NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0720 8.2548 107.8352 46.1747 0.0000 173.1449 3 K 4.2276 8.8056 119.3668 55.1474 33.9295 171.5488 4 V 4.7023 8.9368 123.1417 61.1475 34.5696 174.0814 5 F 4.9688 9.1860 128.3311 57.0246 40.4163 174.6732 6 L 5.2463 9.1589 127.1071 54.2663 43.1790 175.3720 7 T 5.1549 9.0384 116.2452 59.9531 72.5987 174.0464 8 N 5.6602 9.1594 118.0493 52.0448 37.8499 174.2748 9 A 4.7098 7.6035 119.7201 51.1973 22.1679 175.5398 10 F 4.9760 8.5823 121.5175 56.3021 41.8489 174.7461 11 S 4.2104 7.0740 120.4735 56.0149 65.3842 173.5265 12 I 3.7140 8.1912 127.1240 64.7385 37.3225 177.4267 13 N 4.4641 7.5947 119.3745 52.6550 36.9388 175.8464 *15 L 4.0318 7.6108 116.6476 54.3350 43.0103 177.6865 16 K 4.0584 8.6986 123.8768 59.0179 32.2409 177.0009 17 E 4.6103 7.1762 114.4900 54.6663 33.5999 174.3407 18 F 5.0169 8.2204 117.9478 54.9291 42.9860 173.3466 19 P 4.6874 0.0000 0.0000 63.1007 31.9670 175.3725 20 T 4.7184 8.2132 113.0019 60.6948 70.8635 172.9299 21 T 4.7804 8.3632 120.7468 61.6924 71.8044 173.0616 22 I 4.8382 8.3490 119.0994 59.2510 41.0040 174.6660 23 T 4.2667 8.2208 120.2694 61.6580 71.1154 173.3992 24 I 4.7132 7.8116 125.2568 59.4728 40.1755 174.2639 25 D 5.1483 8.9375 126.2025 52.1218 44.7465 174.5022 26 K 4.6846 8.7372 124.4573 55.9351 33.0841 175.7693 27 L 5.0229 8.5662 127.4441 52.9423 44.4718 176.2191 28 D 5.0152 8.4226 120.9272 51.6140 41.2999 177.1839 29 E 3.1235 8.5914 118.3563 59.4200 29.1590 179.2112 30 E 3.8191 8.0326 118.4339 59.5876 29.7201 178.5172 31 D 4.2970 8.6452 119.0299 56.9305 40.7693 178.4768 32 F 4.0353 8.0259 121.2993 61.5913 39.2831 176.6219 33 C 4.0185 8.2501 116.1687 59.8470 38.8077 176.1806 34 L 3.9874 7.9902 120.6919 57.6772 41.1496 179.7151 35 K 3.8515 7.9865 118.4402 59.1701 31.9111 179.0752 36 L 3.7052 7.6499 120.6575 58.1498 41.8716 178.8257 37 E 3.8456 8.1971 118.6972 59.2978 29.4252 178.9813 38 L 3.8673 8.0827 120.5990 58.4686 42.1510 179.2873 39 R 4.2018 8.1259 117.3502 58.4225 30.0888 179.1246 40 L 3.9165 7.9887 119.4906 57.8579 41.4756 179.0766 41 E 3.9301 8.1905 117.6012 59.2274 29.4399 177.8281 42 D 4.4730 8.0953 115.2401 52.9848 39.9259 177.1740 43 G 3.8678 7.8462 107.8592 46.3438 0.0000 174.3688 44 T 4.2665 8.2084 110.6654 61.9313 70.4922 174.6221 45 L 4.4747 7.8242 125.7312 55.2706 42.8235 176.0348 46 I 4.3756 8.4576 127.5810 59.4569 39.4986 174.1379 47 N 4.9070 8.8625 126.4940 52.6244 39.5233 174.2360 48 A 5.0475 8.7832 127.7707 50.7007 20.7405 175.4581 49 I 4.1456 8.3757 121.2160 61.9871 37.6279 177.2852 50 G 3.7586 8.9399 116.2369 46.5633 0.0000 173.0260 51 H 4.9883 7.7507 117.4620 53.6942 32.5205 174.5355 52 D 4.4475 8.7332 124.4878 57.6053 40.7086 179.3676 53 S 4.1349 7.6277 114.1169 61.8959 62.7912 176.9163 54 T 3.9637 7.8691 117.9108 66.5192 68.3053 176.7053 55 I 3.7578 7.8770 121.7465 64.6725 37.1021 178.2062 56 N 4.3388 8.7594 117.4359 56.1489 38.2906 177.0939 57 L 3.9610 7.9318 121.7592 58.3224 42.1462 179.3204 58 V 3.7304 8.0843 118.0925 66.1100 31.4185 177.7419 59 N 4.5976 8.3751 117.7539 56.0622 38.1534 177.5634 60 T 3.8614 7.9811 116.2799 66.4990 68.6592 176.1992 61 L 4.0975 8.0177 120.9603 58.1088 42.3196 177.6176 62 C 4.7049 8.6504 113.8867 56.2431 41.0129 174.9255 63 G 3.8328 8.2819 108.7578 45.8174 0.0000 173.6572 64 T 4.3478 7.4966 110.4609 60.8767 70.4257 173.9095 65 Q 4.8307 7.9987 117.7619 55.2123 29.5498 176.1714 66 L 4.2217 7.6655 116.0614 54.8337 42.6725 177.3149 67 Q 4.7604 8.1946 120.5456 53.4161 31.3857 175.7661 68 K 4.3931 8.3266 119.8237 57.6993 33.6599 176.0225 69 N 4.8026 8.9598 120.2631 52.8974 42.6586 173.2192 70 R 4.4630 8.6537 126.0019 55.2845 31.3059 176.3681 71 V 4.3498 8.1160 122.6615 61.1963 34.6811 173.4410 72 E 4.1135 8.7156 128.1050 55.2290 29.5922 175.9255 73 V 3.3476 8.1413 127.1411 62.2304 31.8643 174.9497 74 K 4.3813 7.5589 125.1505 54.6254 36.3369 174.4164 *76 N 4.5250 8.1991 116.3351 52.9890 39.4418 175.4466 77 E 3.4675 8.6324 119.2175 58.6912 29.6735 177.4249 78 G 3.9088 7.9829 105.8610 45.8469 0.0000 172.6993 79 D 5.3120 7.7753 119.9916 53.2505 