NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8480 8.3049 118.3807 55.3543 32.9784 174.1506 2 I 4.5047 7.9177 120.0464 59.2070 40.6130 173.4286 3 I 4.6243 8.2496 125.5840 59.8311 40.6953 173.9121 4 S 4.0521 8.0572 124.1007 57.6343 66.7492 172.2282 5 S 4.9557 8.1658 110.7684 57.1210 65.1388 176.6761 6 L 3.3762 8.9474 127.4550 57.3847 41.5290 178.3183 7 T 4.2949 7.3742 113.6564 64.0323 69.4304 174.5695 8 N 4.7858 7.7553 120.9823 50.8931 38.3068 174.5200 9 P 4.3955 0.0000 0.0000 65.2130 31.5260 176.5058 10 N 4.8164 8.4610 116.0428 52.7302 38.7834 176.4947 11 F 4.3749 8.0231 115.6042 59.9156 37.9897 176.4735 12 K 4.0295 7.2344 118.2169 56.5077 32.1701 176.4518 13 V 3.6450 7.7892 121.1331 64.0489 31.3543 176.4133 14 G 4.0037 8.9290 115.3409 45.4660 0.0000 173.2160 15 L 4.2222 7.5240 120.5598 53.6305 42.2816 175.8593 16 P 4.3458 0.0000 0.0000 62.6459 32.9697 177.1561 17 K 3.8864 8.7877 122.5329 60.5263 32.3751 179.5912 18 V 3.6274 7.9048 120.4031 64.3734 30.9121 178.1750 19 I 3.7328 7.6734 119.5733 63.9703 37.0596 177.7651 20 A 4.1287 8.3357 121.9597 55.3502 18.1349 179.6618 21 E 3.9267 8.6137 117.3829 59.5070 29.6212 179.5059 22 V 3.6055 7.7649 118.3025 66.3976 31.6550 177.9415 23 C 4.0033 8.4333 116.7069 62.7052 27.6951 175.7445 24 D 4.4990 8.2763 119.9028 57.4390 40.8314 177.7695 25 Y 4.2430 8.1173 119.9441 60.9903 38.8318 178.4662 26 L 3.8829 8.0015 119.4272 57.6721 41.3928 179.2219 27 N 4.3949 7.6841 115.3748 56.0480 38.5954 177.1629 28 T 3.9633 7.5989 115.7689 64.3599 68.6109 173.9757 29 L 4.4183 6.7891 120.0861 52.8174 44.3607 175.8907 30 D 4.6257 8.0403 119.5694 52.7643 40.5375 176.6862 31 L 4.0121 8.1811 127.8481 57.3857 42.0321 179.3652 32 N 4.3086 8.1522 115.5712 55.7181 39.0360 174.9084 33 A 4.5163 7.5117 119.0064 51.7704 19.2265 176.9030 34 L 4.1866 7.4944 118.0229 54.3249 42.2207 177.0486 35 E 4.0379 8.8332 123.1980 56.3329 29.8387 176.5894 36 N 4.2025 8.6902 121.4371 54.5200 39.6185 174.5332 37 G 3.7760 9.4815 107.3687 44.1618 0.0000 172.2619 38 R 4.6615 8.1630 119.1518 56.4675 30.5159 175.1820 39 H 4.9671 9.0751 124.4802 54.2855 30.8064 174.7033 40 D 5.0249 8.7682 122.9090 54.3805 41.4617 176.2173 41 I 4.2248 8.7076 118.7511 62.2108 39.8258 174.8739 42 N 4.9981 7.6078 116.1298 51.4969 42.2183 173.8661 43 D 4.1596 8.7285 118.1784 56.4445 41.2389 176.3933 44 Q 4.7271 7.6480 114.3561 55.0217 31.0037 175.0497 45 I 4.9799 7.9245 118.9509 58.6648 40.5683 174.1059 46 Y 5.4481 7.8427 122.8630 55.8934 42.0957 173.2164 47 M 5.2155 9.7745 116.6900 53.6637 35.4676 173.7176 48 N 5.3238 8.9521 117.7563 51.7313 41.1201 173.8681 49 V 4.8727 8.3478 123.5463 61.6828 34.1479 174.4239 50 M 4.9860 8.6982 125.2644 54.1168 37.0365 174.1203 51 E 5.1058 8.5626 118.0710 53.1118 31.0214 174.4751 52 P 4.7181 0.0000 0.0000 62.2042 31.0111 177.1943 *61 K 4.0896 8.4427 115.8324 56.5037 33.5725 175.5157 62 A 4.6848 8.7161 125.2209 51.1440 20.8871 175.8130 63 E 5.6545 8.9806 117.3935 53.6679 33.8310 174.2935 64 L 4.7003 8.0578 117.8033 55.0357 43.7797 173.8253 65 H 5.3269 8.6372 116.3285 54.8783 32.5951 173.8222 66 H 3.9669 9.6465 116.5503 57.0227 30.3233 176.0294 67 E 4.4033 8.7011 117.3023 56.9564 30.5115 175.1080 68 Y 5.2554 8.0097 114.8950 55.8753 41.0543 175.6223 69 L 4.8323 9.5736 123.8560 54.9800 43.2618 174.8731 70 D 5.5090 8.9869 120.6481 52.6308 43.7283 175.9035 71 V 4.6434 8.6641 122.8844 60.0905 33.5863 174.4862 72 Q 4.8510 9.1425 126.1354 54.9366 30.5200 175.3581 73 V 5.2411 8.6831 123.2716 59.8053 34.9321 174.0112 74 L 4.4347 8.5997 130.1145 