NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2079 8.1849 120.6289 53.7472 43.3628 176.3014 8 P 4.3935 0.0000 0.0000 60.6858 32.1612 173.4161 9 P 4.3637 0.0000 0.0000 64.8868 32.5307 176.3300 10 G 3.6418 9.0915 110.9278 44.6286 0.0000 172.8288 11 W 4.8757 7.4254 118.7150 55.9654 30.1637 176.0202 12 E 4.7682 9.0657 122.7201 54.3445 33.5166 174.7483 13 K 4.2984 8.6341 123.2435 56.0596 33.5817 175.3401 14 A 4.6290 8.3104 126.9176 50.9320 23.5777 174.0415 15 M 4.8174 8.3456 118.6581 53.8954 33.8221 175.4814 16 S 4.5903 9.5154 122.5165 58.3865 63.2180 175.1805 17 R 4.1385 8.7422 123.1572 58.6252 30.2056 178.0269 18 S 4.2227 8.2851 112.8147 60.9827 62.5200 174.7976 19 S 4.4532 7.9925 111.6261 57.7067 63.6581 175.3024 20 G 3.9940 8.0429 108.6460 45.4917 0.0000 173.7543 21 R 4.4382 7.8072 119.2990 55.2762 31.6203 176.4150 22 V 4.3785 8.5137 122.4233 63.5466 32.5950 174.2952 23 Y 5.1879 8.6524 123.6545 55.8093 42.3462 172.9884 24 Y 5.2480 9.4146 116.0490 56.3389 41.9860 175.1521 25 F 5.6656 9.3959 117.5017 55.2973 42.5077 172.8519 26 N 4.7851 8.6544 118.9451 51.8845 40.5113 174.6586 27 H 4.6797 8.5166 121.8883 56.8408 29.4117 176.3722 28 I 4.0210 7.7752 121.4806 63.1658 37.6198 176.6633 29 T 4.2038 7.7228 107.8941 60.6203 69.3469 174.8650 30 N 4.3220 8.3442 118.6459 54.1159 37.0863 173.5821 31 A 4.4268 7.4286 120.0349 52.1458 19.6393 177.6454 32 S 5.5490 8.4778 113.9692 57.3512 66.3219 173.1516 33 Q 4.5856 9.2227 118.1667 55.2662 31.4515 175.4209 34 W 4.6025 8.8480 121.1125 59.9362 29.5298 177.2220 35 E 4.3079 8.1875 116.5707 55.5482 29.6839 176.4681 36 R 2.5100 8.1552 123.1777 54.7435 30.6495 174.6642 37 P 3.7047 0.0000 0.0000 63.0482 31.6674 174.7310 38 S 4.6182 8.2169 111.2799 56.0911 62.2495 171.0148 *51 E 4.1120 8.3322 121.0786 55.0452 30.0577 173.5507 52 P 4.4632 0.0000 0.0000 62.5666 31.9217 176.3524 53 A 4.2489 8.6608 122.9874 54.7671 18.7397 177.7426 54 R 5.0730 7.7213 111.9597 54.6562 34.2911 175.4648 55 V 4.3204 7.8495 114.0037 59.3716 36.2799 174.3169 56 R 4.9955 8.2499 122.7687 54.0922 32.3079 174.6503 57 C 5.3965 8.8345 122.2012 58.2754 32.6727 173.0157 58 S 5.6205 8.9238 117.1182 57.5658 65.7453 172.6055 59 H 5.4883 9.3989 115.9915 54.7386 32.7903 171.9649 60 L 4.7419 9.2406 120.5825 53.2409 44.7393 174.5921 61 L 4.8408 8.7460 129.5310 53.6891 44.0521 175.0568 62 V 4.7234 8.9006 126.7402 61.1582 33.5706 175.1590 63 K 4.6915 8.9900 127.9412 56.0666 33.7069 175.4382 64 H 4.9621 8.6057 116.8765 53.7800 31.7942 174.4557 65 S 4.1122 8.7828 113.9557 61.2145 62.5597 175.2999 66 Q 4.3607 8.1699 117.3236 55.9828 29.0246 176.0631 67 S 4.3801 7.6363 114.8242 58.2799 63.5635 174.3070 68 R 3.9790 8.8635 124.0127 59.1358 29.6419 177.2728 69 R 4.4140 7.5438 119.7748 53.6033 30.9109 173.4396 70 P 4.6251 0.0000 0.0000 60.9530 30.2396 176.2209 71 S 4.8648 7.3123 111.9545 57.7405 66.2280 172.3963 72 S 4.6482 8.9295 120.4077 56.4656 65.9543 174.7538 73 W 4.3847 8.8542 117.0642 59.5722 27.6086 177.6651 74 R 3.4151 6.4691 117.2067 58.0659 29.8120 176.9300 75 Q 4.3441 7.6237 118.8402 54.5120 32.0817 174.6088 76 E 3.8457 9.0040 126.9016 58.0958 29.9929 176.4281 77 K 4.5555 7.7612 119.1167 54.3423 34.0399 174.8718 78 I 4.2984 8.5429 128.8189 60.7988 37.5320 175.8862 79 T 4.5191 8.2882 114.3074 60.9474 70.5806 174.6920 80 R 4.1321 7.8353 119.5667 56.5512 29.9098 176.2884 81 T 4.5383 9.3627 111.3636 60.9500 71.0213 175.5898 82 K 3.6856 8.4737 121.5083 59.6803 32.0372 178.1904 83 E 3.9226 8.0598 118.9518 59.3842 29.6842 178.4962 84 E 3.9465 8.2578 118.4731 59.2024 29.4229 179.1756 85 A 3.9461 8.3632 121.3470 55.0363 18.3621 179.4585 86 L 3.8313 8.1897 119.1099 58.1949 42.1621 178.7826 87 E 3.8449 8.2312 119.3109 59.0446 29.4454 178.7613 88 L 3.4470 7.7015 118.9811 57.6610 41.5959 179.3566 89 I 3.6802 7.5700 119.5833 64.7158 37.0904 178.2411 90 N 4.3959 8.4244 117.5257 56.2161 38.3129 177.8117 91 G 3.4476 7.8484 107.2124 47.8654 0.0000 175.5139 92 Y 4.4647 7.6603 119.3824 60.9370 37.8822 178.6023 93 I 3.8440 8.1955 121.0451 64.4843 37.2032 178.4193 94 Q 4.0441 8.1511 118.8164 59.1253 28.6162 179.2344 95 K 4.0904 