NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2021 8.2649 123.5741 51.8652 19.9069 175.8650 3 L 4.7915 8.0594 122.2855 52.5822 44.2331 174.9413 4 F 5.0873 9.1725 120.7268 55.5769 43.3265 174.1470 5 S 5.0810 8.8776 116.5289 58.1033 63.8218 173.7915 6 A 4.5501 9.4163 124.6895 51.4075 19.3100 176.9456 7 Q 5.0759 7.7222 123.6460 55.2553 31.1264 173.2176 8 S 4.2350 8.1996 119.7460 57.6182 63.6171 172.1681 9 P 4.7094 0.0000 0.0000 63.0896 32.7166 174.6016 10 Y 4.7273 8.6482 117.9426 56.7622 39.5604 175.0339 11 I 4.8338 8.4182 124.3920 60.2552 39.9366 175.6381 12 N 4.4665 9.0353 123.3813 52.6241 36.5912 173.1822 13 P 4.4048 0.0000 0.0000 62.1724 32.5512 176.4307 14 I 3.8321 8.2975 122.4125 61.3007 37.3056 175.9683 15 I 4.0742 8.2515 127.4694 60.1251 37.6525 173.9848 16 P 4.5883 0.0000 0.0000 63.0325 31.6840 175.3597 17 F 4.9301 9.3335 127.3687 56.9048 42.0972 174.5847 18 T 4.5491 6.7044 119.9770 61.9928 72.2210 173.3897 19 G 4.0608 8.4549 112.6248 43.7469 0.0000 170.6305 20 P 5.0104 0.0000 0.0000 62.8984 32.6056 175.8706 21 I 4.2100 8.5423 122.9136 59.2295 39.1386 175.1363 22 Q 4.0136 8.4315 129.1447 57.6827 29.0691 177.5079 23 G 3.8057 9.2346 112.6197 45.0659 0.0000 174.1770 24 G 4.0808 7.9205 105.3315 44.6431 0.0000 173.3752 25 L 4.2288 8.0730 118.9516 55.3888 42.3077 177.2147 26 Q 4.6288 8.0057 117.3487 54.2852 31.4253 173.5692 27 E 3.7957 8.4745 120.5667 57.8585 29.9372 177.4307 28 G 3.9401 9.2479 114.9263 44.9379 0.0000 173.2564 29 L 4.3271 7.9010 123.4743 55.1231 43.3876 175.2239 30 Q 5.1508 9.7288 128.4465 54.4033 31.6337 173.9848 31 V 4.7582 9.1826 127.4215 61.6696 33.7467 174.2170 32 T 5.1711 8.6300 124.9944 61.7510 71.4208 173.1573 33 L 5.0277 9.4612 126.7136 52.9150 44.6915 175.0527 34 Q 4.3738 7.7311 125.5144 54.3364 31.3789 174.8565 35 G 3.5709 6.5636 111.6253 46.1106 0.0000 171.4135 36 T 5.0307 8.3251 115.9515 61.7428 72.3190 174.1033 37 T 4.3739 8.6818 123.6429 63.1472 69.8645 174.7145 38 K 4.3414 8.6883 125.8601 56.4543 32.8954 178.5942 39 S 3.9798 8.7065 118.1084 60.9616 62.8621 175.2704 40 F 4.7629 7.7217 117.1199 56.5171 39.9250 174.7356 41 A 4.1119 7.4721 122.9746 53.3351 18.7814 178.1663 42 Q 4.7447 8.6937 119.3933 57.3741 31.8637 175.8222 43 R 5.2743 7.9490 114.8380 55.8878 35.1420 174.0620 44 F 5.3315 7.7689 115.4956 55.7288 42.4533 172.9980 45 V 4.7970 9.1921 117.9501 61.2998 35.1530 173.6778 46 V 4.7244 9.0771 127.8473 61.1553 34.1228 173.6776 47 N 5.3023 9.0335 125.5634 51.4088 41.9444 173.6494 48 F 4.9173 9.2476 123.0452 56.1206 40.7204 174.6671 49 Q 4.9073 8.8691 122.1753 54.5433 31.9984 174.4855 50 N 4.8144 8.6546 117.5210 54.7615 38.1744 175.6473 51 S 4.7857 7.1337 110.5084 57.1174 64.9111 175.0402 *54 G 3.8820 8.0063 109.2658 45.5015 0.0000 173.8393 55 N 4.3739 8.1069 118.9044 55.8486 39.9865 173.9466 56 D 5.1289 8.0563 119.5471 52.6432 43.8099 175.5400 57 I 4.5211 8.2210 125.7386 59.2768 38.6890 176.4816 58 A 4.3308 8.7105 130.2763 54.8044 19.2722 177.7511 59 F 5.2407 8.2655 117.8101 57.5097 43.1708 172.6550 60 H 5.4026 9.5732 126.2894 53.3631 32.6411 171.9080 61 F 4.7669 8.9530 128.8222 56.5359 41.8032 173.4445 62 N 4.9948 7.7407 124.4984 49.8669 40.0948 170.6234 63 P 4.1017 0.0000 0.0000 61.6374 33.1769 175.1318 64 R 4.4613 8.1697 122.4589 53.5337 33.2214 176.2770 65 F 4.4988 8.7478 127.7857 57.0755 36.8692 175.3556 66 E 4.7628 7.3329 118.3347 55.4377 33.5073 176.1102 67 E 3.9382 10.1037 117.7635 57.6618 27.0491 176.0295 68 G 3.8900 8.3989 107.2537 44.6444 0.0000 174.2891 69 G 3.7907 9.8687 109.3292 46.1712 0.0000 172.2847 70 Y 5.0881 7.8464 121.4265 56.1778 42.3049 173.5025 71 V 4.3828 8.6362 118.9867 60.9485 35.1418 174.0681 72 V 4.6835 8.1818 127.7297 61.7084 33.1285 174.0480 73 C 5.5404 8.8419 125.9588 57.7570 30.8496 172.4477 74 N 5.3837 8.2272 119.3913 53.5515 42.5048 172.6362 75 T 5.5480 8.9047 116.8219 61.6482 73.2530 173.0475 76 K 4.6872 9.2368 125.4691 54.6199 35.2575 174.7781 77 Q 4.9226 8.8473 126.1774 54.7291 32.2030 175.6897 78 N 4.0849 10.6121 122.6096 54.3702 36.7606 175.4831 79 G 3.7741 7.8358 104.1708 45.4217 0.0000 173.4127 80 Q 4.4670 8.2665 120.6709 53.5901 30.1726 174.8696 81 W 4.8033 8.6097 123.7204 56.7807 