NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1625 8.3149 121.7763 55.6266 33.4585 175.3990 7 K 3.7917 8.0612 125.6900 55.6096 33.3322 174.2464 8 K 5.2059 8.5552 123.6836 54.7600 36.6461 174.0708 9 L 5.3840 9.2485 128.1838 53.4851 45.1943 175.0759 10 S 5.4903 9.3427 122.1399 56.8906 66.5740 173.1536 11 I 4.9253 9.1009 124.0915 59.6692 41.1907 174.4984 12 I 4.2317 8.8176 128.3441 60.5430 38.4095 175.3692 13 V 3.9613 8.3953 129.7312 61.7524 30.3064 175.6951 14 F 4.3767 8.7841 130.1117 60.1230 40.9457 176.1236 15 S 4.4918 8.1602 113.8539 58.4151 63.4475 174.4198 16 G 4.1533 8.3789 108.8467 44.9492 0.0000 173.6134 17 T 4.3402 7.5334 116.7952 62.5696 69.4962 175.4786 18 I 3.6680 8.6490 124.5635 64.1760 37.8341 178.2416 19 D 4.5107 8.0547 118.6928 55.8172 39.4383 177.8245 20 K 4.2649 7.4574 117.3043 57.9698 32.7117 178.3563 21 L 3.7341 7.6493 120.5092 54.1292 41.5013 177.4367 *23 P 4.3493 0.0000 0.0000 62.6425 33.8548 179.4054 24 V 3.6759 7.5920 116.1033 66.0534 31.2762 178.4077 25 G 3.8127 8.2897 105.3541 47.9448 0.0000 175.8220 26 I 3.8450 7.8190 121.9591 64.0459 37.1612 178.3726 27 L 3.9848 8.6141 120.1476 58.0732 41.3972 179.7132 28 T 3.8698 8.0514 115.5892 66.6565 68.4499 176.6286 29 S 4.1974 8.3880 115.2158 61.3439 62.4831 176.4516 30 G 3.5531 8.2018 108.1068 47.7869 0.0000 175.5405 31 A 3.6490 8.2483 123.8013 54.5164 18.4252 179.5203 32 A 3.9984 8.4156 119.4834 55.4225 18.2708 179.7718 33 A 4.0394 7.9363 117.9943 55.2334 18.5463 179.3109 34 S 4.4617 8.0349 111.1804 59.3086 63.0520 175.2639 35 G 4.0056 7.8896 110.2252 45.3218 0.0000 173.4453 36 Y 4.3885 8.0722 116.7017 57.4983 39.0255 175.0124 37 E 4.4489 9.1714 124.0452 55.9433 31.1217 175.3559 38 V 5.0472 9.2517 127.0951 61.2030 34.6340 173.7678 39 N 5.7063 9.4383 124.8352 51.6024 41.9318 173.1856 40 L 5.2166 9.4195 124.1078 52.8692 45.1570 175.3844 41 F 5.1795 8.7282 125.7278 56.3583 41.7176 173.6198 42 F 4.7632 9.0769 126.9030 56.8932 40.1489 175.2426 43 T 4.5862 8.3499 117.5258 59.6765 71.6891 177.7464 44 F 3.1083 8.7417 125.4476 57.9208 39.5554 179.7139 45 W 4.3502 6.9061 131.9914 60.3524 28.1404 177.6681 46 G 3.6691 7.5909 105.4004 47.2038 0.0000 175.2782 47 L 4.1053 7.5764 122.6566 57.9229 42.1588 178.6567 48 Q 3.8558 7.9762 118.8794 59.2394 28.7279 178.1067 49 A 4.3289 8.0265 121.3743 53.3137 18.5495 178.4947 50 I 4.3638 7.4293 111.1270 60.2745 38.2438 175.4765 51 T 4.4345 7.2130 111.5870 61.5643 70.8533 175.4403 52 K 3.7494 8.8820 123.6487 59.7260 31.8844 179.6079 53 R 3.8373 7.8308 117.3806 59.5874 30.1444 178.0985 54 S 4.2426 7.9663 112.6395 61.3754 62.1853 176.0526 55 L 4.0437 7.9269 120.9093 57.5567 41.4376 178.5072 56 N 4.5231 8.0501 113.8996 52.9678 39.2200 175.6314 57 S 4.1200 7.2219 118.0695 59.3971 62.8529 174.7420 58 Q 4.3080 8.4928 123.9735 56.0186 28.5885 175.0327 59 Q 4.2273 7.7684 116.4855 55.4997 29.2581 174.5170 60 P 4.3518 0.0000 0.0000 61.9145 31.8555 174.2655 61 P 4.4806 0.0000 0.0000 63.6050 31.9414 175.1733 62 Q 4.4989 8.5866 119.6303 55.2093 30.2848 174.7871 63 I 4.6302 8.2649 124.6670 59.6885 39.1296 175.3244 64 D 4.3588 8.9426 124.6102 54.5281 41.4411 177.8111 65 K 3.8977 8.7312 125.8748 59.5384 32.2176 177.9878 66 N 4.2292 8.8070 115.6268 55.4011 38.3378 175.0020 67 Y 4.9628 7.5629 115.3785 57.4224 39.3296 176.6959 68 E 4.1016 8.9340 123.2936 60.6294 29.5127 181.0518 69 Q 4.0071 8.1429 114.0296 55.4775 27.8551 179.9179 *71 G 4.1100 8.1647 107.8784 45.9251 0.0000 173.1663 72 P 4.3177 0.0000 0.0000 65.3638 31.8475 176.2802 73 I 3.7535 7.6351 120.7132 61.1235 36.6830 175.9767 *76 Q 4.1922 7.8611 124.2707 56.1543 30.9705 177.3828 77 K 4.1488 7.7908 116.3279 56.6893 31.4579 177.4391 *79 Q 4.3926 8.0975 