NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4011 8.2893 120.3496 54.9564 34.1551 175.2228 2 T 4.3991 7.4205 109.3285 59.7054 71.2703 172.9758 3 H 4.6620 9.8816 127.4607 59.8185 31.7380 174.9201 4 D 3.9960 9.0890 119.9802 56.5617 41.9476 180.0911 5 N 3.7872 7.8042 115.0961 53.2314 39.8198 175.0311 6 K 4.0200 8.7112 117.0978 57.7503 34.5187 175.6691 7 L 3.2365 7.8614 126.5671 56.0407 42.3526 174.6371 *8 Q 3.3394 8.8740 124.9783 55.6471 25.5163 170.9516 9 V 3.5925 7.8034 110.0885 62.5289 32.3052 178.0192 10 E 4.1980 8.6396 124.3372 55.3705 27.4848 173.8578 11 A 4.6306 8.0289 123.0041 50.1319 20.6402 176.9588 12 I 4.2693 7.9600 116.3650 59.3271 40.0910 176.1392 13 K 3.0615 8.0291 122.0442 58.4688 32.4916 176.6384 14 R 5.0080 8.4229 116.9575 53.0497 33.6831 175.9930 15 G 3.5475 7.1061 107.7024 45.7404 0.0000 170.4512 16 T 5.0508 7.6998 115.6124 61.6488 72.5027 173.4823 17 V 4.6661 8.5427 125.4337 61.2264 34.3903 174.1092 18 I 4.6159 8.8218 129.8826 60.0552 38.7846 174.5172 19 D 5.0669 8.3963 126.4397 52.0603 45.0266 174.4049 20 H 3.8546 8.5201 117.8440 57.0567 28.2761 175.1015 21 I 4.0718 7.7121 120.0301 60.2926 37.5975 175.9368 22 P 3.8457 0.0000 0.0000 63.3634 32.2321 175.0196 23 A 4.1988 7.9882 122.1118 53.6393 17.9473 179.4340 24 Q 3.6520 8.6633 115.6153 57.4010 27.9683 175.5688 25 I 4.2483 8.1960 117.7784 62.5987 36.8204 177.8741 26 G 3.8773 8.0266 107.0538 48.1894 0.0000 175.4497 27 F 4.1636 8.2572 122.7471 60.3277 39.4700 177.1927 28 K 3.7783 8.1476 117.8666 59.5916 31.9046 178.8930 29 L 4.2600 8.1536 119.2668 58.0156 41.4039 179.7356 30 L 3.9875 7.5066 118.0941 58.3173 41.4352 178.9349 31 S 4.0535 7.7768 115.7090 60.2385 62.4191 176.1538 32 L 3.5480 8.0014 124.0165 57.9581 41.6511 178.8609 33 F 4.4470 7.7189 113.3627 56.2412 39.3721 176.4146 34 K 3.9262 7.9194 119.7532 57.6085 29.5348 175.3322 35 L 4.1821 7.7498 120.1178 57.3014 42.3567 179.5199 36 T 4.0834 7.7472 106.3519 62.3157 69.4953 175.4253 37 E 4.3150 7.2625 124.4936 54.5348 27.8698 175.2238 38 T 4.4777 7.2121 113.0421 61.4459 70.5127 172.7234 39 D 4.7161 8.4796 123.9327 54.3727 41.6581 177.0557 40 Q 4.2579 7.4491 118.5284 54.6661 29.9115 175.5986 41 R 4.0110 8.4193 120.9230 56.9500 30.9330 175.2536 42 I 5.2324 8.4023 126.7854 59.6563 40.7197 175.0576 43 T 4.6818 8.7939 114.8955 60.0859 71.6653 172.7630 44 I 4.9722 8.6391 125.9321 59.2909 40.6905 175.1381 45 G 4.1435 8.9773 111.9187 44.5305 0.0000 171.3187 46 L 5.0223 8.5587 125.3420 53.1155 44.1538 176.4400 47 N 4.1791 8.9279 120.1667 54.3259 36.3566 175.1159 48 L 4.1661 8.5506 118.9958 53.6148 42.7656 175.5429 49 P 4.5032 0.0000 0.0000 63.3911 31.6116 177.4102 50 S 4.7400 8.8100 116.1727 56.8547 64.5853 175.0633 51 G 3.9654 8.2996 116.4402 49.5169 0.0000 173.2277 52 E 4.1771 8.0945 116.1190 58.8418 29.5137 177.7906 53 M 4.6655 8.5182 120.1408 54.4577 33.8698 175.9359 54 G 3.8856 8.4534 109.1752 45.8016 0.0000 174.5114 55 R 5.1220 8.2804 115.8217 53.2694 35.5741 174.7759 56 K 4.5973 8.9942 119.9267 56.5556 36.8411 173.4223 57 D 5.3774 8.7669 119.5426 52.7812 45.4836 175.0472 58 L 4.7317 8.0531 116.5669 54.7163 46.2887 173.1234 59 I 4.9786 8.4736 127.1932 59.3907 40.5859 174.5792 60 K 4.9335 9.1949 126.0170 54.6823 34.9201 175.1181 61 I 4.7092 8.5257 126.3032 59.3274 39.9005 174.8841 62 E 4.3292 8.8127 127.6539 56.2795 30.3137 176.7131 63 N 3.9522 8.5017 120.6732 54.4823 36.5690 174.5944 64 T 4.4529 6.8725 112.1280 61.8547 72.4278 173.5879 65 F 4.7970 8.3766 123.6001 55.4051 39.8941 172.7813 66 L 4.4423 8.1001 126.5172 54.1497 42.8289 176.2860 67 S 4.5794 9.2422 121.0735 57.7081 67.8622 173.8727 68 E 3.9939 8.8635 121.3623 57.8548 28.3295 176.9566 69 D 4.3336 