NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.7298 8.2893 120.3258 55.5433 33.2431 174.3814 4 I 4.6896 8.5615 118.3850 58.8894 40.7205 173.2387 5 G 4.2611 9.3123 110.7819 44.5581 0.0000 172.5705 6 Y 5.1220 8.1184 120.4239 55.1927 42.2965 174.2092 7 F 5.0953 9.4690 120.3913 56.1035 40.7895 174.7007 8 A 5.1155 9.1532 126.6996 50.7604 21.2287 175.1814 9 E 5.0261 8.8076 121.4583 54.6577 31.0342 175.1718 10 I 4.7627 8.9864 127.7043 59.1519 41.6652 174.7685 11 D 5.0287 8.5866 127.7738 52.2087 41.3581 177.4047 12 S 4.3418 8.8384 115.3891 61.8693 62.8088 176.5130 13 E 3.9730 8.2540 121.2393 59.4032 29.4100 178.9899 14 K 4.0010 8.6453 118.5677 59.4960 32.1435 179.3099 15 I 3.6874 7.9037 118.9305 64.1088 37.6560 177.6993 16 N 4.4759 8.1788 116.5419 56.4141 38.4627 176.8865 17 Q 4.1768 8.0196 122.2171 59.5063 29.4210 178.8177 18 L 4.1841 7.8973 123.5035 59.3963 40.9513 181.7121 19 L 4.4801 8.0510 117.0731 55.8311 41.4308 178.7052 20 E 4.0549 7.6193 119.1331 58.8405 30.0477 177.2764 *30 I 4.1639 7.4849 117.6237 61.2857 39.9602 176.8878 31 H 4.3675 7.8906 116.1250 58.1925 28.1958 177.2227 32 D 4.4318 7.9706 120.3029 57.3396 41.1929 178.3074 33 T 4.0723 7.8687 116.3545 66.5291 68.4959 176.8665 34 L 4.0705 7.9331 120.6669 57.8712 41.5557 179.5631 35 S 4.0818 7.9341 111.5825 60.4686 62.8689 175.1476 36 G 3.8932 7.7047 107.9655 45.5747 0.0000 173.8863 37 L 4.3368 7.6215 120.6658 53.8275 42.7535 176.7263 38 R 4.3217 8.3270 122.8535 56.6971 31.3430 175.1502 39 R 5.1637 8.2578 119.4179 55.1359 32.9145 173.5997 40 L 4.5910 9.0224 122.9076 53.7380 43.8048 174.4493 41 D 5.3258 8.8535 126.9465 52.1811 42.7325 176.0980 42 I 4.6188 8.4150 121.8491 61.3969 39.6213 177.8778 43 D 4.2886 8.2406 127.3736 56.8446 42.2079 174.5471 44 K 4.9891 8.9370 110.9617 56.5873 32.3996 176.9141 45 R 4.1227 8.2135 117.1197 55.7600 30.2444 177.7064 46 W 4.3513 7.7899 118.7375 59.8688 28.0697 177.6121 47 D 4.3077 6.6301 118.1429 56.5861 40.6303 178.0286 48 F 4.6936 7.6639 118.2225 60.4777 39.0330 177.0860 49 L 4.0016 8.1743 119.9734 58.5154 41.9627 178.4521 50 H 4.1500 8.6121 118.3141 59.3247 29.7646 176.9818 51 F 4.9337 8.6851 124.2968 60.9278 39.0808 177.4082 52 G 3.8408 8.8613 104.7099 47.1891 0.0000 174.7823 53 L 4.4825 7.7074 119.1674 55.3182 42.4355 177.3635 54 T 4.3142 7.9552 107.0170 60.5564 70.6155 175.3346 55 G 3.4611 8.8137 109.6718 45.1388 0.0000 172.4574 56 T 4.9603 7.8750 108.9613 59.6297 72.4386 172.9887 57 S 4.7120 8.5438 115.5552 57.1879 63.4859 174.7968 58 A 3.6119 9.1388 128.8045 54.9739 18.1712 179.4987 59 F 4.7353 7.8187 114.0250 60.4621 39.5219 175.7928 60 D 4.8837 7.8046 119.1667 52.5864 41.8333 172.5628 61 P 4.6907 0.0000 0.0000 61.1190 32.8727 177.0642 62 A 4.2131 8.3112 122.0926 51.7606 18.9441 177.8293 63 K 3.9688 8.5464 120.6261 57.7977 33.1024 177.1163 64 N 3.9642 8.6393 121.2055 54.6048 36.9503 174.2006 65 D 4.8004 7.4232 117.5066 51.7262 43.4589 173.2904 66 P 4.2934 0.0000 0.0000 66.0499 30.7210 178.2289 67 L 4.0526 8.0883 118.2553 57.3913 41.4787 179.3034 68 S 3.9286 7.8503 112.9595 61.3947 62.4233 176.2305 69 R 4.3192 8.1631 120.3270 58.7857 29.5145 178.7784 70 A 3.9931 7.6952 119.7096 54.1791 18.3349 178.9636 71 V 4.0937 6.9814 115.3427 64.9490 32.7507 177.0735 72 L 4.0855 8.3796 117.9257 55.1494 42.0879 177.4566 73 G 4.2547 7.9655 105.8521 44.7184 0.0000 173.7227 74 E 4.0675 8.4588 120.9296 58.5983 30.3854 177.0543 75 H 4.8472 8.6571 117.6824 53.5866 31.6873 173.5790 76 S 4.5022 8.8436 119.2550 58.5392 62.3963 173.3972 77 L 4.2867 9.0728 127.0174 56.1499 43.0336 177.1032 *84 F 4.4555 7.6790 116.3347 57.1038 40.7828 174.2402 85 L 4.8900 8.3660 125.0175 53.6099 45.2584 174.7923 86 G 4.8995 9.1408 113.2574 43.2009 0.0000 170.4604 87 L 5.1627 9.0868 125.1940 53.1735 45.3141 175.2822 88 T 4.9577 8.5431 121.8143 61.2872 71.8009 173.9511 89 W 4.5635 9.5347 127.5960 56.2902 30.2626 176.7653 90 N 4.3549 9.8678 120.2929 57.3999 38.0083 177.2335 91 Q 4.1127 8.2604 116.3449 58.9435 29.0498 177.4835 92 E 4.2844 8.6589 120.2835 57.9456 29.7795 178.4511 93 L 3.8043 7.7394 119.3922 57.4805 41.6016 179.0731 94 A 3.9773 8.0337 120.0912 55.1671 18.2733 179.4177 95 A 3.9404 7.8865 118.6551 55.5097 18.5523 179.7809 96 T 3.7567 7.6847 