NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0635 8.1633 120.7270 55.1908 33.8975 173.8614 2 R 5.0090 9.0810 120.8440 52.2500 33.9142 169.7910 3 V 5.0232 8.6168 121.6110 60.1404 35.9451 173.7509 4 V 4.8754 8.8842 123.4271 61.4780 33.7851 174.0702 5 I 4.9078 9.0523 129.7485 59.8935 39.3158 174.6267 6 Q 5.1256 9.0148 126.5357 53.9737 31.5990 174.8654 7 R 4.4742 8.6287 124.7078 56.1559 31.4544 175.6017 8 V 5.0565 8.9420 118.6980 59.7780 35.8375 176.4584 9 K 4.1587 8.9305 121.9918 57.2481 32.7227 177.1633 10 G 4.6599 7.5601 107.8663 45.8188 0.0000 171.6404 11 A 5.1967 8.3756 121.3395 50.5229 23.3605 175.4728 12 I 4.7517 9.2212 122.7098 59.4480 40.5665 174.1889 13 L 5.1805 9.0251 130.6156 53.3668 43.9676 175.3456 14 S 5.2892 9.4452 120.4573 56.6712 66.8315 173.2596 15 V 4.8785 8.5284 115.7576 59.7836 35.6438 176.1155 16 R 4.2027 7.9646 120.3549 57.2090 30.0839 177.2516 *26 E 3.9824 8.6321 122.5580 55.5502 29.7412 174.8347 27 L 4.9671 8.2860 126.2449 53.5824 43.6763 176.1075 28 E 4.7799 8.7288 119.5328 54.2906 32.8083 175.1386 29 I 4.4920 8.5458 124.2969 61.6428 37.1419 175.6438 30 I 4.5556 8.7974 119.6556 60.9133 39.7203 175.8261 31 S 4.7832 7.8236 117.5304 57.2494 67.5478 172.5853 32 E 5.2708 8.4407 122.1014 55.2342 32.4300 174.0748 33 I 4.7428 8.8227 119.4871 58.2023 41.6482 175.7229 34 K 4.8906 8.8119 126.8138 55.8638 30.6816 178.4910 35 N 4.7178 8.6156 125.4697 53.3193 39.4764 174.9548 36 G 4.8315 7.0316 107.6151 46.2780 0.0000 170.8719 37 L 5.2895 8.0219 121.3222 52.9454 45.7161 175.3360 38 I 4.6254 8.3651 123.1772 59.5849 40.2560 174.0061 39 C 5.1256 8.8829 126.8103 57.9283 31.3053 173.2738 40 F 4.8332 9.1063 124.6165 56.8124 39.8668 174.7000 41 L 5.1356 9.5961 127.7330 53.3571 44.0859 175.0636 42 G 4.5546 9.7291 114.9613 44.7242 0.0000 171.8332 43 I 5.1964 8.6989 125.9723 59.9237 39.4941 175.0216 44 H 3.8688 9.6127 127.8336 54.8251 30.5116 176.2626 45 K 3.9135 7.7772 124.1511 59.3715 32.4347 177.4762 46 N 4.9052 8.2041 115.2069 52.8878 38.9405 174.4131 47 D 4.6934 7.8125 118.8420 54.3756 41.7347 176.0702 48 T 4.7440 9.0823 113.1665 59.1431 71.6114 175.0670 49 W 4.6541 8.9643 130.2364 60.7246 30.4457 177.5287 50 E 3.9328 8.1627 118.7936 59.3141 28.9555 178.9726 51 D 4.3421 8.1620 118.3368 57.1704 40.8268 178.5168 52 A 3.8086 7.9380 120.7102 55.1721 18.2929 179.3772 53 L 3.4364 7.2091 117.3150 57.8567 41.5510 179.1629 54 Y 3.8894 7.8261 119.2482 60.7185 38.6992 178.1050 55 I 3.6721 7.6070 120.2635 64.5387 37.2808 178.4085 56 I 3.1044 7.5790 120.6250 64.1575 36.9346 178.4552 57 R 3.7570 8.0196 119.7812 59.2748 29.7910 178.6945 58 K 3.7844 8.0205 118.5410 59.6328 31.8176 178.9913 59 C 4.1351 8.1525 116.0023 63.0427 28.7718 175.9777 60 L 4.2517 8.2481 119.6881 56.3292 41.1394 177.9968 61 N 4.7766 7.6091 113.4238 52.6847 40.4361 174.6303 62 L 3.9926 8.0085 119.0840 55.0975 41.8456 178.1737 63 R 4.4980 8.5717 124.1622 55.9329 28.2360 176.4482 64 L 4.9381 8.3850 118.3625 54.0828 42.9331 175.8381 65 W 4.7489 8.3866 119.7542 54.6551 32.7807 174.5317 66 N 4.8210 8.6634 120.5754 52.8001 39.7450 173.7753 67 N 4.9933 8.2175 122.6361 51.4110 39.9360 173.6552 68 D 4.3854 8.3655 125.6324 55.8924 41.4369 177.0382 69 N 4.6563 8.9425 118.1675 53.0291 36.6685 174.6410 70 K 4.7424 7.5172 117.3403 54.4532 34.9980 175.1417 71 T 5.2571 7.7855 109.7852 59.7119 71.8620 173.5464 72 W 4.3449 7.7424 120.2003 57.6374 26.6920 173.8385 73 D 4.8670 8.1869 117.2438 55.1802 43.1011 176.9293 74 K 4.8274 8.6350 117.5690 54.7278 35.0652 175.9327 75 N 5.6907 8.6565 121.2208 51.5418 40.2034 175.6512 76 V 3.1302 7.9237 117.3015 64.8715 31.4518 178.5079 77 K 3.6619 7.7085 120.1331 58.6267 31.7799 178.7646 78 D 