NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6388 8.2233 120.3248 53.3524 40.3736 176.7694 5 L 4.3883 9.1061 116.3553 54.9579 41.8683 176.1097 6 S 4.3304 7.9991 115.7924 61.4596 64.1189 175.0666 7 G 4.0084 7.7695 108.3307 45.2411 0.0000 172.7393 8 T 4.0653 8.4432 116.2985 63.6766 69.2452 174.1543 9 W 5.1315 8.4764 124.7323 55.5219 32.1465 174.9241 10 Y 5.1143 9.2700 120.5940 56.6342 40.5159 175.2168 11 V 5.0799 8.8913 117.1960 59.6590 36.5455 174.4101 12 L 5.3660 8.5271 120.0202 53.9145 44.4955 175.7621 13 E 5.0452 8.6763 120.8543 56.8239 33.0719 172.4229 14 G 3.9263 9.2020 114.2812 45.2518 0.0000 175.7466 15 D 4.5573 6.0500 120.8081 53.0876 42.0717 174.0320 16 P 4.5717 0.0000 0.0000 64.2785 31.5387 177.3621 17 G 3.8069 8.8407 112.0819 45.1088 0.0000 172.9136 18 E 4.3207 8.1580 121.7689 55.4421 28.8863 175.2265 19 H 5.6692 8.4422 123.2901 54.4004 29.3834 173.1931 20 L 3.5090 7.9820 125.7684 55.1696 39.2417 171.9643 21 V 4.4738 8.0029 122.4845 60.8245 33.3325 174.3860 22 V 4.2912 8.8199 128.3530 61.2295 33.6381 173.9533 23 E 4.9692 8.9482 128.5279 54.3367 31.1548 173.9409 24 A 4.5898 8.1982 128.5486 50.8250 21.6609 177.0298 25 L 3.5273 8.4676 125.0473 54.6972 41.4111 173.5850 26 G 4.0229 8.3820 101.7763 45.5174 0.0000 173.9569 27 E 4.4496 7.8445 118.8829 54.2201 31.1535 173.5459 28 R 4.9795 8.5279 125.5373 55.0401 31.9712 175.4991 29 L 5.4046 9.0089 123.4026 51.9479 46.4222 175.4419 30 S 4.8818 8.4159 114.8994 56.5421 66.6547 172.2218 31 G 3.9869 8.4648 106.6680 44.0613 0.0000 172.1276 32 I 4.7277 7.3504 115.0081 58.4429 41.2853 174.1478 33 W 5.2557 9.4151 123.1807 55.2782 32.9672 176.1330 34 T 4.7232 9.8606 111.9883 61.7976 68.8822 175.2645 35 S 4.4062 7.6132 116.8117 55.9368 67.2485 174.6982 36 R 3.1945 7.3886 123.6709 59.1156 29.9044 178.6553 37 E 3.8292 7.8255 117.0834 59.3040 29.4861 178.7959 38 L 3.8435 7.7199 120.7799 57.7580 42.1349 178.8106 39 A 2.5800 7.3180 120.5182 54.7186 18.1567 179.5126 40 E 3.7844 8.3354 117.2590 59.2591 29.2419 179.4401 41 A 3.9432 8.0421 120.6804 54.9306 18.8235 179.1596 42 F 4.2561 8.1539 119.2681 61.4434 39.5203 177.1629 43 L 3.7976 8.1179 119.9121 57.9855 41.6278 178.7330 44 A 4.0039 8.0493 119.8902 54.3384 18.2545 178.2412 45 H 4.6247 7.4486 112.2775 55.3730 30.4834 175.1719 46 H 4.6372 7.6467 117.0564 53.8471 29.3493 170.3193 47 P 4.4155 0.0000 0.0000 63.0496 33.0445 176.3773 48 H 4.2320 8.8074 111.5277 56.8174 25.5415 175.6161 49 L 4.5771 7.9069 116.2676 53.7302 42.6639 175.9169 50 G 3.6803 7.7336 110.3068 45.6286 0.0000 172.6844 *52 R 4.2265 7.4530 119.0978 56.1680 31.7170 175.6980 53 V 4.2902 8.3029 120.4595 62.9531 32.6978 175.1227 54 S 4.7924 9.3081 121.4841 56.4910 65.6400 172.3143 55 A 4.5477 8.7645 128.8584 51.2320 19.9903 176.9943 56 L 4.5236 8.7552 123.3529 52.8328 42.4947 176.9611 57 E 3.9001 8.5153 121.9884 58.0628 30.8026 178.7119 58 S 4.4217 7.5222 113.8183 57.4719 65.7414 175.2197 59 R 3.7225 8.2449 121.2677 58.8673 29.8556 179.1342 60 A 3.9038 7.7915 120.2853 55.1175 18.4051 179.4166 61 L 3.8762 7.7277 117.3050 57.9766 41.7457 179.8526 62 K 3.6980 7.7386 118.2619 59.3669 31.7427 179.0099 63 E 3.9034 8.5244 119.5739 59.2895 29.7468 178.6353 64 A 3.9911 8.5440 121.1752 55.2194 18.4439 178.9695 65 Y 3.9863 8.3440 118.1458 61.0147 38.8939 178.3533 66 L 3.9713 8.2778 119.8609 57.9469 41.5017 179.8426 67 R 3.8926 8.2215 117.1904 58.8824 29.9901 178.6375 68 A 4.1177 7.5047 119.8590 54.8386 18.6004 179.3878 69 L 4.1100 7.5924 117.5462 57.6389 41.7798 181.1878 70 G 3.9463 8.0464 104.7588 44.9076 0.0000 174.3988 *72 L 4.0690 7.6852 117.7714 53.4457 43.1044 176.8051 73 Q 3.4059 7.7455 115.3102 56.8595 26.6430 173.7751 74 V 4.0544 7.8233 118.3054 61.9508 31.7774 175.1544 75 E 4.5595 8.2157 126.3847 56.9330 30.9556 175.6262 76 A 5.0689 7.6171 120.0697 49.8897 23.2502 175.7284 77 V 5.0295 8.3600 115.0373 59.7597 35.8355 177.6092 *79 V 3.6314 8.4861 128.9170 64.8496 32.3819 174.9919 80 D 4.2190 8.0647 127.8720 55.4747 38.5562 173.5048 81 Y 4.1295 6.9858 118.5079 57.4323 40.0812 174.6215 82 R 4.2416 7.8186 126.1796 53.7504 31.1988 173.7577 83 P 4.3343 0.0000 0.0000 64.8872 31.4389 176.4669 84 G 3.9657 8.9119 111.2322 45.6081 0.0000 173.1652 85 T 4.3478 7.4732 115.9316 63.0168 69.3280 174.9582 86 H 4.4474 8.8276 121.4316 58.2055 29.2413 176.2542 87 R 4.5434 7.8406 118.2630 54.7881 32.7336 173.5105 88 A 4.8805 8.3596 126.9594 49.8914 22.2241 175.2252 89 Q 4.2161 8.4051 118.4954 55.9090 29.6170 