NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4781 8.3049 118.1945 55.5361 32.1011 175.8718 2 L 4.0960 8.5069 113.1019 52.8696 43.6583 171.2705 3 K 3.9008 8.3182 125.4868 55.5825 32.7113 174.5260 4 Q 4.6561 8.3784 127.4796 56.4900 30.0178 175.4502 5 V 4.5471 9.3405 124.9570 61.4748 35.6632 173.0606 6 E 4.9633 8.7850 126.0428 54.5882 32.2525 174.7839 7 I 4.8716 8.0763 124.2459 59.3552 41.0124 174.4565 8 F 5.3362 8.9011 124.5383 55.9639 42.3574 174.2991 9 T 5.5427 8.3152 112.0186 59.9627 72.4660 172.5898 10 D 4.5068 8.2419 117.4020 53.6181 44.6271 174.5488 11 G 4.6094 9.0792 112.7046 44.5483 0.0000 172.1437 12 S 5.0794 8.6805 120.2611 57.0464 65.9715 172.8240 13 C 5.0216 8.2723 120.2444 58.2559 34.2533 173.7131 14 L 4.3183 8.7933 124.4944 54.6843 41.7645 176.7856 15 G 3.9392 6.8498 106.9163 45.1530 0.0000 172.9149 16 N 4.9028 8.5952 118.1374 50.2416 37.9690 172.2616 17 P 4.7024 0.0000 0.0000 62.4185 33.6620 175.1710 18 G 3.9704 7.9726 105.5480 45.5586 0.0000 170.3752 19 P 5.1924 0.0000 0.0000 62.2922 32.4158 176.3739 20 G 4.5790 9.1230 110.7266 44.7948 0.0000 170.9639 21 G 4.7840 9.1353 106.4698 45.0430 0.0000 171.2807 22 Y 5.4689 8.3545 117.4016 55.0410 41.9220 174.8018 23 G 4.7293 9.3900 107.6047 44.7321 0.0000 171.3457 24 A 5.5519 9.3130 125.9858 50.4122 23.4305 174.7020 25 I 5.1467 9.0965 120.2359 59.4225 41.6204 174.2979 26 L 5.1139 8.8830 127.8967 53.0392 44.3168 174.0799 27 R 4.7357 8.5977 128.6082 58.4162 32.5701 175.1983 28 Y 4.1136 6.7781 114.0656 54.3673 38.7506 175.4261 29 R 5.0715 9.4326 134.2500 56.8375 29.0245 172.9782 30 G 3.7640 7.3101 111.9293 45.7690 0.0000 175.3699 31 R 4.2870 7.0994 123.9241 56.3937 32.4440 174.5292 32 E 4.8317 7.9221 112.6365 55.7770 32.4309 176.4496 33 K 4.6487 8.5456 125.8914 54.8415 35.8648 175.1660 34 T 5.0874 8.0417 118.2122 61.8755 71.6988 173.4112 35 F 5.2127 9.2960 122.4232 55.6007 43.5304 174.2848 36 S 5.6954 8.9080 115.4540 58.4659 64.2654 176.1781 37 A 4.3358 6.7278 122.1764 50.8154 22.5092 175.0846 38 G 4.2385 8.2618 106.8176 44.5665 0.0000 171.7187 39 Y 5.8893 9.3985 119.6444 55.0103 41.7165 176.9203 40 T 3.9058 8.7915 112.8055 64.4442 70.0439 174.0099 41 R 4.8504 7.6872 121.6074 54.7867 32.9895 173.7839 42 T 3.9545 8.3899 120.9145 61.8026 71.6080 171.4654 43 T 4.7522 7.7132 109.6342 59.1468 72.4060 174.4853 44 N 4.2195 8.8883 120.1715 57.1877 38.9967 176.5768 45 N 4.2074 7.9474 117.0582 56.4919 38.4522 177.4875 46 R 3.9035 7.5379 118.1270 59.4504 30.1186 179.0537 47 M 4.1125 8.1026 118.5217 58.2364 31.7379 178.7278 48 E 4.0725 8.4801 119.1802 59.1528 29.5947 179.2024 49 L 3.8828 7.7592 118.6543 58.0812 41.6578 179.0181 50 M 3.7166 8.0809 117.9439 58.5430 31.8586 177.8836 51 A 3.6274 7.8379 120.4278 55.2855 18.6119 179.5674 52 A 3.9220 7.6972 119.0454 55.2201 18.3438 179.7128 53 I 3.5233 7.9676 118.7390 64.4779 36.9905 178.4162 54 V 3.2631 7.5034 118.1228 66.2817 31.4296 177.8294 55 A 3.5106 7.3277 120.0766 54.6852 18.1182 179.6593 56 L 3.8515 7.6953 117.7024 57.8194 41.6426 179.1620 57 E 4.1340 8.1755 116.6461 58.3093 29.4159 178.6851 58 A 4.2136 7.2013 120.1060 53.3444 18.5819 177.7935 59 L 4.0518 7.2610 118.4323 55.0417 41.8489 177.1844 60 K 4.3913 8.6435 122.4125 56.3937 32.4772 175.5670 61 E 4.6529 7.4868 115.7971 54.8613 32.4045 174.1212 62 H 4.7477 8.4464 116.7623 56.4577 29.3124 174.8790 63 C 5.0646 8.7014 118.6823 57.2751 33.6540 172.5415 64 E 4.6879 8.8609 121.4474 55.2720 30.1049 174.5203 65 V 4.6535 8.5538 128.0210 60.9245 34.4557 174.2317 66 I 4.4554 8.2568 128.2063 59.3173 39.6166 173.6051 67 L 4.4952 7.8944 133.0155 53.3515 43.5138 174.7699 68 S 