8.2822 119.3633 59.4248 31.9138 179.6308 96 I 4.5224 8.2630 122.0324 63.9570 36.8506 178.6805 97 K 4.1183 8.4838 118.9990 59.2998 32.0181 178.5340 98 S 4.2193 8.2054 112.1181 59.2365 63.2492 175.2870 99 G 3.9603 7.8887 109.1120 45.6757 0.0000 174.1316 100 E 4.1361 7.9698 121.9213 58.2748 30.1692 176.9062 101 E 4.8192 8.3723 116.7244 53.7329 33.8216 174.3795 102 D 5.0759 8.3213 120.9283 51.9877 42.5460 177.0775 103 F 3.8832 8.8703 123.0279 61.9822 39.2369 177.5211 104 E 4.0180 8.4062 117.1939 59.5329 29.4370 179.4453 105 S 4.0306 8.2828 115.1040 61.6573 62.8696 176.8373 106 L 3.8709 7.7416 121.2923 57.3753 41.3289 179.4423 107 A 3.6993 7.7890 121.1438 55.1171 18.0810 179.6935 108 S 4.1720 7.6769 112.2924 62.1062 63.0117 176.7998 109 Q 3.9911 7.4222 118.5732 57.6113 28.5137 176.8826 110 F 4.9765 7.7490 115.0711 56.7971 41.0972 175.4793 111 S 4.4455 7.9385 116.0328 58.4721 62.5566 173.3008 112 D 4.5363 9.1097 126.6492 54.4408 40.9934 175.8369 113 C 4.7565 7.7452 120.6089 57.7791 33.3082 174.5758 114 S 4.1498 8.6910 120.6040 60.8649 62.5965 176.4321 115 S 4.2029 8.2782 117.5143 60.6209 62.5433 175.6189 116 A 3.9545 8.2273 125.4876 55.6572 17.7649 179.5634 117 K 3.8708 7.6957 114.7265 57.9240 32.3879 177.5800 118 A 4.6518 7.6715 122.2648 52.0441 19.5720 176.6783 119 R 3.5216 8.9182 115.4678 58.7158 28.5061 178.0640 120 G 4.1757 8.2799 105.0033 46.3277 0.0000 173.7653 121 D 4.7906 7.7331 119.6082 53.9376 41.4434 175.8259 122 L 4.3899 8.8225 125.7899 53.9475 42.9631 177.6032 123 G 3.8467 8.5558 108.3279 44.3734 0.0000 172.2160 124 A 4.8608 8.2771 119.8130 51.5686 19.9248 177.0766 125 F 5.1789 8.7244 114.5548 55.9481 41.6458 173.4251 126 S 5.4611 9.3420 115.1436 55.5265 66.1674 173.6088 127 R 4.1460 8.2797 118.6367 57.8086 30.0736 177.3957 128 G 3.9740 9.7151 109.1730 45.8865 0.0000 173.9130 129 Q 4.4257 7.7132 118.3000 56.9325 30.4680 176.1754 130 M 4.2956 7.7343 114.6974 53.1737 34.1021 175.8377 131 A 3.9971 8.3472 123.5757 52.9403 20.1566 179.2771 132 K 3.8977 8.8621 128.6432 59.8226 31.8211 176.3011 133 P 4.5296 0.0000 0.0000 65.1615 31.2195 178.5519 134 F 3.8880 8.2225 119.1179 61.1691 39.3337 176.6610 135 E 4.3370 8.9499 119.3889 59.5790 29.2944 178.4200 136 D 4.4364 8.6709 117.8598 57.3862 41.2465 178.4173 137 A 4.0854 7.9975 121.1092 55.2179 17.8803 179.8353 138 S 3.9611 8.3161 114.0107 61.8174 62.7797 176.8020 139 F 4.0663 8.5106 118.0759 59.1317 38.8195 176.6388 140 A 4.4001 7.5654 118.5565 51.7726 19.3594 177.3086 141 L 4.4277 6.8119 116.6698 54.1110 42.8377 176.8164 142 R 4.4891 9.6718 121.5941 54.6349 31.7565 176.3965 143 T 3.8941 8.1966 116.4108 65.7030 68.7521 174.0076 144 G 4.0255 9.1453 114.6854 45.1723 0.0000 173.6100 145 E 4.5258 8.1442 118.7176 55.6977 31.4110 175.2572 146 M 5.2706 8.3728 121.0425 53.6863 35.1122 175.4047 147 S 4.3822 9.1145 120.6277 58.0320 64.6329 174.2947 148 G 4.1287 8.1250 107.6785 44.5196 0.0000 171.0245 149 P 4.5294 0.0000 0.0000 63.0593 32.1026 176.1644 150 V 4.4828 8.7465 125.4111 61.1206 33.8381 174.1735 151 F 5.2100 9.2554 127.0778 56.5928 40.5677 175.2108 152 T 4.8865 8.9589 112.4572 59.6781 72.2407 174.3697 153 D 4.5308 8.7011 119.8889 57.3737 40.9350 179.4475 154 S 4.3534 7.8808 115.2534 59.5590 63.7937 175.1485 155 G 3.7661 6.5667 107.9732 45.5464 0.0000 170.7613 156 I 4.6696 8.2104 123.5717 59.7785 39.9031 174.8560 157 H 5.5506 9.3433 123.1993 54.1033 32.6907 172.6928 158 I 4.8103 8.8100 121.9524 59.7147 39.9272 174.5575 159 I 4.9066 8.9602 128.1474 59.3226 39.9880 174.2058 160 L 4.7495 8.8380 129.1737 53.0213 44.3910 175.0029 161 R 4.5714 8.5736 128.1326 56.1530 30.4004 176.5661 162 T 4.3187 8.8999 117.5650 62.6841 70.6972 174.9173 163 E 4.1561 7.6792 126.3264 56.6766 30.6468 174.6165 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 7 L 8.18 4.21 0.00 1.72 1.72 1.10 0.60 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 8 P 0.00 4.39 0.00 2.49 2.05 0.00 3.40 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 9 P 0.00 4.36 0.00 2.06 2.05 0.00 3.74 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 2.08 2.15 0.00 10 G 9.09 3.64 