176.0037 90 V 4.5482 8.3213 122.2356 60.9566 34.1295 174.2711 91 A 4.7255 8.8513 129.7046 49.7081 21.6683 175.9183 92 R 4.2979 8.5876 122.0275 56.1855 31.0533 178.1496 93 V 3.6534 8.9874 122.3431 65.9109 31.2077 178.7211 94 K 4.0181 7.9144 117.5624 59.9673 33.0209 178.4702 95 D 4.5100 8.0469 119.6194 57.1738 40.5458 178.6373 96 L 4.1500 7.9720 119.5129 57.5971 41.5787 178.7494 97 L 4.2546 8.2796 118.7973 56.4527 41.7889 178.0702 98 E 4.0285 7.7471 118.1388 59.9750 29.9564 177.1029 99 E 3.9869 8.3324 116.6805 59.7943 29.6147 178.6659 100 V 3.2340 8.0106 117.4560 66.7497 31.9317 176.3833 101 R 4.0464 6.7393 123.8736 56.6670 29.8012 176.2934 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 4 D 8.22 4.64 0.00 2.86 2.21 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 5 L 9.11 4.39 0.00 1.86 2.08 0.99 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.00 4.33 0.00 3.99 3.96 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 7 G 7.77 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 0.00 0.00 0.00 8 T 8.44 4.07 4.22 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 0.61 0.00 0.00 9 W 8.48 5.13 0.00 3.08 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 10 Y 9.27 5.11 0.00 3.16 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.89 5.08 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 0.24 0.00 0.00 0.84 0.00 0.00 12 L 8.53 5.37 0.00 1.91 1.75 1.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.68 5.05 0.00 2.09 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 2.28 2.37 0.00 14 G 9.20 3.93 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 0.00 0.00 0.00 15 D 6.05 4.56 0.00 2.77 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 16 P 0.00 4.57 0.00 2.05 2.02 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 17 G 8.84 3.81 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 0.00 0.00 0.00 18 E 8.16 4.32 0.00 1.98 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 2.27 0.00 19 H 8.44 5.67 0.00 3.27 3.58 0.00 5.94 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.98 3.51 0.00 1.90 1.87 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.00 4.47 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 0.94 0.00 0.00 22 V 8.82 4.29 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 0.93 0.00 0.00 0.94 0.00 0.00 23 E 8.95 4.97 0.00 1.97 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 0.00 2.16 2.26 0.00 24 A 8.20 4.59 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.47 3.53 0.00 1.77 1.75 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.38 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 27 E 7.84 4.45 0.00 2.01 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 2.16 2.23 0.00 28 R 8.53 4.98 0.00 1.91 1.81 0.00 3.11 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 29 L 9.01 5.40 0.00 1.43 1.40 0.85 0.49 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 30 S 8.42 4.88 0.00 3.83 3.68 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 31 G 8.46 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.35 4.73 1.34 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.48 0.61 0.00 0.00 33 W 9.42 5.26 0.00 3.51 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 9.86 4.72 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 1.35 0.00 0.00 35 S 7.61 4.41 0.00 4.04 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 36 R 7.39 3.19 0.00 1.39 1.65 0.00 3.14 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 37 E 7.83 3.83 0.00 2.13 2.12 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 2.26 2.25 0.00 38 L 7.72 3.84 0.00 1.81 1.82 1.23 0.88 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 39 A 7.32 2.58 1.08 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 0.00 0.00 40 E 8.34 3.78 0.00 2.11 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 2.26 2.40 0.00 41 A 8.04 3.94 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 42 F 8.15 4.26 0.00 3.06 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 43 L 8.12 3.80 0.00 1.75 1.70 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.05 4.00 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 45 H 7.45 4.62 0.00 3.02 3.15 0.00 5.81 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.65 4.64 0.00 2.53 2.99 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.42 0.00 1.88 1.93 0.00 3.68 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 48 H 8.81 4.23 0.00 3.32 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.91 