NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2618 0.0000 0.0000 62.9319 33.8882 174.3309 2 H 4.9508 7.7447 121.5508 54.0877 31.9026 171.9417 3 F 5.4992 9.1741 125.0900 55.7226 43.0873 173.6890 4 L 4.4408 8.0341 122.3392 53.5166 44.1601 175.3671 5 I 4.6870 8.3471 127.5144 59.8013 38.8712 174.1974 6 L 5.0303 9.0792 131.1754 53.4464 43.9409 174.6830 7 N 5.3757 9.1646 124.5282 51.7204 41.6323 175.5032 8 G 4.2924 9.0569 113.3994 43.3395 0.0000 171.0115 9 P 4.8583 0.0000 0.0000 63.6180 31.6721 176.6841 10 N 4.2639 9.1273 115.0561 54.0380 37.4300 176.4443 11 V 3.5639 7.4081 118.3882 65.6009 31.6913 177.4584 12 N 4.4359 8.0290 115.6237 54.8453 37.3955 175.5448 13 R 4.1492 7.9387 117.6767 55.6783 30.6037 174.9423 14 L 3.7894 7.4604 119.6004 58.1581 41.3278 176.2989 15 G 3.4527 9.0577 117.4311 45.7729 0.0000 175.1169 16 S 3.8607 7.5507 115.0966 60.6215 63.0238 173.5903 17 R 4.3302 7.6462 115.1128 56.4549 32.3319 176.0676 18 E 3.6779 8.2848 111.8380 57.6640 26.7558 174.1780 19 P 5.2250 0.0000 0.0000 63.7277 32.2285 178.3311 20 E 4.1477 8.0179 116.7929 57.9405 30.0486 177.7205 21 V 3.6429 7.5592 117.4283 64.3684 31.8735 176.3903 22 F 4.8291 7.8652 116.9508 56.8319 40.2086 176.4123 23 G 3.9524 8.2803 114.7713 45.7183 0.0000 175.2719 24 R 4.6274 8.2708 114.4647 55.9405 31.3699 172.4719 25 Q 4.3927 8.0088 113.6431 57.1492 29.3756 175.8894 26 T 4.9291 7.8675 110.8565 59.1337 72.4055 175.3214 27 L 3.8955 8.1702 121.8399 58.4071 41.9671 178.9588 28 T 3.6977 7.7146 115.2352 66.5682 68.4816 175.8301 29 D 4.3269 8.2055 121.1080 57.7914 40.8393 179.2678 30 I 3.6504 7.6965 119.7701 64.4433 36.9850 178.4116 31 E 3.3105 7.9571 119.3430 59.2963 29.0169 179.5316 32 T 3.8036 7.7026 115.7847 66.6977 68.4603 176.3908 33 D 4.3892 8.0046 120.7267 57.5414 40.8806 179.0060 34 L 4.1841 8.4456 121.9920 58.1006 41.5293 180.0913 *35 F 4.1911 8.4723 121.3340 62.2062 37.9764 181.4096 36 Q 4.1873 8.6077 118.9788 58.6731 28.3710 178.3946 37 F 4.1000 8.7861 120.9608 61.5721 39.7084 177.1083 38 A 3.9291 8.6299 120.4357 55.1734 18.2095 178.8588 39 E 3.7610 8.1420 116.7518 59.9616 29.4115 179.6402 40 A 4.0749 8.0332 123.3259 55.4154 18.5623 178.8632 41 L 4.2738 7.4199 113.3355 53.5255 41.7917 179.8078 42 H 3.8231 8.5232 117.5041 57.8316 28.0672 173.6310 43 I 4.7077 7.0205 111.4643 59.5327 41.4391 176.0533 44 Q 4.7563 8.7902 122.2990 54.3347 31.3867 174.7173 45 L 5.3627 8.4266 120.8721 53.3210 45.6684 175.9349 46 T 4.7079 8.4796 118.3636 61.8114 71.9367 172.9001 47 F 5.2333 8.9293 123.9471 55.9998 41.2946 175.1224 48 F 5.0261 9.0896 124.4625 56.8530 42.8408 172.8186 49 Q 5.3034 7.7274 125.9916 53.5900 31.6826 174.0935 50 S 4.4862 7.8858 116.8202 57.5475 65.9929 174.6199 51 N 4.6781 8.9402 121.8319 54.1291 39.0347 174.0362 52 H 5.0851 8.1805 117.7038 53.7929 30.9308 174.9874 53 E 4.0179 8.8473 126.7004 59.4102 29.5329 179.0906 54 G 3.6690 8.0957 105.2280 47.8781 0.0000 175.2817 55 D 4.4556 8.0448 120.7089 57.2318 40.9723 178.6652 56 L 4.1421 7.9245 119.3331 57.6377 41.5961 179.6420 57 I 3.6338 7.8009 119.8575 64.4023 37.0782 177.9666 58 D 4.3252 8.3313 119.7915 57.5261 40.7042 178.8764 59 A 3.9421 8.1203 121.0054 55.1756 18.1025 179.8141 60 I 3.6586 7.6233 117.1983 64.8639 37.3098 177.8883 61 H 4.3982 7.9629 115.5989 59.2345 28.5191 177.4570 62 E 4.1522 8.5108 119.1667 58.3996 29.3178 178.9521 63 A 4.3348 7.9300 121.6737 55.2612 18.3083 178.8557 64 E 4.0573 8.3576 117.2276 59.0539 29.2256 177.9116 65 E 4.5948 7.4787 114.0153 56.0636 29.8001 176.1078 66 Q 4.1862 8.4176 118.4392 55.3977 31.5986 173.8913 67 Y 4.9727 7.6639 113.3151 56.2486 41.1920 175.0555 68 S 4.7644 8.3397 114.5214 58.1784 64.2458 173.6422 69 G 4.2129 7.8627 106.7906 46.3622 0.0000 172.3499 70 I 5.1446 8.0440 119.4397 59.4355 41.7612 174.8298 71 V 4.5920 8.6215 126.8032 61.2331 33.3594 173.9348 72 L 5.0898 8.9012 131.1577 53.3767 44.5110 174.4703 73 N 5.2089 9.3910 125.7147 50.2294 40.4399 172.5956 74 P 4.4566 0.0000 0.0000 61.9555 33.1108 178.0309 75 G 3.8334 8.4233 108.5834 46.2753 0.0000 174.7042 76 A 4.3080 8.5378 119.9842 54.3341 