55.2650 42.7173 176.7126 75 I 4.0653 8.8112 127.4372 62.7808 38.6968 176.4312 76 R 4.4136 7.8621 121.0913 56.0818 33.5313 174.6106 77 G 4.0627 9.1734 111.1686 44.1109 0.0000 172.0161 78 T 4.9608 8.0031 114.2860 61.7812 71.6906 173.6208 79 E 4.7295 9.0246 125.0454 54.6497 33.7479 173.6216 80 N 5.2328 8.7746 123.1003 51.8539 41.5255 174.0403 81 I 4.9914 8.5422 122.5418 59.7055 41.4596 174.1699 82 E 4.7818 8.8152 126.9238 55.6642 31.1328 176.0135 83 V 4.7448 8.5729 116.6544 59.4538 36.8187 174.5919 84 G 4.3554 8.4037 108.1250 44.7133 0.0000 173.1516 85 A 4.4756 9.2801 128.7215 54.4626 19.1533 177.6968 86 T 4.4566 7.7384 105.0610 60.6268 70.1979 174.0027 87 Y 4.1555 8.4680 124.8370 56.9630 39.4914 173.8633 88 P 4.4058 0.0000 0.0000 61.8540 32.6962 175.5987 89 N 4.4733 8.6302 118.9160 53.6777 38.0762 175.5766 90 L 4.0354 8.5545 127.1716 56.7772 41.9948 178.8411 91 S 4.6736 8.0541 111.4958 58.5262 63.5413 174.8002 92 K 4.3563 8.0583 119.6862 57.2416 31.8492 175.9304 93 Y 4.5722 7.3514 115.7486 55.9251 40.1721 175.6323 94 E 4.3102 8.9412 121.5797 56.1282 30.5248 176.7701 95 D 4.5269 8.7392 121.1069 54.9316 41.3050 176.1774 96 Y 4.1609 8.7333 123.8562 57.5442 39.3065 174.1788 97 N 4.4095 7.8586 126.9805 52.2387 38.8527 175.3982 98 E 3.2683 8.2459 126.2524 59.0685 30.0541 178.5568 99 A 4.0476 7.9419 120.4986 55.0780 18.4820 177.7851 100 D 4.6802 8.9097 112.6831 53.2153 41.5259 176.5530 101 D 4.1898 7.5611 116.5320 53.2710 39.7928 171.2771 102 Y 5.2729 6.1939 118.0547 56.2068 42.3226 174.9293 103 Q 5.1514 9.3944 118.0775 54.2639 33.4306 174.4619 104 L 5.3803 8.7272 120.5173 53.3700 45.3323 175.0205 105 C 4.5719 8.7090 121.2320 57.3964 34.6980 174.6651 106 A 3.8301 8.7175 128.3422 54.7373 18.0947 176.4887 107 D 4.8526 7.5308 111.3173 52.5084 44.7527 173.8235 108 I 4.5499 7.9841 120.2413 59.3249 39.5987 175.5352 109 D 4.5696 8.7026 125.1620 55.1189 41.5037 175.5661 110 D 4.5088 8.6884 120.4035 55.2584 38.3587 174.3123 111 K 4.6770 8.0788 116.8630 57.0973 34.1663 175.2822 112 F 5.0518 8.2972 115.4490 56.2798 42.1386 172.7381 113 T 5.0215 8.6896 114.8109 61.8811 71.1269 174.2063 114 V 4.3158 8.9199 120.5127 60.3200 33.5743 175.2998 115 T 4.8646 8.5869 122.9969 63.0363 69.2747 174.0736 116 M 4.4962 9.7890 128.4603 54.0934 33.8360 175.9883 117 K 4.9175 8.3984 121.8788 53.4667 36.1224 173.9197 118 P 4.5449 0.0000 0.0000 64.3930 31.7463 177.5016 119 K 4.1108 9.5327 121.2217 56.5922 31.5512 176.2651 120 M 4.6518 8.2301 120.1833 55.4020 33.0165 175.4153 121 F 5.6096 8.5345 116.8498 55.0692 41.7787 173.7834 122 A 4.8471 9.1228 121.7658 50.1770 22.7110 174.9153 123 V 4.4315 8.2041 121.6087 60.9975 33.9283 174.3377 124 F 5.2915 8.6301 127.0943 55.9586 41.5296 175.1145 125 Y 4.8818 9.7269 122.2308 56.3356 39.6086 173.3494 126 P 4.4173 0.0000 0.0000 65.1338 31.7647 176.4548 127 Y 3.5095 8.5586 118.7561 58.1655 36.0006 168.6335 128 E 4.6394 7.9613 120.1732 54.2816 30.8585 174.2491 129 P 4.7972 0.0000 0.0000 62.6111 32.9158 175.1439 130 H 4.9147 8.6286 118.2982 54.1552 32.4717 172.5338 131 K 4.6245 8.8698 121.9450 54.1701 33.8324 173.8700 132 P 4.6767 0.0000 0.0000 62.0467 33.8711 175.5776 133 C 4.0975 9.0328 115.6462 61.1825 26.3819 173.2677 134 C 4.5068 7.7294 116.7042 58.1805 28.9053 173.9527 135 V 3.7588 8.2526 122.5928 62.1362 31.3129 175.6957 136 V 4.0138 8.3471 123.5064 62.3248 31.6737 175.1382 137 N 4.2276 9.1537 125.4853 54.6338 35.4088 174.6329 138 G 3.9814 8.4218 102.4799 46.1982 0.0000 173.9196 139 K 4.4048 7.5466 118.7623 53.9700 33.6031 176.2067 140 T 