4.3144 8.3633 118.4532 56.7182 40.7683 177.9056 79 L 3.9450 6.6664 116.1013 53.1564 41.9139 176.0107 80 N 4.2525 7.6421 115.2317 54.5628 36.5148 173.9722 81 Y 4.9238 7.8521 115.2029 57.6488 39.8304 174.8374 82 E 4.9826 8.8396 119.6427 54.9518 33.0099 175.3067 83 L 5.2264 8.9153 120.5136 52.9229 45.8618 175.5744 84 L 4.8831 8.8629 125.4639 53.4782 44.3223 174.9128 85 I 4.7367 8.5119 128.3518 59.7386 39.2817 174.9025 86 V 4.5864 8.4640 127.9906 60.6110 33.8075 175.0093 87 S 4.7654 8.6694 123.0942 58.9919 64.1120 174.6063 88 Q 4.5067 9.6318 124.4216 54.7121 29.9770 174.7539 89 F 4.5245 8.6958 120.7631 59.1502 38.6867 178.3118 90 T 3.8362 6.5464 110.1508 63.7464 68.4245 175.9570 91 L 4.0405 7.5643 121.2138 56.9104 41.6074 177.4933 92 F 4.8792 8.4871 116.8548 57.0234 39.9688 176.0522 93 G 3.6085 8.6682 107.7947 46.2753 0.0000 173.4783 94 N 4.7076 8.9579 127.4669 52.9226 39.9872 175.4035 95 T 4.5114 8.2729 114.2003 61.1624 69.6960 174.9835 96 K 4.0410 8.6035 126.1870 59.8399 32.5740 178.0406 97 K 4.5816 8.4473 118.4900 52.3914 32.3593 178.1195 98 G 4.3205 7.3321 106.8903 44.0892 0.0000 172.3442 99 N 4.6304 8.2616 115.4949 52.6062 38.9500 175.0087 100 K 4.3984 7.5971 120.1700 53.5724 33.0469 173.8429 101 P 4.3438 0.0000 0.0000 62.8020 32.0372 175.6318 102 D 4.5319 8.1252 119.9617 51.5380 42.1138 176.1967 103 F 5.5534 8.3010 119.7386 57.2640 39.1611 176.3556 104 H 4.2099 8.0602 116.4352 57.3957 29.8289 177.4171 105 L 3.9760 7.9953 119.0199 56.6402 41.9896 176.7200 106 A 4.4367 7.2896 120.4743 51.4346 18.8234 177.6723 107 K 3.9757 8.2425 123.4194 56.0786 33.1933 176.3410 108 E 3.9332 8.9001 127.0604 56.4918 30.3825 175.5219 109 P 4.4102 0.0000 0.0000 66.3050 31.2598 178.7700 110 N 4.3690 9.8917 115.9740 56.3763 38.4147 177.4610 111 E 3.9296 8.7869 119.9009 58.9600 29.5130 179.0897 112 A 4.1433 8.1770 121.0152 55.1040 18.4393 179.2094 113 L 2.8795 7.9680 118.9040 58.1065 42.0520 179.1598 114 I 3.6654 7.2219 119.0563 64.3951 37.1174 177.9051 115 F 4.2657 8.2622 121.2906 61.7608 39.2264 176.3712 116 Y 4.1941 8.9310 119.2362 61.0912 38.5970 178.0173 117 N 4.3465 8.6271 117.4878 56.1379 38.5785 177.5532 118 K 3.9486 8.0792 120.0408 59.4012 32.0055 179.4080 119 I 3.6439 7.6342 120.0469 64.5146 37.1664 178.5666 120 I 3.8351 7.5957 120.5835 64.4223 36.7924 178.2928 121 D 4.3867 8.1054 119.8076 57.3857 40.6008 178.4476 122 E 4.0287 8.3734 119.8546 59.1039 29.5928 178.5721 123 F 4.1801 8.4434 118.3214 60.7894 38.8248 177.9315 124 K 4.0490 7.8914 115.9970 59.4134 31.9743 179.0592 125 K 4.0827 8.3498 119.1279 59.2125 32.1917 177.9144 126 Q 4.4632 8.2372 115.7653 55.1277 29.2354 175.1908 127 Y 4.9435 8.2880 117.6095 57.3863 39.5623 175.1808 128 N 4.7200 8.8515 111.9906 52.3800 42.8020 173.7983 129 D 4.3293 8.9020 125.8579 57.2984 40.9767 177.0214 130 D 4.5550 8.0220 115.6975 54.3567 41.6468 176.5650 131 K 4.1898 7.8703 117.1781 56.9290 32.7079 175.3776 132 I 4.7546 7.4372 120.1468 59.5719 38.7612 175.0802 133 K 4.8102 8.9298 127.1843 54.5999 35.3249 175.2884 134 I 5.3062 7.5540 114.3731 58.6211 41.2557 174.2584 135 G 4.1098 8.4811 109.1044 45.2061 0.0000 173.5331 136 K 4.4853 8.4872 122.9043 54.0511 32.0093 175.9480 137 F 3.9669 8.7366 127.9573 59.7487 39.5050 175.6267 138 G 3.7599 8.0418 114.6850 45.6896 0.0000 172.6174 139 N 5.0275 7.6926 116.3150 50.8703 40.6485 174.0349 140 Y 4.2087 8.3908 121.7988 58.4993 39.9885 174.8087 141 M 5.0029 7.1734 123.7140 53.4964 36.7125 173.7997 142 N 4.7942 9.2515 120.9353 51.8970 41.5801 173.2794 143 I 4.9316 8.2892 126.6892 59.5293 39.9933 174.9533 144 D 4.6286 8.9548 128.9329 53.7876 41.6948 175.9221 145 V 4.6836 8.4051 123.5782 61.3939 34.4423 175.3076 146 T 