NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4496 0.0000 0.0000 62.3696 32.8460 176.5958 6 T 3.9110 9.2331 111.4196 61.1223 70.3793 174.1101 7 I 3.6307 8.4411 123.3257 64.6243 37.6220 179.0281 8 N 4.5062 8.2556 117.2962 57.0532 38.4050 176.4404 9 Q 3.9671 8.5857 119.2333 59.1941 28.8991 178.9786 10 L 3.7703 8.4436 120.0928 57.7193 41.3422 179.9524 11 V 3.5854 8.5227 118.5140 65.9873 31.5947 178.1269 12 R 4.0567 8.3613 116.7340 58.9324 30.0705 178.3218 13 K 4.3816 8.9415 116.9061 54.5993 33.7058 176.6410 14 G 3.9851 7.4712 109.1972 44.2258 0.0000 173.3410 15 R 4.1167 8.2389 118.3147 55.6843 30.8042 175.9823 16 E 4.5227 8.2767 119.4853 53.9795 31.0818 175.6383 17 K 4.0729 8.6989 126.7250 56.4025 32.6321 176.5503 18 V 4.3540 8.2297 123.3796 61.0171 33.4393 174.9492 19 R 4.4995 8.3052 125.4556 54.9069 31.5323 176.2430 20 K 4.4008 8.2586 120.2334 55.4769 33.4563 176.4861 21 K 4.4256 8.1719 120.7219 54.8899 33.3932 176.9529 22 S 4.1846 8.4843 117.8165 58.6093 62.8235 173.8791 23 K 4.3814 8.4818 125.1469 56.5657 32.5354 177.5699 24 V 4.4278 7.6202 118.4826 60.9753 31.8683 174.2866 25 P 4.5353 0.0000 0.0000 61.9267 29.9708 176.2800 26 A 3.9210 7.5088 114.2292 53.8097 19.8231 177.8042 27 L 2.8253 8.1989 119.1284 58.1906 42.6060 173.8306 28 K 4.0748 9.5275 117.0277 57.8214 30.7746 174.7456 29 G 3.7455 8.0253 106.5072 45.9363 0.0000 174.7566 30 A 4.3277 7.5466 123.7598 50.5328 19.6785 176.5922 31 P 4.1320 0.0000 0.0000 65.0916 31.7977 176.6848 32 F 5.1743 7.5631 114.9592 55.8888 43.2723 174.0096 33 R 4.7072 8.7034 120.9735 54.6724 33.5986 174.1721 34 R 4.8757 8.7502 125.9143 56.2680 32.2327 175.2231 35 G 4.2480 8.8954 110.6664 45.8081 0.0000 171.4398 36 V 5.0875 8.7348 118.7045 61.0519 35.2577 174.6263 37 C 4.7620 8.5637 124.2614 60.3325 28.2215 173.5752 38 T 4.1997 9.2259 122.1573 65.5775 68.4631 175.1620 39 V 4.5172 7.6298 119.9407 60.4042 35.6262 174.5040 40 V 4.5948 7.9758 123.1902 61.9957 31.3834 175.1607 41 R 4.2177 7.9836 120.3303 56.9867 30.8806 174.2381 42 T 4.9063 8.2196 111.4542 60.7665 70.5828 173.5134 43 V 4.7215 9.6111 127.2097 61.3886 35.7419 173.8923 44 T 5.2378 8.2400 114.3427 58.9159 70.4592 172.7038 45 P 4.5666 0.0000 0.0000 62.5835 32.6763 175.2054 46 K 3.9770 8.9905 121.2974 57.7371 34.0205 180.4190 47 K 3.9735 8.5467 120.9324 55.0616 34.7150 173.7168 48 P 4.2833 0.0000 0.0000 65.6198 31.8008 177.1274 49 N 4.8160 7.9750 114.6307 52.1340 40.0523 174.3970 50 S 4.5735 7.6715 113.6030 57.4941 65.3276 173.0332 51 A 4.1975 8.0722 127.5336 52.3718 22.2869 175.1511 52 L 4.8718 8.4129 119.3023 53.1595 40.9040 175.6843 53 R 4.1828 9.0971 123.9232 55.9729 31.4718 175.3535 54 K 4.4198 8.4781 125.7127 56.3911 33.1853 176.0769 55 V 4.6464 7.9087 121.1928 62.1807 35.6325 173.2692 56 A 4.8455 8.6463 121.8620 50.4934 23.0912 175.2372 57 K 4.6309 9.0365 123.6501 55.2401 33.9595 175.4578 58 V 4.8674 9.8601 127.6696 61.0572 34.6518 174.0422 59 R 4.7812 9.1083 129.1856 55.3870 31.1618 175.3875 60 L 4.9834 10.6360 126.9006 53.9721 42.9530 178.5559 61 T 3.9504 8.8945 112.8131 64.6136 68.8919 175.6441 62 S 4.4472 8.2000 114.7212 57.8928 62.7092 173.8207 63 G 4.0652 7.9295 107.5507 47.5179 0.0000 173.3513 64 Y 4.7148 7.8791 114.6276 55.6004 42.1441 174.8556 65 E 5.0924 8.8436 122.0940 54.9091 31.2628 174.9916 66 V 4.8379 9.0241 120.3212 59.6621 36.5617 174.7776 67 T 4.6899 8.6126 112.1159 61.0262 70.3404 173.9760 68 A 5.1336 9.2804 126.0139 50.2499 22.8674 174.8764 69 Y 4.3807 9.2488 122.1134 57.6665 40.5327 174.5515 70 I 4.6214 6.4750 124.7562 57.9647 37.3563 173.6311 