117.1915 55.7293 30.2287 176.4217 80 E 4.0714 8.0887 116.0420 56.7036 28.8615 176.8618 *82 K 4.1633 7.8022 114.1128 55.6917 33.4343 175.7201 83 Y 4.1277 8.1004 119.7408 56.6732 40.3933 174.5061 84 P 4.7183 0.0000 0.0000 61.6527 31.2391 177.5925 *86 W 5.1177 8.7765 120.3957 57.7586 29.8972 177.4310 87 H 3.7506 6.0721 114.7826 57.8377 27.7470 177.4671 88 Q 3.9142 7.4998 120.5019 58.6880 28.5802 178.2975 89 L 4.0036 7.8015 119.6726 57.6524 41.6934 179.6200 90 V 3.6709 7.8020 118.1170 66.0373 31.4317 177.9331 91 Q 4.1452 8.5080 121.8534 60.0409 28.9370 178.8373 92 Q 4.1961 8.5604 121.9243 60.0987 28.1057 180.1270 93 A 4.2324 8.1086 122.3511 55.1443 18.1844 179.8261 94 K 3.9927 7.8752 116.0604 59.7718 32.1754 179.1157 95 E 4.1180 7.8153 118.1162 59.1119 29.4338 178.7202 96 I 4.1291 7.6111 118.0114 64.6097 38.7082 175.1076 97 G 4.0091 8.6698 107.5070 44.6153 0.0000 171.7703 98 E 4.4346 8.6342 119.4817 54.6750 29.5060 174.9344 99 V 4.9388 8.0868 123.7459 60.4914 34.2947 174.1842 100 K 4.6593 9.1815 127.2501 54.4549 35.4565 175.1066 101 V 4.6818 8.8695 124.7831 61.1793 33.6693 174.2301 102 F 5.6132 9.7369 126.6135 55.7056 42.4662 174.1736 103 A 5.0546 8.9051 123.7455 50.0618 20.3895 175.3347 104 C 4.7617 8.3037 123.3255 59.0390 31.8633 174.8067 105 S 4.4222 9.0338 122.4622 61.6493 63.3082 176.0726 106 T 3.8418 7.9056 117.4870 66.7737 68.5060 178.3542 107 T 3.2351 6.6582 118.2690 62.9985 67.6401 176.4845 *109 E 4.2720 8.3979 121.9541 56.5568 31.4778 178.6163 110 F 4.2168 7.7357 116.0008 59.9563 38.8617 176.1593 111 F 4.7888 8.1121 116.3413 56.3032 39.1213 175.5991 112 G 4.0165 7.5545 108.5594 46.5497 0.0000 173.9300 113 I 4.2765 7.8352 119.0437 59.6430 38.7520 175.8012 114 K 4.6440 8.7620 123.6284 54.0980 35.0015 177.2304 115 R 3.9110 8.6389 120.7539 59.5996 29.9561 178.5648 116 E 4.0416 8.1071 114.1269 59.0299 29.8150 177.4128 117 D 4.5051 8.1918 118.6663 55.4161 41.3148 176.1570 118 L 4.5857 7.4787 119.0532 52.9348 43.1996 176.4808 119 A 3.9637 8.5381 126.7667 53.0091 18.7824 179.7153 120 E 4.0662 8.5742 116.6493 58.6921 29.8952 178.4661 121 F 4.5933 8.0662 110.0452 57.6128 38.3869 175.5395 122 V 3.6587 7.7773 122.7924 63.1218 31.7558 175.3550 123 D 4.5702 8.9196 127.8458 56.9766 41.6012 175.9496 124 D 4.6134 7.6396 114.9507 53.5492 44.9224 174.2443 125 V 4.9369 8.5113 122.1344 61.3866 33.3379 174.9710 126 V 4.6184 9.1663 120.1392 60.2280 37.0056 174.3687 127 G 4.3306 8.3971 109.2695 44.9744 0.0000 174.9894 128 V 3.4536 8.5540 117.8773 66.1310 31.2951 177.6400 129 A 3.9258 7.9511 119.6871 55.4383 18.1618 179.5360 130 T 3.6956 7.7152 113.7552 66.8057 68.5296 176.4951 131 F 3.6782 7.5996 122.5821 60.7091 39.2975 177.2393 132 L 3.8949 8.0628 119.1276 57.8380 41.1934 179.1618 133 D 4.2645 7.7999 117.5594 57.4208 40.8346 178.6151 134 R 3.8336 7.4668 117.7960 59.1175 30.2911 178.0778 135 A 4.0989 7.7649 121.7802 52.4620 18.4094 177.1387 136 E 3.9297 7.1041 117.9989 58.1485 29.8938 177.4073 137 G 3.9256 9.1636 114.2305 45.0194 0.0000 172.3601 138 G 4.3651 7.3647 106.2731 44.4565 0.0000 172.8176 139 T 4.4653 8.5001 116.3784 63.7067 69.7047 174.5714 140 T 5.2463 8.4728 121.4341 61.9295 72.1644 173.2214 141 L 4.9711 9.0343 125.2316 52.8012 46.0460 175.2626 142 F 5.0647 8.9450 123.7407 56.6482 41.4466 175.0974 143 I 4.2538 8.3292 126.7600 61.4150 37.5599 175.6869 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 6 K 8.31 4.16 0.00 1.68 1.74 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.39 7.81 7 K 8.06 3.79 0.00 0.79 0.74 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.67 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.23 1.19 7.81 8 K 8.56 5.21 0.00 1.75 1.57 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 