385 128 K 3.7164 8.0827 119.2056 59.5397 32.4066 178.4808 129 S 4.4588 7.9254 113.8804 60.0602 63.4167 174.2825 130 D 4.5682 8.9208 125.0753 51.4402 43.8625 175.9315 131 K 4.2928 8.7308 127.5060 59.8993 33.0350 179.2482 132 E 4.2460 8.1142 119.2947 59.7491 29.7639 181.3853 133 K 4.4369 7.9255 116.2117 59.2262 32.7188 177.9760 134 Y 3.8351 7.5174 119.2560 60.7911 38.7192 177.7875 135 N 4.6143 8.7467 118.8757 55.1802 37.4416 177.1791 136 R 4.0183 7.4998 122.1341 60.1621 29.8618 182.2904 137 H 4.9015 7.5753 114.0147 57.0713 31.5948 175.5450 138 A 3.6761 7.2714 122.6858 54.8246 18.0280 179.8647 139 R 4.1683 7.3437 117.7270 59.0132 29.8357 179.0686 140 E 4.0703 8.1890 117.5331 58.7461 29.4548 178.9960 141 W 4.0945 8.1249 119.1492 59.2689 29.4255 178.7909 142 T 4.3024 8.1874 116.1279 66.6184 68.0332 175.9661 143 Q 4.3035 8.2411 116.7226 56.7820 29.1385 176.0691 144 K 4.1553 7.2829 118.3344 56.7970 33.2084 175.8503 145 Y 4.9433 8.1957 111.8922 57.8095 40.5180 175.1886 146 A 4.6072 8.3730 121.6542 51.7578 20.2339 176.2887 147 M 4.1982 8.0786 122.7914 56.4785 32.1639 176.3066 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 -1 G 8.21 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 9.03 3.99 0.00 4.00 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 1 M 8.76 4.05 0.00 2.27 2.15 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 3.26 2.72 0.00 2 A 8.00 4.10 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.04 3.54 0.00 1.68 1.66 0.69 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.95 4.03 0.00 2.03 1.82 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.59 7.81 5 R 7.92 3.88 0.00 1.91 2.07 0.00 3.07 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.84 0.00 6 I 8.35 3.52 1.66 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 0.21 0.19 0.62 0.00 0.00 7 Q 7.79 3.91 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 8 K 8.11 3.93 0.00 2.02 1.91 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 9 E 8.42 4.07 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.75 0.00 10 L 7.89 4.42 0.00 2.25 1.97 0.87 0.81 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 11 S 8.27 4.28 0.00 3.89 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 12 D 9.54 4.47 0.00 2.79 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 13 L 7.50 4.21 0.00 2.26 1.96 1.36 0.88 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 14 Q 8.20 4.39 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 15 R 7.77 4.64 0.00 1.80 1.91 0.00 3.22 0.00 0.00 3.52 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 16 D 7.83 4.78 0.00 2.68 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 17 P 0.00 4.87 0.00 2.19 2.00 0.00 3.90 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 18 P 0.00 4.05 0.00 2.21 2.15 0.00 3.77 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 19 A 7.61 3.91 1.40 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 0.00 0.00 20 H 8.11 4.95 0.00 3.15 3.20 0.00 5.53 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.03 5.37 0.00 2.87 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 22 S 8.51 4.79 0.00 3.83 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 23 A 7.46 5.47 1.50 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 0.00 0.00 24 G 8.03 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 0.00 0.00 0.00 25 P 0.00 4.45 0.00 1.92 1.77 0.00 3.02 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 1.65 1.64 0.00 26 V 8.87 3.68 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 0.93 0.00 0.00 0.92 0.00 0.00 27 G 8.56 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 28 D 8.46 4.71 0.00 2.68 2.68 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 29 D 7.63 4.69 0.00 2.62 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 30 L 8.46 4.35 0.00 1.52 1.55 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.47 4.44 0.00 3.45 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 32 H 8.74 5.77 0.00 3.40 3.31 0.00 5.72 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 10.53 5.53 0.00 3.45 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 34 Q 9.10 5.13 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 35 A 9.24 5.27 1.18 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 36 T 9.06 5.26 4.05 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 0.00 0.00 0.72 0.00 0.00 37 I 8.38 4.51 1.95 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 1.51 1.19 0.91 0.00 0.00 38 M 8.14 4.95 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 39 G 8.43 4.58 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 40 P 0.00 4.70 0.00 2.19 2.09 0.00 3.85 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 41 P 0.00 4.74 0.00 2.22 2.11 0.00 3.52 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 42 D 9.09 4.73 0.00 2.92 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 43 S 7.84 4.77 0.00 4.05 4.07 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 44 A 8.44 3.93 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 0.00 0.00 0.00 0.00 0.00 45 Y 7.47 5.10 0.00 3.15 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 46 Q 8.03 4.10 0.00 2.