5.2188 8.6101 122.3053 56.9557 64.4859 172.6748 69 T 4.9900 8.8004 120.3630 60.9453 71.0645 173.4111 70 D 4.9538 8.8388 124.9258 53.2361 40.3109 176.6396 71 S 4.4129 8.2924 116.1751 58.4749 63.0230 174.6289 72 Q 3.9931 8.7716 129.2221 58.5770 28.7709 177.9139 73 Y 4.2951 8.0428 120.7345 60.7253 38.9832 177.7485 74 V 3.8665 8.2062 119.3874 65.8468 31.6555 177.6900 75 R 2.5100 7.4661 118.1426 59.1761 29.4384 178.5561 76 Q 3.3014 7.4630 117.1935 57.8896 28.3839 178.9927 77 G 2.7147 6.5999 105.9775 46.7520 0.0000 175.6603 78 I 3.5335 7.2542 122.5934 63.9894 37.1334 177.6906 79 T 4.0321 7.1802 106.4219 62.4599 68.2464 174.7146 80 Q 4.0677 6.8204 120.1848 55.5776 33.1360 176.8212 81 W 3.3968 6.5672 118.4188 60.2018 28.9532 178.3728 82 I 3.5932 6.6561 117.4765 64.3732 37.2720 176.8378 83 H 4.1507 7.7186 118.1947 59.0992 29.8498 176.8800 84 N 4.2128 7.2571 115.3236 55.9329 38.6094 176.9053 85 W 4.4206 8.1218 121.5113 58.9052 29.0606 178.1104 86 K 2.4970 6.9946 119.4101 58.6814 31.8954 177.0879 87 A 4.5174 7.0676 120.5857 51.1836 19.6960 176.6040 88 R 4.4705 8.1044 113.5721 57.5414 32.4919 174.3333 89 G 3.8879 8.3031 103.1062 51.0100 0.0000 176.2388 90 W 3.7728 6.6654 117.4442 58.3037 26.3493 173.5731 91 K 4.8475 7.6087 121.7166 55.0255 35.9166 174.6984 92 T 4.7224 7.9242 107.8906 60.5711 71.5708 173.7009 93 A 3.7856 8.7521 123.3170 55.1169 17.8632 178.0756 94 D 4.8458 8.0021 114.2415 52.8482 39.7792 176.7356 95 K 3.8611 8.5980 116.1369 57.8657 30.4669 175.1195 96 K 4.5672 7.4502 117.0355 53.5945 34.2970 174.2702 97 P 4.3567 0.0000 0.0000 63.1680 31.4984 176.1476 98 V 4.0186 7.6793 112.7100 58.8935 33.1840 175.8290 99 K 3.8944 8.4275 125.2591 58.1077 32.6810 175.7144 100 N 4.4297 8.9893 121.1456 53.9530 36.4466 176.8432 101 V 3.5909 7.4023 119.8865 65.1171 30.9857 176.9371 102 D 4.2373 7.9573 119.0962 55.9694 39.1761 178.5098 103 L 3.8792 7.5555 119.7135 57.1328 41.8540 178.8960 104 W 4.4417 8.0282 118.7752 60.1693 29.0167 178.3988 105 Q 3.1864 8.2283 119.5683 58.9211 27.7047 178.4178 106 R 3.9404 7.4383 119.5283 58.9441 30.1504 178.2002 107 L 4.0535 8.5392 120.5935 58.1673 42.0129 178.1294 108 D 4.6091 9.4341 119.0982 57.7006 40.9235 178.2413 109 A 4.0961 7.8164 119.9195 55.1462 18.6386 179.1532 110 A 4.1247 7.7583 118.2051 55.1291 18.4452 179.6393 111 L 4.1768 8.1962 117.7356 58.0927 41.6762 179.7858 112 G 3.8308 7.6441 101.4060 46.3628 0.0000 174.4608 113 Q 4.2982 7.8932 120.1311 57.1148 29.5442 174.4387 114 H 4.9769 7.8501 114.4743 54.2758 33.5503 173.5162 115 Q 4.3969 8.8943 118.4716 55.0947 29.2083 174.8619 116 I 4.4313 8.1194 125.0212 59.4886 38.9146 175.4177 117 K 4.4240 8.7238 127.8145 54.4837 33.7596 175.6646 118 W 4.4547 8.6536 125.5878 55.6241 30.6564 175.8974 119 E 4.2509 8.7195 125.7448 54.0973 31.0238 174.8570 120 W 5.0831 8.3821 127.8933 56.6061 29.6329 176.1654 121 V 4.5610 8.4317 120.7790 59.7384 33.7950 175.3214 122 K 4.8498 8.4713 121.3001 56.4993 33.8801 174.7697 123 G 3.5880 8.6847 112.1030 49.0763 0.0000 173.8580 124 H 4.3787 8.8502 121.8892 57.7117 30.4408 176.5376 125 A 4.4008 7.9162 123.7728 50.4696 16.9081 177.4417 126 G 3.9995 7.6094 106.7007 44.6067 0.0000 172.4940 127 H 4.1215 8.1381 120.1608 54.8333 29.8571 174.4917 128 P 4.3209 0.0000 0.0000 65.3005 30.8425 178.7015 129 E 3.6165 7.9331 117.4911 59.4672 29.1007 179.0536 130 N 4.3742 7.5806 114.5390 56.4852 38.6170 177.0833 131 E 3.9116 8.2396 120.1006 59.2061 29.5036 178.8403 132 R 3.8217 8.0701 118.7753 59.6578 30.2423 178.1184 133 C 4.1345 7.8222 116.2087 62.8336 28.0275 175.8552 134 A 4.0567 8.2154 122.2798 55.4321 17.8386 179.3618 135 E 3.8968 