NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9414 8.3544 109.7364 44.6676 0.0000 173.3965 0 S 4.3527 7.5380 113.0607 56.4330 65.1243 171.6834 1 M 4.5851 8.3184 124.1063 53.1821 35.6425 175.2112 2 D 4.4999 8.3557 118.1677 54.5154 41.3739 176.2529 3 F 4.1985 8.7371 130.1221 60.8282 39.5216 175.0478 4 P 4.2045 0.0000 0.0000 66.1088 31.2013 179.2923 *5 Q 4.0251 7.8456 118.3032 60.3404 28.0597 180.3930 6 H 4.3718 8.2113 120.6979 59.1155 29.8732 177.5787 7 S 3.8021 7.7183 116.0933 61.2073 62.5209 176.4069 8 Q 3.8443 7.5886 121.7305 59.0395 28.5260 178.2695 9 H 4.0776 7.8777 118.5192 59.2314 29.9067 177.2207 10 V 3.2904 7.4848 119.8830 65.8627 31.3128 177.6984 11 L 3.8470 7.9757 120.1116 58.3318 41.8595 178.7621 12 E 4.0023 8.3635 118.6297 59.5281 29.3214 179.4532 13 Q 4.0441 8.0246 118.1927 58.7347 28.9244 178.4806 14 L 4.0993 8.0004 120.1129 57.4635 41.5945 179.0629 15 N 4.3026 8.4024 117.3970 56.7157 38.6710 176.9256 16 Q 3.9904 7.8952 119.2928 59.0525 28.7701 178.7929 17 Q 4.0613 8.1618 118.9799 58.9418 28.7029 178.9207 18 R 3.7243 7.7936 119.1328 59.6001 29.9507 178.3391 19 Q 4.1424 7.8180 114.7920 57.1828 28.7097 177.0603 20 L 4.6457 7.0385 120.1678 53.6980 43.3611 176.5580 21 G 3.7997 8.2826 105.8263 46.2587 0.0000 173.2172 22 L 3.8886 7.9751 122.4632 55.5583 42.0460 176.2130 23 L 3.7276 8.6497 124.5584 55.7845 39.3534 174.2204 24 C 4.2535 7.4763 115.2420 59.7993 28.5070 173.1839 25 D 5.0730 8.3550 121.7057 52.9062 40.5486 174.4715 26 C 4.7691 7.7859 113.3506 57.9290 33.6464 172.4378 27 T 4.9325 8.4029 115.2307 61.7873 70.6909 173.6618 28 F 4.5801 9.5969 130.5513 56.8807 40.6640 174.6400 29 V 4.3714 8.0369 127.0180 62.1375 32.6829 175.5210 30 V 4.3965 9.0347 127.2503 61.8753 33.4317 174.6147 31 D 4.7174 9.7432 129.0547 54.0906 39.9912 174.3768 32 G 4.0303 7.9404 106.7542 45.0057 0.0000 174.3711 33 V 3.9283 7.6840 120.2867 62.1131 32.3899 174.5352 34 H 4.9849 8.3339 124.1188 55.6544 30.0172 174.9049 35 F 4.8656 8.7257 120.4744 55.8752 43.1575 174.3420 36 K 4.7428 8.9400 123.2773 56.7345 32.8258 176.0313 37 A 4.5666 8.5849 123.4783 51.2647 23.7278 174.9796 38 H 4.8557 9.8934 117.5026 55.3401 29.5828 176.8261 39 K 3.5378 9.6714 124.7597 59.5470 31.8970 178.6280 40 A 4.0332 8.0444 120.2034 55.3692 18.3191 179.7301 41 V 3.5045 7.8908 116.6070 65.9394 31.6003 178.3464 42 L 4.0637 7.9519 118.1357 57.8231 41.3569 179.1475 43 A 4.4252 8.1991 119.4882 55.2635 18.3997 179.2999 44 A 4.1202 7.9629 118.4864 55.1057 18.4702 179.0275 45 C 4.4275 7.8371 114.0176 60.6366 29.1814 174.3776 46 S 4.6259 8.1311 114.5938 55.3898 65.3340 174.2511 47 E 3.9743 8.3862 126.6351 59.2954 29.1640 178.4977 48 Y 3.8819 7.5068 119.7571 60.8013 38.7435 178.2173 49 F 4.0835 7.6587 118.1133 60.0257 38.9007 177.3187 50 K 4.0184 8.1954 119.4764 60.0116 32.0659 178.5999 51 M 3.9717 8.1162 118.2196 58.2852 31.8131 177.8744 52 L 3.7739 6.9830 119.8951 57.6465 42.2190 178.3443 53 F 4.7213 7.3007 117.0464 59.9151 39.1256 177.9670 54 V 3.9985 7.4232 117.4840 64.4356 32.6020 176.9227 55 D 4.5970 7.8713 122.3588 53.0803 42.7336 175.3033 56 Q 3.9314 8.5294 124.0879 58.4338 29.0236 179.1820 57 K 3.8919 8.2212 118.6120 59.3609 32.0640 176.9230 58 D 4.4972 7.9437 116.8268 55.2953 41.0524 176.1920 59 V 4.3575 7.1112 118.1454 58.7272 33.8549 175.7581 60 V 3.6355 8.1889 119.7382 62.5477 31.3655 176.8624 61 H 4.6129 8.4661 122.3295 54.0713 27.1317 172.1920 62 L 4.4821 8.0549 119.6476 52.7165 43.6738 175.9938 63 D 4.5588 8.6612 127.0276 53.7758 40.3278 175.4718 64 I 4.0389 8.1464 119.5214 60.4868 38.6896 177.6049 65 S 4.1602 7.9298 117.3043 61.7344 61.8716 175.2466 66 N 4.7777 8.0277 114.5355 52.6584 38.5333 174.3758 67 A 4.0703 8.2180 123.6289 51.8535 18.9130 177.4973 68 A 4.1336 8.3885 126.2310 53.4579 18.9200 177.9438 69 G 4.0221 8.9876 111.9870 45.3092 0.0000 175.1676 70 L 4.1545 7.8511 121.4094 58.1931 41.7767 178.8557 71 G 3.7567 8.2620 105.2122 48.1644 0.0000 175.4194 72 Q 3.9355 8.0001 120.0640 58.5026 28.8040 178.8400 73 V 3.7040 7.8727 119.6830 65.6531 31.1120 177.8663 74 L 3.7333 7.8561 119.6653 