NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.2764 8.3344 115.4158 57.9653 63.7475 172.6523 *2 F 2.8965 8.3650 120.2263 58.7177 39.7927 174.8723 3 N 3.9416 7.6843 125.2466 54.2216 37.1742 172.4826 4 N 4.8827 7.0429 113.5172 51.0300 40.6947 174.6852 5 E 4.0503 8.6802 124.5712 58.9753 30.1401 178.2439 6 L 4.0406 8.2291 123.7914 54.1881 40.9820 176.9266 *8 A 3.9436 7.7552 119.8637 52.1287 19.6969 176.5201 9 D 5.0291 8.2892 120.8757 52.9852 40.5356 176.5081 10 V 4.5801 7.2780 118.2571 60.7444 35.2782 173.1032 11 H 5.1937 8.9149 119.4779 54.1223 32.0300 172.5708 12 F 5.0586 9.2451 122.6866 56.2402 41.0805 175.2499 13 V 4.5190 8.8657 124.7761 61.6863 32.2815 174.1724 14 V 4.5369 8.8343 129.1108 61.9068 33.9000 174.6539 15 G 4.2119 8.8669 113.4208 43.1813 0.0000 171.3426 16 P 4.6682 0.0000 0.0000 61.1458 32.0490 174.1420 17 P 4.3515 0.0000 0.0000 64.7635 31.2464 176.8366 18 G 3.9634 10.1907 109.0254 45.7049 0.0000 173.5303 19 A 4.6427 7.7224 122.9551 50.8613 19.2929 176.0263 20 T 4.8423 7.7355 110.6420 61.4333 71.6924 174.7706 21 R 4.6873 8.9457 122.1258 54.9575 33.8299 173.7689 22 T 4.9863 8.5823 122.2020 62.2550 70.1035 174.0998 23 V 4.5024 9.1475 127.2906 60.2049 34.0313 173.0341 24 P 4.6864 0.0000 0.0000 63.0359 32.5403 175.1172 25 A 4.7521 8.8277 122.8222 51.5028 23.8521 174.2582 26 H 5.1304 8.8713 114.5157 53.7527 31.2912 175.6460 27 K 3.4827 9.2715 124.4608 59.4363 31.7598 178.7122 28 Y 4.0488 8.0258 119.2718 60.8102 38.6832 178.2901 29 V 3.3886 7.7604 118.5937 65.8563 31.4016 177.8529 30 L 3.8297 7.4240 117.2626 57.6351 41.2276 179.0197 31 A 4.5261 8.3572 120.9340 55.1400 18.1577 179.7858 32 V 3.4897 7.4489 116.2113 65.6320 31.6028 177.7186 33 G 3.9298 7.4713 103.0732 44.4089 0.0000 173.7054 34 S 4.6612 7.5104 115.4075 55.9466 66.0557 175.2650 35 S 4.2041 8.8630 123.2751 61.2560 62.4834 176.8647 36 V 3.6033 7.6879 121.0641 66.0498 31.5409 177.5948 37 F 4.4265 8.0350 116.2610 60.5248 38.9203 176.5863 38 Y 4.4813 8.7171 119.5634 60.6737 38.1150 178.6359 39 A 4.4104 7.8561 118.8203 52.8451 18.1784 179.0858 *41 F 4.9039 8.0261 121.3680 58.6432 40.8300 175.6906 42 Y 4.3392 8.3670 115.1919 57.3064 39.7823 175.9599 43 G 4.0367 7.3525 108.4357 44.3497 0.0000 174.3402 44 D 4.4471 8.6855 118.1893 56.5158 40.8116 177.7276 45 L 4.6188 7.7128 116.4884 54.0561 42.1720 176.1527 46 A 4.1486 7.7894 122.5022 52.2347 18.7731 177.7283 47 E 4.7097 8.4037 120.9321 53.9693 32.7957 176.2910 48 V 3.7681 8.3506 123.3096 61.4943 32.0428 175.9223 49 K 4.4983 8.3453 123.5117 54.8443 35.5159 176.1551 50 S 4.2794 8.8934 121.0672 60.7248 64.0715 174.0378 51 E 4.9821 8.0141 119.3774 54.2552 32.1907 175.0272 52 I 4.6342 8.7157 127.7119 59.8578 40.3196 174.2221 53 H 5.1557 8.9917 123.7207 54.8982 30.3798 175.6517 54 I 4.6516 8.5882 122.6840 59.0268 37.4296 174.2690 55 P 5.0459 0.0000 0.0000 63.9274 31.8017 177.0708 56 D 4.6587 8.0483 115.4143 52.9261 40.2502 176.0734 57 V 4.4652 7.3663 120.3696 61.2612 33.7831 174.3139 58 E 4.3748 8.5120 125.6298 55.1999 31.5052 176.1146 59 P 4.3503 0.0000 0.0000 65.8257 31.5121 178.8242 60 A 4.0494 8.1140 118.6720 55.1818 18.3707 179.2402 61 A 3.9910 8.1013 118.7519 55.4274 18.4342 179.5023 62 F 4.2222 8.5859 119.1252 61.5001 39.4036 177.4243 63 L 4.1947 8.3898 118.7354 57.7933 41.5212 179.5794 64 I 3.6795 7.9044 120.0136 64.0490 36.7927 178.1210 65 L 3.9793 7.7610 120.1093 58.3123 42.0482 178.7933 66 L 4.1531 7.6817 117.5293 57.5664 41.8627 178.8158 67 K 3.0408 8.2128 119.9828 59.3737 31.7827 178.5232 68 Y 4.7058 7.5567 118.2057 57.9620 38.3803 176.9319 *70 Y 4.4525 7.8561 117.7962 56.7318 39.8199 176.1259 71 S 4.4855 7.8159 110.6510 56.8491 64.6093 174.4171 72 D 4.1685 