8.6060 121.3081 57.4152 40.1962 178.6614 70 Q 3.9947 7.8734 118.7608 58.1806 29.0065 179.0909 71 V 3.6814 7.6096 118.7223 66.0734 31.8322 177.7271 72 D 4.5780 8.1019 119.8274 56.6918 40.0205 178.4418 73 Q 4.0752 8.1654 120.2902 59.2690 28.9450 178.2375 74 L 4.1995 7.7800 118.2101 56.4465 41.3727 178.7284 75 A 3.9581 7.7605 120.9524 55.3028 18.2867 179.0703 76 L 3.8796 7.5848 116.5420 57.2042 42.1110 177.6850 77 Y 4.5168 7.9227 115.1142 58.3896 40.6618 175.9889 78 A 4.8511 7.6190 120.6047 49.2020 18.8934 174.4438 79 P 4.2961 0.0000 0.0000 64.1723 31.7013 177.1283 80 Q 4.3925 7.8477 115.3680 54.0275 29.2024 174.1916 81 A 5.0461 8.2917 124.2191 50.4451 22.5966 174.8248 82 T 4.5430 8.5404 112.4795 59.9325 70.9211 174.1588 83 V 4.1738 8.7381 127.5095 62.4169 33.5080 174.4873 84 N 5.6134 8.7105 122.8284 51.5216 42.1350 174.4642 85 R 5.0190 9.0865 121.1939 55.9191 32.1790 175.5435 86 I 5.2326 9.0646 119.3406 59.8079 41.1094 175.6392 87 D 4.7195 8.9405 125.4832 54.3509 41.4299 176.1523 88 N 4.5136 8.2444 118.2398 53.9077 40.4685 172.4026 89 Y 3.9118 8.4747 121.0810 58.7270 36.4572 171.3636 90 E 4.6327 8.8312 121.1786 54.6088 32.9436 174.0623 91 V 3.9769 8.2690 122.0760 63.5590 31.4037 176.4842 92 V 4.4069 9.3083 129.9906 59.4677 31.7412 174.2374 93 G 3.2686 7.6483 106.7508 45.4007 0.0000 172.7170 94 K 5.0184 8.2030 126.1816 54.8944 34.4090 176.2638 95 S 4.6881 9.2995 119.2814 56.9059 67.1441 173.0201 96 R 4.9314 8.5231 124.2319 53.6932 32.0504 173.7961 97 P 4.4234 0.0000 0.0000 63.0944 31.5787 175.7516 98 S 4.7577 8.6702 119.6590 56.1521 64.9512 173.4282 99 L 4.2097 8.2932 125.9590 54.5285 42.4320 175.4317 100 P 4.6964 0.0000 0.0000 61.9387 33.8589 174.6131 101 E 4.2337 8.7306 117.5431 59.0556 30.5523 177.0337 102 R 5.0239 7.8436 116.4191 54.6985 34.0667 174.2889 103 I 4.6771 8.8106 123.4739 59.8189 40.1875 174.6179 104 D 5.2409 8.9158 126.4029 54.1160 43.0639 175.9466 105 N 4.6597 9.3770 123.1945 53.7210 37.5584 175.5283 106 V 4.0372 8.8288 120.3330 63.4357 31.4672 174.2071 107 L 5.2605 7.3089 127.2252 53.3873 43.1045 173.5096 108 V 4.5515 7.3662 119.9842 60.9888 34.5233 174.5726 109 C 4.6307 8.9025 126.7570 58.7901 31.7856 172.2469 110 P 3.7841 0.0000 0.0000 65.4073 31.1651 175.7359 111 N 4.5114 7.5702 116.8484 53.3132 38.2994 175.5540 112 S 4.2667 8.6604 121.6714 60.8193 63.3408 174.5513 113 N 4.6558 8.2540 117.4896 53.4857 39.0151 174.1400 114 C 4.2903 7.9801 118.9743 59.6413 31.8438 174.3615 115 I 3.6602 8.3131 126.6112 63.5649 37.8461 177.6380 116 S 3.9260 7.7524 113.8259 60.8705 62.8359 175.2811 117 H 4.3546 7.7535 118.2894 58.4352 28.4440 176.0577 118 A 4.4885 7.5447 118.2675 51.9179 19.2865 176.2922 119 E 4.7077 7.5610 115.0506 53.5449 32.8594 174.8300 120 P 4.6353 0.0000 0.0000 62.8160 30.0092 176.2374 121 V 4.5009 7.2048 116.7744 60.3239 34.6698 175.2200 122 S 4.9214 8.4360 116.3486 56.4876 64.5828 174.1357 123 S 4.5175 8.7172 118.7690 59.1535 64.4421 173.1448 124 S 5.1247 8.1752 114.6252 57.4910 65.7885 172.7882 125 F 5.3937 9.5527 125.1952 55.6764 43.1381 173.5825 126 A 4.9803 9.0617 124.2350 50.5383 21.0572 176.0047 127 V 4.6594 8.0436 122.5270 61.5420 33.4127 175.5708 128 R 4.3773 8.8389 127.8630 54.8850 33.2841 174.1562 129 K 4.5054 8.8125 128.9934 56.4431 31.0660 175.2471 130 R 4.0670 9.3455 125.5517 54.3305 28.8228 174.2074 131 A 4.0527 7.1567 126.4505 54.6183 16.2191 174.2334 132 N 4.3113 7.3910 125.2227 52.3594 37.1651 176.3503 133 D 5.0990 8.6249 119.7333 51.4052 42.7077 174.3933 134 I 5.0079 8.2167 118.5020 59.8755 40.0942 174.8776 135 A 5.0380 9.3064 129.7076 50.7621 21.1765 175.7523 136 L 5.2709 8.8953 120.4529 52.9363 45.1246 175.4255 137 K 4.9762 9.3046 126.5448 