7.9093 116.5529 59.7311 29.6376 179.3807 136 L 3.7644 8.1199 118.5480 58.0490 41.7012 179.8382 137 A 4.0026 8.5036 120.8961 55.2066 18.3246 179.7317 138 R 4.1161 8.6259 118.6995 58.7845 29.8789 178.5253 139 A 3.9404 8.5981 120.4827 55.2088 18.7047 179.2322 140 A 4.0101 8.1307 118.9746 54.9269 18.1775 179.7560 141 A 3.9768 7.8430 118.8947 55.4639 18.5927 179.2095 142 M 4.2818 8.0542 114.3381 56.3284 33.2564 176.9158 143 N 4.9564 7.6109 117.0690 51.7912 40.3013 172.3015 144 P 4.3448 0.0000 0.0000 63.0663 32.4643 177.0842 145 T 4.3888 8.2514 110.4192 61.3180 70.9551 173.9257 146 L 4.6695 7.2318 120.2795 52.5275 44.6276 174.4241 147 E 4.9101 8.4216 120.7595 55.0491 31.2681 176.2416 148 D 4.8231 8.4958 126.0781 52.4675 39.7304 176.4446 149 T 3.9122 8.2486 113.1894 63.7549 68.9491 175.9813 150 G 3.7745 8.1158 108.7691 45.5398 0.0000 172.6800 151 Y 4.3252 7.9269 122.2389 56.3121 38.4509 175.4172 152 Q 3.8300 8.1279 127.5446 54.9452 27.9523 176.3319 153 V 3.0433 7.7755 116.8075 61.8557 31.6182 176.6238 154 E 4.0726 8.6529 123.9034 55.8380 30.1508 176.7925 155 V 3.6678 7.7600 123.3229 63.3356 32.5800 171.9603 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 4.48 0.00 2.14 2.02 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 2.53 2.57 0.00 2 L 8.51 4.10 0.00 1.79 1.74 0.92 0.54 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 3 K 8.32 3.90 0.00 2.00 1.92 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.46 7.81 4 Q 8.38 4.66 0.00 2.38 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.46 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 5 V 9.34 4.55 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 0.81 0.00 0.00 0.91 0.00 0.00 6 E 8.78 4.96 0.00 1.93 1.46 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 2.38 2.33 0.00 7 I 8.08 4.87 1.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 0.78 0.00 0.00 8 F 8.90 5.34 0.00 3.01 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 9 T 8.32 5.54 4.33 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 1.25 0.00 0.00 10 D 8.24 4.51 0.00 2.82 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 11 G 9.08 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.68 5.08 0.00 3.95 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 13 C 8.27 5.02 0.00 2.92 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 14 L 8.79 4.32 0.00 1.75 1.69 0.92 0.71 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 15 G 6.85 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.60 4.90 0.00 2.66 2.80 0.00 0.00 6.05 7.75 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 17 P 0.00 4.70 0.00 1.95 1.93 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 18 G 7.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 5.19 0.00 2.08 1.99 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 20 G 9.12 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.14 4.78 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 22 Y 8.35 5.47 0.00 3.00 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 23 G 9.39 4.73 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 0.00 0.00 0.00 24 A 9.31 5.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.10 5.15 2.24 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 1.20 1.17 1.10 0.00 0.00 26 L 8.88 5.11 0.00 1.96 1.60 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.60 4.74 0.00 1.90 1.59 0.00 2.21 0.00 0.00 2.