8.0319 119.1712 54.3281 40.4587 172.9455 73 E 4.4355 7.9197 117.9542 55.8447 30.5243 175.2621 74 I 4.5462 8.3122 123.8565 59.9866 39.0462 176.1331 75 D 4.9921 8.2389 126.5047 52.9469 40.8357 176.0494 76 L 4.0721 7.3450 119.1227 54.5876 43.1454 177.0515 77 E 4.7342 7.8857 118.6794 54.2666 33.6203 176.3880 78 A 4.2979 9.1906 125.0260 55.8474 18.4300 179.1884 79 D 4.5468 8.1688 113.8403 56.7074 41.1556 177.0230 80 T 4.6166 7.9290 107.0248 60.3858 70.0373 176.1113 81 V 3.4276 7.7247 123.6860 64.9038 31.2803 177.8996 82 L 3.9152 7.8759 120.2576 57.9558 42.1076 178.6738 83 A 4.0840 7.9896 120.1817 55.4612 18.2594 179.5970 84 T 3.9278 8.3182 114.8287 66.6200 68.4283 176.7336 85 L 3.9442 8.2127 122.7086 58.0378 42.0024 178.2751 86 Y 3.9752 8.1449 119.4133 60.7856 38.7717 178.0929 87 A 4.0901 8.2839 121.3747 55.2332 18.5272 179.5076 88 A 4.0365 8.3338 119.4741 54.9539 18.4193 179.8972 89 K 3.7867 8.1691 118.4014 59.4615 32.1008 178.9573 90 K 3.4271 7.6966 119.3834 58.9811 32.0169 176.7394 91 Y 4.2175 7.5962 113.0736 56.8301 38.6577 175.4380 92 I 3.1211 7.1282 119.3573 62.7429 34.7715 175.9753 93 V 4.3185 8.1989 121.3147 60.3857 31.6302 173.7207 94 P 4.3365 0.0000 0.0000 64.9208 31.7022 178.2213 95 A 3.9501 7.9539 120.6057 54.7690 18.3496 179.2024 96 L 3.5083 7.5377 118.2867 57.8610 42.2761 178.4887 97 A 3.9454 7.8840 120.8318 55.2491 18.2124 179.4969 98 K 3.8337 8.1376 117.5839 59.6919 32.2131 178.8231 99 A 3.9899 7.8033 120.5485 55.3542 18.1599 179.3933 100 C 4.0498 8.1635 115.2944 62.8950 28.0791 176.5735 101 V 3.6133 7.8644 119.8419 66.0702 31.1117 177.8572 102 N 4.3371 8.4328 116.4670 56.2402 38.0426 177.1516 103 F 4.0094 8.5533 122.2459 61.2833 39.2675 177.1918 104 L 4.2008 8.2205 117.7546 57.9650 41.5140 178.9806 105 E 4.1776 8.4523 118.0555 58.6293 29.3829 178.0451 106 T 4.4631 7.2784 105.9623 60.9140 69.1323 173.7829 107 S 4.6038 7.1072 114.5720 56.0512 65.5152 173.8573 108 L 4.0735 8.3289 121.8202 55.5963 41.7469 176.7811 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 0 S 8.33 4.28 0.00 4.05 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 *2 F 8.37 2.90 0.00 2.67 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 3 N 7.68 3.94 0.00 1.44 1.94 0.00 0.00 6.98 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 4 N 7.04 4.88 0.00 2.71 2.66 0.00 0.00 7.06 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.68 4.05 0.00 1.98 2.00 0.00 0.00 0.00 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 2.23 0.00 6 L 8.23 4.04 0.00 1.61 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *8 A 7.76 3.94 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 9 D 8.29 5.03 0.00 2.54 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 10 V 7.28 4.58 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.61 0.00 0.00 11 H 8.91 5.19 0.00 3.01 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 9.25 5.06 0.00 3.02 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.87 4.52 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 0.93 0.00 0.00 0.82 0.00 0.00 14 V 8.83 4.54 2.06 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 0.89 0.00 0.00 0.61 0.00 0.00 15 G 8.87 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 16 P 0.00 4.67 0.00 2.23 2.18 0.00 3.89 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 2.07 1.94 0.00 17 P 0.00 4.35 0.00 2.20 2.12 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 18 G 10.19 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.72 4.64 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 20 T 7.74 4.84 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 21 R 8.95 4.69 0.00 1.86 1.79 0.00 3.10 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 