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.04 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 47 G 8.99 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 0.00 0.00 0.00 0.00 48 G 7.52 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.85 4.30 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 0.41 0.00 0.00 0.83 0.00 0.00 50 F 8.37 5.08 0.00 3.04 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 51 F 9.27 5.30 0.00 3.10 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 52 L 9.06 5.22 0.00 1.37 1.35 -0.23 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.37 4.92 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 1.27 0.00 0.00 54 V 8.67 4.27 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 0.17 0.00 0.00 0.89 0.00 0.00 55 H 8.72 5.33 0.00 3.40 3.14 0.00 5.82 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 56 F 9.90 4.50 0.00 3.18 2.88 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 57 P 0.00 4.45 0.00 2.26 2.10 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 58 T 8.29 4.03 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 1.15 0.00 0.00 59 D 8.01 5.30 0.00 2.82 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 60 Y 8.40 4.55 0.00 3.29 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 61 P 0.00 3.55 0.00 1.67 1.24 0.00 2.57 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 62 F 6.72 4.60 0.00 3.12 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 63 K 8.26 4.88 0.00 1.75 1.50 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.23 7.81 64 P 0.00 2.00 0.00 1.56 0.95 0.00 3.50 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 65 P 0.00 3.88 0.00 1.39 0.87 0.00 2.99 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 66 K 8.40 4.24 0.00 1.64 1.66 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.47 7.81 67 I 8.11 5.66 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.15 0.69 0.00 0.00 68 A 7.78 4.60 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 69 F 9.51 4.75 0.00 3.10 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 70 T 9.69 4.21 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 1.25 0.00 0.00 71 T 8.13 4.72 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 1.60 0.00 0.00 72 K 8.78 4.25 0.00 1.48 1.87 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.38 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.10 7.81 73 I 7.92 4.84 1.42 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.35 0.10 0.00 0.00 74 Y 8.46 3.65 0.00 2.14 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 75 H 7.78 5.68 0.00 3.04 2.85 0.00 5.96 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.20 0.00 2.14 2.30 0.00 3.13 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.40 0.00 77 N 7.89 4.94 0.00 2.79 2.82 0.00 0.00 6.90 7.33 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 78 I 7.56 4.97 1.54 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.05 0.53 0.00 0.00 79 N 8.33 4.79 0.00 2.86 2.93 0.00 0.00 5.99 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.53 4.12 0.00 4.01 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 81 N 8.18 4.52 0.00 2.86 2.89 0.00 0.00 7.17 7.87 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 82 G 8.26 4.62 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 83 S 7.37 4.39 0.00 3.92 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 84 I 8.20 4.65 2.20 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.98 0.95 0.00 0.00 85 C 8.48 4.44 0.00 2.95 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 86 L 7.61 4.78 0.00 1.75 1.48 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.88 4.39 0.00 2.97 2.93 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 0.00 0.00 0.00 88 I 8.15 4.34 1.94 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 1.43 1.51 0.97 0.00 0.00 89 L 7.71 4.11 0.00 1.66 1.66 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.76 4.65 0.00 1.80 1.73 0.00 3.31 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 91 S 9.69 4.44 0.00 3.85 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 92 Q 7.81 4.36 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 93 W 7.76 4.51 0.00 3.44 3.05 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 0.00 0.00 0.00 94 S 7.29 4.33 0.00 3.75 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 95 P 0.00 3.81 0.00 1.86 1.97 0.00 3.47 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 96 A 7.04 3.