71 P 4.7053 0.0000 0.0000 63.6162 32.0252 178.0384 72 G 3.9802 8.9637 103.9964 45.8043 0.0000 173.8707 73 E 4.0059 8.4404 118.6748 59.1675 29.8756 178.6815 74 G 3.8685 7.7850 104.8963 46.5959 0.0000 170.2503 75 H 5.0471 7.7221 127.7348 55.9785 32.2002 175.5554 76 N 5.1049 8.3257 126.2719 52.0631 37.1139 174.1545 77 L 4.7747 7.8221 116.6465 53.7474 44.7941 176.4563 78 Q 4.6843 9.0111 121.1191 53.5276 32.2124 176.0705 79 E 4.1075 8.6632 115.9413 58.1103 29.4015 177.3534 80 H 4.8259 8.8186 110.7250 56.6523 32.6605 173.6423 81 S 4.4961 8.1855 116.8069 58.5491 63.9723 173.4266 82 V 4.4682 10.4486 126.5602 62.4808 32.4499 175.2607 83 V 5.1022 9.1547 126.7603 60.1771 35.7635 173.6932 84 L 4.9832 8.3839 123.2759 53.4399 43.9515 175.4260 85 I 4.7220 8.8379 128.4418 61.2130 38.2963 176.6303 86 R 4.8371 9.1927 120.9352 55.0299 30.5598 173.5492 87 G 4.0710 8.8133 113.1157 45.7450 0.0000 171.9107 88 G 3.3580 7.7595 108.6723 43.8668 0.0000 174.2720 89 R 4.2183 8.1622 122.9529 54.9261 31.4182 175.9263 90 V 4.0444 7.7990 117.8041 60.6763 31.8166 176.2746 91 K 3.9568 8.6025 129.4446 58.9609 32.4737 177.0979 92 D 4.5347 7.9626 117.3328 55.1107 41.6856 175.3206 93 L 4.5165 7.5149 118.9606 51.4093 42.0423 173.3436 94 P 4.3397 0.0000 0.0000 64.3596 31.7215 177.1662 95 G 3.9225 9.2019 110.4466 44.9813 0.0000 172.9520 96 V 4.3616 7.8037 119.9314 61.2999 32.9597 175.6314 97 R 4.5035 8.5077 123.8771 55.6179 31.9983 174.2413 98 Y 5.2522 7.6186 115.2629 56.6699 42.5394 174.0245 99 H 5.2920 9.0295 118.9557 54.5366 31.9340 173.6763 100 I 4.7247 8.4408 121.7092 60.2084 39.0601 175.8853 101 V 3.9310 8.7216 127.0589 62.0622 32.7710 175.4447 102 R 4.0992 8.7088 128.4385 56.8363 30.1331 175.8728 103 G 3.4282 7.2280 113.4917 44.8204 0.0000 173.1570 104 V 4.1182 7.1338 120.4909 61.8772 34.6476 174.3963 105 Y 4.0253 8.3649 123.2711 59.6922 35.3296 170.5764 106 D 4.4685 9.3486 127.2389 56.0527 40.9615 176.2092 107 A 4.3949 7.6967 123.6782 50.1726 18.3272 176.9583 108 A 4.2343 9.1028 125.6370 53.0032 19.1009 177.1390 109 G 4.3356 8.5363 108.3617 44.9298 0.0000 173.4892 110 V 3.5376 7.8319 123.2522 62.0612 31.5049 175.6269 111 K 4.2065 8.8598 128.9738 56.0947 34.0441 175.9059 112 D 4.8785 8.5549 121.7221 55.1331 38.4662 173.4395 113 R 4.2668 7.4180 119.2858 55.5384 30.4697 176.1371 114 K 4.5981 8.5928 123.2393 56.1764 36.0548 177.0689 115 K 4.0296 8.3723 117.9102 57.7577 30.4898 179.6104 116 S 4.6321 9.4299 120.2468 60.0604 63.2284 177.1295 117 R 3.9617 9.1375 123.8600 59.5650 30.0580 178.9851 118 S 4.1269 8.4158 112.1593 61.1622 62.9548 174.7793 119 K 3.9530 7.6537 119.2484 56.9695 31.9893 177.0540 120 Y 3.8304 8.2268 118.6101 57.1441 36.3065 168.5849 121 G 4.5929 7.4166 106.0339 45.3522 0.0000 171.4325 122 T 4.5334 8.4022 114.0085 61.5298 71.1794 174.8297 123 K 4.0693 8.5826 126.1080 55.8689 32.7533 177.0330 124 K 4.0414 8.4507 123.3524 55.9316 32.6711 174.7945 125 P 4.5588 0.0000 0.0000 61.4271 32.5189 175.8734 126 K 4.1049 8.4465 120.4150 56.5412 32.6108 176.2866 127 E 4.2129 8.5952 122.6139 55.3488 30.6971 175.9677 128 A 4.0296 8.2043 119.9705 51.5764 22.0073 175.9330 *129 A 4.1172 8.8014 125.2722 52.4389 18.9464 176.2126 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 5 P 0.00 4.45 0.00 2.19 2.12 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 9.23 3.91 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 1.27 0.00 0.00 7 I 8.44 3.63 1.87 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 1.52 1.09 0.91 0.00 0.00 8 N 8.26 4.51 0.00 2.82 2.83 0.00 0.00 7.15 7.12 