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 0.00 11 W 7.43 4.88 0.00 3.36 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 12 E 9.07 4.77 0.00 1.16 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 1.84 2.10 0.00 13 K 8.63 4.30 0.00 1.74 1.61 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.10 0.69 7.81 14 A 8.31 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 M 8.35 4.82 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 16 S 9.52 4.59 0.00 4.20 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 17 R 8.74 4.14 0.00 1.98 2.07 0.00 3.07 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 18 S 8.29 4.22 0.00 3.89 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 19 S 7.99 4.45 0.00 3.98 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 20 G 8.04 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 21 R 7.81 4.44 0.00 1.82 1.99 0.00 2.87 0.00 0.00 2.91 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 22 V 8.51 4.38 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 0.44 0.00 0.00 0.92 0.00 0.00 23 Y 8.65 5.19 0.00 2.99 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 24 Y 9.41 5.25 0.00 3.02 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 25 F 9.40 5.67 0.00 3.32 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.65 4.79 0.00 1.44 1.74 0.00 0.00 7.20 7.45 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 27 H 8.52 4.68 0.00 3.34 3.60 0.00 5.80 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 28 I 7.78 4.02 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.39 0.92 0.00 0.00 29 T 7.72 4.20 4.12 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 0.00 0.00 1.09 0.00 0.00 30 N 8.34 4.32 0.00 3.10 2.98 0.00 0.00 6.77 6.99 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 31 A 7.43 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.48 5.55 0.00 4.00 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 33 Q 9.22 4.59 0.00 2.42 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 34 W 8.85 4.60 0.00 3.45 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 35 E 8.19 4.31 0.00 1.93 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 2.36 2.44 0.00 36 R 8.16 2.51 0.00 1.33 1.52 0.00 3.16 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.00 37 P 0.00 3.70 0.00 1.10 0.49 0.00 2.49 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.00 38 S 8.22 4.62 0.00 3.96 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 *51 E 8.33 4.11 0.00 2.03 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 2.35 2.49 0.00 52 P 0.00 4.46 0.00 2.42 2.03 0.00 3.94 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 53 A 8.66 4.25 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 54 R 7.72 5.07 0.00 1.62 1.71 0.00 3.18 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 55 V 7.85 4.32 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 -0.16 0.00 0.00 -0.48 0.00 0.00 56 R 8.25 5.00 0.00 1.79 1.68 0.00 3.07 0.00 0.00 3.36 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 57 C 8.83 5.40 0.00 3.32 2.89 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 S 8.92 5.62 0.00 3.71 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 59 H 9.40 5.49 0.00 3.73 3.80 0.00 5.22 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.24 4.74 0.00 1.39 1.56 0.52 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.75 4.84 0.00 1.74 1.48 0.74 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.90 4.72 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 0.90 0.00 0.00 1.10 0.00 0.00 63 K 8.99 4.69 0.00 1.76 1.64 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.34 7.81 64 H 8.61 4.96 0.00 3.39 3.45 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.78 4.11 0.00 4.01 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 66 Q 8.17 4.36 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 67 S 7.64 4.38 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 68 R 8.86 3.98 0.00 1.86 1.98 0.00 3.20 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 69 R 7.54 4.41 0.00 1.75 1.78 0.00 3.29 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 70 P 