29.8768 177.0352 82 G 4.2324 8.9220 112.7769 44.7776 0.0000 170.9968 83 P 4.6724 0.0000 0.0000 62.8508 31.8745 176.3093 84 E 4.5599 8.8544 122.5141 56.2312 30.9043 175.8375 85 E 4.6801 9.3258 122.9186 54.9283 31.9460 175.0831 86 R 5.0295 8.6301 124.1606 54.3576 32.3301 175.7946 87 K 4.2118 8.8292 126.3838 54.7121 33.1181 176.9492 88 M 4.6566 8.2282 132.4082 53.1270 30.7017 175.6480 89 Q 4.5409 7.4314 115.1699 55.3818 31.6944 174.5030 90 M 4.2960 8.4741 119.7862 53.3775 32.7222 173.7210 91 P 4.2005 0.0000 0.0000 63.2541 32.1212 176.0461 92 F 4.7930 7.4603 117.5117 56.3262 41.0353 174.8451 93 Q 4.7094 8.5018 119.4427 53.9332 32.2873 175.1964 94 K 3.9052 8.3863 122.3328 57.9458 32.4617 177.3076 95 G 3.9191 8.8773 112.3343 45.2553 0.0000 173.1941 96 M 4.7246 7.6791 119.6580 52.9022 34.1595 174.3658 97 P 4.7410 0.0000 0.0000 63.0807 32.6125 175.1709 98 F 5.2091 8.3723 114.8180 55.5176 41.8996 172.5342 99 E 5.0010 10.1011 121.4245 54.3634 32.2099 174.2173 100 L 5.4212 9.3060 129.0918 53.5391 45.0345 174.5919 101 C 5.2874 8.9271 124.2098 57.8874 31.7446 172.9541 102 F 5.2120 9.4276 122.5429 55.7398 41.3435 174.0824 103 L 5.0045 9.1477 127.3432 53.3423 43.9762 175.5854 104 V 3.8404 8.6545 127.6339 62.6979 30.5741 175.2318 105 Q 4.4996 8.5066 127.9905 53.9221 31.3068 177.1119 106 R 4.1051 8.7568 119.6886 59.4692 30.2055 177.2306 107 S 4.7656 8.0051 111.5082 58.5099 64.8980 173.0201 108 E 4.8721 7.3301 115.6758 54.6920 33.4673 174.2914 109 F 4.7739 9.0179 120.0492 57.2333 40.5143 174.8145 110 K 5.0997 9.3400 123.4821 54.9045 34.5306 175.4599 111 V 4.8694 8.9732 124.9582 61.2204 33.9791 174.0722 112 M 5.1754 8.8078 125.3537 53.4647 34.6307 174.9328 113 V 4.4554 8.3618 120.5631 61.2500 34.4225 175.3745 114 N 4.1118 10.2669 128.2538 54.6444 36.3118 175.0009 115 K 3.9999 8.3154 111.4782 56.8516 30.1357 176.2244 116 K 4.6770 7.7763 117.9256 53.9154 35.4391 175.6895 117 F 4.3773 9.0316 124.6459 59.2827 39.7120 173.0093 118 F 4.6807 8.6015 128.8291 59.2682 40.7319 175.4730 119 V 4.1586 6.7156 109.2448 59.8799 36.3225 173.2421 120 Q 5.3571 8.7147 120.2430 54.7863 32.0193 175.2820 121 Y 4.6161 8.7799 122.6006 56.3258 41.7452 174.2177 122 Q 4.4082 8.3593 126.4881 55.7423 29.7221 176.3567 123 H 4.3011 8.3660 120.9470 56.7069 29.1038 175.7080 124 R 4.3161 8.7390 123.2658 57.2044 30.9163 176.8860 125 V 4.6219 7.4709 108.4963 58.3508 35.4308 173.5345 126 P 4.3489 0.0000 0.0000 62.6301 31.9978 177.4720 127 Y 4.4841 7.8243 118.7935 59.5182 38.4645 177.6457 128 H 4.3132 7.6879 117.4006 58.7726 28.8712 176.2352 129 L 4.1981 7.4850 115.8091 55.7896 41.8925 176.7138 130 V 4.4259 7.9439 121.2635 61.8099 32.6673 175.5672 131 D 4.9503 8.7753 125.9925 53.0656 41.5176 174.9024 132 T 5.1410 7.9948 114.9690 62.6642 73.3021 172.2035 133 I 4.5256 8.8620 126.1648 59.1056 40.6678 173.9890 134 A 5.2025 8.7659 130.4055 50.1225 22.3700 174.9507 135 V 4.9759 8.7873 121.1923 61.4546 35.4832 174.5061 136 S 4.5420 9.2378 120.3326 58.4045 66.7953 173.6287 137 G 3.8872 8.7181 104.9952 44.6036 0.0000 173.2498 138 C 4.6945 8.8815 113.5003 58.0852 26.1299 172.2213 139 L 5.0361 7.3853 120.0359 54.3859 43.9549 176.1129 140 K 4.7013 9.4510 118.1101 54.9654 36.2145 174.9122 141 L 4.7754 8.0594 120.5134 53.2450 44.2722 177.6864 142 S 4.4000 8.9625 120.8469 61.4269 64.0744 174.0454 143 F 5.2405 7.0023 111.5198 56.2884 40.9826 173.0848 144 I 5.2835 8.7710 120.2296 59.9355 40.6495 174.9840 145 T 4.8639 9.0317 117.2676 59.8574 72.3830 173.2154 146 F 5.4157 8.5715 119.9495 56.0233 42.4926 174.1527 147 Q 5.1917 9.4665 122.0096 54.5064 33.4905 174.0252 148 T 4.9677 9.3343 116.5115 60.5877 70.4029 174.8542 149 Q 4.4494 9.0180 127.2552 58.7545 29.5241 176.6113 150 N 4.5802 8.2422 118.6958 52.5046 37.5989 178.7520 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 2 A 8.26 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.06 4.79 0.00 1.53 1.56 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 4 F 9.17 5.09 0.00 2.97 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 5 S 8.88 5.08 0.00 3.94 3.90 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 6 A 9.42 4.55 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 7 Q 