9 L 9.25 5.38 0.00 1.86 1.55 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 10 S 9.34 5.49 0.00 3.78 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 11 I 9.10 4.93 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.83 0.00 0.00 12 I 8.82 4.23 1.79 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.93 0.89 0.00 0.00 13 V 8.40 3.96 1.09 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 0.59 0.00 0.00 0.24 0.00 0.00 14 F 8.78 4.38 0.00 2.54 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 15 S 8.16 4.49 0.00 3.96 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 16 G 8.38 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 0.00 0.00 0.00 17 T 7.53 4.34 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 1.27 0.00 0.00 18 I 8.65 3.67 1.91 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 1.66 1.28 0.93 0.00 0.00 19 D 8.05 4.51 0.00 2.83 2.78 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 20 K 7.46 4.26 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.49 7.81 21 L 7.65 3.73 0.00 1.15 0.40 0.37 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *23 P 0.00 4.35 0.00 2.19 2.13 0.00 3.56 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 24 V 7.59 3.68 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 1.03 0.00 0.00 0.87 0.00 0.00 25 G 8.29 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 0.00 0.00 0.00 26 I 7.82 3.84 1.93 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 1.87 1.06 0.97 0.00 0.00 27 L 8.61 3.98 0.00 1.87 1.70 0.92 0.85 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 8.05 3.87 4.48 0.00 0.00 0.00 0.00 0.00 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 29 S 8.39 4.20 0.00 4.01 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 0.00 30 G 8.20 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 31 A 8.25 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.42 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 33 A 7.94 4.04 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 34 S 8.03 4.46 0.00 4.21 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 0.00 35 G 7.89 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.07 4.39 0.00 2.91 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 37 E 9.17 4.45 0.00 2.06 1.84 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 2.35 2.31 0.00 38 V 9.25 5.05 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 1.09 0.00 0.00 1.02 0.00 0.00 39 N 9.44 5.71 0.00 2.69 2.96 0.00 0.00 6.52 7.11 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 40 L 9.42 5.22 0.00 1.74 1.34 1.09 0.89 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 41 F 8.73 5.18 0.00 1.51 1.69 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 42 F 9.08 4.76 0.00 2.85 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 43 T 8.35 4.59 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 44 F 8.74 3.11 0.00 2.51 1.45 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 45 W 6.91 4.35 0.00 3.33 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 46 G 7.59 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 47 L 7.58 4.11 0.00 1.73 1.70 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.98 3.86 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 49 A 8.03 4.33 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 50 I 7.43 4.36 1.88 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.66 0.00 0.00 51 T 7.21 4.43 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 1.25 0.00 0.00 52 K 8.88 3.75 0.00 1.73 1.85 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.37 1.62 7.81 53 R 7.83 3.84 0.00 1.78 1.95 0.00 3.24 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 