58.0954 42.0801 178.5206 75 E 3.7989 7.6655 118.1715 59.3529 29.3210 179.0356 76 F 4.2032 8.0944 121.5874 61.0948 39.2358 176.7115 77 M 3.9175 7.7462 116.4631 58.6693 31.9285 177.7105 78 Y 4.3727 7.4695 113.4254 58.4835 38.8488 176.9337 79 T 4.3596 7.3962 108.1365 60.1341 70.5432 174.4990 80 A 2.5800 7.9215 122.5981 52.0975 16.8414 176.5571 81 K 4.5756 7.5836 118.1097 55.6813 34.1549 175.1139 82 L 4.8886 8.6628 125.2510 53.5329 43.9255 176.6943 83 S 4.6404 8.4847 122.7153 57.0115 61.9046 173.0980 84 L 4.8424 7.8308 123.4163 53.3449 43.6360 176.2234 85 S 4.7208 9.4583 114.9354 55.1293 66.1646 173.2250 86 P 4.2683 0.0000 0.0000 65.9705 30.9738 178.4366 87 E 4.1522 8.1969 115.4300 58.3485 30.1083 177.6411 88 N 4.7791 8.0229 115.6271 52.4940 38.0613 176.7339 89 V 3.5529 7.6636 121.5371 66.5446 31.5519 177.3491 90 D 4.3234 7.9833 117.9300 57.3594 40.8598 178.3183 91 D 4.3046 7.9804 118.8870 57.3895 40.9256 178.7952 92 V 3.5739 7.7818 118.6649 65.8091 31.4048 177.7464 93 L 3.8117 8.0093 119.7586 58.0791 41.9494 178.6418 94 A 3.9787 8.2304 121.2690 55.3572 18.2597 180.0131 95 V 3.6777 7.7412 116.7038 64.5901 31.6139 178.4716 96 A 4.0023 8.0771 121.6364 55.0501 17.7938 179.7012 97 T 3.7810 8.2101 114.7821 66.7642 68.3004 176.5859 98 F 3.9878 7.9530 121.4338 61.1639 38.2079 176.7175 99 L 3.8143 8.2529 117.5132 54.7105 41.7366 176.7916 100 Q 3.4026 7.3390 116.2758 57.2472 26.5677 174.6109 101 M 4.3981 7.8973 119.0343 53.8757 32.2691 177.2750 102 Q 3.9747 8.5295 126.1142 59.0040 29.4642 177.2240 103 D 4.4319 8.1824 119.5690 57.6190 40.8614 178.8992 104 I 3.3967 7.4048 119.5125 64.0490 37.1110 177.9068 105 I 3.6261 7.5021 120.8947 65.0600 37.0184 178.4986 106 T 3.9778 8.1911 109.6100 64.1530 68.7321 176.7157 107 A 3.9544 7.7229 123.6595 55.3656 18.4373 179.3616 108 C 4.0646 8.3532 115.6631 63.2978 28.1724 176.0335 109 H 4.1669 8.4325 117.7640 58.7728 27.8245 177.6485 110 A 4.0078 8.2188 122.5543 55.3206 18.0278 179.7788 111 L 3.9961 7.8001 116.1717 57.6975 42.0868 179.5531 112 K 4.1194 8.4990 118.9652 59.6594 31.7974 179.4419 113 S 4.1740 8.0185 114.2112 61.7656 62.7990 176.6122 114 L 4.1277 7.6305 119.8235 56.7349 41.4298 177.5074 115 A 4.4138 7.6133 124.5089 52.1429 19.1910 176.5722 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 G 8.35 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 0 S 7.54 4.35 0.00 3.88 3.70 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 1 M 8.32 4.59 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 D 8.36 4.50 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 3 F 8.74 4.20 0.00 3.19 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 4 P 0.00 4.20 0.00 2.21 2.10 0.00 3.98 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 *5 Q 7.85 4.03 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 6 H 8.21 4.37 0.00 3.27 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.72 3.80 0.00 3.74 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 8 Q 7.59 3.84 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 9 H 7.88 4.08 0.00 3.13 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.48 3.29 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 0.81 0.00 0.00 0.61 0.00 0.00 11 L 7.98 3.85 0.00 1.74 1.70 0.83 0.95 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 12 E 8.36 4.00 0.00 2.21 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 2.30 2.43 0.00 13 Q 8.02 4.04 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 14 L 8.00 4.10 0.00 1.88 1.83 0.81 0.23 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 15 N 8.40 4.30 0.00 3.13 2.96 0.00 0.00 7.10 6.40 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 16 Q 7.90 3.99 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 17 Q 8.16 4.06 0.00 2.40 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 18 R 7.79 3.72 0.00 1.41 1.76 0.00 2.71 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 1.52 0.00 19 Q 7.82 4.14 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 20 L 7.04 4.65 0.00 1.78 1.60 0.91 1.02 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 