NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 F 4.7182 8.3249 119.4423 56.2957 40.4115 174.6394 22 P 4.2157 0.0000 0.0000 60.1070 31.6639 172.9370 23 P 3.7610 0.0000 0.0000 65.8924 31.9122 175.9045 24 G 3.8221 6.8687 106.0672 41.7664 0.0000 172.9315 25 H 4.9394 8.5225 121.2158 53.4504 32.1292 174.8600 26 F 4.3588 8.7118 121.4323 59.5248 37.6722 176.4950 27 K 4.0579 6.9478 119.4443 58.3072 32.3339 177.2240 28 D 4.4862 7.6280 118.6681 53.3242 41.2289 174.4094 29 P 4.6539 0.0000 0.0000 63.1819 32.5371 174.9341 30 K 4.8639 9.3516 119.4968 55.3652 37.4795 175.0310 31 R 5.1000 9.1306 119.7556 53.9270 33.0624 175.9893 32 L 5.0618 8.6497 122.9174 53.4227 43.3674 174.4517 33 Y 4.7202 9.1334 126.7106 57.0668 40.3279 173.4619 34 C 4.2954 8.5627 130.1479 57.9721 32.6753 174.8704 35 K 3.5768 8.4214 129.1211 57.6096 31.2503 173.1543 36 N 4.2815 7.4192 118.3287 54.8102 37.1575 174.3362 37 G 3.9093 8.4278 113.9800 44.0462 0.0000 171.5943 38 G 3.1699 7.0524 106.6296 46.4043 0.0000 173.4099 39 F 4.7597 7.4955 116.8378 55.7578 41.6200 175.2626 40 F 5.2161 9.7316 122.0630 56.1777 40.7583 175.1099 41 L 4.6596 9.3655 126.2761 55.3014 43.1867 175.4768 42 R 4.9036 9.7356 127.6009 54.5519 33.1636 174.2164 43 I 4.5187 8.5238 127.3332 59.7187 38.8460 175.4625 44 H 4.3701 9.1562 125.5964 54.6146 29.3245 175.3776 45 P 4.1829 0.0000 0.0000 65.5234 31.2673 177.0680 46 D 4.5978 8.0802 115.3009 53.1621 39.6969 177.2487 47 G 4.1178 8.4506 109.5480 45.6299 0.0000 174.1968 48 R 4.3609 7.5512 119.3976 55.9976 30.7136 175.7606 49 V 4.9297 7.9937 120.7395 61.2871 34.5624 174.5499 50 D 4.6521 8.4035 124.6006 53.2772 43.1399 174.3251 51 G 4.6001 8.6825 104.5359 45.3760 0.0000 172.4260 52 V 5.0511 9.0012 113.6426 60.1012 36.2784 176.2909 53 R 3.7969 8.8048 119.1914 56.8458 31.2720 176.6206 54 E 4.1766 8.3137 121.1725 55.9802 28.6428 177.4291 55 K 3.5098 8.8127 129.2505 57.2103 31.8269 175.9243 56 S 4.2428 7.9675 110.6633 60.4551 63.3625 174.2821 57 D 4.3232 8.1929 122.1935 54.1921 41.0526 175.5312 58 P 4.1046 0.0000 0.0000 65.2908 31.8248 176.4182 59 H 4.7903 9.1757 117.1525 55.6800 28.6266 176.0840 60 I 4.4883 7.2937 113.7766 60.1648 38.5327 175.5385 61 K 4.2578 7.8183 126.3553 55.0395 32.5444 181.1426 62 L 5.2056 9.3380 125.8463 51.8727 45.8024 175.6174 63 Q 4.6997 8.8787 122.1450 54.4445 31.4076 174.3099 64 L 4.9909 8.5649 126.6926 54.1520 43.4413 176.3102 65 Q 4.6504 8.7403 122.5557 54.5139 32.7165 173.7864 66 A 4.6919 8.8580 129.7958 52.1057 19.2555 176.5892 67 E 4.3017 8.9160 123.9676 57.4615 30.5598 175.2704 68 E 4.6019 7.6782 114.4210 54.8738 31.7932 174.3419 69 R 3.8479 8.6958 118.9825 58.2015 30.1873 176.4931 70 G 4.0246 9.0274 111.3109 45.9138 0.0000 172.3844 71 V 4.9210 7.9056 120.3419 61.1559 34.2781 174.8831 72 V 5.4016 9.1571 119.9402 60.0002 36.9495 174.0828 73 S 5.5081 9.0408 115.6287 55.9396 66.4468 173.4076 74 I 4.6809 8.3214 121.1593 59.6421 40.2592 174.0011 75 K 4.4737 8.7097 129.6229 54.0677 34.4816 175.3717 76 G 3.7970 8.7801 115.9360 46.1268 0.0000 174.1263 77 V 3.5525 8.4920 127.0617 66.1757 31.4738 177.4860 78 S 4.1300 7.8666 113.7091 61.5294 62.8991 175.7342 79 A 3.9727 8.1085 123.0652 53.5591 18.2343 176.6930 80 N 4.1247 7.7020 112.7051 54.7660 38.1855 173.5927 81 R 4.9321 7.4990 111.9921 54.2775 35.0673 174.0769 82 Y 4.8926 9.1264 118.8193 55.9668 40.4339 175.3539 83 L 4.5464 9.1239 126.3589 55.6433 43.4819 175.5855 84 A 5.7560 9.1767 125.8566 50.9597 23.2899 174.6370 85 M 5.0992 8.8530 122.6462 54.2784 34.3676 176.5529 86 K 4.6419 9.1198 130.6105 54.3698 32.9567 174.7520 87 E 3.3211 8.9950 114.2597 60.1178 29.3665 178.9684 88 D 4.4532 7.9501 117.1367 54.4507 39.8905 177.0804 89 G 3.6649 8.7472 110.8425 45.3056 0.0000 174.3089 90 R 4.2902 8.4668 120.7731 56.6450 30.8175 180.6716 91 L 5.1796 6.5391 120.5954 