4.4322 8.7160 125.1237 61.9884 69.0163 173.2792 147 N 4.8452 8.6330 124.2816 53.3288 39.3531 174.9610 148 D 4.2905 10.5204 125.3350 53.1450 40.5908 174.5502 149 G 4.0004 8.5187 117.5846 44.8438 0.0000 169.6796 150 P 4.3500 0.0000 0.0000 61.1837 32.8689 176.2929 151 V 4.3918 8.1360 118.9926 61.7362 34.1077 174.0718 152 T 5.2021 8.6471 124.7742 61.8305 70.8436 173.8111 153 I 4.6099 8.9630 127.5147 59.5282 40.3326 173.9072 154 Y 5.2927 8.6846 126.9425 55.9170 41.4721 174.7078 155 I 4.3866 7.7036 125.7652 59.4756 41.7104 173.5726 156 D 5.1444 8.3467 126.6749 52.3826 42.4421 176.5116 157 T 3.8685 9.0696 117.5122 63.5405 68.8012 175.6516 158 H 4.2152 8.4505 119.1732 57.6701 29.1288 176.2726 159 D 4.4630 8.2101 119.4617 56.2726 40.9184 176.7041 160 I 4.2013 6.7910 121.0839 60.1146 38.7656 176.1321 161 N 4.5037 8.3863 117.9159 52.7211 37.4891 176.1487 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 M 8.16 5.06 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.08 5.01 0.00 1.42 1.68 0.00 2.21 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 3 V 8.62 5.02 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 0.68 0.00 0.00 1.07 0.00 0.00 4 V 8.88 4.88 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 1.10 0.00 0.00 1.11 0.00 0.00 5 I 9.05 4.91 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.93 0.00 0.00 6 Q 9.01 5.13 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 7 R 8.63 4.47 0.00 1.70 1.80 0.00 2.21 0.00 0.00 2.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.00 8 V 8.94 5.06 2.33 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 0.82 0.00 0.00 0.97 0.00 0.00 9 K 8.93 4.16 0.00 1.65 1.84 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.40 7.81 10 G 7.56 4.66 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 11 A 8.38 5.20 1.17 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 12 I 9.22 4.75 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 1.11 0.85 0.91 0.00 0.00 13 L 9.03 5.18 0.00 1.66 1.61 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.45 5.29 0.00 3.87 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 15 V 8.53 4.88 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 0.74 0.00 0.00 0.97 0.00 0.00 16 R 7.96 4.20 0.00 1.64 1.72 0.00 3.30 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 *26 E 8.63 3.98 0.00 1.95 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 2.20 2.29 0.00 27 L 8.29 4.97 0.00 1.60 1.62 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.73 4.78 0.00 2.02 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 2.19 2.27 0.00 29 I 8.55 4.49 1.88 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 1.41 0.55 0.91 0.00 0.00 30 I 8.80 4.56 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.97 0.00 0.00 31 S 7.82 4.78 0.00 3.74 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 5.27 0.00 1.92 1.75 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 2.18 2.43 0.00 33 I 8.82 4.74 1.84 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 1.19 1.00 0.87 0.00 0.00 34 K 8.81 4.89 0.00 1.73 1.20 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.51 7.81 35 N 8.62 4.72 0.00 1.44 1.72 0.00 0.00 6.64 7.59 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 36 G 7.03 4.83 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 37 L 8.02 5.29 0.00 1.64 1.57 1.