54.8427 34.2700 175.0863 138 C 3.7724 8.9684 128.7091 58.8736 32.0676 174.0689 139 K 3.5144 8.3123 127.9298 59.7544 31.8058 177.2743 140 Y 4.3273 7.7873 116.4384 60.2232 38.4731 176.5592 141 C 4.2288 7.9670 113.9889 59.1730 30.4184 174.6810 142 E 4.6532 8.1245 117.0874 56.9437 26.5396 173.6887 143 K 4.2665 7.4223 118.6767 55.5132 33.8714 175.3036 144 E 4.9879 8.1962 125.0288 54.7469 30.8830 174.8525 145 F 5.0934 9.1920 125.1158 55.2583 43.7130 174.7115 146 S 4.4836 8.7199 115.3451 58.2665 62.9675 174.9791 147 H 4.2081 9.0369 123.0270 58.3340 27.9543 177.5900 148 N 4.2624 7.5285 119.9183 55.9231 38.3892 177.4263 149 V 3.5799 7.9545 120.0936 65.7170 31.3460 178.3206 150 V 3.4378 7.3644 116.8118 65.7192 31.6820 177.5439 151 L 4.1538 8.0083 116.5750 57.1205 41.5123 177.9361 152 A 4.1881 8.2196 121.4134 50.6385 18.6606 176.6601 153 N 3.9611 7.8349 120.4669 52.6902 41.2818 174.8493 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 M 8.29 4.40 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 7.42 4.40 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 3 H 9.88 4.66 0.00 3.05 3.19 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.09 4.00 0.00 2.91 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 5 N 7.80 3.79 0.00 2.91 2.84 0.00 0.00 5.97 7.13 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 6 K 8.71 4.02 0.00 1.89 1.98 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.37 7.81 7 L 7.86 3.24 0.00 1.74 1.68 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 8.87 3.34 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.50 0.00 0.00 0.00 0.00 0.00 2.20 1.93 0.00 9 V 7.80 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 0.88 0.00 0.00 0.95 0.00 0.00 10 E 8.64 4.20 0.00 1.95 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 2.32 2.37 0.00 11 A 8.03 4.63 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 12 I 7.96 4.27 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.92 0.00 0.00 13 K 8.03 3.06 0.00 1.27 1.57 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.06 7.81 14 R 8.42 5.01 0.00 1.92 1.66 0.00 3.41 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 15 G 7.11 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 16 T 7.70 5.05 4.20 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 0.00 0.00 0.00 1.26 0.00 0.00 17 V 8.54 4.67 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 0.99 0.00 0.00 0.92 0.00 0.00 18 I 8.82 4.62 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.90 0.00 0.00 19 D 8.40 5.07 0.00 2.72 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 20 H 8.52 3.85 0.00 3.30 3.31 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.71 4.07 1.88 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 1.31 0.39 0.97 0.00 0.00 22 P 0.00 3.85 0.00 2.07 2.15 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 23 A 7.99 4.20 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 24 Q 8.66 3.65 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 25 I 8.20 4.25 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.78 1.05 0.00 0.00 26 G 8.03 3.88 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 0.00 0.00 0.00 27 F 8.26 4.16 0.00 3.14 3.12 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 0.00 0.00 0.00 28 K 8.15 3.78 0.00 1.93 1.67 0.00 1.82 0.00 0.00 1.91 0.00 0.00 3.19 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.80 7.81 29 L 8.15 4.26 0.00 1.83 1.79 0.91 0.81 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 30 L 7.51 3.99 0.00 1.45 1.48 0.88 0.88 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 31 S 7.78 4.05 0.00 3.75 3.61 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 32 L 