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 9 Q 8.59 3.97 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 L 8.44 3.77 0.00 1.80 1.72 0.99 0.82 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 11 V 8.52 3.59 2.28 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 0.83 0.00 0.00 0.98 0.00 0.00 12 R 8.36 4.06 0.00 1.90 1.97 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 13 K 8.94 4.38 0.00 1.56 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.42 7.81 14 G 7.47 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 0.00 0.00 0.00 15 R 8.24 4.12 0.00 1.81 1.89 0.00 3.31 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.28 4.52 0.00 1.87 1.81 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 2.16 2.28 0.00 17 K 8.70 4.07 0.00 1.78 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.42 7.81 18 V 8.23 4.35 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 0.83 0.00 0.00 1.06 0.00 0.00 19 R 8.31 4.50 0.00 1.83 1.83 0.00 3.25 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 20 K 8.26 4.40 0.00 1.73 1.72 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.38 7.81 21 K 8.17 4.43 0.00 1.72 1.72 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.48 7.81 22 S 8.48 4.18 0.00 3.82 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 23 K 8.48 4.38 0.00 1.70 1.72 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.37 7.81 24 V 7.62 4.43 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 1.01 0.00 0.00 0.83 0.00 0.00 25 P 0.00 4.54 0.00 2.05 2.01 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 26 A 7.51 3.92 1.20 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 0.00 0.00 0.00 27 L 8.20 2.83 0.00 1.63 1.59 1.09 0.66 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 28 K 9.53 4.07 0.00 1.83 2.00 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.43 7.81 29 G 8.03 3.75 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 0.00 0.00 0.00 30 A 7.55 4.33 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 31 P 0.00 4.13 0.00 1.35 1.93 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 32 F 7.56 5.17 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 33 R 8.70 4.71 0.00 1.80 1.65 0.00 3.16 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 34 R 8.75 4.88 0.00 2.13 1.82 0.00 2.64 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 35 G 8.90 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 0.00 0.00 0.00 0.00 36 V 8.73 5.09 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 0.99 0.00 0.00 0.91 0.00 0.00 37 C 8.56 4.76 0.00 3.09 2.85 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 38 T 9.23 4.20 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 1.24 0.00 0.00 39 V 7.63 4.52 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 1.10 0.00 0.00 0.93 0.00 0.00 40 V 7.98 4.59 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 0.94 0.00 0.00 0.91 0.00 0.00 41 R 7.98 4.22 0.00 1.94 1.87 0.00 3.21 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 42 T 8.22 4.91 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 1.22 0.00 0.00 43 V 9.61 4.72 2.14 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 1.06 0.00 0.00 0.96 0.00 0.00 44 T 8.24 5.24 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 1.23 0.00 0.00 45 P 0.00 4.57 0.00 2.04 2.25 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 46 K 8.99 3.98 0.00 1.87 1.92 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.37 7.81 47 K 8.55 3.97 0.00 1.80 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.51 7.81 48 P 0.00 4.28 0.00 2.21 2.21 