NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.3950 8.0327 110.9471 61.3160 70.4548 174.3770 7 Y 3.8431 8.5949 123.1079 60.5534 38.6166 176.7006 8 N 4.3395 9.0538 118.2707 56.3413 39.1545 176.5922 9 N 4.2559 8.1080 117.8305 56.1921 38.6628 177.6573 10 V 3.5519 7.7820 119.7038 65.9213 31.5438 177.8726 11 F 3.8459 8.3660 120.7085 61.2009 39.1678 176.7944 12 D 4.1833 8.1328 118.5730 57.6126 40.3362 178.5795 13 H 4.2121 7.6877 115.1113 58.7155 28.7738 177.4220 14 A 3.9683 7.5882 121.5664 55.1631 18.4966 178.6415 15 Y 3.7620 7.6689 118.4369 60.4272 38.7999 178.7125 16 E 4.1222 8.0864 119.6934 56.2375 29.7623 178.2320 *18 L 4.0119 7.9480 120.6937 54.4575 44.1434 178.5104 19 K 3.6291 7.7467 117.8663 59.4355 31.8195 179.0204 20 E 3.3338 7.7686 118.4471 59.4088 29.5013 179.1477 21 N 4.1627 7.7822 115.7675 56.2986 38.5182 177.3609 22 I 3.3913 7.6026 121.3628 64.1656 37.0124 178.4891 23 R 3.4049 7.1390 119.1356 59.5422 29.7018 178.1609 24 Y 4.4464 7.5386 115.6231 60.3227 37.8462 176.8489 25 D 4.7127 7.6024 116.2551 52.9576 41.9520 175.8567 26 D 4.2696 7.2876 117.1684 53.9358 39.8416 173.7643 27 I 4.1281 7.3867 119.4675 61.0560 38.2916 176.9267 28 R 4.7064 8.5708 121.5275 55.5595 32.4184 174.9890 29 D 4.9142 7.7343 117.3492 52.0650 44.5976 176.1437 30 T 4.0855 8.6324 115.4446 64.5994 68.8736 174.9142 31 D 4.7655 8.5568 119.8544 55.2270 41.2662 175.8028 32 D 5.0205 8.2206 116.3713 54.6440 41.9384 176.9735 33 L 4.3468 7.9207 120.3440 55.4623 42.1940 177.8141 34 H 4.1822 8.4862 118.7283 59.9409 29.4449 176.5205 35 D 4.4019 8.1377 118.1670 57.1792 40.8020 178.1576 36 A 4.0531 7.8042 120.1745 55.0234 18.6101 179.3205 37 I 3.5552 7.4642 118.2450 64.5551 37.1308 179.5330 38 H 4.3060 7.8460 115.5843 55.8194 28.3999 177.5408 *40 A 4.1048 8.0252 124.6565 52.2466 20.6923 179.6360 41 A 3.8653 8.0225 117.7717 55.4514 18.0471 179.3847 42 D 4.4954 8.0092 115.1018 57.7126 41.4672 177.9846 43 N 4.4762 8.1998 114.5955 55.1997 38.7203 176.1024 44 A 4.3897 7.3652 120.5576 51.8927 20.1569 177.9472 45 V 3.7050 7.0923 111.0943 60.6575 32.1704 174.6378 46 P 4.4446 0.0000 0.0000 63.2119 32.0676 175.6688 47 H 4.6059 8.4285 115.9776 57.8096 30.1199 176.4638 48 Y 4.5647 7.5246 116.8092 57.6745 39.5572 175.9565 49 Y 4.1160 9.1750 121.7600 61.5756 38.0800 179.1925 50 A 4.3179 8.2757 120.8753 55.3928 18.5594 179.2708 51 D 4.4711 8.2600 117.0266 57.3012 40.8075 178.8579 52 I 3.7045 7.6213 119.7243 64.4850 37.1909 178.1344 53 F 4.5638 8.0560 117.5918 60.7269 38.7720 177.4168 54 S 4.3861 8.1203 112.0022 61.0403 62.4476 176.7683 55 V 3.8412 7.9076 119.6776 63.1577 31.1316 177.2347 *57 A 4.2844 8.0337 120.6165 50.9349 20.2711 177.4786 58 S 4.7170 7.6008 110.3827 55.8974 65.2009 173.6128 59 E 3.9501 8.4258 118.8895 57.5198 29.5211 177.0234 60 G 3.9708 9.3299 109.6791 45.2871 0.0000 173.3210 61 I 4.1240 7.1058 118.8769 59.4346 40.8004 173.8072 62 D 4.7827 8.1594 126.9715 52.3989 42.8837 176.1871 63 L 4.0434 8.1534 121.2282 57.3722 42.3838 176.9248 64 E 4.3320 7.8562 117.6825 55.8438 30.2084 176.2763 65 F 4.6129 8.7517 121.3922 57.1051 40.1106 175.6564 66 E 4.0482 9.3057 125.9038 58.4222 29.8890 176.4052 67 D 4.9036 8.6606 119.8118 52.2652 42.6443 176.5332 68 S 4.1154 8.8090 123.3847 60.7642 63.0990 175.9910 69 G 3.6908 8.4261 109.0513 47.6573 0.0000 174.4954 70 L 4.3410 7.5682 122.3294 52.3713 40.1273 173.6660 *72 P 3.9793 0.0000 0.0000 62.2480 32.6651 177.5523 73 D 4.5025 8.4195 121.2048 53.9332 39.9190 174.8108 74 T 4.6266 7.6621 118.2044 60.6103 70.2598 173.7438 75 K 4.1288 8.4566 124.4571 57.9123 32.7437 177.3545 76 D 4.5354 7.8776 119.2433 53.4780 39.7599 176.7656 77 V 3.5919 8.5027 