NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3236 8.0748 114.6259 61.8609 68.5012 173.7407 6 C 4.7604 8.3992 117.8815 57.0851 39.4689 171.9448 7 D 5.0277 10.0777 124.0857 52.3281 43.3087 175.5712 8 L 4.6272 8.6455 123.9023 54.3213 42.6937 177.0435 9 V 4.3314 8.3219 120.9493 63.2530 32.8290 177.1618 10 G 4.0917 7.4874 115.2957 44.8898 0.0000 177.3264 *16 S 4.1611 8.5488 120.2827 57.7913 63.4475 173.5981 17 E 4.0117 8.7201 128.9791 59.1272 29.2629 179.1408 18 K 3.8914 7.9678 119.3057 59.8506 32.3425 178.8372 19 Q 3.9962 7.6687 116.8148 58.6808 28.4868 178.8180 20 L 3.9772 7.8527 119.6657 57.6932 41.5868 179.3387 21 A 4.0166 8.1179 120.7449 55.1197 18.0870 179.6331 22 L 3.9292 7.7370 116.6140 57.8853 42.0245 179.4428 23 L 4.2636 8.1235 119.1212 57.8970 41.6044 179.7830 24 K 4.1190 7.9336 119.3755 58.7357 31.7580 179.3693 25 R 3.9666 8.0583 118.1678 58.3888 30.1876 177.4381 26 L 4.4877 7.5230 116.6934 55.0032 41.9733 178.0333 27 T 2.0000 7.1762 117.1768 65.7316 68.0941 174.1143 28 P 4.1659 0.0000 0.0000 64.8329 31.6113 177.4951 29 L 4.5457 8.1035 116.8500 55.0257 41.9193 178.3209 30 F 4.5837 7.8197 117.4348 60.1233 38.8963 176.4714 31 Q 4.3382 8.0735 115.0999 55.8051 28.7763 175.7828 32 K 4.2763 7.7717 118.1525 55.3132 33.4784 175.8474 33 S 4.4499 7.6158 114.1648 56.4932 65.4269 172.9029 34 F 4.9075 9.0158 125.1281 55.7111 41.7844 174.0568 35 E 5.9632 8.8292 121.7599 54.4902 33.3214 174.3089 36 S 4.8274 9.0005 117.8692 57.7614 66.1021 172.7290 37 T 5.3462 8.7970 123.6276 62.1238 70.5233 174.0861 38 V 4.5429 9.1134 118.7084 60.5430 36.1494 176.1948 39 G 4.5164 9.1368 107.1594 45.7474 0.0000 172.6695 40 Q 4.7353 7.9709 116.5101 53.4660 31.4855 175.1698 41 S 4.0115 8.4183 113.6431 58.3373 63.5204 173.2861 42 P 4.3900 0.0000 0.0000 65.5759 32.1866 177.1544 43 D 4.5654 7.8684 118.0667 53.2528 37.1028 175.0238 44 M 4.8392 7.3283 122.1691 54.8995 35.2856 175.9742 45 Y 5.0649 8.9512 118.3807 56.2931 42.6033 174.2008 46 S 5.2905 8.9031 117.7742 56.8180 65.0755 172.0963 47 Y 5.2224 9.6454 124.9822 56.3302 40.5234 174.6136 48 V 4.7234 8.9117 124.7874 61.0899 34.0998 174.0163 49 F 5.4824 9.3113 130.1045 56.5602 42.2237 173.9078 50 R 4.5041 8.3493 123.2113 54.3026 34.5079 175.2810 51 V 3.8706 8.0251 121.3294 62.3566 31.4475 176.2500 52 C 3.5712 9.0786 124.6263 57.2995 38.1812 173.2502 53 R 4.1244 6.7561 115.6306 53.5834 33.7044 174.6170 54 E 4.2138 8.7094 120.7283 57.0279 29.7732 176.5047 55 A 4.4589 8.9722 129.1555 52.3501 20.5307 176.9621 56 G 4.0540 8.0117 103.8175 44.7016 0.0000 173.4900 57 Q 4.2831 9.5594 118.7895 56.7394 29.5980 176.6909 58 H 4.7477 8.4559 111.2563 54.9884 30.5255 173.5240 59 S 4.5031 7.9738 115.7771 56.5059 63.0609 173.3780 60 S 4.3524 8.4178 121.1552 59.1537 62.1277 174.2134 61 G 3.5240 10.5560 117.4325 44.8104 0.0000 172.4530 62 A 4.2699 7.9441 123.5901 51.8529 19.2231 178.6875 63 G 3.5569 8.8201 109.9450 47.1123 0.0000 173.5960 64 L 5.4480 7.7495 122.3488 53.8826 45.5870 175.2068 65 V 4.9983 9.0483 118.9853 59.5737 36.0769 174.0677 66 Q 4.5940 9.0045 124.3738 54.3467 31.5048 174.1984 67 I 4.9274 8.5310 127.5299 59.2847 40.0532 174.6738 68 Q 3.8346 9.0549 130.3514 55.8262 29.1502 177.0620 69 K 4.0744 8.4579 127.3485 59.1913 32.1877 178.9568 70 S 4.2111 8.1101 114.4684 60.6172 62.8883 174.5294 71 N 4.7986 7.7278 113.2877 51.2673 38.3300 174.9312 72 G 3.8528 8.6386 107.6714 45.2007 0.0000 173.5800 73 K 3.9968 8.3878 122.5541 56.7323 33.0524 175.3270 74 E 5.1174 8.7811 126.9608 55.3197 31.3816 175.4742 75 T 4.7113 8.8939 120.6654 61.5872 72.2173 173.3040 76 V 3.9801 9.0618 127.2501 62.8189 32.3491 176.5965 77 V 3.5569 8.7998 128.6164 65.1392 32.9136 175.7827 78 G 4.5652 7.7536 104.3997 45.3381 0.0000 172.3031 79 R 4.9869 9.2547 120.8451 53.0039 33.0412 177.0746 80 F 4.4461 7.7374 115.9487 57.0213 38.3843 176.2431 81 N 4.7426 7.2939 117.9191 54.1319 38.2594 175.0148 82 E 4.7772 7.9293 118.0396 55.1869 29.6964 174.3815 83 T 5.4243 9.2986 118.9838 62.2740 72.0542 174.9361 84 Q 4.6144 8.8699 122.1768 54.3906 33.4818 174.0134 85 I 5.0172 8.3112 122.7403 59.5274 41.3010 174.1529 86 F 5.0319 9.4617 126.9861 55.7191 43.3963 173.3297 87 