3.9379 8.5519 119.6192 61.9086 67.5741 172.8578 141 E 4.5875 8.4739 129.1283 54.0250 32.3192 175.6625 142 K 4.1745 8.5027 126.8090 55.6864 31.1152 175.9762 143 I 4.4980 7.8382 119.7594 59.3306 40.6747 174.1836 144 K 5.0118 8.6779 123.7211 54.7545 35.4299 174.8452 145 K 4.9487 8.5038 123.8265 56.5387 36.5284 173.5526 146 L 5.1337 8.7891 121.2029 53.8652 46.4270 174.9038 147 V 4.6968 8.5302 122.2087 61.4814 34.7527 173.9668 148 V 4.3265 8.8804 129.1699 61.8635 33.0168 174.7007 149 K 4.8234 8.5819 127.3599 54.7863 34.1119 175.5238 150 V 4.7395 8.5824 118.8569 58.4932 35.0628 173.6107 151 P 4.1566 0.0000 0.0000 62.6863 31.7273 177.7169 152 V 3.6311 8.8093 125.4062 64.4981 31.4552 178.2236 153 K 3.9747 8.1255 120.5294 59.3966 31.8465 177.1638 154 L 4.2128 7.9677 116.7771 55.9782 41.8985 176.9819 155 I 4.0521 8.0250 125.1975 61.4387 37.1091 175.4802 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 8.30 4.85 0.00 2.46 2.38 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.77 0.00 2 I 7.92 4.50 1.87 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 1.34 0.96 0.95 0.00 0.00 3 I 8.25 4.62 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.81 0.00 0.00 4 S 8.06 4.05 0.00 3.44 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 5 S 8.17 4.96 0.00 3.82 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 6 L 8.95 3.38 0.00 1.57 1.68 0.81 0.13 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 7 T 7.37 4.29 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 1.23 0.00 0.00 8 N 7.76 4.79 0.00 2.94 2.99 0.00 0.00 6.54 7.62 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 9 P 0.00 4.40 0.00 2.22 2.27 0.00 3.79 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 2.02 2.03 0.00 10 N 8.46 4.82 0.00 2.98 2.87 0.00 0.00 6.56 8.22 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 11 F 8.02 4.37 0.00 3.39 3.56 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 12 K 7.23 4.03 0.00 1.53 1.66 0.00 1.47 0.00 0.00 1.35 0.00 0.00 2.69 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.62 7.81 13 V 7.79 3.65 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 0.73 0.00 0.00 0.92 0.00 0.00 14 G 8.93 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 15 L 7.52 4.22 0.00 1.89 1.69 1.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.35 0.00 2.24 2.07 0.00 3.74 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 17 K 8.79 3.89 0.00 1.95 2.09 0.00 1.55 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.47 7.81 18 V 7.90 3.63 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 19 I 7.67 3.73 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.84 0.00 0.00 20 A 8.34 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.61 3.93 0.00 2.26 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 2.35 2.33 0.00 22 V 7.76 3.61 2.15 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 0.95 0.00 0.00 0.94 0.00 0.00 23 C 8.43 4.00 0.00 3.29 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 24 D 8.28 4.50 0.00 2.87 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 25 Y 8.12 4.24 0.00 3.14 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 26 L 8.00 3.88 0.00 1.63 1.62 0.81 0.54 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 27 N 7.68 4.39 0.00 2.98 2.87 0.00 0.00 7.03 6.91 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 28 T 7.60 3.96 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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 29 L 6.79 4.42 0.00 1.47 1.43 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.04 