54 S 7.97 4.24 0.00 3.97 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 55 L 7.93 4.04 0.00 1.49 1.46 0.57 0.91 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 56 N 8.05 4.52 0.00 2.71 2.82 0.00 0.00 6.98 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 57 S 7.22 4.12 0.00 3.92 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 58 Q 8.49 4.31 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.25 1.94 0.00 59 Q 7.77 4.23 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 60 P 0.00 4.35 0.00 2.18 2.07 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 61 P 0.00 4.48 0.00 2.14 2.21 0.00 3.78 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 2.07 0.00 62 Q 8.59 4.50 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 63 I 8.26 4.63 1.90 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 1.25 0.86 1.04 0.00 0.00 64 D 8.94 4.36 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 65 K 8.73 3.90 0.00 1.70 1.81 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.42 7.81 66 N 8.81 4.23 0.00 1.72 1.90 0.00 0.00 6.77 8.01 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 67 Y 7.56 4.96 0.00 2.93 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 68 E 8.93 4.10 0.00 1.95 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 2.32 2.38 0.00 69 Q 8.14 4.01 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 *71 G 8.16 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.32 0.00 2.19 2.22 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 73 I 7.64 3.75 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 1.30 0.51 0.90 0.00 0.00 *76 Q 7.86 4.19 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.22 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 77 K 7.79 4.15 0.00 1.87 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.40 7.81 *79 Q 8.10 4.39 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.45 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 80 E 8.09 4.07 0.00 2.12 2.20 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 2.34 2.29 0.00 *82 K 7.80 4.16 0.00 1.82 1.86 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.45 7.81 83 Y 8.10 4.13 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.72 0.00 1.94 1.48 0.00 2.63 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 *86 W 8.78 5.12 0.00 3.84 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 H 6.07 3.75 0.00 2.68 1.72 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.50 3.91 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 89 L 7.80 4.00 0.00 2.03 1.91 1.09 0.78 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 90 V 7.80 3.67 2.48 0.00 0.00 0.00 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 1.31 0.00 0.00 91 Q 8.51 4.15 0.00 2.41 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 92 Q 8.56 4.20 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 93 A 8.11 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.88 3.99 0.00 1.98 1.90 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.70 7.81 95 E 7.82 4.12 0.00 2.05 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 2.35 2.46 0.00 96 I 7.61 4.13 2.03 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 1.46 1.04 0.96 0.00 0.00 97 G 8.67 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.63 4.43 0.00 2.09 1.90 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 2.35 2.31 0.00 99 V 8.09 4.94 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 0.90 0.00 0.00 1.01 0.00 0.00 100 K 9.18 4.66 0.00 1.73 1.13 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.56 7.81 101 V 8.87 4.68 1.87 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 0.64 0.00 0.00 0.53 