Q 4.6200 8.8613 122.9485 54.5290 31.0094 175.1947 88 G 2.6226 6.6624 117.4457 43.5192 0.0000 172.7607 89 S 4.1653 8.2914 113.5274 61.0236 63.2675 175.3236 90 N 5.3754 7.6895 118.5468 51.0658 38.2107 173.4043 91 W 5.7150 7.5419 114.3923 56.8126 32.2917 172.9701 92 I 5.2100 9.3380 120.7526 60.0296 41.1050 174.0030 93 M 5.1177 10.2035 128.0485 54.0130 34.0943 174.0138 94 L 5.1245 8.8099 128.7674 53.3808 44.8707 174.9552 95 I 5.0926 8.9650 126.6567 59.7254 41.0564 173.9197 96 Y 5.3310 9.0736 124.4539 56.7093 40.5773 175.6561 97 K 4.4190 8.9993 125.5188 55.0850 35.4693 177.3756 98 G 3.9114 8.8074 107.5443 46.9597 0.0000 174.1378 99 G 4.2838 8.1127 107.8233 44.4943 0.0000 173.8986 100 D 4.6725 9.0420 119.8236 54.2259 41.8018 176.7490 101 E 4.6814 8.6011 120.9413 56.3512 30.6596 176.5001 102 Y 4.2373 8.8148 120.2710 58.6488 38.8015 177.1636 103 D 4.4414 9.0929 123.1000 56.9390 41.6492 178.1653 104 N 5.0966 7.7769 114.1460 51.4121 37.4702 172.9621 105 H 4.6385 8.1769 113.3414 56.2464 33.8479 174.1308 106 C 4.0884 9.4506 116.1297 58.5663 37.3488 174.4521 107 G 3.7462 8.4945 102.0277 45.6760 0.0000 173.0483 108 R 4.4679 8.4745 115.3945 55.8019 28.4314 176.3325 109 E 4.5600 8.0332 115.2826 55.3322 31.9678 175.4133 110 Q 4.5174 8.5264 119.2736 55.9076 29.4166 176.9843 111 R 4.5268 8.6670 122.9795 56.5489 31.6211 175.5373 112 R 5.2888 8.5661 115.1027 55.1834 32.5251 173.9305 113 A 5.3201 9.4782 123.0765 50.3556 22.0308 175.5254 114 V 4.7638 9.1890 121.9856 61.1167 34.6307 174.3310 115 V 4.8251 8.8233 128.5867 61.4203 34.0778 174.1389 116 M 4.7906 9.1971 128.9631 54.3146 33.3331 175.6158 117 I 4.4857 8.9818 127.1176 60.1577 38.6655 175.5025 118 S 5.0805 8.8262 124.3246 57.2817 64.6358 173.4028 119 C 4.8343 9.1226 124.6172 57.2442 43.1793 173.1313 120 N 4.7771 8.5656 124.7632 52.4241 40.8065 173.8600 121 R 4.3490 8.5377 122.4935 56.7998 29.4571 176.6997 122 H 4.9151 8.4230 112.6413 56.0968 30.2771 173.4810 123 T 4.6858 7.6268 113.3313 60.5258 70.4171 174.3602 124 L 4.0400 8.6994 129.3391 57.4432 42.5939 176.9320 125 A 5.1139 7.1815 115.7571 52.1964 22.6495 174.7054 126 D 4.4761 8.5222 120.6948 54.6775 44.3689 174.7885 127 N 4.4078 8.2540 115.6416 54.2254 35.7096 174.1811 128 F 5.1521 8.2749 119.4512 57.9640 40.7927 174.7468 129 N 4.0863 7.9411 120.8321 51.1537 40.5830 172.2826 130 P 4.3352 0.0000 0.0000 62.6384 32.0329 176.5905 131 V 3.6010 8.0265 120.4233 64.2850 31.6741 175.3974 132 S 4.4035 6.9138 112.9758 57.2708 66.8395 173.5513 133 E 4.4612 8.3063 120.3104 55.2975 31.8452 177.2902 134 E 3.9480 8.5953 123.3763 59.4277 29.7331 179.2517 135 R 3.9266 8.1359 118.1183 59.6188 30.1267 178.4431 136 G 3.5045 7.9051 104.6599 48.0747 0.0000 175.2299 137 M 3.7604 8.1024 121.5677 57.9329 31.8676 179.1262 138 V 3.4712 7.7055 118.3513 65.9227 31.4861 177.9590 139 Q 3.9321 7.6022 116.6950 59.1094 28.7334 178.1998 140 D 4.4875 7.9631 116.3322 53.9598 41.4351 175.4982 141 C 4.1386 7.8624 116.1368 56.9608 38.4558 173.4542 142 F 5.0284 8.0233 120.8060 57.7433 42.3553 173.2716 143 Y 4.1887 9.3780 125.2381 56.7422 39.0219 174.0031 144 L 4.8478 7.4696 126.6817 52.9665 44.8813 175.1099 145 F 5.1835 9.6786 124.7847 55.7020 43.6767 173.3174 146 E 5.2702 8.7912 117.1029 55.7628 33.3758 173.8012 147 M 5.5435 8.3961 116.3130 56.0687 35.1686 172.8335 148 D 5.5286 9.0522 119.4999 52.9793 44.3780 175.6988 149 S 5.1356 8.4874 113.3988 57.7233 66.2449 176.3077 150 S 4.4850 8.9574 121.0964 59.8710 63.1684 176.0548 151 L 4.0319 7.8660 121.0291 57.1424 41.4704 177.5697 152 A 4.3851 7.7395 119.5202 52.5237 19.0963 176.7455 153 C 4.6388 7.5762 113.7758 56.4063 41.2135 174.0992 154 S 4.2456 8.3250 117.6636 58.8288 63.3018 174.0628 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 T 8.07 4.32 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 1.22 0.00 0.00 6 C 8.40 4.76 0.00 3.01 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 7 D 10.08 5.03 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.65 4.63 0.00 1.55 1.61 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.32 4.33 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 0.80 0.00 0.00 1.06 0.00 0.00 10 G 7.49 