4.63 0.00 2.71 2.54 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 0.00 31 L 8.18 4.01 0.00 1.75 1.66 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.15 4.31 0.00 2.66 2.83 0.00 0.00 6.86 7.96 0.00 0.00 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 A 7.51 4.52 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 34 L 7.49 4.19 0.00 1.82 1.58 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.83 4.04 0.00 2.03 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 2.33 2.37 0.00 36 N 8.69 4.20 0.00 2.71 2.81 0.00 0.00 7.43 7.65 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 37 G 9.48 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 0.00 0.00 0.00 38 R 8.16 4.66 0.00 1.85 1.84 0.00 3.08 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 39 H 9.08 4.97 0.00 3.17 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.77 5.02 0.00 2.59 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 41 I 8.71 4.22 1.85 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 0.93 0.57 0.33 0.00 0.00 42 N 7.61 5.00 0.00 2.61 2.75 0.00 0.00 6.84 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 43 D 8.73 4.16 0.00 2.67 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 44 Q 7.65 4.73 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.35 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 45 I 7.92 4.98 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.43 0.90 0.00 0.00 46 Y 7.84 5.45 0.00 3.12 3.15 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 0.00 47 M 9.77 5.22 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 48 N 8.95 5.32 0.00 2.67 2.79 0.00 0.00 6.73 7.22 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 49 V 8.35 4.87 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 50 M 8.70 4.99 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 51 E 8.56 5.11 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 52 P 0.00 4.72 0.00 2.16 1.80 0.00 3.94 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 1.94 1.94 0.00 *61 K 8.44 4.09 0.00 1.73 1.83 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.35 7.81 62 A 8.72 4.68 1.20 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 0.00 0.00 63 E 8.98 5.65 0.00 1.91 1.89 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 2.05 1.70 0.00 64 L 8.06 4.70 0.00 1.58 1.70 0.10 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.64 5.33 0.00 3.26 3.57 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.65 3.97 0.00 3.08 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.70 4.40 0.00 2.06 1.87 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 0.00 2.43 2.66 0.00 68 Y 8.01 5.26 0.00 2.91 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 69 L 9.57 4.83 0.00 1.84 1.91 1.02 0.93 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 70 D 8.99 5.51 0.00 2.83 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 71 V 8.66 4.64 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 0.82 0.00 0.00 0.75 0.00 0.00 72 Q 9.14 4.85 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 73 V 8.68 5.24 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 1.31 0.00 0.00 0.89 0.00 0.00 74 L 8.60 4.43 0.00 1.83 1.66 0.99 1.13 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 75 I 8.81 4.07 1.96 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 1.09 0.70 0.93 0.00 0.00 76 R 7.86 4.41 0.00 1.82 1.69 0.00 3.13 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 77 G 9.17 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 0.00 