18.3978 179.4173 77 L 3.2105 7.5089 116.4806 57.2865 41.5392 179.0852 78 S 4.0025 7.7687 113.0453 61.5287 61.9420 175.2032 79 H 5.0319 8.0215 116.3408 56.6988 28.9923 175.3313 80 Y 4.6534 7.2963 114.3645 55.9507 41.6105 176.2660 81 S 4.2271 7.8453 117.2926 57.1956 60.3101 173.3565 82 Y 4.2576 7.9262 124.3582 60.3934 37.8326 177.5713 83 A 4.0528 8.0739 121.4840 55.0526 18.5160 179.4101 84 I 3.8043 7.6671 118.2454 63.8662 37.3004 178.2356 85 R 3.8743 7.9325 119.7860 59.8544 29.7231 178.2113 86 D 4.4225 8.2247 117.1201 57.2518 41.1401 178.4951 87 A 4.2355 7.8527 121.3431 55.3479 18.4714 179.7890 88 V 3.5874 7.8376 116.6514 66.4002 31.3466 178.3739 89 S 4.3682 7.9838 113.8017 60.7724 62.7780 175.8071 90 S 4.4839 7.7860 115.2088 58.1041 63.4197 173.6327 91 I 4.9151 6.9509 113.7634 58.3349 39.9759 175.5685 92 S 4.5065 9.1346 115.3227 59.2506 63.7269 174.8978 93 L 4.3763 7.8583 121.1227 53.9818 42.5755 174.9610 94 P 4.5118 0.0000 0.0000 62.8050 32.8066 175.0215 95 V 4.8681 8.5182 123.9166 60.8765 34.5875 173.9835 96 V 4.7849 8.5110 126.9638 60.9868 34.4196 173.7363 97 E 4.7643 8.8858 129.1942 55.4813 31.2810 175.0352 98 V 4.7415 8.6115 126.2457 61.3858 35.1082 173.7706 99 H 4.7414 8.8334 123.8157 54.1574 32.3985 174.1968 100 L 4.0436 8.7937 123.6724 57.9669 42.1473 177.9802 101 S 4.4631 7.9853 111.5926 57.6670 64.0918 174.1250 102 N 4.5075 8.1877 120.2894 52.1294 37.3982 174.9785 103 L 3.7688 7.9913 124.7594 57.6313 41.9592 179.4872 104 Y 3.8927 7.0485 114.5313 59.9675 37.7856 176.5337 105 A 4.5545 7.7643 120.9431 51.9280 19.9929 177.2377 106 R 4.7796 7.5908 116.9930 54.6749 32.1755 175.6213 107 E 3.9339 8.4710 118.8321 57.5027 30.2369 177.5086 108 E 3.3692 8.8081 122.8925 59.1329 29.7477 179.1474 109 F 4.2259 7.8928 112.1593 59.3140 37.9700 176.0519 110 R 3.3556 6.8271 118.6483 57.2632 30.0078 176.7453 111 H 4.6736 8.0853 115.0003 56.2869 29.1015 175.1183 112 Q 4.6892 7.8099 117.3171 54.1138 31.1163 174.3654 113 S 4.8872 8.6335 115.3239 56.9305 63.9283 174.1066 114 V 4.1139 8.7078 120.1160 61.9268 32.1607 176.9758 115 I 4.0748 7.5134 120.6077 62.9361 38.1398 177.6959 116 A 4.0604 8.2259 123.4945 54.6342 18.3354 177.8230 117 P 4.3294 0.0000 0.0000 65.0077 31.4549 177.4070 118 V 4.1334 7.7179 108.6800 60.9030 32.2496 175.5056 119 A 4.5479 7.4292 123.5648 50.5626 20.3271 177.7356 120 K 4.0953 8.7488 118.9550 59.5698 32.6225 177.8194 121 G 3.9528 7.3668 103.7734 46.4947 0.0000 171.6701 122 Q 5.1379 8.5548 119.3483 54.7427 32.5754 174.7883 123 I 4.5697 8.7259 125.6283 59.5109 40.3231 174.6682 124 V 4.7108 8.4257 126.3014 62.3850 34.1127 175.7528 125 G 3.9495 8.9882 115.4387 45.5244 0.0000 173.5809 126 L 4.4331 7.6669 118.3215 54.1028 42.4415 178.5427 127 G 3.8447 8.0238 109.3364 45.7198 0.0000 174.8730 128 A 4.2386 8.4767 119.0207 54.8779 18.3173 179.3820 129 E 3.9858 8.4250 117.9307 59.3842 29.4245 178.9090 130 G 3.5855 8.2082 105.8545 48.0004 0.0000 175.2111 131 Y 4.1114 7.8417 118.3447 60.9142 37.8651 178.8551 132 K 3.6144 7.8960 118.9318 59.2962 32.1878 179.3409 133 L 4.0371 8.1830 119.2508 57.5768 41.4477 179.4826 134 A 4.0219 8.3167 121.2296 55.0678 18.3738 179.7941 135 V 3.4088 8.1306 117.0411 66.1503 31.5467 178.5616 136 R 4.0402 8.2648 117.9946 59.3001 29.7069 178.2033 137 Y 4.1011 7.7070 119.6672 60.1487 39.1074 177.9738 138 L 3.8275 8.0580 119.7910 57.6747 41.3728 179.5170 139 L 4.2334 7.7342 118.3448 57.4539 41.3445 178.7441 140 S 4.4557 7.8384 112.1667 58.7707 62.9628 174.3992 141 Q 4.1163 7.5281 127.1041 56.2579 28.7621 175.2446 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 P 0.00 4.26 0.00 1.68 2.16 0.00 3.54 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 1.77 2.00 0.00 2 H 7.74 4.95 0.00 3.10 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.17 5.50 0.00 3.00 2.80 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 4 L 8.03 4.44 0.00 0.86 1.17 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.35 4.69 1.52 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.33 0.99 0.00 0.00 6 L 9.08 5.03 0.00 1.68 1.57 