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.37 4.63 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 1.47 0.88 0.00 0.00 39 C 8.88 5.13 0.00 2.76 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 40 F 9.11 4.83 0.00 2.99 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 41 L 9.60 5.14 0.00 1.87 1.82 1.21 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.73 4.55 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 0.00 0.00 0.00 43 I 8.70 5.20 2.12 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.37 1.13 0.00 0.00 44 H 9.61 3.87 0.00 2.96 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.78 3.91 0.00 1.83 1.85 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.36 7.81 46 N 8.20 4.91 0.00 2.75 2.85 0.00 0.00 6.95 8.06 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 47 D 7.81 4.69 0.00 2.72 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 48 T 9.08 4.74 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 1.25 0.00 0.00 49 W 8.96 4.65 0.00 3.54 3.24 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 50 E 8.16 3.93 0.00 2.12 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 2.37 2.43 0.00 51 D 8.16 4.34 0.00 3.01 2.82 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 52 A 7.94 3.81 0.59 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 0.00 0.00 53 L 7.21 3.44 0.00 1.60 1.52 0.86 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.83 3.89 0.00 3.11 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 55 I 7.61 3.67 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.84 0.99 0.00 0.00 56 I 7.58 3.10 1.51 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.40 0.27 0.00 0.00 57 R 8.02 3.76 0.00 1.68 1.88 0.00 3.00 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 58 K 8.02 3.78 0.00 1.75 1.70 0.00 1.56 0.00 0.00 1.39 0.00 0.00 2.46 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.70 1.07 7.81 59 C 8.15 4.14 0.00 3.41 3.21 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 0.00 60 L 8.25 4.25 0.00 1.68 1.62 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.61 4.78 0.00 2.81 2.78 0.00 0.00 7.00 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.01 3.99 0.00 1.70 1.67 0.90 1.15 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 63 R 8.57 4.50 0.00 2.12 1.91 0.00 3.14 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 64 L 8.39 4.94 0.00 0.75 1.33 0.82 1.02 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 65 W 8.39 4.75 0.00 3.48 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 66 N 8.66 4.82 0.00 2.59 2.87 0.00 0.00 6.48 6.92 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 67 N 8.22 4.99 0.00 2.95 2.95 0.00 0.00 6.90 8.37 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 68 D 8.37 4.39 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 69 N 8.94 4.66 0.00 2.89 3.07 0.00 0.00 6.79 7.61 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 70 K 7.52 4.74 0.00 2.02 1.76 0.00 1.49 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.39 7.81 71 T 7.79 5.26 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 1.12 0.00 0.00 72 W 7.74 4.34 0.00 3.49 3.36 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 73 D 8.19 4.87 0.00 2.67 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 74 K 8.64 4.83 0.00 1.77 1.62 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.46 7.81 75 N 8.66 5.69 0.00 2.95 3.13 0.00 0.00 6.81 7.74 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 76 V 7.92 3.13 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.13 0.00 0.00 77 K 7.71 3.66 0.00 1.74 1.65 0.00 1.75 0.00 0.00 1.48 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.62 7.81 78 D 8.36 4.31 0.00 2.47 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 79 L 6.67 3.95 0.00 0.27 0.13 -0.08 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.64 4.25 0.00 2.83 2.91 0.00 0.00 6.92 6.79 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 81 Y 7.85 4.92 0.00 2.72 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 