22 T 8.58 4.99 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 1.25 0.00 0.00 23 V 9.15 4.50 2.40 0.00 0.00 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 1.08 0.00 0.00 24 P 0.00 4.69 0.00 2.09 2.09 0.00 3.92 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 1.74 2.00 0.00 25 A 8.83 4.75 1.50 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 0.00 0.00 0.00 26 H 8.87 5.13 0.00 3.22 3.27 0.00 5.83 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 27 K 9.27 3.48 0.00 1.57 1.38 0.00 1.27 0.00 0.00 0.86 0.00 0.00 2.45 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 1.11 7.81 28 Y 8.03 4.05 0.00 3.16 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.76 3.39 1.71 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 0.05 0.00 0.00 0.78 0.00 0.00 30 L 7.42 3.83 0.00 1.54 1.27 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.36 4.53 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.45 3.49 1.77 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 0.67 0.00 0.00 0.20 0.00 0.00 33 G 7.47 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 34 S 7.51 4.66 0.00 4.07 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 35 S 8.86 4.20 0.00 4.09 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 0.00 36 V 7.69 3.60 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 0.81 0.00 0.00 0.89 0.00 0.00 37 F 8.03 4.43 0.00 3.38 3.23 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 38 Y 8.72 4.48 0.00 3.42 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.86 4.41 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 0.00 0.00 *41 F 8.03 4.90 0.00 3.20 2.69 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 Y 8.37 4.34 0.00 1.68 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 0.00 0.00 0.00 0.00 43 G 7.35 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 0.00 0.00 0.00 44 D 8.69 4.45 0.00 2.72 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 45 L 7.71 4.62 0.00 1.60 1.65 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.79 4.15 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 47 E 8.40 4.71 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 2.20 0.00 48 V 8.35 3.77 2.06 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 0.71 0.00 0.00 0.90 0.00 0.00 49 K 8.35 4.50 0.00 1.76 1.74 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.43 7.81 50 S 8.89 4.28 0.00 3.74 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 51 E 8.01 4.98 0.00 1.87 1.77 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 2.03 2.22 0.00 52 I 8.72 4.63 1.68 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 1.28 0.57 1.19 0.00 0.00 53 H 8.99 5.16 0.00 3.03 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.59 4.65 1.73 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 1.07 0.00 0.00 55 P 0.00 5.05 0.00 2.06 2.13 0.00 3.76 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 56 D 8.05 4.66 0.00 2.80 2.81 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 57 V 7.37 4.47 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 1.31 0.00 0.00 1.25 0.00 0.00 58 E 8.51 4.37 0.00 2.10 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 2.38 2.38 0.00 59 P 0.00 4.35 0.00 2.21 2.17 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.38 0.00 60 A 8.11 4.05 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 61 A 8.10 3.99 1.52 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 0.00 0.00 0.00 0.00 0.00 62 F 8.59 4.22 0.00 3.30 3.28 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 63 L 8.39 4.19 0.00 2.05 1.98 1.04 0.67 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 64 I 7.90 3.68 2.01 