0.00 0.00 78 T 8.00 4.96 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 79 E 9.02 4.73 0.00 2.01 1.73 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 2.20 2.27 0.00 80 N 8.77 5.23 0.00 2.89 2.69 0.00 0.00 6.61 7.19 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 81 I 8.54 4.99 1.95 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 1.27 0.70 0.93 0.00 0.00 82 E 8.82 4.78 0.00 1.85 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 2.25 2.24 0.00 83 V 8.57 4.74 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 0.61 0.00 0.00 0.02 0.00 0.00 84 G 8.40 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 9.28 4.48 1.56 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 0.00 0.00 86 T 7.74 4.46 4.34 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 1.35 0.00 0.00 87 Y 8.47 4.16 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.41 0.00 1.98 1.92 0.00 2.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.65 0.00 89 N 8.63 4.47 0.00 2.81 2.87 0.00 0.00 7.10 6.66 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 90 L 8.55 4.04 0.00 1.76 1.70 0.85 0.57 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 91 S 8.05 4.67 0.00 4.06 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 92 K 8.06 4.36 0.00 2.05 1.89 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.46 7.81 93 Y 7.35 4.57 0.00 3.16 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.94 4.31 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 95 D 8.74 4.53 0.00 2.56 2.65 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 96 Y 8.73 4.16 0.00 2.95 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 97 N 7.86 4.41 0.00 2.26 1.42 0.00 0.00 6.78 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 98 E 8.25 3.27 0.00 1.92 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 2.21 2.21 0.00 99 A 7.94 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.91 4.68 0.00 2.92 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 0.00 101 D 7.56 4.19 0.00 3.02 2.78 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 0.00 102 Y 6.19 5.27 0.00 3.15 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 0.00 103 Q 9.39 5.15 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 104 L 8.73 5.38 0.00 1.62 1.52 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.71 4.57 0.00 1.23 1.81 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 0.00 106 A 8.72 3.83 1.21 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 0.00 0.00 107 D 7.53 4.85 0.00 2.52 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 0.00 108 I 7.98 4.55 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.74 0.94 0.00 0.00 109 D 8.70 4.57 0.00 2.71 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 0.00 110 D 8.69 4.51 0.00 2.92 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 0.00 111 K 8.08 4.68 0.00 1.79 1.97 0.00 1.53 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 112 F 8.30 5.05 0.00 3.10 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 0.00 113 T 8.69 5.02 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 114 V 8.92 4.32 2.16 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 0.88 0.00 0.00 1.01 0.00 0.00 115 T 8.59 4.86 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 116 M 9.79 4.50 0.00 1.78 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 117 K 8.40 4.92 0.00 1.64 1.67 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.37 7.81 118 P 0.00 4.54 0.00 2.03 2.22 0.00 3.73 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 2.02 2.26 0.00 119 K 9.53 4.11 0.00 1.92 1.99 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.52 7.81 120 M 8.23 4.65 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 121 F 8.53 5.61 0.00 3.04 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 0.00 122 A 9.12 4.