8.00 3.55 0.00 0.70 0.72 0.12 0.57 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 33 F 7.72 4.45 0.00 3.18 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 34 K 7.92 3.93 0.00 1.77 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.48 7.81 35 L 7.75 4.18 0.00 1.64 1.69 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.75 4.08 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 37 E 7.26 4.32 0.00 2.08 1.95 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 2.31 2.22 0.00 38 T 7.21 4.48 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 1.28 0.00 0.00 39 D 8.48 4.72 0.00 2.68 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 40 Q 7.45 4.26 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.28 0.00 41 R 8.42 4.01 0.00 1.87 1.91 0.00 3.09 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 42 I 8.40 5.23 1.86 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 1.37 0.97 0.98 0.00 0.00 43 T 8.79 4.68 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 1.21 0.00 0.00 44 I 8.64 4.97 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.96 0.00 0.00 45 G 8.98 4.14 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 0.00 46 L 8.56 5.02 0.00 1.51 1.57 0.96 1.21 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 47 N 8.93 4.18 0.00 2.86 2.88 0.00 0.00 7.06 8.39 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 48 L 8.55 4.17 0.00 1.66 1.59 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.50 0.00 2.03 2.03 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 50 S 8.81 4.74 0.00 3.94 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 51 G 8.30 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 52 E 8.09 4.18 0.00 2.10 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 2.29 2.36 0.00 53 M 8.52 4.67 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 54 G 8.45 3.89 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 0.00 0.00 0.00 55 R 8.28 5.12 0.00 1.63 1.77 0.00 3.27 0.00 0.00 2.96 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 56 K 8.99 4.60 0.00 1.83 1.81 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.41 7.81 57 D 8.77 5.38 0.00 2.63 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 58 L 8.05 4.73 0.00 1.64 1.46 1.02 1.63 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 59 I 8.47 4.98 1.86 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 1.24 0.62 0.90 0.00 0.00 60 K 9.19 4.93 0.00 1.76 1.66 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.37 7.81 61 I 8.53 4.71 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.84 0.00 0.00 62 E 8.81 4.33 0.00 1.92 1.78 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 2.23 2.21 0.00 63 N 8.50 3.95 0.00 2.74 2.80 0.00 0.00 6.77 8.05 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 64 T 6.87 4.45 4.05 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 1.14 0.00 0.00 65 F 8.38 4.80 0.00 3.05 2.86 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 66 L 8.10 4.44 0.00 1.56 1.57 0.88 0.81 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 67 S 9.24 4.58 0.00 3.89 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 68 E 8.86 3.99 0.00 2.19 1.83 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 2.29 2.28 0.00 69 D 8.61 4.33 0.00 2.89 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 70 Q 7.87 3.99 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 71 V 7.61 3.68 2.23 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 1.05 0.00 0.00 0.93 0.00 0.00 72 D 8.10 4.58 0.00 2.98 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 73 Q 8.17 4.08 0.00 2.42 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 74 L 7.78 4.20 0.00 1.77 