4.58 0.00 1.64 1.70 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.73 3.68 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 0.00 0.00 0.00 *52 R 7.45 4.23 0.00 1.96 2.15 0.00 2.99 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 53 V 8.30 4.29 2.12 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 0.88 0.00 0.00 0.88 0.00 0.00 54 S 9.31 4.79 0.00 3.94 3.72 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 55 A 8.76 4.55 1.19 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 0.00 0.00 0.00 56 L 8.76 4.52 0.00 1.38 1.41 0.72 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.52 3.90 0.00 1.99 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 2.19 2.19 0.00 58 S 7.52 4.42 0.00 3.99 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 59 R 8.24 3.72 0.00 1.83 1.89 0.00 3.09 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 60 A 7.79 3.90 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 61 L 7.73 3.88 0.00 1.76 1.67 0.87 1.17 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 62 K 7.74 3.70 0.00 1.43 0.75 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 1.13 7.81 63 E 8.52 3.90 0.00 1.99 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 0.00 2.30 2.32 0.00 64 A 8.54 3.99 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 65 Y 8.34 3.99 0.00 3.17 3.31 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 66 L 8.28 3.97 0.00 1.97 1.77 1.18 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.22 3.89 0.00 1.90 1.98 0.00 3.16 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 68 A 7.50 4.12 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 69 L 7.59 4.11 0.00 1.79 1.60 0.77 0.56 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 70 G 8.05 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 0.00 0.00 0.00 *72 L 7.69 4.07 0.00 1.76 1.72 0.92 0.97 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 73 Q 7.75 3.41 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 74 V 7.82 4.05 2.12 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 0.79 0.00 0.00 0.89 0.00 0.00 75 E 8.22 4.56 0.00 2.02 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 2.24 2.23 0.00 76 A 7.62 5.07 1.14 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 0.00 0.00 77 V 8.36 5.03 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 0.49 0.00 0.00 0.80 0.00 0.00 *79 V 8.49 3.63 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 0.59 0.00 0.00 0.68 0.00 0.00 80 D 8.06 4.22 0.00 2.74 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 81 Y 6.99 4.13 0.00 2.74 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 82 R 7.82 4.24 0.00 1.67 1.72 0.00 3.35 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.51 0.00 83 P 0.00 4.33 0.00 1.97 2.10 0.00 3.65 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 2.11 2.46 0.00 84 G 8.91 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 85 T 7.47 4.35 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 86 H 8.83 4.45 0.00 3.12 3.41 0.00 5.88 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 87 R 7.84 4.54 0.00 1.75 1.78 0.00 3.19 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 88 A 8.36 4.88 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 89 Q 8.41 4.22 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 90 V 8.32 4.55 2.04 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 0.74 0.00 0.00 0.88 0.00 0.00 91 A 8.85 4.73 1.09 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 0.00 0.00 92 R 8.59 4.30 0.00 1.99 1.86 0.00 3.24 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 93 V 8.99 3.65 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 1.06 0.00 0.00 0.95 0.00 0.00 94 K 7.91 4.02 0.00 1.95 1.93 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.53 7.81 95 D 8.05 4.51 0.00 2.96 2.77 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 96 L 7.97 4.15 0.00 1.99 1.99 0.74 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.28 4.25 0.00 1.88 1.68 0.95 0.72 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 98 E 7.75 4.03 0.00 2.25 2.19 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 2.30 2.35 0.00 99 E 8.33 3.99 0.00 2.22 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 0.00 2.38 2.64 0.00 100 V 8.01 3.23 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 0.59 0.00 0.00 0.85 0.00 0.00 101 R 6.74 4.05 0.00 2.06 2.05 0.00 3.48 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.