124.8102 66.2042 31.4842 177.4389 78 I 3.4162 7.5642 117.4599 63.9056 37.6875 177.9291 79 R 3.9346 7.7719 118.8448 58.8711 29.8544 178.9650 80 I 3.8053 7.6682 119.2776 64.4385 37.2849 178.2346 81 L 3.9718 7.8820 119.8026 57.8355 41.3728 179.4006 82 Q 3.9343 8.1842 119.2557 59.1792 28.9648 178.1983 83 A 4.0946 8.3053 121.8390 55.0707 18.2919 179.6248 84 R 3.3297 8.0226 117.5430 59.1830 29.9595 178.8086 85 I 3.7438 7.7208 119.6222 64.5093 37.1589 177.5658 86 Y 4.0776 8.2692 120.4701 60.7824 38.5438 177.9127 87 E 3.9810 8.6052 120.1257 59.4787 29.7535 178.5368 88 Q 3.9397 8.3391 119.7817 59.0287 28.9651 178.1601 89 L 4.2553 8.3999 120.6462 58.1689 41.7226 179.6602 90 T 3.7088 7.7585 109.6529 64.6780 68.7374 176.6447 91 I 3.8676 8.0547 122.7719 64.4701 36.9927 178.2468 92 D 4.4721 8.3849 118.6047 57.2495 40.8756 178.5800 93 L 4.3442 8.4655 119.8903 57.6620 41.7320 179.4755 94 W 4.4070 8.4080 118.9335 59.9178 28.7461 178.3908 95 E 4.2124 8.2656 117.1048 58.6094 29.0907 177.9469 96 D 4.8492 8.0393 117.2447 53.9745 41.2366 177.9724 97 A 3.9490 7.8344 123.1572 55.4327 18.4262 179.8347 98 E 3.9728 8.2499 116.3579 59.6780 29.6203 179.1738 99 D 4.3981 8.1343 118.3274 57.4923 40.9548 178.8026 100 L 3.9795 8.1942 119.5755 57.7795 41.5842 179.5988 101 L 4.0997 8.1240 119.0050 57.7338 41.4246 179.3589 102 N 4.3271 8.4371 116.6570 56.3253 38.3026 176.9821 103 E 3.9123 8.0863 119.4584 59.3404 29.5215 178.0384 104 Y 4.2440 8.0257 119.4659 60.7533 38.7246 177.8413 105 L 3.6640 7.5329 118.3790 57.7188 42.0289 178.7643 106 E 4.2453 8.2883 116.2116 56.9437 29.2629 177.2842 107 E 4.2872 7.5096 118.6623 55.6601 29.9700 175.8848 108 V 4.5475 6.6049 109.0302 60.3580 35.8650 174.2508 109 E 4.6005 8.2474 120.8664 55.1754 32.4880 174.6478 110 E 4.1597 8.7105 125.0684 56.4243 29.7279 175.7537 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 6 T 8.03 4.39 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 1.24 0.00 0.00 7 Y 8.59 3.84 0.00 3.16 3.23 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 8 N 9.05 4.34 0.00 2.79 2.86 0.00 0.00 7.14 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 9 N 8.11 4.26 0.00 2.88 2.77 0.00 0.00 6.61 7.60 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 10 V 7.78 3.55 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 1.00 0.00 0.00 0.98 0.00 0.00 11 F 8.37 3.85 0.00 2.53 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 12 D 8.13 4.18 0.00 2.72 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 13 H 7.69 4.21 0.00 3.24 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.59 3.97 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 15 Y 7.67 3.76 0.00 2.13 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 16 E 8.09 4.12 0.00 2.18 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 0.00 2.31 2.51 0.00 *18 L 7.95 4.01 0.00 1.60 1.51 0.66 0.57 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 19 K 7.75 3.63 0.00 1.87 1.66 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.16 1.04 7.81 20 E 7.77 3.33 0.00 1.75 1.30 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 2.15 2.44 0.00 21 N 7.78 4.16 0.00 2.68 2.75 0.00 0.00 7.07 7.15 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 22 I 7.60 3.39 1.68 0.00 0.00 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 1.19 0.48 0.43 0.00 0.00 23 R 7.14 3.40 0.00 1.61 1.66 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 24 Y 7.54 4.45 0.00 2.89 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 7.60 4.71 0.00 2.62 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 26 D 7.29 4.27 0.00 2.75 2.66 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 