21 G 8.28 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.98 3.89 0.00 1.68 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.65 3.73 0.00 1.89 1.77 0.93 1.00 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 24 C 7.48 4.25 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.35 5.07 0.00 2.52 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 26 C 7.79 4.77 0.00 3.00 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 27 T 8.40 4.93 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 28 F 9.60 4.58 0.00 3.13 3.13 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 29 V 8.04 4.37 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 0.85 0.00 0.00 0.88 0.00 0.00 30 V 9.03 4.40 2.51 0.00 0.00 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 1.22 0.00 0.00 31 D 9.74 4.72 0.00 2.82 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 32 G 7.94 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.68 3.93 2.31 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 0.39 0.00 0.00 0.94 0.00 0.00 34 H 8.33 4.98 0.00 2.94 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.73 4.87 0.00 3.20 2.87 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 36 K 8.94 4.74 0.00 1.61 1.70 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.38 7.81 37 A 8.58 4.57 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 9.89 4.86 0.00 3.19 3.28 0.00 5.86 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 9.67 3.54 0.00 1.70 1.37 0.00 1.38 0.00 0.00 1.09 0.00 0.00 2.62 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 1.10 7.81 40 A 8.04 4.03 1.31 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 0.00 0.00 0.00 41 V 7.89 3.50 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 0.37 0.00 0.00 0.78 0.00 0.00 42 L 7.95 4.06 0.00 2.15 1.64 1.05 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.20 4.43 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 44 A 7.96 4.12 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 45 C 7.84 4.43 0.00 3.28 3.13 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 46 S 8.13 4.63 0.00 3.93 4.07 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 0.00 0.00 0.00 0.00 47 E 8.39 3.97 0.00 2.07 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 2.27 2.32 0.00 48 Y 7.51 3.88 0.00 2.57 2.40 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 49 F 7.66 4.08 0.00 3.35 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 50 K 8.20 4.02 0.00 2.05 2.01 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.53 7.81 51 M 8.12 3.97 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 52 L 6.98 3.77 0.00 1.26 1.05 0.66 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.30 4.72 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.42 4.00 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 0.81 0.00 0.00 1.08 0.00 0.00 55 D 7.87 4.60 0.00 2.76 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.53 3.93 0.00 2.25 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 57 K 8.22 3.89 0.00 1.76 2.12 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.31 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.52 7.81 58 D 7.94 4.50 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.11 4.36 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 0.67 0.00 0.00 0.93 0.00 0.00 60 V 8.19 3.64 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 1.00 0.00 0.00 1.01 0.00 0.00 61 H 8.47 4.61 0.00 3.21 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.05 4.48 0.00 1.60 1.53 0.20 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.66 4.56 0.00 2.67 2.60 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 64 I 8.15 4.04 1.74 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 1.39 0.97 0.37 0.00 0.00 65 S 7.93 4.16 0.00 3.84 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 0.00 66 N 8.03 4.78 0.00 2.77 2.79 0.00 0.00 7.02 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 67 A 8.22 4.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.39 4.13 1.24 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 69 G 8.