42.8130 175.2381 80 E 5.2296 9.1698 117.4853 54.9254 33.9563 173.8758 81 A 5.4047 9.5634 120.9539 50.2125 22.9775 174.9622 82 L 5.2654 9.3284 121.0028 53.1678 44.3256 175.6315 83 I 5.2814 9.6994 125.2440 59.7126 40.5812 175.0263 84 I 4.8430 8.6299 126.5762 58.3125 41.4602 173.6318 *86 I 4.0962 8.0489 122.4793 61.4441 37.5059 176.1912 87 S 4.3535 8.8527 124.5380 61.4970 62.8915 174.5801 88 Q 4.0749 7.8161 118.6871 55.9490 29.2425 176.2695 89 R 4.1576 8.3334 119.7475 55.2267 29.9389 176.6126 90 L 4.0685 8.3796 123.3502 54.7699 42.3701 177.2408 91 E 4.0838 8.5955 121.7644 56.3603 29.8804 176.6920 92 E 4.4534 8.5905 124.2194 55.9786 28.0693 175.0309 93 G 3.7222 8.4971 119.2546 45.5464 0.0000 170.9200 94 K 3.8653 7.1000 122.3040 56.1202 31.8241 176.4073 95 V 3.7816 8.2906 127.4074 62.5482 31.8309 175.0576 96 L 4.8604 8.5493 127.1175 52.6723 43.2195 177.3266 97 S 4.4922 8.4934 117.9449 57.8315 65.5532 174.9223 98 D 4.4048 8.5358 120.9844 56.9528 40.9505 178.2509 99 K 3.9716 8.0082 120.1779 59.4792 32.0208 178.4470 100 E 3.9917 8.1220 118.9136 59.5203 29.1683 179.4294 101 I 3.7846 7.5896 118.7848 64.3365 37.4783 178.3612 102 K 4.4024 8.2011 118.7172 58.6236 31.8157 178.9045 103 D 4.6630 7.7766 117.1489 55.1705 39.8127 177.2498 *105 Y 4.5861 7.7475 122.2871 57.7227 40.3958 177.2395 106 R 3.7248 8.0836 118.2282 59.2793 30.1916 177.4178 107 Q 3.9987 8.5934 115.6462 56.8327 28.8263 176.9970 108 G 3.7992 7.8740 106.1247 45.7142 0.0000 174.7185 109 K 4.3527 7.7175 119.1040 56.5802 32.6822 176.3382 110 I 4.7297 7.5352 118.9213 59.4013 39.9992 175.1114 111 S 4.5468 8.1258 120.6601 56.6572 67.7026 172.7548 112 F 5.1563 7.9698 118.9663 56.1277 42.8633 173.6834 113 Y 5.3900 9.3372 118.5976 56.5598 43.0640 173.5770 114 E 5.3160 9.4106 121.7270 54.5647 33.4099 174.6015 115 V 4.9528 9.1686 126.4038 60.8588 34.6640 174.2836 116 W 5.6422 8.5671 123.7270 55.1757 32.4366 173.3918 117 H 4.9121 9.0731 117.4550 55.1060 29.2162 175.0531 118 H 4.1352 8.8951 126.3036 57.4786 30.2450 175.5721 *119 H 4.5403 8.7184 121.4684 54.8353 28.5574 169.3893 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 2 G 8.25 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 0.00 0.00 0.00 3 K 8.81 4.23 0.00 1.29 1.18 0.00 1.45 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.57 7.81 4 V 8.94 4.70 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 1.02 0.00 0.00 0.93 0.00 0.00 5 F 9.19 4.97 0.00 3.19 3.02 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 6 L 9.16 5.25 0.00 1.81 1.63 1.14 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 T 9.04 5.15 4.40 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 1.36 0.00 0.00 8 N 9.16 5.66 0.00 2.88 3.03 0.00 0.00 6.13 7.26 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 9 A 7.60 4.71 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 10 F 8.58 4.98 0.00 2.93 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 11 S 7.07 4.21 0.00 3.61 3.40 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 12 I 8.19 3.71 1.80 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 1.45 0.58 0.96 0.00 0.00 13 N 7.59 4.46 0.00 2.64 2.78 0.00 0.00 7.01 7.71 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 *15 L 7.61 4.03 0.00 1.63 1.37 1.11 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.70 4.06 0.00 1.67 1.81 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 17 E 7.18 4.61 0.00 1.76 1.72 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 2.13 2.23 0.00 18 F 8.22 5.02 0.00 2.98 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 19 P 0.00 4.69 0.00 2.24 2.13 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 20 T 8.21 4.72 4.29 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 1.18 0.00 0.00 21 T 8.36 4.78 4.28 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 1.17 0.00 0.00 22 I 8.35 4.84 1.66 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.48 0.71 0.00 0.00 23 T 8.22 4.27 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 0.52 0.00 0.00 24 I 7.81 4.71 1.70 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.25 0.81 0.00 0.00 25 D 8.94 5.15 0.00 2.99 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 26 K 8.74 4.68 0.00 1.91 1.72 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.02 7.81 27 L 8.57 5.02 0.00 1.66 1.63 1.