NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 3.7893 8.0427 120.8635 55.8249 42.4323 178.6014 5 T 3.6823 7.6041 114.0431 63.2217 66.9600 172.4173 6 E 4.0338 8.1411 121.2411 59.1066 30.2501 177.9891 7 V 3.8352 7.6815 117.8594 66.2796 31.5407 177.1156 8 E 4.0234 8.5942 119.0254 60.0436 29.3351 178.9669 9 T 4.0054 7.6829 111.5923 65.1230 67.0777 175.8292 10 Y 4.1299 7.9007 117.8855 60.8987 38.2010 177.7554 11 V 3.8365 8.3601 119.6590 66.1868 31.6696 178.1830 12 L 4.0796 8.5438 119.2348 57.4860 41.1953 179.4695 13 S 4.2447 7.8770 113.6877 60.3674 62.9187 175.4511 14 I 4.4100 7.2663 114.9477 59.7251 37.8197 175.0185 15 I 4.3318 7.2995 122.8665 59.4866 37.7075 174.0659 16 P 4.4181 0.0000 0.0000 64.2274 32.0964 177.0467 17 S 3.6554 7.9844 108.5747 61.5399 62.2197 174.0895 18 G 4.2751 8.2652 107.0941 44.5755 0.0000 173.8203 19 P 4.2738 0.0000 0.0000 65.2400 31.5281 177.9892 20 L 4.2229 7.9915 117.4185 57.6312 41.4194 179.3556 21 K 3.9610 7.9914 118.8835 59.4928 32.1557 178.5988 22 A 3.9948 7.9029 120.7983 55.2199 18.3458 179.2933 23 E 3.9174 8.7643 117.5356 59.7403 29.5810 179.8766 24 I 3.9549 8.4218 119.8534 64.2986 37.2696 178.1503 25 A 3.9319 8.2763 121.9602 55.2535 18.2598 179.2447 26 Q 3.8366 8.2507 118.1294 59.6891 29.0796 179.1184 27 R 3.8163 7.9204 118.7953 58.9721 29.9384 179.0036 28 L 4.0572 8.4633 119.3288 57.8123 41.5441 179.4765 29 E 3.6433 7.8922 118.7241 59.2708 29.3821 179.5735 30 S 4.1647 7.9471 114.2300 61.1108 63.1391 176.6726 31 V 3.7503 7.8656 123.2818 65.7454 31.1587 177.9200 32 F 4.2463 8.4611 116.3618 60.8354 38.9613 177.5748 33 A 4.3597 8.2618 117.2550 52.1694 18.2264 177.7553 34 G 3.9193 8.3021 105.5697 46.3979 0.0000 175.4737 35 K 4.0622 8.6004 121.3271 57.8735 32.4905 176.9340 36 N 4.6751 7.8470 118.4187 52.4228 39.3889 174.4590 37 T 4.5470 8.3995 118.8069 61.9463 68.6446 174.7883 38 D 4.6252 7.9131 121.6196 53.1825 38.9226 175.6255 39 L 3.9418 8.0070 125.5613 57.7050 42.3665 177.9387 40 E 4.0087 8.1120 117.6233 59.4989 29.6215 178.7822 41 A 4.0077 8.2709 120.2568 55.1529 18.3269 179.3479 42 L 3.8257 7.8691 118.5961 58.6184 42.2348 179.0764 43 M 4.3335 8.7304 119.2497 58.6227 31.7985 178.6541 44 E 3.9837 8.5099 118.8012 58.9464 29.3767 179.1342 45 W 4.0908 8.1456 127.4505 60.4241 31.1277 177.2926 46 L 3.9002 8.7294 120.5874 58.2064 41.3628 178.7471 47 K 3.0546 8.0798 118.6625 58.8202 31.8741 177.6771 48 T 4.2424 6.8539 107.3230 60.4969 69.3970 174.7522 49 R 3.7626 6.9719 121.4193 55.4405 30.6183 175.1041 50 P 4.4523 0.0000 0.0000 62.7268 33.2842 175.3376 51 I 3.6339 8.5115 122.5566 62.1552 35.2158 174.7101 52 L 4.0571 7.6336 118.5548 54.4898 42.0824 178.0384 53 S 4.3303 8.5218 118.5498 57.6629 65.0325 173.4162 54 P 4.2662 0.0000 0.0000 65.8702 31.1267 178.6121 55 L 3.9189 7.9081 118.4596 58.6191 41.9574 179.1183 56 T 3.9324 7.6812 115.4542 66.4235 68.3831 176.8977 57 K 4.1498 8.3283 120.6850 59.5416 32.1092 179.6246 58 G 3.5487 8.3180 105.9992 47.6919 0.0000 175.9283 59 I 3.7000 7.8488 122.1217 64.1243 37.0998 178.5403 60 L 3.9067 8.2051 120.0967 57.6379 41.3725 179.6383 61 G 3.8287 8.7057 106.0706 47.8189 0.0000 175.4223 62 F 4.0184 8.2348 122.9039 61.0144 39.4387 177.1442 63 V 3.4753 8.0624 118.0815 66.1901 31.0226 177.9953 64 F 4.7123 8.0715 117.6058 60.6525 38.9034 177.4857 65 T 4.0687 8.1260 114.2076 66.4081 68.2159 176.2098 66 L 3.8979 7.4375 121.8675 58.2374 42.3635 178.7972 67 T 4.1309 8.3985 109.4547 63.1273 69.2132 174.3279 *77 R 4.2040 7.4272 120.6439 55.7715 31.5557 176.2200 78 R 3.9811 8.7801 122.5762 59.5006 30.0762 178.7175 79 F 4.2895 8.4379 113.9510 59.5329 37.7747 177.6377 80 V 3.1293 6.7170 118.5003 65.6807 31.4216 177.6496 81 Q 4.0091 7.9487 117.7156 59.3238 28.3909 178.9508 82 N 4.3622 8.3142 116.1232 56.0074 38.6172 177.1614 83 A 4.1241 7.5293 121.3002 55.2761 18.6174 179.4280 84 L 3.9306 7.7700 116.3110 56.9001 42.0613 178.1216 85 N 4.3390 7.3824 115.5452 53.0594 38.8169 174.0775 *89 D 4.5784 8.0215 120.6642 53.9085 43.6754 175.6540 90 P 4.3302 0.0000 0.0000 65.5161 31.5382 178.4607 91 N 4.3257 8.1549 