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 1.49 1.22 0.86 0.00 0.00 65 L 7.76 3.98 0.00 1.66 1.76 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.68 4.15 0.00 1.80 2.09 0.04 0.79 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 67 K 8.21 3.04 0.00 1.03 1.71 0.00 0.85 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.25 7.81 68 Y 7.56 4.71 0.00 3.17 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 *70 Y 7.86 4.45 0.00 2.95 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.82 4.49 0.00 3.90 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 72 D 8.03 4.17 0.00 2.70 2.81 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 73 E 7.92 4.44 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 74 I 8.31 4.55 1.86 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 0.81 0.00 0.00 75 D 8.24 4.99 0.00 2.57 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 76 L 7.34 4.07 0.00 1.04 0.67 0.71 0.70 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 77 E 7.89 4.73 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 78 A 9.19 4.30 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.17 4.55 0.00 2.68 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 80 T 7.93 4.62 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 1.22 0.00 0.00 81 V 7.72 3.43 1.66 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 0.98 0.00 0.00 0.75 0.00 0.00 82 L 7.88 3.92 0.00 1.80 1.72 0.96 1.20 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 83 A 7.99 4.08 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 84 T 8.32 3.93 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 1.18 0.00 0.00 85 L 8.21 3.94 0.00 1.83 1.89 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.14 3.98 0.00 3.14 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 87 A 8.28 4.09 1.64 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 0.00 0.00 88 A 8.33 4.04 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 89 K 8.17 3.79 0.00 1.75 1.74 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.33 7.81 90 K 7.70 3.43 0.00 1.04 1.42 0.00 1.57 0.00 0.00 1.11 0.00 0.00 2.63 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.83 7.81 91 Y 7.60 4.22 0.00 2.98 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.13 3.12 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.28 0.90 0.00 0.00 93 V 8.20 4.32 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 1.22 0.00 0.00 1.08 0.00 0.00 94 P 0.00 4.34 0.00 2.30 2.28 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 95 A 7.95 3.95 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 96 L 7.54 3.51 0.00 1.16 1.65 0.64 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.88 3.95 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 98 K 8.14 3.83 0.00 1.87 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 99 A 7.80 3.99 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 100 C 8.16 4.05 0.00 3.16 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 0.00 101 V 7.86 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.94 0.00 0.00 102 N 8.43 4.34 0.00 2.95 2.88 0.00 0.00 6.69 8.23 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 0.00 103 F 8.55 4.01 0.00 3.29 3.16 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 0.00 104 L 8.22 4.20 0.00 1.87 1.77 1.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.45 4.18 0.00 2.36 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 2.20 0.00 106 T 7.28 4.46 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 1.20 0.00 0.00 107 S 7.11 4.60 0.00 3.84 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.33 4.07 0.00 1.58 1.58 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.