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.20 4.43 1.82 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 0.35 0.00 0.00 0.98 0.00 0.00 124 F 8.63 5.29 0.00 2.89 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 0.00 125 Y 9.73 4.88 0.00 3.11 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 0.00 126 P 0.00 4.42 0.00 2.25 2.09 0.00 4.04 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 127 Y 8.56 3.51 0.00 3.24 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 0.00 128 E 7.96 4.64 0.00 2.09 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 2.48 2.64 0.00 129 P 0.00 4.80 0.00 2.05 2.04 0.00 3.82 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 130 H 8.63 4.91 0.00 2.49 2.02 0.00 5.20 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.87 4.62 0.00 1.70 1.60 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.46 7.81 132 P 0.00 4.68 0.00 2.14 2.13 0.00 3.91 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 1.97 2.03 0.00 133 C 9.03 4.10 0.00 3.07 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 0.00 134 C 7.73 4.51 0.00 3.12 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 0.00 135 V 8.25 3.76 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 0.70 0.00 0.00 0.98 0.00 0.00 136 V 8.35 4.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.05 0.00 0.00 137 N 9.15 4.23 0.00 2.93 2.93 0.00 0.00 7.17 7.65 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 0.00 138 G 8.42 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 0.00 0.00 0.00 139 K 7.55 4.40 0.00 1.83 1.73 0.00 1.88 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81 140 T 8.55 3.94 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 1.21 0.00 0.00 141 E 8.47 4.59 0.00 1.91 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 0.00 2.16 2.24 0.00 142 K 8.50 4.17 0.00 1.75 1.74 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81 143 I 7.84 4.50 1.97 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 1.23 0.70 0.93 0.00 0.00 144 K 8.68 5.01 0.00 1.80 1.63 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.31 1.50 7.81 145 K 8.50 4.95 0.00 2.00 1.87 0.00 1.35 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.38 7.81 146 L 8.79 5.13 0.00 1.69 1.47 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.53 4.70 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 0.84 0.00 0.00 0.96 0.00 0.00 148 V 8.88 4.33 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 0.92 0.00 0.00 0.87 0.00 0.00 149 K 8.58 4.82 0.00 0.79 0.87 0.00 1.13 0.00 0.00 1.50 0.00 0.00 2.66 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.97 0.93 7.81 150 V 8.58 4.74 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 0.81 0.00 0.00 0.96 0.00 0.00 151 P 0.00 4.16 0.00 1.96 1.71 0.00 3.64 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 152 V 8.81 3.63 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 0.81 0.00 0.00 1.05 0.00 0.00 153 K 8.13 3.97 0.00 1.71 1.86 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.47 7.81 154 L 7.97 4.21 0.00 1.84 1.71 0.93 0.89 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 0.00 155 I 8.02 4.05 2.11 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 1.02 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.