114.9289 56.5777 38.4343 176.9891 92 N 4.3753 8.0344 117.2141 56.5377 38.6608 177.3097 93 M 4.0184 8.4380 120.6709 58.1522 32.0932 178.2872 94 D 4.2640 8.6779 118.4939 57.5289 41.4626 178.4247 95 R 4.0303 8.1889 118.3631 59.2382 29.9901 178.7081 96 A 3.8388 8.2199 120.7161 55.3105 18.3259 179.8300 97 V 3.5456 7.7202 116.4937 66.1626 31.4489 178.4188 98 K 4.0400 7.9854 118.1317 59.3260 31.8492 179.1477 99 L 3.6992 8.1241 121.1620 58.0303 41.8920 178.3729 100 Y 4.0397 8.2219 119.9202 60.4322 38.4721 177.8532 101 K 3.7495 8.0233 118.6509 59.6347 32.4361 179.0357 102 K 4.1037 7.5210 116.8873 59.5322 31.9823 179.5835 103 L 3.9294 7.9925 119.1648 57.4932 41.2437 179.6183 104 K 3.8606 7.7057 117.6002 58.3659 31.8896 178.3767 105 R 4.4963 7.6601 116.3810 54.6994 30.6145 175.2741 106 E 4.5578 7.6582 119.7495 54.8238 30.7923 175.6644 107 I 4.2499 8.4025 123.0507 60.9740 39.8546 175.1019 108 T 4.7122 7.4308 109.5744 59.6086 71.3800 175.1833 109 F 4.3267 8.8377 124.0194 62.0815 39.5025 177.2038 110 H 4.1152 8.3891 115.5303 58.5079 28.6969 177.7113 111 G 3.6857 8.0855 107.2492 47.8688 0.0000 175.5207 112 A 3.9397 7.7076 123.0316 54.5887 18.4993 179.6134 113 K 3.7932 8.0024 118.5213 59.6979 31.9778 178.9035 114 E 3.9438 8.2541 118.1035 59.2590 29.7073 179.2319 115 V 3.7779 7.6919 118.0160 66.2187 31.5623 178.3463 116 S 4.2556 8.1547 114.8916 61.5057 62.4356 176.4678 117 L 4.0750 7.7266 120.5423 56.7853 41.3946 178.5557 118 S 4.4010 7.8640 112.5839 58.2379 63.6030 173.2526 119 Y 4.6317 7.3894 120.4704 56.1108 40.5025 176.0847 120 S 4.4970 8.3330 116.4271 58.1254 65.5152 175.1184 121 T 3.9342 8.6225 120.0883 67.1677 68.2156 176.8359 122 G 3.5735 8.1000 106.5323 47.7728 0.0000 175.4610 123 A 4.1909 7.6173 121.8988 54.8122 18.3461 179.7570 124 L 3.7885 8.2236 117.5691 57.7233 41.6690 179.5794 125 A 3.8147 8.1380 120.8604 55.3853 18.3236 179.8821 126 S 3.9949 7.8972 113.5785 61.8280 62.8229 176.5984 127 C 4.0155 8.1566 121.6653 62.5949 31.1795 175.4953 128 M 3.7022 8.1010 120.6707 57.9225 31.0625 178.9136 129 G 3.5733 7.9342 105.9156 47.7670 0.0000 175.5394 130 L 3.9136 7.6700 120.5458 57.7175 41.9003 179.5901 131 I 3.9919 7.7713 119.5274 64.4289 36.8575 177.8496 132 Y 4.4074 8.4704 119.8272 60.1484 38.6981 176.9028 133 N 4.6405 7.7505 114.8286 53.2356 40.3710 175.0968 134 R 4.6870 8.1913 120.0735 54.9947 31.1325 175.3441 135 M 4.2087 7.7311 117.3343 56.8776 32.8178 177.6115 136 G 4.0852 9.0742 111.4983 45.5140 0.0000 174.2557 137 T 4.2639 7.5388 108.5906 62.7831 69.5557 175.3225 138 V 4.5011 7.4240 113.9898 58.6363 35.5169 175.7956 139 T 4.1918 8.1528 112.7556 61.8673 70.7786 175.7231 140 T 3.9126 8.4149 118.2359 66.7908 68.3860 176.8472 141 E 4.2413 8.3107 119.9752 59.3352 29.5872 178.9969 142 A 3.9993 7.9773 120.4620 55.1764 18.5032 179.5396 143 A 4.0718 8.2424 119.2885 55.3747 18.3699 179.8268 144 F 4.3701 8.8321 116.9024 60.7400 39.0444 177.9778 145 G 3.1735 8.6795 105.6449 47.6433 0.0000 175.4339 146 L 3.8889 7.9771 122.7485 57.7191 42.0733 179.0585 147 V 3.5615 7.9040 118.2282 66.2430 31.4642 177.4636 148 C 4.0403 8.4638 118.2452 62.4669 31.3104 175.4547 149 A 3.8090 7.8722 122.2257 55.2943 17.9215 179.6187 150 T 3.7601 7.9719 114.3391 67.1146 68.5450 176.6011 151 C 4.1643 8.2133 118.5478 62.7246 28.1570 175.8003 152 E 4.0814 8.2178 120.8855 59.5019 29.0076 178.9113 153 Q 4.0257 8.0837 117.0168 58.9269 28.8211 178.5433 154 I 3.8427 7.7553 119.6315 64.4740 37.5765 178.0211 155 A 4.2347 8.4869 121.9025 55.0791 17.8657 178.4342 156 D 4.6638 7.8373 115.5873 54.2640 41.2804 176.7648 157 S 4.1897 7.9353 120.5003 58.9643 63.0331 174.0742 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 L 8.04 3.79 0.00 1.20 0.43 0.39 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.60 3.68 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 1.14 0.00 0.00 6 E 8.14 4.03 0.00 1.97 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 2.62 2.66 0.00 7 V 7.68 3.84 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 1.35 0.00 0.00 1.23 0.00 0.00 8 E 8.59 4.02 0.00 2.38 