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 49 N 7.97 4.82 0.00 2.80 2.79 0.00 0.00 6.76 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.67 4.57 0.00 3.84 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 51 A 8.07 4.20 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 52 L 8.41 4.87 0.00 1.54 1.63 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.10 4.18 0.00 2.03 1.92 0.00 3.18 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.95 0.00 54 K 8.48 4.42 0.00 1.36 1.53 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.51 7.81 55 V 7.91 4.65 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 0.80 0.00 0.00 1.05 0.00 0.00 56 A 8.65 4.85 1.21 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 57 K 9.04 4.63 0.00 1.90 1.80 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 58 V 9.86 4.87 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 1.03 0.00 0.00 0.95 0.00 0.00 59 R 9.11 4.78 0.00 1.89 1.80 0.00 3.13 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 60 L 10.64 4.98 0.00 1.90 1.67 0.91 0.50 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 61 T 8.89 3.95 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 1.22 0.00 0.00 62 S 8.20 4.45 0.00 4.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.93 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 64 Y 7.88 4.71 0.00 2.83 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 65 E 8.84 5.09 0.00 1.93 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 2.20 2.44 0.00 66 V 9.02 4.84 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 0.91 0.00 0.00 0.74 0.00 0.00 67 T 8.61 4.69 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 68 A 9.28 5.13 1.33 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 0.00 0.00 69 Y 9.25 4.38 0.00 2.96 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 70 I 6.47 4.62 1.51 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.47 0.66 0.00 0.00 71 P 0.00 4.71 0.00 2.54 2.43 0.00 3.82 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 72 G 8.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.44 4.01 0.00 1.90 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 0.00 2.29 2.27 0.00 74 G 7.79 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 75 H 7.72 5.05 0.00 3.19 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.33 5.10 0.00 2.82 2.80 0.00 0.00 6.12 7.79 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 77 L 7.82 4.77 0.00 1.76 1.64 0.84 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 78 Q 9.01 4.68 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 79 E 8.66 4.11 0.00 1.89 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 2.19 2.44 0.00 80 H 8.82 4.83 0.00 3.01 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.19 4.50 0.00 3.81 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 82 V 10.45 4.47 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 0.56 0.00 0.00 0.91 0.00 0.00 83 V 9.15 5.10 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 0.77 0.00 0.00 0.99 0.00 0.00 84 L 8.38 4.98 0.00 1.41 1.27 1.07 0.41 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 85 I 8.84 4.72 2.04 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.24 0.88 0.00 0.00 86 R 9.19 4.84 0.00 2.15 2.26 0.00 3.26 0.00 0.00 3.35 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 87 G 8.81 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 88 G 7.76 3.36 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 0.00 89 R 8.16 4.22 0.00 2.03 1.80 0.00 3.04 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 