52.9634 43.9487 175.6641 92 L 4.7410 8.8238 122.2309 54.8394 44.8751 173.8275 93 A 5.2695 9.2189 121.1236 50.2304 21.3250 175.6019 94 S 4.7629 8.9926 120.3848 57.4702 64.9996 176.7142 95 K 4.2046 8.9222 123.7121 56.5726 31.9022 177.3901 96 S 4.7720 7.6846 112.2859 55.8247 64.9542 174.0060 97 V 3.1747 8.0161 124.4847 63.0696 31.6450 174.8155 98 T 4.7195 7.8306 116.5033 59.6705 71.6579 173.5744 99 D 4.7803 8.6269 118.9409 54.7872 39.8031 176.3275 100 E 4.2758 8.1920 119.4800 56.7572 29.8144 176.1563 101 C 4.8850 7.3193 116.0280 58.5361 29.6334 172.7969 102 F 5.1215 7.1100 117.8834 55.6231 41.8106 174.3148 103 F 5.2346 9.0972 120.6363 55.5887 43.7295 174.0025 104 F 4.8250 9.6639 122.3549 57.4770 39.8769 173.9759 105 E 4.8640 9.3384 126.2532 54.8397 30.8846 175.1804 106 R 4.5811 8.4702 126.4681 54.5541 33.8898 173.7565 107 L 4.9913 8.5780 128.4748 53.5102 42.0687 175.7665 108 E 4.3091 9.0768 126.7917 55.5864 30.1889 178.7466 109 S 4.1073 8.6036 114.8539 61.1550 62.9169 174.8931 110 N 4.6375 8.1648 116.1091 52.5319 37.4747 174.5850 111 N 4.3077 8.3838 115.3120 54.8031 36.5067 173.2583 112 Y 4.8663 8.0524 114.2153 56.4328 41.8408 174.5832 113 N 5.6058 9.9145 119.4188 52.1793 41.6007 174.3641 114 T 5.1619 8.5327 110.6373 60.2781 72.8929 172.6571 115 Y 4.8471 8.8757 120.4430 56.5672 40.9931 173.9198 116 R 4.9108 8.9240 126.0423 54.3271 31.7930 175.4998 117 S 4.4005 9.1953 121.7971 59.3548 62.7869 175.0579 118 R 3.8184 8.2978 127.4141 59.0073 30.0215 177.8810 119 K 3.6924 7.7950 119.2590 58.9939 32.5763 177.3506 120 Y 4.3072 7.1120 121.6712 55.8410 36.3541 176.5276 121 T 4.1835 7.8878 110.1484 62.4213 68.9560 175.5113 122 S 4.6424 7.5834 116.1139 58.0912 64.6975 173.4458 123 W 5.4120 8.0961 121.6643 55.5715 30.8850 174.9507 124 Y 5.4110 9.0716 121.6147 56.1119 40.0021 175.7471 125 V 4.0510 9.2329 122.8671 63.1643 32.9131 174.9194 126 A 4.9860 8.4961 127.3962 51.3842 23.0380 174.4052 127 L 5.0767 8.5003 120.8403 53.4967 45.3215 178.4196 128 K 4.1609 9.7260 128.1832 54.6328 32.3306 176.9910 129 R 4.2309 8.3785 117.4368 59.2321 29.3823 179.0116 130 T 4.1261 7.5015 104.9845 62.9236 69.5342 175.5783 131 G 2.7459 7.3519 109.7763 44.5454 0.0000 173.2080 132 Q 4.6893 7.1650 117.9420 54.2413 30.9515 175.0772 133 Y 4.8208 8.2153 122.3134 57.7411 39.3857 175.4898 134 K 4.7288 8.3809 122.9133 52.9204 34.6869 176.1828 135 L 4.0992 8.9154 124.7130 54.2958 42.4188 178.4644 136 G 3.7741 8.7892 113.0490 48.6778 0.0000 175.7774 137 S 3.1449 6.4637 112.7971 59.7455 62.8760 174.9169 138 K 4.4072 8.0121 119.5527 56.0875 32.0905 175.8607 139 T 5.1437 7.0199 108.9786 59.6659 71.0586 173.9454 140 G 4.3702 8.1294 109.5425 43.5375 0.0000 172.0728 141 P 3.8963 0.0000 0.0000 65.6524 30.9721 178.0239 142 G 3.6585 7.9033 105.6407 47.0833 0.0000 173.7002 143 Q 4.0812 7.7184 119.4838 56.2135 29.0342 176.9036 144 K 4.1481 8.2536 118.4977 56.7760 33.3877 177.9391 145 A 4.0125 7.7852 121.1200 54.3491 18.5856 178.3401 146 I 4.5140 7.3430 106.6280 60.0732 38.3640 175.1576 147 L 4.6359 7.1546 121.9405 53.9483 42.7580 175.5795 148 F 5.5363 9.5134 123.0288 55.6346 42.9703 174.1114 149 L 5.3330 9.8147 125.8241 52.5394 44.1435 173.7626 150 P 5.1273 0.0000 0.0000 63.3649 32.2981 175.5319 151 M 5.0274 9.2944 121.5687 53.2635 36.6614 174.8488 152 S 4.4929 8.7644 114.9046 57.8074 63.5422 173.5764 153 A 4.3162 8.3612 128.7269 53.1153 18.7586 178.3908 154 K 4.1709 7.6149 127.9115 55.7604 32.2372 177.1539 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 21 F 8.32 4.72 0.00 3.01 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 22 P 0.00 4.22 0.00 2.21 2.05 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 23 P 0.00 3.76 0.00 2.19 2.05 0.00 3.83 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 2.03 2.03 0.00 24 G 6.87 3.82 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 