0.00 4.63 0.00 2.24 2.31 0.00 3.73 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 2.06 1.94 0.00 71 S 7.31 4.86 0.00 3.78 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 72 S 8.93 4.65 0.00 3.99 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 73 W 8.85 4.38 0.00 3.59 3.30 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 74 R 6.47 3.42 0.00 1.27 1.49 0.00 2.90 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.62 4.34 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 76 E 9.00 3.85 0.00 1.96 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 2.28 2.30 0.00 77 K 7.76 4.56 0.00 1.69 1.63 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.40 7.81 78 I 8.54 4.30 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.90 0.00 0.00 79 T 8.29 4.52 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 1.25 0.00 0.00 80 R 7.84 4.13 0.00 2.08 2.09 0.00 3.10 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 81 T 9.36 4.54 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 1.20 0.00 0.00 82 K 8.47 3.69 0.00 1.57 1.79 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.44 7.81 83 E 8.06 3.92 0.00 2.16 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 2.37 1.97 0.00 84 E 8.26 3.95 0.00 2.25 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 2.29 2.30 0.00 85 A 8.36 3.95 1.37 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 86 L 8.19 3.83 0.00 1.84 1.84 0.99 1.26 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 87 E 8.23 3.84 0.00 2.03 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 2.18 2.25 0.00 88 L 7.70 3.45 0.00 1.71 1.21 0.83 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.57 3.68 1.94 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 1.58 0.87 0.90 0.00 0.00 90 N 8.42 4.40 0.00 2.78 2.83 0.00 0.00 6.98 7.50 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 91 G 7.85 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 92 Y 7.66 4.46 0.00 3.17 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 93 I 8.20 3.84 2.07 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 1.63 0.82 0.97 0.00 0.00 94 Q 8.15 4.04 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 95 K 8.28 4.09 0.00 2.06 1.95 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.52 1.67 7.81 96 I 8.26 4.52 2.13 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 1.75 2.67 1.05 0.00 0.00 97 K 8.48 4.12 0.00 1.82 1.94 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.62 7.81 98 S 8.21 4.22 0.00 4.03 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 99 G 7.89 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 0.00 100 E 7.97 4.14 0.00 1.93 2.13 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 2.37 2.32 0.00 101 E 8.37 4.82 0.00 2.06 1.80 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 2.28 2.46 0.00 102 D 8.32 5.08 0.00 2.98 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 0.00 103 F 8.87 3.88 0.00 3.25 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 0.00 104 E 8.41 4.02 0.00 2.15 2.02 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 2.48 2.65 0.00 105 S 8.28 4.03 0.00 3.98 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 0.00 106 L 7.74 3.87 0.00 1.41 1.30 0.99 0.87 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 0.00 107 A 7.79 3.70 0.98 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 0.00 108 S 7.68 4.17 0.00 3.91 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 0.00 109 Q 7.42 3.99 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 110 F 7.75 4.98 0.00 2.69 2.89 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 0.00 111 S 7.94 4.45 0.00 3.84 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 0.00 112 D 9.11 4.54 0.00 2.74 2.62 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 0.00 0.00 0.00 0.00 113 C 7.75 4.76 0.00 3.01 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 0.00 114 S 8.69 4.15 0.00 4.05 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 0.00 115 S 8.28 4.20 0.00 4.29 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 0.00 116 A 8.23 3.95 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 