113.8031 66.8502 68.4649 176.8453 97 I 3.7508 8.2182 121.9375 64.5394 37.1599 178.0184 98 D 4.3381 8.2149 118.7561 57.3188 40.8009 178.4528 99 R 3.9331 7.9815 117.8330 59.2268 30.2821 178.8248 100 L 4.1402 7.9200 118.6631 57.9728 41.4903 179.4561 101 E 4.0222 8.3393 117.5186 59.3826 29.4402 179.1776 102 S 4.2956 8.0639 113.7144 59.3403 63.4119 174.8584 103 L 3.9628 7.0153 121.6586 54.9297 42.0976 176.8683 104 D 4.6146 8.5261 121.5684 53.4381 42.1322 177.4075 105 R 4.0765 8.6199 127.2768 59.5383 30.1743 178.7387 106 N 4.3734 8.2529 115.9218 56.0710 38.6429 176.9456 107 E 3.9591 8.5849 120.9530 59.0935 29.4903 178.8512 108 L 4.0471 7.7818 118.4203 57.5865 41.9963 179.1395 109 R 2.5278 7.6174 118.2387 58.9091 29.7581 178.3367 110 K 3.7889 7.6088 117.8753 59.7384 32.1743 178.1376 111 Q 4.1417 7.8232 118.5726 57.3660 29.1020 175.9206 112 F 4.3164 7.5147 123.0288 57.7506 40.0044 174.8106 113 S 4.6691 7.9422 121.1814 55.6604 65.7096 174.2953 114 I 3.5277 8.8538 130.9914 64.2211 36.9555 178.6844 115 K 3.9092 7.9159 119.2277 60.1278 32.3970 178.9995 116 R 3.9238 7.8977 119.6273 58.8060 29.6463 178.2805 117 L 3.0592 7.7725 120.2751 57.9636 41.8208 178.7820 118 N 4.3941 8.1474 115.5655 56.0184 38.1331 177.1347 119 E 4.1152 8.0558 120.1762 59.6353 29.5790 178.9899 120 M 4.1317 8.3196 116.9843 55.8649 32.9292 175.9576 121 E 3.7494 7.6287 116.8909 57.2917 27.8081 175.2890 122 I 4.0316 7.2116 118.3736 61.0058 38.2605 176.1144 123 Y 4.2379 9.1511 126.7574 57.3644 39.0052 174.1479 124 P 2.9700 0.0000 0.0000 62.4696 31.1696 177.2331 125 G 3.8207 8.3952 107.2047 45.6535 0.0000 174.2958 126 V 3.7357 7.1437 113.6395 60.3274 32.2722 176.3594 127 T 4.1643 8.0603 114.8583 61.5681 69.4148 173.3984 128 F 5.0112 8.6568 120.7034 55.6414 42.7593 175.2589 129 S 4.5610 8.4978 118.2265 57.8762 63.9224 175.7375 130 E 3.9985 8.7653 123.1476 59.1733 29.5073 179.0098 131 E 3.9625 8.2614 118.6710 58.6462 29.9127 177.6070 132 L 4.5700 7.9723 117.6151 54.4237 41.8031 177.8301 133 E 4.1556 8.1064 122.4397 59.5160 29.5049 179.2443 134 G 3.6497 8.0728 105.1637 47.9821 0.0000 175.5341 135 Q 3.9628 7.9892 120.1661 58.4544 28.8163 178.4367 136 L 3.6618 8.0557 121.5635 57.8782 42.0554 178.7277 137 F 3.1994 8.1877 120.3888 61.0006 39.2828 176.8260 138 A 3.7677 8.1457 120.5133 55.2052 18.1953 179.4862 139 S 3.9548 8.1029 111.6870 61.5822 62.3414 176.5569 140 I 3.6510 7.4156 122.4486 64.5652 36.7089 178.3533 141 M 3.7837 7.6365 119.6504 57.9384 31.6528 178.6297 142 L 3.8474 7.7330 120.6457 58.2609 42.2791 178.7724 143 D 4.3431 7.9269 118.7017 57.4389 40.6306 178.4600 144 M 3.8653 8.1727 119.1197 58.6686 32.2303 178.1450 145 E 3.8807 8.2941 118.8957 59.3440 29.6118 179.5521 146 K 3.9344 8.0850 118.5669 59.1756 31.9814 179.2144 147 L 3.4596 7.8333 120.6998 57.8861 41.8366 179.0193 148 I 3.6273 7.6704 119.8594 64.5835 37.0651 178.5564 149 S 4.0886 7.9903 115.6685 61.3725 62.5690 176.6359 150 A 3.9503 7.8032 123.3404 55.5038 18.0931 179.2373 151 Y 4.4003 7.9469 115.4069 61.5461 37.8108 179.2707 152 R 3.9589 8.5047 119.3204 59.0278 29.9785 179.2002 153 R 3.9104 8.0977 118.5748 59.6882 30.1165 178.2938 154 M 4.2092 8.1950 118.5579 58.4840 31.9988 178.1510 155 L 3.9489 8.1993 120.6879 58.5347 42.0432 179.4000 156 R 4.0612 7.6666 114.5218 58.6816 29.5133 177.7207 157 Q 4.3531 7.7870 116.8259 55.4961 29.0385 176.3701 158 G 3.8278 7.7774 108.1507 46.0183 0.0000 173.1459 159 N 4.7970 8.0292 117.0214 51.9707 41.0427 173.7429 160 H 5.1307 9.0565 116.3275 54.1840 32.4953 173.3403 161 A 5.1646 8.6242 122.3779 50.5435 21.3155 176.0584 162 L 4.9571 9.0981 123.8258 53.5165 45.1992 175.4365 163 T 4.5012 9.0974 124.9084 62.8798 69.9742 174.1425 164 V 4.2937 8.0978 126.7829 60.8966 34.1554 174.2258 165 I 4.3910 8.0095 129.6573 59.6150 39.5422 176.1903 166 V 3.9251 8.1807 126.5437 62.2507 31.4846 173.0490 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 3 M 8.29 4.73 0.00 1.84 2.08 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 4 I 8.56 4.69 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 1.04 0.00 0.00 5 G 9.31 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 0.00 0.00 0.00 0.00 6 Y 8.12 5.12 0.00 3.05 2.90 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 7 F 9.47 5.10 0.00 2.95 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 8 A 9.15 5.