25 H 8.52 4.94 0.00 3.12 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.71 4.36 0.00 3.13 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 6.95 4.06 0.00 1.43 1.75 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.52 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.30 0.82 7.81 28 D 7.63 4.49 0.00 2.81 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 29 P 0.00 4.65 0.00 2.04 2.03 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 30 K 9.35 4.86 0.00 1.67 1.92 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.64 7.81 31 R 9.13 5.10 0.00 1.81 1.93 0.00 2.45 0.00 0.00 2.42 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 32 L 8.65 5.06 0.00 1.63 1.75 0.36 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 9.13 4.72 0.00 3.11 3.14 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 34 C 8.56 4.30 0.00 2.41 2.56 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 35 K 8.42 3.58 0.00 1.79 1.74 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.27 7.81 36 N 7.42 4.28 0.00 2.62 2.67 0.00 0.00 7.11 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 37 G 8.43 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 38 G 7.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.50 4.76 0.00 2.93 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 40 F 9.73 5.22 0.00 3.08 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 41 L 9.37 4.66 0.00 1.96 1.62 1.04 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 42 R 9.74 4.90 0.00 1.89 2.03 0.00 3.08 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.62 0.00 43 I 8.52 4.52 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.87 0.00 0.00 44 H 9.16 4.37 0.00 3.37 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.18 0.00 2.02 2.12 0.00 3.59 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 46 D 8.08 4.60 0.00 2.78 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 47 G 8.45 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 0.00 0.00 0.00 48 R 7.55 4.36 0.00 1.95 1.98 0.00 3.04 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 49 V 7.99 4.93 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 0.89 0.00 0.00 0.89 0.00 0.00 50 D 8.40 4.65 0.00 2.92 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 51 G 8.68 4.60 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 0.00 0.00 0.00 52 V 9.00 5.05 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 0.92 0.00 0.00 1.15 0.00 0.00 53 R 8.80 3.80 0.00 1.81 1.96 0.00 3.06 0.00 0.00 2.97 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.30 0.00 54 E 8.31 4.18 0.00 2.11 1.95 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 2.41 2.54 0.00 55 K 8.81 3.51 0.00 1.81 1.74 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.02 7.81 56 S 7.97 4.24 0.00 3.99 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 57 D 8.19 4.32 0.00 2.81 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 58 P 0.00 4.10 0.00 2.04 2.07 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 59 H 9.18 4.79 0.00 3.22 3.48 0.00 5.57 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.29 4.49 1.90 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 1.31 1.20 0.98 0.00 0.00 61 K 7.82 4.26 0.00 1.47 1.75 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.04 7.81 62 L 9.34 5.21 0.00 1.46 1.46 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.88 4.70 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 64 L 8.56 4.99 0.00 1.64 1.65 1.02 0.81 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 65 Q 8.74 4.65 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 66 A 8.86 4.69 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 67 E 8.92 4.30 0.00 1.96 1.69 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 1.47 1.95 0.00 68 E 7.68 4.60 0.00 2.06 1.88 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 2.07 2.18 0.00 69 R 8.70 3.85 0.00 1.79 1.94 0.00 3.37 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 70 G 9.