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 0.00 2.34 2.36 0.00 9 T 7.68 4.01 4.18 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 0.00 0.00 0.00 1.21 0.00 0.00 10 Y 7.90 4.13 0.00 3.31 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 11 V 8.36 3.84 2.30 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 1.05 0.00 0.00 1.15 0.00 0.00 12 L 8.54 4.08 0.00 1.71 1.72 0.93 0.79 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 13 S 7.88 4.24 0.00 4.00 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 14 I 7.27 4.41 1.90 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 1.83 0.69 0.97 0.00 0.00 15 I 7.30 4.33 2.03 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 1.39 0.82 0.96 0.00 0.00 16 P 0.00 4.42 0.00 2.18 2.18 0.00 3.82 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 1.99 1.95 0.00 17 S 7.98 3.66 0.00 3.87 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 18 G 8.27 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 0.00 0.00 0.00 0.00 19 P 0.00 4.27 0.00 2.21 2.14 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 20 L 7.99 4.22 0.00 1.72 1.78 0.93 0.83 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 21 K 7.99 3.96 0.00 1.90 1.97 0.00 1.80 0.00 0.00 1.99 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.60 7.81 22 A 7.90 3.99 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 23 E 8.76 3.92 0.00 2.43 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 0.00 2.43 2.71 0.00 24 I 8.42 3.95 2.21 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.04 1.03 0.00 0.00 25 A 8.28 3.93 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 26 Q 8.25 3.84 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 27 R 7.92 3.82 0.00 1.85 1.68 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.00 28 L 8.46 4.06 0.00 1.47 0.89 0.86 0.73 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 29 E 7.89 3.64 0.00 2.06 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 2.22 2.28 0.00 30 S 7.95 4.16 0.00 4.04 4.06 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 31 V 7.87 3.75 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 1.23 0.00 0.00 0.91 0.00 0.00 32 F 8.46 4.25 0.00 3.12 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 33 A 8.26 4.36 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 34 G 8.30 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 0.00 0.00 0.00 35 K 8.60 4.06 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.37 7.81 36 N 7.85 4.68 0.00 2.64 2.62 0.00 0.00 6.63 7.22 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 37 T 8.40 4.55 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 1.20 0.00 0.00 38 D 7.91 4.63 0.00 2.75 2.49 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 0.00 39 L 8.01 3.94 0.00 1.81 1.68 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.11 4.01 0.00 2.04 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 2.43 2.35 0.00 41 A 8.27 4.01 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 42 L 7.87 3.83 0.00 1.71 1.75 0.42 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.73 4.33 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.97 0.00 44 E 8.51 3.98 0.00 2.03 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 2.74 2.49 0.00 45 W 8.15 4.09 0.00 3.31 3.41 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 46 L 8.73 3.90 0.00 2.17 2.09 1.14 0.89 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 47 K 8.08 3.05 0.00 0.79 1.57 0.00 1.40 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 0.77 7.81 48 T 6.85 4.24 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 1.09 0.00 0.00 49 R 6.97 3.76 0.00 1.63 1.60 0.00 2.21 0.00 0.00 2.