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.44 0.00 28 Y 6.78 4.11 0.00 3.54 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 29 R 9.43 5.07 0.00 1.90 2.11 0.00 3.31 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 30 G 7.31 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 31 R 7.10 4.29 0.00 1.76 1.88 0.00 3.29 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 32 E 7.92 4.83 0.00 1.83 1.67 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 2.24 2.08 0.00 33 K 8.55 4.65 0.00 1.60 1.23 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.26 1.43 7.81 34 T 8.04 5.09 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 1.26 0.00 0.00 35 F 9.30 5.21 0.00 3.08 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 36 S 8.91 5.70 0.00 3.83 3.87 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 0.00 0.00 0.00 37 A 6.73 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.26 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.40 5.89 0.00 2.84 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 40 T 8.79 3.91 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 41 R 7.69 4.85 0.00 1.80 1.87 0.00 3.31 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 42 T 8.39 3.95 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 1.19 0.00 0.00 43 T 7.71 4.75 4.10 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 0.88 0.00 0.00 44 N 8.89 4.22 0.00 2.82 2.83 0.00 0.00 6.89 6.71 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 45 N 7.95 4.21 0.00 2.34 1.68 0.00 0.00 7.09 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 46 R 7.54 3.90 0.00 1.76 1.85 0.00 3.46 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 47 M 8.10 4.11 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.82 0.00 48 E 8.48 4.07 0.00 2.12 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 0.00 2.50 2.71 0.00 49 L 7.76 3.88 0.00 1.70 1.41 0.06 -0.54 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 50 M 8.08 3.72 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.68 0.00 51 A 7.84 3.63 1.46 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 52 A 7.70 3.92 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.97 3.52 1.84 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 1.37 0.77 0.82 0.00 0.00 54 V 7.50 3.26 1.61 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 0.38 0.00 0.00 0.61 0.00 0.00 55 A 7.33 3.51 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 56 L 7.70 3.85 0.00 1.86 1.71 0.93 0.70 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 57 E 8.18 4.13 0.00 1.83 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 0.00 2.33 2.43 0.00 58 A 7.20 4.21 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 59 L 7.26 4.05 0.00 1.73 1.60 0.52 0.86 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 60 K 8.64 4.39 0.00 1.75 1.84 0.00 1.93 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.38 7.81 61 E 7.49 4.65 0.00 1.99 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 2.20 2.28 0.00 62 H 8.45 4.75 0.00 3.07 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.70 5.06 0.00 2.71 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 64 E 8.86 4.69 0.00 2.03 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 2.18 2.19 0.00 65 V 8.55 4.65 1.84 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 0.55 0.00 0.00 0.74 0.00 0.00 66 I 8.26 4.46 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.23 0.76 0.00 0.00 67 L 7.89 4.50 0.00 0.97 0.36 0.18 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.61 5.22 0.00 3.88 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 69 T 8.80 4.99 4.49 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 1.73 0.00 0.00 70 D 8.84 4.95 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.29 4.41 0.00 4.27 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 