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 S 8.55 4.16 0.00 3.94 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 17 E 8.72 4.01 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 18 K 7.97 3.89 0.00 1.82 1.80 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.52 7.81 19 Q 7.67 4.00 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 20 L 7.85 3.98 0.00 1.93 1.72 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.12 4.02 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 22 L 7.74 3.93 0.00 1.85 1.75 0.89 1.06 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 23 L 8.12 4.26 0.00 2.07 1.84 1.00 0.83 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 24 K 7.93 4.12 0.00 1.94 1.82 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 25 R 8.06 3.97 0.00 1.89 2.16 0.00 3.23 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 26 L 7.52 4.49 0.00 2.18 1.92 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.18 2.00 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 0.71 0.00 0.00 28 P 0.00 4.17 0.00 1.98 2.08 0.00 3.63 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 29 L 8.10 4.55 0.00 1.92 1.93 1.01 1.49 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 30 F 7.82 4.58 0.00 2.91 3.05 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 31 Q 8.07 4.34 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 32 K 7.77 4.28 0.00 1.72 1.15 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.34 7.81 33 S 7.62 4.45 0.00 3.65 3.49 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 0.00 0.00 0.00 0.00 34 F 9.02 4.91 0.00 2.49 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 35 E 8.83 5.96 0.00 2.00 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 2.47 2.17 0.00 36 S 9.00 4.83 0.00 4.25 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 37 T 8.80 5.35 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 38 V 9.11 4.54 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 0.83 0.00 0.00 1.22 0.00 0.00 39 G 9.14 4.52 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 0.00 40 Q 7.97 4.74 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 41 S 8.42 4.01 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.39 0.00 2.16 2.16 0.00 3.79 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 1.97 1.95 0.00 43 D 7.87 4.57 0.00 2.99 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 44 M 7.33 4.84 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.70 0.00 45 Y 8.95 5.06 0.00 3.06 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 46 S 8.90 5.29 0.00 3.93 3.71 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 47 Y 9.65 5.22 0.00 3.33 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 48 V 8.91 4.72 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 1.11 0.00 0.00 0.99 0.00 0.00 49 F 9.31 5.48 0.00 2.68 1.79 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 50 R 8.35 4.50 0.00 1.67 1.53 0.00 3.10 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 51 V 8.03 3.87 2.19 0.00 0.00 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 0.86 0.00 0.00 52 C 9.08 3.57 0.00 1.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 6.76 4.12 0.00 1.45 1.53 0.00 3.19 0.00 0.00 2.76 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.63 0.00 54 E 8.71 4.21 0.00 1.98 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 2.30 2.47 0.00 55 A 8.97 4.46 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 56 G 8.01 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 0.00 0.00 0.00 57 Q 9.56 4.28 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 58 H 8.46 4.75 0.00 3.11 3.26 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.97 4.50 0.00 3.81 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 60 S 8.42 4.35 0.00 3.80 3.73 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 61 G 10.56 3.52 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 0.00 62 A 7.94 4.27 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.82 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.75 5.45 0.00 2.07 1.61 0.02 0.83 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 65 V 9.05 5.00 