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 N 9.16 5.38 0.00 2.64 2.69 0.00 0.00 6.43 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 8 G 9.06 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 0.00 0.00 0.00 0.00 9 P 0.00 4.86 0.00 2.19 2.21 0.00 3.65 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 10 N 9.13 4.26 0.00 2.90 2.91 0.00 0.00 6.69 7.68 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 11 V 7.41 3.56 2.17 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 1.06 0.00 0.00 0.98 0.00 0.00 12 N 8.03 4.44 0.00 2.81 3.01 0.00 0.00 6.00 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 13 R 7.94 4.15 0.00 1.81 1.91 0.00 3.28 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 14 L 7.46 3.79 0.00 1.82 1.65 0.82 1.25 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 15 G 9.06 3.45 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 0.00 0.00 0.00 0.00 16 S 7.55 3.86 0.00 3.95 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 17 R 7.65 4.33 0.00 1.92 1.97 0.00 3.12 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 18 E 8.28 3.68 0.00 2.38 2.52 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 2.25 2.36 0.00 19 P 0.00 5.22 0.00 2.24 2.19 0.00 3.94 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 20 E 8.02 4.15 0.00 1.88 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 2.27 2.33 0.00 21 V 7.56 3.64 1.51 0.00 0.00 0.00 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 0.72 0.00 0.00 22 F 7.87 4.83 0.00 2.94 2.96 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 23 G 8.28 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 24 R 8.27 4.63 0.00 1.81 1.81 0.00 3.28 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 0.00 25 Q 8.01 4.39 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 26 T 7.87 4.93 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 1.19 0.00 0.00 27 L 8.17 3.90 0.00 1.86 1.63 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.71 3.70 4.17 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 1.14 0.00 0.00 29 D 8.21 4.33 0.00 2.79 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 30 I 7.70 3.65 1.70 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 1.52 0.77 0.78 0.00 0.00 31 E 7.96 3.31 0.00 1.71 1.12 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 1.47 2.11 0.00 32 T 7.70 3.80 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 1.20 0.00 0.00 33 D 8.00 4.39 0.00 2.74 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 34 L 8.45 4.18 0.00 1.95 1.99 0.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *35 F 8.47 4.19 0.00 2.26 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 0.00 0.00 0.00 0.00 36 Q 8.61 4.19 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 37 F 8.79 4.10 0.00 3.03 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 38 A 8.63 3.93 1.55 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 39 E 8.14 3.76 0.00 2.33 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 2.34 2.24 0.00 40 A 8.03 4.07 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 41 L 7.42 4.27 0.00 1.70 1.56 0.92 1.00 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 42 H 8.52 3.82 0.00 3.16 3.40 0.00 5.87 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 43 I 7.02 4.71 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.98 0.00 0.00 44 Q 8.79 4.76 0.00 1.75 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 45 L 8.43 5.36 0.00 1.41 1.03 1.12 0.96 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 46 T 8.48 4.71 4.13 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 0.00 0.00 0.00 1.32 0.00 0.00 47 F 8.93 5.23 0.00 2.94 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 48 F 9.09 5.03 0.00 3.10 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 49 Q 7.73 5.30 0.00 1.92 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.44 0.00 0.00 0.00 0.00 0.00 2.20 2.01 0.00 50 S 7.89 4.49 0.00 3.62 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 51 N 8.94 4.68 0.00 2.77 2.78 0.00 0.00 6.92 8.16 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 