0.00 117 K 7.70 3.87 0.00 1.60 1.70 0.00 1.20 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.28 7.81 118 A 7.67 4.65 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 0.00 119 R 8.92 3.52 0.00 2.02 2.06 0.00 3.18 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 120 G 8.28 4.18 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 0.00 0.00 0.00 121 D 7.73 4.79 0.00 2.72 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 0.00 122 L 8.82 4.39 0.00 1.97 1.70 0.71 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.56 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 0.00 0.00 0.00 124 A 8.28 4.86 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 0.00 125 F 8.72 5.18 0.00 3.17 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 0.00 126 S 9.34 5.46 0.00 4.02 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 0.00 127 R 8.28 4.15 0.00 1.51 1.72 0.00 2.85 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 128 G 9.72 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 0.00 0.00 0.00 0.00 129 Q 7.71 4.43 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 130 M 7.73 4.30 0.00 1.78 1.98 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 131 A 8.35 4.00 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 0.00 132 K 8.86 3.90 0.00 1.77 1.85 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.12 7.81 133 P 0.00 4.53 0.00 2.35 2.21 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 134 F 8.22 3.89 0.00 3.06 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 0.00 135 E 8.95 4.34 0.00 2.27 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 0.00 2.49 2.72 0.00 136 D 8.67 4.44 0.00 2.76 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 0.00 137 A 8.00 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.32 3.96 0.00 4.25 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 0.00 139 F 8.51 4.07 0.00 3.03 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 0.00 140 A 7.57 4.40 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 0.00 141 L 6.81 4.43 0.00 1.73 1.56 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 142 R 9.67 4.49 0.00 2.00 1.82 0.00 3.24 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 143 T 8.20 3.89 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 1.21 0.00 0.00 144 G 9.15 4.03 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 0.00 0.00 0.00 145 E 8.14 4.53 0.00 2.08 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 2.35 2.27 0.00 146 M 8.37 5.27 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 147 S 9.11 4.38 0.00 4.03 3.78 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 0.00 148 G 8.12 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 0.00 0.00 0.00 149 P 0.00 4.53 0.00 1.99 1.90 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 150 V 8.75 4.48 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 0.86 0.00 0.00 0.94 0.00 0.00 151 F 9.26 5.21 0.00 2.97 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 0.00 152 T 8.96 4.89 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 1.36 0.00 0.00 153 D 8.70 4.53 0.00 2.76 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 0.00 154 S 7.88 4.35 0.00 3.88 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 0.00 155 G 6.57 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 0.00 156 I 8.21 4.67 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.56 0.34 0.00 0.00 157 H 9.34 5.55 0.00 3.08 3.41 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.81 4.81 2.16 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 1.19 0.00 0.00 159 I 8.96 4.91 1.68 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.58 0.66 0.00 0.00 160 L 8.84 4.75 0.00 0.54 0.65 0.79 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.57 4.57 0.00 1.83 1.84 0.00 3.05 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 162 T 8.90 4.32 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 1.14 0.00 0.00 163 E 7.68 4.16 0.00 1.91 1.73 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 2.26 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.