7.72 5.08 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 8 S 8.20 4.23 0.00 3.98 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 0.00 9 P 0.00 4.71 0.00 2.07 2.06 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 10 Y 8.65 4.73 0.00 2.95 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 11 I 8.42 4.83 1.91 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 1.38 0.63 0.95 0.00 0.00 12 N 9.04 4.47 0.00 2.75 2.88 0.00 0.00 6.99 7.93 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 13 P 0.00 4.40 0.00 1.52 1.45 0.00 3.87 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 14 I 8.30 3.83 1.94 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 1.48 0.85 0.94 0.00 0.00 15 I 8.25 4.07 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.91 0.00 0.00 16 P 0.00 4.59 0.00 2.06 2.08 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 17 F 9.33 4.93 0.00 3.26 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 18 T 6.70 4.55 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 1.03 0.00 0.00 19 G 8.45 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 0.00 0.00 0.00 20 P 0.00 5.01 0.00 2.13 2.11 0.00 3.81 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 2.16 2.07 0.00 21 I 8.54 4.21 1.97 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.89 0.00 0.00 22 Q 8.43 4.01 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 23 G 9.23 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 24 G 7.92 4.08 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 0.00 0.00 0.00 25 L 8.07 4.23 0.00 2.16 1.61 1.17 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.01 4.63 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 27 E 8.47 3.80 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 28 G 9.25 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 0.00 0.00 0.00 29 L 7.90 4.33 0.00 1.91 1.61 1.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 9.73 5.15 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 31 V 9.18 4.76 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 1.01 0.00 0.00 1.32 0.00 0.00 32 T 8.63 5.17 4.38 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 1.34 0.00 0.00 33 L 9.46 5.03 0.00 1.74 1.63 1.26 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.73 4.37 0.00 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 35 G 6.56 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.33 5.03 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 1.21 0.00 0.00 37 T 8.68 4.37 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 38 K 8.69 4.34 0.00 1.74 1.74 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.42 7.81 39 S 8.71 3.98 0.00 3.48 3.38 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 40 F 7.72 4.76 0.00 3.00 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 41 A 7.47 4.11 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 42 Q 8.69 4.74 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 43 R 7.95 5.27 0.00 1.68 1.62 0.00 3.28 0.00 0.00 3.19 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.39 0.00 44 F 7.77 5.33 0.00 3.14 3.10 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 0.00 45 V 9.19 4.80 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 0.91 0.00 0.00 0.96 0.00 0.00 46 V 9.08 4.72 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 0.31 0.00 0.00 1.19 0.00 0.00 47 N 9.03 5.30 0.00 2.52 2.65 0.00 0.00 6.45 8.08 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 48 F 9.25 4.92 0.00 2.95 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.87 4.91 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 50 N 8.65 4.81 0.00 2.83 2.78 0.00 0.00 6.97 7.51 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 51 S 7.13 4.79 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 G 8.01 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 55 N 8.11 4.37 0.00 2.78 2.76 0.00 0.00 7.01 8.49 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 56 D 8.06 5.13 0.00 2.59 2.55 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 57 I 8.22 4.52 1.83 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 1.18 0.63 1.18 0.00 0.00 58 A 8.71 4.33 1.61 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 