72 Q 8.77 3.99 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 73 Y 8.04 4.30 0.00 3.17 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 74 V 8.21 3.87 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 1.07 0.00 0.00 1.03 0.00 0.00 75 R 7.47 2.51 0.00 0.86 1.41 0.00 2.40 0.00 0.00 2.64 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 76 Q 7.46 3.30 0.00 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 77 G 6.60 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 0.00 0.00 0.00 78 I 7.25 3.53 1.49 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 1.30 -0.36 0.53 0.00 0.00 79 T 7.18 4.03 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 1.03 0.00 0.00 80 Q 6.82 4.07 0.00 1.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 81 W 6.57 3.40 0.00 1.78 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 82 I 6.66 3.59 1.64 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.84 0.00 0.00 83 H 7.72 4.15 0.00 3.17 3.26 0.00 5.93 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 84 N 7.26 4.21 0.00 2.49 2.74 0.00 0.00 7.16 7.55 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 85 W 8.12 4.42 0.00 3.09 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 86 K 6.99 2.50 0.00 1.01 1.49 0.00 2.04 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.18 7.81 87 A 7.07 4.52 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.10 4.47 0.00 1.98 2.04 0.00 3.25 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.41 0.00 89 G 8.30 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 90 W 6.67 3.77 0.00 3.29 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 91 K 7.61 4.85 0.00 1.91 1.72 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.62 7.81 92 T 7.92 4.72 4.30 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 nan 0.00 0.00 93 A 8.75 3.79 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 94 D 8.00 4.85 0.00 2.83 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 95 K 8.60 3.86 0.00 1.86 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.53 7.81 96 K 7.45 4.57 0.00 2.12 1.66 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.53 7.81 97 P 0.00 4.36 0.00 1.97 1.94 0.00 3.61 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 1.99 2.09 0.00 98 V 7.68 4.02 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 -0.05 0.00 0.00 0.50 0.00 0.00 99 K 8.43 3.89 0.00 1.71 1.88 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.60 7.81 100 N 8.99 4.43 0.00 3.19 2.88 0.00 0.00 6.85 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.40 3.59 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 0.85 0.00 0.00 0.53 0.00 0.00 102 D 7.96 4.24 0.00 2.82 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.56 3.88 0.00 1.64 1.49 0.81 0.87 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 0.00 104 W 8.03 4.44 0.00 3.46 3.54 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 0.00 105 Q 8.23 3.19 0.00 0.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 106 R 7.44 3.94 0.00 2.15 2.08 0.00 3.11 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 107 L 8.54 4.05 0.00 1.77 1.99 1.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.43 4.61 0.00 3.27 3.08 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 0.00 109 A 7.82 4.10 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 0.00 110 A 7.76 4.12 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 0.00 111 L 8.20 4.18 0.00 2.04 1.92 1.