82 E 8.84 4.98 0.00 1.92 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 2.21 2.28 0.00 83 L 8.92 5.23 0.00 1.40 1.30 1.11 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.86 4.88 0.00 1.64 1.40 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.51 4.74 1.85 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.29 1.03 0.00 0.00 86 V 8.46 4.59 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.76 0.00 0.00 87 S 8.67 4.77 0.00 3.85 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 88 Q 9.63 4.51 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 89 F 8.70 4.52 0.00 3.33 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 90 T 6.55 3.84 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 0.11 0.00 0.00 91 L 7.56 4.04 0.00 1.66 1.51 1.05 0.61 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 92 F 8.49 4.88 0.00 3.22 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 93 G 8.67 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 0.00 0.00 0.00 94 N 8.96 4.71 0.00 2.82 2.91 0.00 0.00 6.40 6.83 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 95 T 8.27 4.51 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 1.15 0.00 0.00 96 K 8.60 4.04 0.00 1.96 1.91 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.38 7.81 97 K 8.45 4.58 0.00 1.71 1.57 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 0.97 7.81 98 G 7.33 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 0.00 0.00 0.00 0.00 99 N 8.26 4.63 0.00 2.70 2.84 0.00 0.00 6.61 7.61 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 0.00 100 K 7.60 4.40 0.00 1.68 1.69 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.44 7.81 101 P 0.00 4.34 0.00 1.83 1.75 0.00 3.70 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 2.15 2.08 0.00 102 D 8.13 4.53 0.00 2.81 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 0.00 103 F 8.30 5.55 0.00 3.18 3.32 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 0.00 104 H 8.06 4.21 0.00 3.14 3.38 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.00 3.98 0.00 1.86 1.40 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.29 4.44 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 0.00 107 K 8.24 3.98 0.00 1.91 1.77 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.53 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.32 7.81 108 E 8.90 3.93 0.00 2.04 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 2.37 2.31 0.00 109 P 0.00 4.41 0.00 2.23 2.17 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 110 N 9.89 4.37 0.00 2.77 2.88 0.00 0.00 7.14 7.54 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 0.00 111 E 8.79 3.93 0.00 2.03 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 2.55 0.00 112 A 8.18 4.14 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 0.00 113 L 7.97 2.88 0.00 1.13 1.48 0.34 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.22 3.67 2.06 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 1.41 0.74 0.95 0.00 0.00 115 F 8.26 4.27 0.00 3.32 3.40 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 0.00 116 Y 8.93 4.19 0.00 3.34 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 0.00 117 N 8.63 4.35 0.00 2.91 2.85 0.00 0.00 7.07 7.69 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 0.00 118 K 8.08 3.95 0.00 1.99 1.68 0.00 1.32 0.00 0.00 1.45 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.57 7.81 119 I 7.63 3.64 1.87 0.00 0.00 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 1.15 0.63 0.85 0.00 0.00 120 I 7.60 3.84 1.90 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.08 0.89 0.00 0.00 121 D 8.11 4.39 0.00 2.90 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 0.00 