52 H 8.18 5.09 0.00 3.32 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.85 4.02 0.00 1.99 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 2.36 2.31 0.00 54 G 8.10 3.67 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 0.00 0.00 0.00 55 D 8.04 4.46 0.00 3.00 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 56 L 7.92 4.14 0.00 1.78 1.75 0.92 1.44 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 57 I 7.80 3.63 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.74 0.00 0.00 58 D 8.33 4.33 0.00 2.81 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 59 A 8.12 3.94 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 60 I 7.62 3.66 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.68 0.95 0.00 0.00 61 H 7.96 4.40 0.00 3.26 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.51 4.15 0.00 2.22 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 2.32 2.38 0.00 63 A 7.93 4.33 1.57 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 64 E 8.36 4.06 0.00 2.12 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 2.40 2.50 0.00 65 E 7.48 4.59 0.00 1.98 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 0.00 2.25 2.21 0.00 66 Q 8.42 4.19 0.00 1.57 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.78 0.00 67 Y 7.66 4.97 0.00 2.96 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 68 S 8.34 4.76 0.00 4.00 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 69 G 7.86 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 0.00 0.00 0.00 0.00 70 I 8.04 5.14 1.88 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 1.09 0.79 0.89 0.00 0.00 71 V 8.62 4.59 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 0.97 0.00 0.00 0.89 0.00 0.00 72 L 8.90 5.09 0.00 1.75 1.45 0.99 0.24 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 73 N 9.39 5.21 0.00 2.67 2.96 0.00 0.00 6.82 7.74 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 74 P 0.00 4.46 0.00 2.18 2.21 0.00 3.71 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 1.98 0.00 75 G 8.42 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 76 A 8.54 4.31 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.51 3.21 0.00 1.78 1.47 0.83 0.28 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 78 S 7.77 4.00 0.00 3.90 3.45 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 0.00 79 H 8.02 5.03 0.00 3.51 3.64 0.00 5.70 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 80 Y 7.30 4.65 0.00 2.90 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 81 S 7.85 4.23 0.00 3.49 3.60 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 82 Y 7.93 4.26 0.00 3.16 2.96 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 83 A 8.07 4.05 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 84 I 7.67 3.80 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.88 0.00 0.00 85 R 7.93 3.87 0.00 2.01 2.26 0.00 3.48 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 86 D 8.22 4.42 0.00 2.72 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 87 A 7.85 4.24 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 88 V 7.84 3.59 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 1.04 0.00 0.00 0.94 0.00 0.00 89 S 7.98 4.37 0.00 4.12 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 90 S 7.79 4.48 0.00 4.05 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 0.00 91 I 6.95 4.92 2.09 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 1.15 1.67 1.08 0.00 0.00 92 S 9.13 4.51 0.00 4.00 4.04 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 0.00 0.00 0.00 93 L 7.86 4.38 0.00 1.62 1.73 1.12 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.51 0.00 2.20 2.26 0.00 3.81 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 2.12 2.01 0.00 95 V 8.52 4.87 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 0.96 0.00 0.00 0.95 0.00 0.00 96 V 8.51 4.78 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 0.89 0.00 0.00 0.89 0.00 0.00 97 E 8.89 4.76 0.00 2.06 1.75 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 2.20 2.30 0.00 98 V 8.61 4.74 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 