0.00 0.00 102 F 9.74 5.61 0.00 3.36 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 0.00 103 A 8.91 5.05 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 0.00 104 C 8.30 4.76 0.00 2.02 2.51 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 0.00 0.00 0.00 0.00 105 S 9.03 4.42 0.00 4.00 4.01 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 0.00 0.00 0.00 106 T 7.91 3.84 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 0.37 0.00 0.00 107 T 6.66 3.24 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 1.28 0.00 0.00 *109 E 8.40 4.27 0.00 2.06 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 2.27 2.40 0.00 110 F 7.74 4.22 0.00 2.39 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 0.00 0.00 0.00 0.00 111 F 8.11 4.79 0.00 3.02 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 0.00 112 G 7.55 4.02 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 0.00 0.00 0.00 113 I 7.84 4.28 1.89 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 1.44 0.86 0.91 0.00 0.00 114 K 8.76 4.64 0.00 1.79 1.69 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.34 7.81 115 R 8.64 3.91 0.00 1.89 1.95 0.00 3.24 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 116 E 8.11 4.04 0.00 2.37 2.07 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 2.28 1.91 0.00 117 D 8.19 4.51 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.48 4.59 0.00 1.77 1.59 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.54 3.96 0.96 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 0.00 0.00 120 E 8.57 4.07 0.00 2.00 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 2.23 1.87 0.00 121 F 8.07 4.59 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.66 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 0.83 0.00 0.00 0.99 0.00 0.00 123 D 8.92 4.57 0.00 2.27 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.64 4.61 0.00 2.84 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 0.00 125 V 8.51 4.94 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 0.91 0.00 0.00 0.97 0.00 0.00 126 V 9.17 4.62 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 0.73 0.00 0.00 1.07 0.00 0.00 127 G 8.40 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 0.00 0.00 0.00 0.00 128 V 8.55 3.45 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 1.11 0.00 0.00 0.97 0.00 0.00 129 A 7.95 3.93 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 0.00 130 T 7.72 3.70 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 1.03 0.00 0.00 131 F 7.60 3.68 0.00 2.34 2.53 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 0.00 0.00 0.00 0.00 132 L 8.06 3.89 0.00 1.90 1.63 0.92 1.28 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 0.00 133 D 7.80 4.26 0.00 2.72 2.64 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 0.00 134 R 7.47 3.83 0.00 1.58 1.36 0.00 3.14 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 135 A 7.76 4.10 1.17 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 0.00 136 E 7.10 3.93 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 137 G 9.16 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 0.00 0.00 0.00 138 G 7.36 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 0.00 0.00 0.00 0.00 139 T 8.50 4.47 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 1.26 0.00 0.00 140 T 8.47 5.25 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 1.33 0.00 0.00 141 L 9.03 4.97 0.00 1.62 1.57 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 142 F 8.94 5.06 0.00 3.04 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 0.00 143 I 8.33 4.25 1.77 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 1.11 0.56 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.