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.75 0.00 50 P 0.00 4.45 0.00 2.12 2.02 0.00 3.68 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 51 I 8.51 3.63 1.84 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 1.39 0.38 0.90 0.00 0.00 52 L 7.63 4.06 0.00 1.61 1.62 0.91 0.88 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 53 S 8.52 4.33 0.00 4.04 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 54 P 0.00 4.27 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 55 L 7.91 3.92 0.00 1.69 1.66 0.90 0.79 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 56 T 7.68 3.93 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 1.23 0.00 0.00 57 K 8.33 4.15 0.00 2.10 2.11 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.49 7.81 58 G 8.32 3.55 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 0.00 0.00 0.00 59 I 7.85 3.70 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.92 0.00 0.00 60 L 8.21 3.91 0.00 1.96 1.69 1.04 0.57 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 61 G 8.71 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 62 F 8.23 4.02 0.00 2.96 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 63 V 8.06 3.48 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 1.12 0.00 0.00 1.08 0.00 0.00 64 F 8.07 4.71 0.00 3.29 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 65 T 8.13 4.07 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 66 L 7.44 3.90 0.00 1.47 1.56 0.50 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.40 4.13 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 *77 R 7.43 4.20 0.00 1.79 1.93 0.00 3.50 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 78 R 8.78 3.98 0.00 2.00 2.04 0.00 3.42 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 79 F 8.44 4.29 0.00 3.28 3.26 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 80 V 6.72 3.13 1.65 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 0.18 0.00 0.00 -0.12 0.00 0.00 81 Q 7.95 4.01 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 82 N 8.31 4.36 0.00 2.76 2.89 0.00 0.00 7.07 7.19 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 83 A 7.53 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 84 L 7.77 3.93 0.00 1.49 1.78 0.57 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.38 4.34 0.00 2.84 2.72 0.00 0.00 6.94 8.15 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 *89 D 8.02 4.58 0.00 2.69 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 90 P 0.00 4.33 0.00 2.19 2.08 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 91 N 8.15 4.33 0.00 2.73 2.88 0.00 0.00 7.16 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 92 N 8.03 4.38 0.00 2.89 2.96 0.00 0.00 7.12 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 93 M 8.44 4.02 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 94 D 8.68 4.26 0.00 2.66 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 95 R 8.19 4.03 0.00 1.98 2.20 0.00 3.25 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 96 A 8.22 3.84 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 97 V 7.72 3.55 2.25 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 1.07 0.00 0.00 0.91 0.00 0.00 98 K 7.99 4.04 0.00 2.19 1.98 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.71 7.81 99 L 8.12 3.70 0.00 0.27 1.36 0.69 0.35 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 0.00 100 Y 8.22 4.04 0.00 3.04 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 0.00 101 K 8.02 3.75 0.00 2.00 1.87 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 102 K 7.52 4.10 0.00 2.01 1.85 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.62 7.81 103 L 7.99 3.93 0.00 1.59 1.66 0.88 0.80 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 0.00 104 K 7.71 3.86 0.00 1.66 1.69 0.00 1.07 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.04 0.72 7.81 105 R 7.66 4.50 0.00 1.87 1.90 0.00 3.12 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 106 E 7.66 4.56 0.00 2.05 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 2.45 2.34 0.00 107 I 8.40 4.25 1.88 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 1.48 1.12 0.93 0.00 0.00 108 T 7.43 4.71 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 0.00 109 F 8.84 4.33 0.00 3.11 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 0.00 110 H 8.39 4.12 0.00 3.27 3.34 0.00 5.69 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 0.00 111 G 8.09 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 