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.42 5.02 0.00 3.05 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 29 E 8.59 3.12 0.00 1.71 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 1.83 1.47 0.00 30 E 8.03 3.82 0.00 1.98 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 2.34 2.36 0.00 31 D 8.65 4.30 0.00 2.85 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 32 F 8.03 4.04 0.00 2.77 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 33 C 8.25 4.02 0.00 2.90 3.19 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 34 L 7.99 3.99 0.00 1.65 1.64 0.88 0.90 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 35 K 7.99 3.85 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.41 7.81 36 L 7.65 3.71 0.00 1.16 1.49 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.20 3.85 0.00 2.09 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 0.00 2.27 2.28 0.00 38 L 8.08 3.87 0.00 1.79 1.78 0.87 0.83 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 39 R 8.13 4.20 0.00 1.77 1.96 0.00 3.27 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 40 L 7.99 3.92 0.00 1.79 1.66 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.19 3.93 0.00 2.11 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 2.31 2.36 0.00 42 D 8.10 4.47 0.00 2.73 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 43 G 7.85 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 0.00 0.00 0.00 44 T 8.21 4.27 4.32 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 1.19 0.00 0.00 45 L 7.82 4.47 0.00 1.60 1.56 0.89 0.88 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 46 I 8.46 4.38 1.42 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.35 1.01 0.00 0.00 47 N 8.86 4.91 0.00 2.74 2.75 0.00 0.00 6.95 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 48 A 8.78 5.05 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 49 I 8.38 4.15 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.02 0.99 0.00 0.00 50 G 8.94 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 51 H 7.75 4.99 0.00 3.18 3.20 0.00 5.63 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 52 D 8.73 4.45 0.00 2.72 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 53 S 7.63 4.13 0.00 3.87 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 54 T 7.87 3.96 4.32 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 1.29 0.00 0.00 55 I 7.88 3.76 2.11 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 1.73 0.98 0.97 0.00 0.00 56 N 8.76 4.34 0.00 2.75 2.89 0.00 0.00 6.71 7.32 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 57 L 7.93 3.96 0.00 1.92 1.91 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.08 3.73 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 1.19 0.00 0.00 1.21 0.00 0.00 59 N 8.38 4.60 0.00 3.02 2.93 0.00 0.00 6.60 7.20 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 60 T 7.98 3.86 4.40 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 1.23 0.00 0.00 61 L 8.02 4.10 0.00 1.77 1.95 0.98 1.26 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 62 C 8.65 4.70 0.00 3.02 3.07 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 63 G 8.28 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 64 T 7.50 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 1.17 0.00 0.00 65 Q 8.00 4.83 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 66 L 7.67 4.22 0.00 1.71 1.63 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.19 4.76 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 68 K 8.33 4.39 0.00 1.79 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 69 N 8.96 4.80 0.00 2.86 2.85 0.00 0.00 7.29 7.25 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 70 R 8.65 4.46 0.00 1.74 1.85 0.00 3.24 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 71 V 8.12 4.