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.91 4.92 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 0.86 0.00 0.00 0.88 0.00 0.00 72 V 9.16 5.40 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 0.84 0.00 0.00 1.24 0.00 0.00 73 S 9.04 5.51 0.00 3.86 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 74 I 8.32 4.68 1.68 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.71 0.68 0.00 0.00 75 K 8.71 4.47 0.00 1.25 1.38 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.73 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.94 0.52 7.81 76 G 8.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.49 3.55 2.11 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 0.75 0.00 0.00 0.92 0.00 0.00 78 S 7.87 4.13 0.00 4.00 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 79 A 8.11 3.97 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 80 N 7.70 4.12 0.00 2.87 2.83 0.00 0.00 6.95 7.66 0.00 0.00 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 R 7.50 4.93 0.00 1.72 1.77 0.00 3.19 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 82 Y 9.13 4.89 0.00 2.84 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 83 L 9.12 4.55 0.00 1.61 1.49 0.80 0.45 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 84 A 9.18 5.76 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 85 M 8.85 5.10 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 86 K 9.12 4.64 0.00 1.74 1.68 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.25 7.81 87 E 8.99 3.32 0.00 1.97 1.94 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 2.24 1.91 0.00 88 D 7.95 4.45 0.00 2.74 2.83 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 89 G 8.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 4.29 0.00 1.52 1.82 0.00 3.23 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 91 L 6.54 5.18 0.00 0.53 1.31 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.82 4.74 0.00 1.89 1.74 0.95 0.56 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 93 A 9.22 5.27 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 94 S 8.99 4.76 0.00 3.94 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 95 K 8.92 4.20 0.00 1.80 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 96 S 7.68 4.77 0.00 3.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.02 3.17 1.76 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 0.52 0.00 0.00 -0.53 0.00 0.00 98 T 7.83 4.72 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 1.24 0.00 0.00 99 D 8.63 4.78 0.00 2.75 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 0.00 100 E 8.19 4.28 0.00 2.03 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 2.20 2.23 0.00 101 C 7.32 4.88 0.00 2.23 2.49 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 0.00 102 F 7.11 5.12 0.00 2.64 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 0.00 103 F 9.10 5.23 0.00 3.10 3.10 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 0.00 104 F 9.66 4.82 0.00 3.09 2.99 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 0.00 105 E 9.34 4.86 0.00 2.25 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 2.21 1.94 0.00 106 R 8.47 4.58 0.00 1.96 1.74 0.00 3.19 0.00 0.00 3.