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.81 5.03 0.00 2.04 1.90 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 2.27 2.27 0.00 10 I 8.99 4.76 1.89 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 1.31 1.55 0.93 0.00 0.00 11 D 8.59 5.03 0.00 2.98 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 12 S 8.84 4.34 0.00 3.98 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 13 E 8.25 3.97 0.00 2.06 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 2.40 2.44 0.00 14 K 8.65 4.00 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.35 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.57 7.81 15 I 7.90 3.69 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.09 1.07 0.00 0.00 16 N 8.18 4.48 0.00 2.87 2.92 0.00 0.00 7.01 7.05 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 17 Q 8.02 4.18 0.00 2.17 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 18 L 7.90 4.18 0.00 1.71 1.65 0.92 0.50 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 19 L 8.05 4.48 0.00 1.63 1.80 1.07 0.86 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 20 E 7.62 4.05 0.00 2.15 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 2.34 2.36 0.00 *30 I 7.48 4.16 1.80 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 1.35 1.55 0.63 0.00 0.00 31 H 7.89 4.37 0.00 3.27 3.37 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.97 4.43 0.00 2.66 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 33 T 7.87 4.07 4.35 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 1.22 0.00 0.00 34 L 7.93 4.07 0.00 1.76 1.89 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.93 4.08 0.00 4.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.70 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 0.00 0.00 0.00 37 L 7.62 4.34 0.00 1.75 1.77 0.97 0.93 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 38 R 8.33 4.32 0.00 1.90 1.81 0.00 3.19 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 39 R 8.26 5.16 0.00 2.00 1.81 0.00 3.09 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 0.00 40 L 9.02 4.59 0.00 1.84 1.79 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.85 5.33 0.00 2.70 2.58 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 42 I 8.41 4.62 2.03 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 1.14 0.00 0.00 43 D 8.24 4.29 0.00 2.93 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 0.00 0.00 0.00 44 K 8.94 4.99 0.00 1.80 1.88 0.00 1.86 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.91 1.60 7.81 45 R 8.21 4.12 0.00 2.05 2.14 0.00 3.30 0.00 0.00 3.34 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 46 W 7.79 4.35 0.00 3.54 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 6.63 4.31 0.00 1.58 2.43 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 48 F 7.66 4.69 0.00 3.32 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 49 L 8.17 4.00 0.00 1.90 2.07 0.88 1.06 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 50 H 8.61 4.15 0.00 3.44 3.67 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.69 4.93 0.00 3.36 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.86 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 53 L 7.71 4.48 0.00 1.60 1.70 0.89 0.85 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 54 T 7.96 4.31 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 1.11 0.00 0.00 55 G 8.81 3.46 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 0.00 0.00 0.00 0.00 56 T 7.87 4.96 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 57 S 8.54 4.71 0.00 4.07 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 58 A 9.14 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.82 4.74 0.00 3.20 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 60 D 7.80 4.88 0.00 2.74 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 61 P 0.00 4.69 0.00 2.32 2.13 0.00 3.54 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 62 A 8.31 4.21 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 63 K 8.55 3.97 0.00 1.78 1.79 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.40 7.81 64 N 8.64 3.96 0.00 2.79 2.80 0.00 0.00 6.90 