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 6.65 3.85 0.00 1.05 1.63 0.94 0.63 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 98 T 8.10 4.92 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 99 V 8.94 3.60 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 0.68 0.00 0.00 0.97 0.00 0.00 100 S 8.27 4.20 0.00 4.12 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 0.00 101 K 7.96 4.06 0.00 1.88 2.11 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.52 7.81 102 V 8.12 3.62 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 0.94 0.00 0.00 1.14 0.00 0.00 103 L 7.73 4.05 0.00 1.79 1.80 0.87 1.10 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 0.00 104 L 8.26 4.07 0.00 1.85 1.71 0.94 0.81 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 0.00 105 S 8.00 4.15 0.00 4.08 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 I 7.58 3.77 2.01 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 1.03 0.00 0.00 107 C 8.24 4.16 0.00 3.19 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 0.00 108 S 8.06 3.99 0.00 4.12 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 0.00 109 L 8.11 3.93 0.00 1.68 1.97 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.80 3.96 0.00 1.90 1.81 0.85 0.25 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 0.00 111 C 7.57 4.53 0.00 2.95 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 0.00 112 D 7.99 4.85 0.00 2.70 2.62 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 0.00 113 P 0.00 4.49 0.00 1.72 1.87 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.90 0.00 114 N 8.24 4.89 0.00 2.96 3.01 0.00 0.00 5.68 7.76 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 0.00 115 P 0.00 4.15 0.00 2.30 2.61 0.00 3.89 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 116 D 8.30 4.46 0.00 2.79 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 0.00 117 D 7.30 4.87 0.00 2.62 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 0.00 118 P 0.00 4.67 0.00 2.19 2.11 0.00 3.82 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 1.97 1.95 0.00 119 L 8.92 4.47 0.00 1.50 1.78 0.90 0.99 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 0.00 120 V 7.19 4.19 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 0.89 0.00 0.00 0.83 0.00 0.00 121 P 0.00 4.10 0.00 2.18 2.08 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 122 D 7.97 4.30 0.00 2.77 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 0.00 123 I 7.67 3.74 1.80 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.59 0.72 0.00 0.00 124 A 8.00 4.20 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.66 3.94 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 126 I 8.37 3.78 1.99 0.00 0.00 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 1.75 1.27 1.31 0.00 0.00 127 Y 7.92 4.50 0.00 3.03 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 0.00 128 K 8.08 3.72 0.00 1.85 1.80 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.38 7.81 129 S 7.93 4.46 0.00 4.08 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 0.00 130 D 8.92 4.57 0.00 2.66 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 0.00 131 K 8.73 4.29 0.00 1.92 1.84 0.00 1.46 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.46 7.81 132 E 8.11 4.25 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.84 0.00 133 K 7.93 4.44 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.45 7.81 134 Y 7.52 3.84 0.00 3.39 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 0.00 135 N 8.75 4.61 0.00 2.96 3.16 0.00 0.00 7.24 7.16 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 0.00 136 R 7.50 4.02 0.00 1.92 1.88 0.00 3.22 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 137 H 7.58 4.90 0.00 2.97 2.47 0.00 5.84 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 0.00 138 A 7.27 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.34 4.17 0.00 1.98 2.01 0.00 3.15 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 140 E 8.19 4.07 0.00 2.17 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 2.42 2.54 0.00 141 W 8.12 4.09 0.00 3.59 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.19 4.30 4.61 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 1.55 0.00 0.00 143 Q 8.24 4.30 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 144 K 7.28 4.16 0.00 1.49 1.39 0.00 1.39 0.00 0.00 1.04 0.00 0.00 2.52 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.86 7.81 145 Y 8.20 4.94 0.00 3.30 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 0.00 146 A 8.37 4.61 0.81 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 0.00 0.00 147 M 8.08 4.20 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00