0.40 0.00 0.00 0.75 0.00 0.00 99 H 8.83 4.74 0.00 2.98 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.79 4.04 0.00 1.76 1.78 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.99 4.46 0.00 3.75 3.85 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 0.00 102 N 8.19 4.51 0.00 2.70 2.70 0.00 0.00 6.87 6.66 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 0.00 103 L 7.99 3.77 0.00 0.93 1.45 0.56 0.72 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 0.00 104 Y 7.05 3.89 0.00 2.97 2.80 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 0.00 105 A 7.76 4.55 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 0.00 106 R 7.59 4.78 0.00 1.72 1.71 0.00 2.99 0.00 0.00 3.09 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 107 E 8.47 3.93 0.00 1.50 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 2.52 2.37 0.00 108 E 8.81 3.37 0.00 1.90 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 2.34 2.22 0.00 109 F 7.89 4.23 0.00 3.12 3.15 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 0.00 110 R 6.83 3.36 0.00 1.57 1.65 0.00 2.85 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 111 H 8.09 4.67 0.00 3.20 3.46 0.00 5.61 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 0.00 112 Q 7.81 4.69 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 113 S 8.63 4.89 0.00 3.84 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 0.00 114 V 8.71 4.11 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 0.38 0.00 0.00 0.55 0.00 0.00 115 I 7.51 4.07 1.84 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 1.30 0.65 0.90 0.00 0.00 116 A 8.23 4.06 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 0.00 117 P 0.00 4.33 0.00 2.09 2.16 0.00 3.74 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 2.09 2.15 0.00 118 V 7.72 4.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.00 0.00 0.00 119 A 7.43 4.55 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 0.00 120 K 8.75 4.10 0.00 1.75 1.88 0.00 1.98 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.71 7.81 121 G 7.37 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 0.00 122 Q 8.55 5.14 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.56 0.00 123 I 8.73 4.57 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.54 0.86 0.00 0.00 124 V 8.43 4.71 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 0.54 0.00 0.00 0.88 0.00 0.00 125 G 8.99 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 0.00 0.00 0.00 126 L 7.67 4.43 0.00 1.61 1.66 0.90 0.90 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 0.00 127 G 8.02 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 0.00 0.00 0.00 128 A 8.48 4.24 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 0.00 129 E 8.43 3.99 0.00 2.08 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 2.37 2.43 0.00 130 G 8.21 3.59 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 0.00 0.00 0.00 0.00 131 Y 7.84 4.11 0.00 3.18 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 0.00 132 K 7.90 3.61 0.00 1.69 1.25 0.00 1.46 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.09 7.81 133 L 8.18 4.04 0.00 1.81 1.72 0.91 1.12 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 0.00 134 A 8.32 4.02 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 0.00 135 V 8.13 3.41 2.43 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 1.37 0.00 0.00 1.08 0.00 0.00 136 R 8.26 4.04 0.00 2.15 2.05 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.07 0.00 137 Y 7.71 4.10 0.00 2.98 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 0.00 138 L 8.06 3.83 0.00 1.62 0.85 0.95 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.73 4.23 0.00 1.84 1.79 0.99 0.96 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 0.00 140 S 7.84 4.46 0.00 4.01 4.13 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 0.00 0.00 0.00 0.00 141 Q 7.53 4.12 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.58 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 * Residues marked with a * may have inaccurate shift predictions.