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.42 4.80 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.30 2.30 0.00 3.75 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 2.07 2.07 0.00 67 L 8.09 4.05 0.00 1.90 1.72 1.00 0.50 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 68 S 7.85 3.93 0.00 3.92 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 69 R 8.16 4.32 0.00 2.06 2.02 0.00 3.15 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 70 A 7.70 3.99 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 71 V 6.98 4.09 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 1.11 0.00 0.00 0.95 0.00 0.00 72 L 8.38 4.09 0.00 1.70 1.63 0.77 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.97 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 0.00 0.00 0.00 0.00 74 E 8.46 4.07 0.00 2.02 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 2.29 2.42 0.00 75 H 8.66 4.85 0.00 3.01 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.84 4.50 0.00 3.91 3.79 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 77 L 9.07 4.29 0.00 1.55 1.63 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *84 F 7.68 4.46 0.00 2.58 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 85 L 8.37 4.89 0.00 1.60 1.38 0.85 0.99 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 86 G 9.14 4.90 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 0.00 87 L 9.09 5.16 0.00 1.43 1.37 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.54 4.96 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 89 W 9.53 4.56 0.00 3.49 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 90 N 9.87 4.35 0.00 2.88 2.99 0.00 0.00 6.78 6.73 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 91 Q 8.26 4.11 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 92 E 8.66 4.28 0.00 2.17 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 2.52 0.00 93 L 7.74 3.80 0.00 1.83 1.63 0.97 0.15 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 94 A 8.03 3.98 1.32 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 0.00 0.00 0.00 95 A 7.89 3.94 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 96 T 7.68 3.76 4.14 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 1.04 0.00 0.00 97 I 8.22 3.75 2.03 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 1.54 0.89 0.99 0.00 0.00 98 D 8.21 4.34 0.00 2.89 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 99 R 7.98 3.93 0.00 1.99 1.98 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 100 L 7.92 4.14 0.00 1.87 1.70 1.01 0.97 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 0.00 101 E 8.34 4.02 0.00 1.91 2.02 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 2.35 2.55 0.00 102 S 8.06 4.30 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 0.00 103 L 7.02 3.96 0.00 1.70 1.63 0.91 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.53 4.61 0.00 2.71 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 0.00 105 R 8.62 4.08 0.00 1.91 2.07 0.00 3.36 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 106 N 8.25 4.37 0.00 2.91 2.84 0.00 0.00 6.80 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 0.00 107 E 8.58 3.96 0.00 2.05 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 0.00 2.30 2.34 0.00 108 L 7.78 4.05 0.00 2.12 2.04 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.62 2.53 0.00 1.17 1.78 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 110 K 7.61 3.79 0.00 1.74 1.94 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 111 Q 7.82 4.14 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 112 F 7.51 4.32 0.00 3.16 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.94 4.67 0.00 3.81 3.61 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 0.00 114 I 8.85 3.53 1.83 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 1.67 0.83 0.96 0.00 0.00 115 K 7.92 3.91 0.00 1.96 2.05 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 116 R 7.90 3.92 0.00 2.00 2.27 0.00 3.17 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 117 L 7.77 3.06 0.00 1.34 1.61 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.15 4.39 0.00 2.82 2.82 0.00 0.00 7.13 7.82 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 0.00 119 E 8.06 4.12 0.00 2.30 