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.64 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 0.00 113 Q 7.89 4.30 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.60 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 114 H 7.85 4.98 0.00 2.96 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.89 4.40 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 116 I 8.12 4.43 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 -0.27 0.00 0.00 117 K 8.72 4.42 0.00 1.54 1.63 0.00 1.46 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.39 7.81 118 W 8.65 4.45 0.00 2.51 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 0.00 119 E 8.72 4.25 0.00 1.87 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 2.21 2.24 0.00 120 W 8.38 5.08 0.00 3.26 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 0.00 121 V 8.43 4.56 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 0.80 0.00 0.00 1.16 0.00 0.00 122 K 8.47 4.85 0.00 1.75 1.68 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.45 7.81 123 G 8.68 3.59 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 0.00 124 H 8.85 4.38 0.00 3.12 3.41 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.92 4.40 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.61 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 0.00 127 H 8.14 4.12 0.00 3.10 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.32 0.00 2.07 2.04 0.00 3.57 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 129 E 7.93 3.62 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.90 0.00 130 N 7.58 4.37 0.00 2.86 2.94 0.00 0.00 6.71 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 0.00 131 E 8.24 3.91 0.00 2.02 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 2.28 2.41 0.00 132 R 8.07 3.82 0.00 2.12 1.89 0.00 3.29 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 133 C 7.82 4.13 0.00 3.26 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 0.00 134 A 8.22 4.06 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.91 3.90 0.00 2.18 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 2.33 2.62 0.00 136 L 8.12 3.76 0.00 1.91 1.77 0.95 0.61 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 0.00 137 A 8.50 4.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.63 4.12 0.00 1.97 2.08 0.00 3.16 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 139 A 8.60 3.94 1.36 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 0.00 140 A 8.13 4.01 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.84 3.98 1.43 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 0.00 0.00 142 M 8.05 4.28 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.93 0.00 143 N 7.61 4.96 0.00 2.62 2.63 0.00 0.00 7.13 7.73 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 0.00 144 P 0.00 4.34 0.00 2.23 2.13 0.00 3.73 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.25 4.39 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 1.21 0.00 0.00 146 L 7.23 4.67 0.00 1.06 1.46 0.65 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.42 4.91 0.00 1.96 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 2.31 2.35 0.00 148 D 8.50 4.82 0.00 2.66 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 T 8.25 3.91 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 150 G 8.12 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 0.00 151 Y 7.93 4.33 0.00 3.04 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 0.00 152 Q 8.13 3.83 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 153 V 7.78 3.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.84 0.00 0.00 154 E 8.65 4.07 0.00 2.01 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 2.24 2.37 0.00 155 V 7.76 3.67 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 0.72 0.00 0.00 0.92 0.00 0.00