0.00 112 A 7.71 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.79 0.00 1.11 1.58 0.00 1.23 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.18 7.81 114 E 8.25 3.94 0.00 1.94 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 2.33 2.47 0.00 115 V 7.69 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 1.14 0.00 0.00 1.03 0.00 0.00 116 S 8.15 4.26 0.00 4.00 3.86 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 0.00 117 L 7.73 4.07 0.00 1.78 1.72 0.86 0.86 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 0.00 118 S 7.86 4.40 0.00 3.89 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 0.00 119 Y 7.39 4.63 0.00 3.03 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 0.00 120 S 8.33 4.50 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 0.00 121 T 8.62 3.93 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 1.19 0.00 0.00 122 G 8.10 3.57 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 0.00 0.00 0.00 123 A 7.62 4.19 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 0.00 124 L 8.22 3.79 0.00 1.80 1.64 0.96 0.96 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 0.00 125 A 8.14 3.81 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 0.00 126 S 7.90 3.99 0.00 4.02 3.86 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 0.00 127 C 8.16 4.02 0.00 2.95 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 0.00 128 M 8.10 3.70 0.00 1.01 1.80 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.82 0.00 129 G 7.93 3.57 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 0.00 0.00 0.00 130 L 7.67 3.91 0.00 1.60 1.33 0.64 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.77 3.99 2.10 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 1.69 0.90 1.16 0.00 0.00 132 Y 8.47 4.41 0.00 3.30 3.24 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 0.00 133 N 7.75 4.64 0.00 2.81 2.80 0.00 0.00 6.75 7.37 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 0.00 134 R 8.19 4.69 0.00 1.79 1.84 0.00 2.90 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 135 M 7.73 4.21 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 136 G 9.07 4.09 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 0.00 137 T 7.54 4.26 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 138 V 7.42 4.50 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 0.76 0.00 0.00 1.01 0.00 0.00 139 T 8.15 4.19 4.42 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 1.22 0.00 0.00 140 T 8.41 3.91 4.39 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 1.41 0.00 0.00 141 E 8.31 4.24 0.00 2.15 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 2.46 2.50 0.00 142 A 7.98 4.00 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 0.00 143 A 8.24 4.07 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 0.00 144 F 8.83 4.37 0.00 3.48 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.68 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 0.00 0.00 0.00 146 L 7.98 3.89 0.00 1.75 1.85 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.90 3.56 2.42 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 1.16 0.00 0.00 1.23 0.00 0.00 148 C 8.46 4.04 0.00 3.37 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 0.00 149 A 7.87 3.81 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 0.00 150 T 7.97 3.76 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 1.15 0.00 0.00 151 C 8.21 4.16 0.00 3.18 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 0.00 152 E 8.22 4.08 0.00 1.73 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 0.00 2.34 2.53 0.00 153 Q 8.08 4.03 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 154 I 7.76 3.84 2.04 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 1.46 0.64 0.93 0.00 0.00 155 A 8.49 4.23 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 0.00 156 D 7.84 4.66 0.00 2.81 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 0.00 157 S 7.94 4.19 0.00 3.97 3.78 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 * Residues marked with a * may have inaccurate shift predictions.