1.64 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.76 3.96 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 76 L 7.58 3.88 0.00 1.53 1.05 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.92 4.52 0.00 3.13 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 78 A 7.62 4.85 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 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.30 0.00 2.18 2.21 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 80 Q 7.85 4.39 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 81 A 8.29 5.05 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 82 T 8.54 4.54 4.25 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 1.21 0.00 0.00 83 V 8.74 4.17 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 0.82 0.00 0.00 0.91 0.00 0.00 84 N 8.71 5.61 0.00 2.68 2.68 0.00 0.00 6.78 7.29 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 85 R 9.09 5.02 0.00 1.96 2.33 0.00 2.97 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 86 I 9.06 5.23 1.90 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 0.92 1.22 1.07 0.00 0.00 87 D 8.94 4.72 0.00 2.78 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 88 N 8.24 4.51 0.00 2.76 2.74 0.00 0.00 7.46 7.56 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 89 Y 8.47 3.91 0.00 3.18 3.08 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 90 E 8.83 4.63 0.00 2.02 1.78 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 2.25 2.31 0.00 91 V 8.27 3.98 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 0.89 0.00 0.00 0.96 0.00 0.00 92 V 9.31 4.41 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 0.74 0.00 0.00 0.95 0.00 0.00 93 G 7.65 3.27 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 0.00 94 K 8.20 5.02 0.00 1.64 1.73 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.64 1.45 7.81 95 S 9.30 4.69 0.00 3.66 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 96 R 8.52 4.93 0.00 1.78 1.79 0.00 3.49 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 97 P 0.00 4.42 0.00 2.11 2.23 0.00 3.99 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 98 S 8.67 4.76 0.00 4.01 3.79 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 99 L 8.29 4.21 0.00 1.57 1.57 0.88 0.92 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 0.00 100 P 0.00 4.70 0.00 2.35 2.10 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 2.08 1.99 0.00 101 E 8.73 4.23 0.00 2.14 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 2.37 2.37 0.00 102 R 7.84 5.02 0.00 1.82 1.75 0.00 3.21 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 103 I 8.81 4.68 1.99 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 1.32 0.65 1.08 0.00 0.00 104 D 8.92 5.24 0.00 2.61 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 0.00 105 N 9.38 4.66 0.00 2.88 3.02 0.00 0.00 6.79 7.62 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 0.00 106 V 8.83 4.04 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 0.47 0.00 0.00 0.62 0.00 0.00 107 L 7.31 5.26 0.00 1.90 1.57 0.46 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.37 4.55 2.22 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 0.86 0.00 0.00 0.95 0.00 0.00 109 C 8.90 4.63 0.00 3.11 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 0.00 110 P 0.00 3.78 0.00 0.89 1.76 0.00 2.98 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.75 0.00 111 N 7.57 4.51 0.00 3.18 2.85 0.00 0.00 6.85 7.55 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 0.00 112 S 8.66 4.27 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 0.00 113 N 8.25 4.66 0.00 2.72 2.89 0.00 0.00 6.94 7.65 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 0.00 114 C 