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.08 0.00 0.00 72 E 8.72 4.11 0.00 1.96 1.85 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 2.23 2.26 0.00 73 V 8.14 3.35 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 0.01 0.00 0.00 0.87 0.00 0.00 74 K 7.56 4.38 0.00 1.67 1.62 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.34 7.81 *76 N 8.20 4.52 0.00 2.91 2.80 0.00 0.00 6.45 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 77 E 8.63 3.47 0.00 1.83 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 2.28 2.35 0.00 78 G 7.98 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.78 5.31 0.00 2.95 2.91 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 0.00 0.00 0.00 80 E 9.17 5.23 0.00 2.39 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 2.24 2.32 0.00 81 A 9.56 5.40 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 82 L 9.33 5.27 0.00 1.64 1.74 0.81 0.87 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 83 I 9.70 5.28 2.17 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.08 1.14 0.00 0.00 84 I 8.63 4.84 1.87 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 1.09 1.38 1.10 0.00 0.00 *86 I 8.05 4.10 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 0.94 0.00 0.00 87 S 8.85 4.35 0.00 3.80 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 88 Q 7.82 4.07 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.07 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 89 R 8.33 4.16 0.00 1.81 1.92 0.00 3.21 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 90 L 8.38 4.07 0.00 1.63 1.63 0.94 1.00 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 91 E 8.60 4.08 0.00 2.03 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 2.40 2.33 0.00 92 E 8.59 4.45 0.00 1.96 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 2.31 2.25 0.00 93 G 8.50 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 0.00 0.00 0.00 94 K 7.10 3.87 0.00 1.86 1.78 0.00 1.96 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.39 7.81 95 V 8.29 3.78 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 0.87 0.00 0.00 0.99 0.00 0.00 96 L 8.55 4.86 0.00 1.69 1.59 0.94 1.09 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 S 8.49 4.49 0.00 4.06 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 98 D 8.54 4.40 0.00 2.74 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 99 K 8.01 3.97 0.00 1.88 1.80 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.55 7.81 100 E 8.12 3.99 0.00 2.27 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 2.34 2.36 0.00 101 I 7.59 3.78 1.91 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 1.56 0.62 0.97 0.00 0.00 102 K 8.20 4.40 0.00 1.94 1.95 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.70 7.81 103 D 7.78 4.66 0.00 2.94 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 *105 Y 7.75 4.59 0.00 3.07 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 0.00 106 R 8.08 3.72 0.00 1.90 1.99 0.00 3.32 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 107 Q 8.59 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 108 G 7.87 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 0.00 109 K 7.72 4.35 0.00 1.82 1.84 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.39 7.81 110 I 7.54 4.73 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.39 0.00 0.00 111 S 8.13 4.55 0.00 3.72 3.33 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 0.00 112 F 7.97 5.16 0.00 3.04 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 0.00 113 Y 9.34 5.39 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 0.00 114 E 9.41 5.32 0.00 2.24 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 0.00 2.62 2.58 0.00 115 V 9.17 4.95 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 0.36 0.00 0.00 0.58 0.00 0.00 116 W 8.57 5.64 0.00 3.44 3.29 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 0.00 117 H 9.07 4.91 0.00 3.25 3.53 0.00 5.90 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.90 4.14 0.00 3.04 3.26 0.00 5.98 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *119 H 8.72 4.54 0.00 2.72 2.86 0.00 5.92 0.00 0.00 0.00 0.00 6.91 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.