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 107 L 8.58 4.99 0.00 1.70 1.62 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 108 E 9.08 4.31 0.00 2.43 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 2.49 2.43 0.00 109 S 8.60 4.11 0.00 3.99 4.03 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 0.00 110 N 8.16 4.64 0.00 3.02 3.04 0.00 0.00 6.11 8.04 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 0.00 111 N 8.38 4.31 0.00 2.80 2.87 0.00 0.00 6.73 8.26 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 0.00 112 Y 8.05 4.87 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 9.91 5.61 0.00 2.94 2.40 0.00 0.00 6.87 6.93 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 0.00 114 T 8.53 5.16 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 1.33 0.00 0.00 115 Y 8.88 4.85 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.92 4.91 0.00 1.79 1.97 0.00 3.02 0.00 0.00 2.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.00 117 S 9.20 4.40 0.00 4.21 4.11 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 0.00 118 R 8.30 3.82 0.00 1.15 1.57 0.00 3.03 0.00 0.00 2.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.00 0.00 119 K 7.80 3.69 0.00 1.42 0.74 0.00 1.70 0.00 0.00 1.35 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.93 7.81 120 Y 7.11 4.31 0.00 2.82 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 0.00 0.00 0.00 121 T 7.89 4.18 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 122 S 7.58 4.64 0.00 3.79 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 0.00 123 W 8.10 5.41 0.00 3.46 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 9.07 5.41 0.00 2.94 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 0.00 125 V 9.23 4.05 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 0.68 0.00 0.00 0.46 0.00 0.00 126 A 8.50 4.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.50 5.08 0.00 1.40 1.37 1.00 0.99 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 0.00 128 K 9.73 4.16 0.00 1.54 1.68 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.25 7.81 129 R 8.38 4.23 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 130 T 7.50 4.13 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 1.16 0.00 0.00 131 G 7.35 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 0.00 0.00 0.00 132 Q 7.16 4.69 0.00 1.79 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 133 Y 8.22 4.82 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.38 4.73 0.00 1.50 1.59 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.25 7.81 135 L 8.92 4.10 0.00 1.59 1.41 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.79 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 0.00 137 S 6.46 3.14 0.00 3.67 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 0.00 138 K 8.01 4.41 0.00 1.75 1.80 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.24 7.81 139 T 7.02 5.14 4.41 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 1.41 0.00 0.00 140 G 8.13 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 0.00 0.00 0.00 0.00 141 P 0.00 3.90 0.00 2.20 2.34 0.00 3.89 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 142 G 7.90 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.72 4.08 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 144 K 8.25 4.15 0.00 1.66 1.67 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.21 7.81 145 A 7.79 4.01 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 0.00 146 I 7.34 4.51 1.81 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.89 0.00 0.00 147 L 7.15 4.64 0.00 1.18 1.03 0.57 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 148 F 9.51 5.54 0.00 3.30 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 0.00 149 L 9.81 5.33 0.00 2.15 1.91 0.66 0.12 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 0.00 150 P 0.00 5.13 0.00 2.24 2.22 0.00 3.91 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 2.10 2.15 0.00 151 M 9.29 5.03 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.50 0.00 152 S 8.76 4.49 0.00 3.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.36 4.32 1.27 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 0.00 0.00 0.00 154 K 7.61 4.17 0.00 1.86 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.23 7.81