7.98 4.29 0.00 3.08 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 0.00 115 I 8.31 3.66 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 0.68 0.00 0.00 116 S 7.75 3.93 0.00 3.88 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 0.00 117 H 7.75 4.35 0.00 3.11 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.54 4.49 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 0.00 119 E 7.56 4.71 0.00 1.79 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 2.23 2.08 0.00 120 P 0.00 4.64 0.00 2.16 2.09 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 121 V 7.20 4.50 1.89 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 0.60 0.00 0.00 0.96 0.00 0.00 122 S 8.44 4.92 0.00 4.04 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 0.00 123 S 8.72 4.52 0.00 4.15 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 0.00 124 S 8.18 5.12 0.00 3.93 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 0.00 125 F 9.55 5.39 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 0.00 126 A 9.06 4.98 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 0.00 127 V 8.04 4.66 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 0.76 0.00 0.00 0.98 0.00 0.00 128 R 8.84 4.38 0.00 1.89 1.73 0.00 3.15 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 129 K 8.81 4.51 0.00 1.78 1.73 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 130 R 9.35 4.07 0.00 1.95 2.05 0.00 3.23 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 131 A 7.16 4.05 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 0.00 132 N 7.39 4.31 0.00 2.77 3.00 0.00 0.00 7.08 8.47 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 0.00 133 D 8.62 5.10 0.00 2.89 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 0.00 134 I 8.22 5.01 1.67 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 1.23 0.76 0.88 0.00 0.00 135 A 9.31 5.04 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 0.00 136 L 8.90 5.27 0.00 1.68 1.71 0.67 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 137 K 9.30 4.98 0.00 1.83 1.70 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 138 C 8.97 3.77 0.00 3.03 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 0.00 139 K 8.31 3.51 0.00 1.58 1.17 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 1.12 7.81 140 Y 7.79 4.33 0.00 2.98 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 0.00 141 C 7.97 4.23 0.00 3.17 3.25 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 0.00 142 E 8.12 4.65 0.00 2.14 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 2.15 2.24 0.00 143 K 7.42 4.27 0.00 1.69 1.41 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.26 7.81 144 E 8.20 4.99 0.00 1.87 1.70 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 2.18 2.32 0.00 145 F 9.19 5.09 0.00 3.02 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 0.00 146 S 8.72 4.48 0.00 3.86 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 0.00 147 H 9.04 4.21 0.00 3.31 3.63 0.00 5.31 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.53 4.26 0.00 2.60 2.83 0.00 0.00 6.46 7.53 0.00 0.00 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 V 7.95 3.58 2.22 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 0.96 0.00 0.00 0.99 0.00 0.00 150 V 7.36 3.44 1.97 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 0.48 0.00 0.00 0.79 0.00 0.00 151 L 8.01 4.15 0.00 1.64 1.70 0.77 0.70 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 0.00 152 A 8.22 4.19 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 0.00 153 N 7.83 3.96 0.00 2.77 2.83 0.00 0.00 7.22 7.58 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 * Residues marked with a * may have inaccurate shift predictions.