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.85 4.15 0.00 1.84 1.77 1.20 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.26 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 72 Q 8.00 3.94 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 73 V 7.87 3.70 2.39 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 1.18 0.00 0.00 1.01 0.00 0.00 74 L 7.86 3.73 0.00 1.32 1.44 0.44 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.67 3.80 0.00 2.23 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 2.25 2.44 0.00 76 F 8.09 4.20 0.00 3.22 3.22 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 77 M 7.75 3.92 0.00 1.87 2.35 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.72 0.00 78 Y 7.47 4.37 0.00 2.74 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 79 T 7.40 4.36 4.19 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 0.00 0.00 0.00 1.29 0.00 0.00 80 A 7.92 2.58 1.05 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 0.00 0.00 81 K 7.58 4.58 0.00 1.80 1.72 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 82 L 8.66 4.89 0.00 1.86 1.64 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.48 4.64 0.00 3.91 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 84 L 7.83 4.84 0.00 1.63 1.58 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 S 9.46 4.72 0.00 3.90 3.90 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 86 P 0.00 4.27 0.00 2.04 2.18 0.00 3.68 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 2.03 2.16 0.00 87 E 8.20 4.15 0.00 2.12 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 0.00 2.28 2.36 0.00 88 N 8.02 4.78 0.00 2.93 3.07 0.00 0.00 6.53 6.99 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 89 V 7.66 3.55 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 1.03 0.00 0.00 1.01 0.00 0.00 90 D 7.98 4.32 0.00 2.71 2.68 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 0.00 0.00 0.00 0.00 91 D 7.98 4.30 0.00 2.81 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 92 V 7.78 3.57 2.05 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 0.93 0.00 0.00 1.04 0.00 0.00 93 L 8.01 3.81 0.00 1.93 1.73 0.71 0.90 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 94 A 8.23 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.68 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 0.85 0.00 0.00 0.93 0.00 0.00 96 A 8.08 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.21 3.78 4.43 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 1.21 0.00 0.00 98 F 7.95 3.99 0.00 2.92 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 99 L 8.25 3.81 0.00 1.89 1.63 1.18 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.34 3.40 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 101 M 7.90 4.40 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.79 0.00 102 Q 8.53 3.97 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 103 D 8.18 4.43 0.00 2.93 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 0.00 104 I 7.40 3.40 1.61 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 -0.36 0.68 0.00 0.00 105 I 7.50 3.63 2.01 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 1.55 0.78 0.98 0.00 0.00 106 T 8.19 3.98 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 0.00 107 A 7.72 3.95 1.40 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 0.00 0.00 108 C 8.35 4.06 0.00 2.98 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 0.00 109 H 8.43 4.17 0.00 3.24 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.22 4.01 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 0.00 111 L 7.80 4.00 0.00 1.87 1.74 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.50 4.12 0.00 1.99 1.86 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.53 7.81 113 S 8.02 4.17 0.00 4.02 3.95 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 0.00 114 L 7.63 4.13 0.00 1.81 1.73 0.93 0.76 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 0.00 115 A 7.61 4.41 1.25 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 * Residues marked with a * may have inaccurate shift predictions.