122 E 8.37 4.03 0.00 2.37 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 2.26 2.29 0.00 123 F 8.44 4.18 0.00 3.37 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 0.00 124 K 7.89 4.05 0.00 1.98 1.89 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 125 K 8.35 4.08 0.00 1.75 2.03 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 126 Q 8.24 4.46 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 127 Y 8.29 4.94 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.85 4.72 0.00 2.42 1.77 0.00 0.00 6.87 8.49 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 0.00 129 D 8.90 4.33 0.00 2.64 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 0.00 130 D 8.02 4.56 0.00 2.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.19 0.00 1.18 1.53 0.00 1.80 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.93 0.62 7.81 132 I 7.44 4.75 1.83 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 1.48 0.92 0.77 0.00 0.00 133 K 8.93 4.81 0.00 1.60 1.66 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.60 7.81 134 I 7.55 5.31 2.10 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 1.28 1.63 0.94 0.00 0.00 135 G 8.48 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 0.00 0.00 0.00 136 K 8.49 4.49 0.00 1.82 1.74 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 137 F 8.74 3.97 0.00 2.94 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 0.00 138 G 8.04 3.76 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 0.00 0.00 0.00 139 N 7.69 5.03 0.00 2.92 2.78 0.00 0.00 6.85 7.02 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 0.00 140 Y 8.39 4.21 0.00 3.14 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 0.00 141 M 7.17 5.00 0.00 1.74 1.68 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 142 N 9.25 4.79 0.00 2.87 2.68 0.00 0.00 7.02 7.86 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 0.00 143 I 8.29 4.93 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.92 0.00 0.00 144 D 8.95 4.63 0.00 2.62 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 0.00 145 V 8.41 4.68 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 0.91 0.00 0.00 1.00 0.00 0.00 146 T 8.72 4.43 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 1.22 0.00 0.00 147 N 8.63 4.85 0.00 2.62 2.78 0.00 0.00 6.94 8.06 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 0.00 148 D 10.52 4.29 0.00 2.64 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 0.00 149 G 8.52 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 0.00 150 P 0.00 4.35 0.00 2.07 2.00 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 151 V 8.14 4.39 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 1.13 0.00 0.00 0.92 0.00 0.00 152 T 8.65 5.20 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 1.26 0.00 0.00 153 I 8.96 4.61 1.89 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 1.11 0.91 0.91 0.00 0.00 154 Y 8.68 5.29 0.00 2.91 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 0.00 155 I 7.70 4.39 1.77 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 1.11 0.49 0.99 0.00 0.00 156 D 8.35 5.14 0.00 2.66 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 0.00 157 T 9.07 3.87 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 1.30 0.00 0.00 158 H 8.45 4.22 0.00 3.33 3.40 0.00 5.85 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.21 4.46 0.00 2.72 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 0.00 160 I 6.79 4.20 1.41 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.25 0.65 0.00 0.00 161 N 8.39 4.50 0.00 2.74 2.58 0.00 0.00 6.55 7.56 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 * Residues marked with a * may have inaccurate shift predictions.