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 2.33 2.39 0.00 120 M 8.32 4.13 0.00 2.02 2.03 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 2.95 2.94 0.00 121 E 7.63 3.75 0.00 2.14 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 2.23 2.52 0.00 122 I 7.21 4.03 1.88 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 1.01 0.10 1.09 0.00 0.00 123 Y 9.15 4.24 0.00 3.07 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 0.00 0.00 0.00 124 P 0.00 2.97 0.00 1.73 1.26 0.00 3.46 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 125 G 8.40 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 0.00 126 V 7.14 3.74 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 0.60 0.00 0.00 0.63 0.00 0.00 127 T 8.06 4.16 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 1.13 0.00 0.00 128 F 8.66 5.01 0.00 2.98 2.84 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 0.00 129 S 8.50 4.56 0.00 3.93 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 0.00 130 E 8.77 4.00 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 131 E 8.26 3.96 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 132 L 7.97 4.57 0.00 1.89 1.54 0.94 0.67 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 0.00 133 E 8.11 4.16 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 134 G 8.07 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 0.00 135 Q 7.99 3.96 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 136 L 8.06 3.66 0.00 1.43 1.78 0.13 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.19 3.20 0.00 2.68 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 0.00 138 A 8.15 3.77 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 0.00 139 S 8.10 3.95 0.00 3.86 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 0.00 140 I 7.42 3.65 1.52 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 1.55 0.54 0.76 0.00 0.00 141 M 7.64 3.78 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.43 0.00 142 L 7.73 3.85 0.00 1.69 1.79 0.88 1.28 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 0.00 143 D 7.93 4.34 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 M 8.17 3.87 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 145 E 8.29 3.88 0.00 2.10 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 2.46 2.44 0.00 146 K 8.09 3.93 0.00 1.90 1.81 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.56 7.81 147 L 7.83 3.46 0.00 1.31 1.43 -0.60 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.67 3.63 1.94 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 1.51 0.64 0.91 0.00 0.00 149 S 7.99 4.09 0.00 3.98 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 0.00 150 A 7.80 3.95 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 0.00 151 Y 7.95 4.40 0.00 3.11 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 0.00 152 R 8.50 3.96 0.00 2.00 2.00 0.00 3.33 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 153 R 8.10 3.91 0.00 2.00 2.14 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 154 M 8.19 4.21 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.63 0.00 155 L 8.20 3.95 0.00 1.84 1.87 0.96 1.23 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 0.00 156 R 7.67 4.06 0.00 1.97 2.07 0.00 3.12 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.73 0.00 157 Q 7.79 4.35 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.29 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 158 G 7.78 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.03 4.80 0.00 2.70 2.77 0.00 0.00 6.69 8.15 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 0.00 160 H 9.06 5.13 0.00 3.09 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.62 5.16 1.32 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 0.00 0.00 0.00 162 L 9.10 4.96 0.00 1.66 1.50 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 163 T 9.10 4.50 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 1.00 0.00 0.00 164 V 8.10 4.29 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 0.00 0.00 0.63 0.00 0.00 0.61 0.00 0.00 165 I 8.01 4.39 1.51 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.15 -0.54 0.00 0.00 166 V 8.18 3.93 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 0.55 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.