27 I 7.39 4.13 1.71 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 1.23 0.53 0.92 0.00 0.00 28 R 8.57 4.71 0.00 1.80 1.97 0.00 3.20 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 1.81 0.00 29 D 7.73 4.91 0.00 2.72 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 30 T 8.63 4.09 4.59 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 1.37 0.00 0.00 31 D 8.56 4.77 0.00 2.93 2.76 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 32 D 8.22 5.02 0.00 2.87 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 33 L 7.92 4.35 0.00 1.93 1.21 0.77 0.54 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 34 H 8.49 4.18 0.00 3.48 3.44 0.00 5.67 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 35 D 8.14 4.40 0.00 2.71 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 36 A 7.80 4.05 1.15 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 0.00 0.00 37 I 7.46 3.56 1.41 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.10 0.36 0.00 0.00 38 H 7.85 4.31 0.00 3.15 3.41 0.00 5.65 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 *40 A 8.03 4.10 1.26 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 0.00 0.00 0.00 41 A 8.02 3.87 0.94 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 42 D 8.01 4.50 0.00 3.07 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 43 N 8.20 4.48 0.00 2.70 2.84 0.00 0.00 6.77 7.35 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 44 A 7.37 4.39 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 45 V 7.09 3.71 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 0.92 0.00 0.00 0.98 0.00 0.00 46 P 0.00 4.44 0.00 2.20 2.08 0.00 3.76 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 2.00 2.02 0.00 47 H 8.43 4.61 0.00 2.77 3.12 0.00 5.70 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 48 Y 7.52 4.56 0.00 3.25 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 49 Y 9.17 4.12 0.00 3.01 2.99 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 50 A 8.28 4.32 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 51 D 8.26 4.47 0.00 2.96 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 I 7.62 3.70 1.71 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 1.45 0.53 0.68 0.00 0.00 53 F 8.06 4.56 0.00 3.20 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 54 S 8.12 4.39 0.00 4.05 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 55 V 7.91 3.84 2.36 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 1.15 0.00 0.00 1.07 0.00 0.00 *57 A 8.03 4.28 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 58 S 7.60 4.72 0.00 4.07 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 E 8.43 3.95 0.00 2.10 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 2.33 2.28 0.00 60 G 9.33 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 61 I 7.11 4.12 0.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.77 0.00 0.00 62 D 8.16 4.78 0.00 2.61 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 63 L 8.15 4.04 0.00 1.57 1.68 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.86 4.33 0.00 1.97 1.90 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 2.33 2.42 0.00 65 F 8.75 4.61 0.00 2.91 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 66 E 9.31 4.05 0.00 1.96 2.24 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 2.35 2.32 0.00 67 D 8.66 4.90 0.00 2.72 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 68 S 8.81 4.12 0.00 3.87 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 69 G 8.43 3.69 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 0.00 0.00 0.00 70 L 7.57 4.34 0.00 1.86 1.85 1.14 1.13 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 *72 P 0.00 3.98 0.00 2.16 2.05 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 73 D 8.42 4.50 0.00 2.61 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 74 T 7.66 4.63 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 1.24 0.00 0.00 75 K 8.46 4.13 0.00 1.79 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 76 D 7.88 4.54 0.00 2.81 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 77 V 8.50 3.59 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 1.11 0.00 0.00 0.97 0.00 0.00 78 I 7.56 3.42 1.17 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.47 0.48 0.00 0.00 79 R 7.77 3.93 0.00 1.96 1.93 0.00 3.31 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 80 I 7.67 3.81 2.11 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 1.66 0.68 1.07 0.00 0.00 81 L 7.88 3.97 0.00 1.69 1.64 0.95 0.82 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 82 Q 8.18 3.93 0.00 2.06 2.06 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 2.36 2.38 0.00 83 A 8.31 4.09 1.60 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 0.00 0.00 84 R 8.02 3.33 0.00 1.50 1.93 0.00 2.21 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.41 0.00 85 I 7.72 3.74 2.09 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 1.49 0.73 1.06 0.00 0.00 86 Y 8.27 4.08 0.00 3.09 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 87 E 8.61 3.98 0.00 2.39 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 2.39 2.48 0.00 88 Q 8.34 3.94 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 1.75 2.41 0.00 89 L 8.40 4.26 0.00 1.80 1.68 0.92 0.86 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 90 T 7.76 3.71 4.16 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 0.00 0.00 0.00 0.61 0.00 0.00 91 I 8.05 3.87 2.04 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 1.60 1.15 0.95 0.00 0.00 92 D 8.38 4.47 0.00 2.83 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 93 L 8.47 4.34 0.00 1.55 1.53 0.76 0.72 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 94 W 8.41 4.41 0.00 3.64 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 95 E 8.27 4.21 0.00 2.19 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 2.41 2.59 0.00 96 D 8.04 4.85 0.00 3.02 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 97 A 7.83 3.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.25 3.97 0.00 2.05 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 2.49 2.42 0.00 99 D 8.13 4.40 0.00 2.94 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 0.00 100 L 8.19 3.98 0.00 1.57 1.56 0.45 0.54 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 0.00 101 L 8.12 4.10 0.00 1.87 1.77 0.96 0.57 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 0.00 102 N 8.44 4.33 0.00 2.89 3.00 0.00 0.00 6.62 7.28 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 0.00 103 E 8.09 3.91 0.00 2.09 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 0.00 2.35 2.35 0.00 104 Y 8.03 4.24 0.00 3.06 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 0.00 105 L 7.53 3.66 0.00 1.76 1.64 0.95 1.02 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 0.00 106 E 8.29 4.25 0.00 2.04 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 0.00 2.30 2.37 0.00 107 E 7.51 4.29 0.00 2.07 1.86 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 2.29 2.34 0.00 108 V 6.60 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 0.67 0.00 0.00 0.85 0.00 0.00 109 E 8.25 4.60 0.00 1.85 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 2.18 2.27 0.00 110 E 8.71 4.16 0.00 1.95 1.79 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 2.25 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.