0.00 0.00 59 F 8.27 5.24 0.00 2.90 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 9.57 5.40 0.00 3.60 3.58 0.00 5.81 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.95 4.77 0.00 2.41 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 62 N 7.74 4.99 0.00 2.23 2.19 0.00 0.00 7.07 7.93 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 63 P 0.00 4.10 0.00 0.71 1.16 0.00 2.42 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.09 0.00 64 R 8.17 4.46 0.00 0.67 1.36 0.00 2.41 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.17 0.00 65 F 8.75 4.50 0.00 2.98 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 66 E 7.33 4.76 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 67 E 10.10 3.94 0.00 2.26 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 2.25 2.36 0.00 68 G 8.40 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 69 G 9.87 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 0.00 0.00 0.00 70 Y 7.85 5.09 0.00 3.23 2.98 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 71 V 8.64 4.38 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 0.26 0.00 0.00 0.83 0.00 0.00 72 V 8.18 4.68 1.85 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 0.86 0.00 0.00 0.94 0.00 0.00 73 C 8.84 5.54 0.00 2.97 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 0.00 0.00 0.00 0.00 74 N 8.23 5.38 0.00 2.76 2.76 0.00 0.00 6.95 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.90 5.55 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 76 K 9.24 4.69 0.00 0.79 1.06 0.00 0.61 0.00 0.00 1.44 0.00 0.00 2.55 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.93 0.26 7.81 77 Q 8.85 4.92 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 5.92 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 78 N 10.61 4.08 0.00 2.70 2.79 0.00 0.00 7.13 8.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.84 3.77 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 0.00 0.00 0.00 80 Q 8.27 4.47 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 81 W 8.61 4.80 0.00 3.20 3.11 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 82 G 8.92 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 0.00 0.00 0.00 0.00 83 P 0.00 4.67 0.00 2.15 2.13 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 84 E 8.85 4.56 0.00 1.90 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 2.28 2.35 0.00 85 E 9.33 4.68 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 86 R 8.63 5.03 0.00 1.64 1.85 0.00 3.06 0.00 0.00 2.76 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 87 K 8.83 4.21 0.00 1.74 1.62 0.00 1.42 0.00 0.00 1.42 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.50 1.37 7.81 88 M 8.23 4.66 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 89 Q 7.43 4.54 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 90 M 8.47 4.30 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.44 0.00 91 P 0.00 4.20 0.00 1.29 1.39 0.00 3.44 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.44 0.00 92 F 7.46 4.79 0.00 3.12 3.21 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 93 Q 8.50 4.71 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.07 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 94 K 8.39 3.91 0.00 1.44 1.55 0.00 1.52 0.00 0.00 1.31 0.00 0.00 2.46 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 1.00 7.81 95 G 8.88 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 M 7.68 4.72 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.76 0.00 97 P 0.00 4.74 0.00 1.95 1.92 0.00 3.73 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 1.95 1.91 0.00 98 F 8.37 5.21 0.00 3.30 3.42 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 99 E 10.10 5.00 0.00 1.97 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 2.21 2.20 0.00 100 L 9.31 5.42 0.00 2.07 1.90 0.55 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 101 C 8.93 5.29 0.00 2.80 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 0.00 102 F 9.43 5.21 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.15 5.00 0.00 1.80 1.62 0.94 0.65 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 0.00 104 V 8.65 3.84 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 -0.11 0.00 0.00 0.81 0.00 0.00 105 Q 8.51 4.50 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 106 R 8.76 4.11 0.00 2.01 1.99 0.00 3.22 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 107 S 8.01 4.77 0.00 3.88 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 0.00 108 E 7.33 4.87 0.00 1.96 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 2.20 2.47 0.00 109 F 9.02 4.77 0.00 2.88 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 9.34 5.10 0.00 1.79 1.98 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.67 7.81 111 V 8.97 4.87 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 0.51 0.00 0.00 1.24 0.00 0.00 112 M 8.81 5.18 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 113 V 8.36 4.46 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 0.22 0.00 0.00 0.44 0.00 0.00 114 N 10.27 4.11 0.00 2.68 2.84 0.00 0.00 7.13 7.49 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 0.00 115 K 8.32 4.00 0.00 1.92 1.94 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.45 7.81 116 K 7.78 4.68 0.00 1.81 1.70 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.35 7.81 117 F 9.03 4.38 0.00 2.99 3.06 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 0.00 118 F 8.60 4.68 0.00 2.78 2.98 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 0.00 119 V 6.72 4.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 1.01 0.00 0.00 120 Q 8.71 5.36 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 121 Y 8.78 4.62 0.00 2.88 2.33 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 0.00 122 Q 8.36 4.41 0.00 1.79 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 123 H 8.37 4.30 0.00 3.19 3.50 0.00 5.64 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 0.00 124 R 8.74 4.32 0.00 1.92 2.04 0.00 3.34 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 125 V 7.47 4.62 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 0.81 0.00 0.00 1.08 0.00 0.00 126 P 0.00 4.35 0.00 2.07 1.79 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 127 Y 7.82 4.48 0.00 3.02 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 0.00 128 H 7.69 4.31 0.00 3.01 3.40 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.48 4.20 0.00 1.75 1.76 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.94 4.43 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.21 0.00 0.00 131 D 8.78 4.95 0.00 2.82 2.84 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 0.00 132 T 7.99 5.14 4.27 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 1.16 0.00 0.00 133 I 8.86 4.53 1.93 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 1.07 1.06 1.27 0.00 0.00 134 A 8.77 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.79 4.98 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 1.02 0.00 0.00 0.93 0.00 0.00 136 S 9.24 4.54 0.00 3.92 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 0.00 137 G 8.72 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 0.00 138 C 8.88 4.69 0.00 3.06 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 0.00 139 L 7.39 5.04 0.00 1.51 1.07 0.34 0.39 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 0.00 140 K 9.45 4.70 0.00 1.67 1.84 0.00 1.18 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.44 7.81 141 L 8.06 4.78 0.00 1.42 1.39 0.78 0.83 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 0.00 142 S 8.96 4.40 0.00 3.39 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 0.00 143 F 7.00 5.24 0.00 2.99 3.06 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 0.00 144 I 8.77 5.28 2.01 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.93 0.72 0.00 0.00 145 T 9.03 4.86 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 1.06 0.00 0.00 146 F 8.57 5.42 0.00 3.03 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 9.47 5.19 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 148 T 9.33 4.97 4.35 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 1.39 0.00 0.00 149 Q 9.02 4.45 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 150 N 8.24 4.58 0.00 2.74 2.59 0.00 0.00 6.52 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 * Residues marked with a * may have inaccurate shift predictions.