90 V 7.80 4.04 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 0.80 0.00 0.00 0.32 0.00 0.00 91 K 8.60 3.96 0.00 1.70 1.80 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.39 7.81 92 D 7.96 4.53 0.00 2.78 2.68 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 93 L 7.51 4.52 0.00 1.71 1.62 1.08 1.02 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 94 P 0.00 4.34 0.00 2.04 2.01 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 95 G 9.20 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 96 V 7.80 4.36 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 1.12 0.00 0.00 1.02 0.00 0.00 97 R 8.51 4.50 0.00 0.99 1.32 0.00 3.09 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 98 Y 7.62 5.25 0.00 2.95 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 99 H 9.03 5.29 0.00 3.19 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.44 4.72 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 1.17 0.72 0.93 0.00 0.00 101 V 8.72 3.93 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 0.77 0.00 0.00 0.92 0.00 0.00 102 R 8.71 4.10 0.00 1.99 2.05 0.00 3.35 0.00 0.00 3.56 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 103 G 7.23 3.43 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 0.00 104 V 7.13 4.12 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.61 0.00 0.00 105 Y 8.36 4.03 0.00 3.22 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 9.35 4.47 0.00 2.83 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 0.00 107 A 7.70 4.39 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 0.00 108 A 9.10 4.23 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 0.00 109 G 8.54 4.34 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 0.00 110 V 7.83 3.54 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 0.64 0.00 0.00 0.96 0.00 0.00 111 K 8.86 4.21 0.00 1.92 1.64 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.53 7.81 112 D 8.55 4.88 0.00 2.84 2.71 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 0.00 0.00 0.00 0.00 113 R 7.42 4.27 0.00 1.92 1.85 0.00 3.39 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 114 K 8.59 4.60 0.00 1.75 1.81 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.41 7.81 115 K 8.37 4.03 0.00 1.83 1.57 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.45 7.81 116 S 9.43 4.63 0.00 4.16 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 0.00 117 R 9.14 3.96 0.00 1.83 2.22 0.00 3.27 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 118 S 8.42 4.13 0.00 3.99 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 0.00 119 K 7.65 3.95 0.00 1.48 1.22 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.33 7.81 120 Y 8.23 3.83 0.00 3.31 3.20 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 0.00 121 G 7.42 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.40 4.53 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 1.34 0.00 0.00 123 K 8.58 4.07 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.44 7.81 124 K 8.45 4.04 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 125 P 0.00 4.56 0.00 2.22 2.03 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 126 K 8.45 4.10 0.00 1.87 1.89 0.00 1.45 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.49 7.81 127 E 8.60 4.21 0.00 2.10 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 2.26 2.30 0.00 128 A 8.20 4.03 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 *129 A 8.80 4.12 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 * Residues marked with a * may have inaccurate shift predictions.