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 0.63 0.00 0.00 1.01 0.00 0.00 66 Q 9.00 4.59 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.28 1.66 0.00 67 I 8.53 4.93 1.85 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 1.12 0.55 0.90 0.00 0.00 68 Q 9.05 3.83 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.81 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 69 K 8.46 4.07 0.00 1.69 1.79 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.32 7.81 70 S 8.11 4.21 0.00 3.92 3.91 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 0.00 0.00 0.00 71 N 7.73 4.80 0.00 2.75 2.87 0.00 0.00 6.10 7.00 0.00 0.00 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 G 8.64 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 73 K 8.39 4.00 0.00 1.95 1.75 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.44 7.81 74 E 8.78 5.12 0.00 1.93 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 0.00 2.26 2.39 0.00 75 T 8.89 4.71 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 1.12 0.00 0.00 76 V 9.06 3.98 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 0.84 0.00 0.00 0.88 0.00 0.00 77 V 8.80 3.56 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.84 0.00 0.00 78 G 7.75 4.57 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 79 R 9.25 4.99 0.00 1.65 1.58 0.00 3.10 0.00 0.00 3.14 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.32 0.00 80 F 7.74 4.45 0.00 3.09 2.58 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 0.00 81 N 7.29 4.74 0.00 2.87 2.65 0.00 0.00 5.87 7.66 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 82 E 7.93 4.78 0.00 1.91 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 2.20 2.21 0.00 83 T 9.30 5.42 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 1.37 0.00 0.00 84 Q 8.87 4.61 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 85 I 8.31 5.02 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.98 0.82 0.00 0.00 86 F 9.46 5.03 0.00 3.29 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 87 Q 8.86 4.62 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 1.96 2.25 0.00 88 G 6.66 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 0.00 0.00 0.00 89 S 8.29 4.17 0.00 3.95 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 90 N 7.69 5.38 0.00 2.77 3.01 0.00 0.00 5.71 8.88 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 91 W 7.54 5.72 0.00 3.49 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 9.34 5.21 1.99 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 1.12 0.65 1.05 0.00 0.00 93 M 10.20 5.12 0.00 2.55 2.20 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 94 L 8.81 5.12 0.00 1.82 1.42 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.97 5.09 2.03 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 1.10 0.00 0.00 96 Y 9.07 5.33 0.00 2.96 2.79 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 97 K 9.00 4.42 0.00 1.78 1.82 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.49 7.81 98 G 8.81 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.11 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 9.04 4.67 0.00 2.49 2.56 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 0.00 0.00 0.00 0.00 101 E 8.60 4.68 0.00 1.90 2.19 0.00 0.00 0.00 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 2.36 0.00 102 Y 8.81 4.24 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 0.00 103 D 9.09 4.44 0.00 2.75 2.77 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 0.00 104 N 7.78 5.10 0.00 2.70 2.79 0.00 0.00 5.81 7.90 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 0.00 105 H 8.18 4.64 0.00 3.16 2.93 0.00 5.96 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 9.45 4.09 0.00 2.07 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 0.00 107 G 8.49 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.47 4.47 0.00 1.95 2.11 0.00 3.14 0.00 0.00 3.16 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.54 0.00 109 E 8.03 4.56 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 110 Q 8.53 4.52 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.08 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 111 R 8.67 4.53 0.00 1.73 1.80 0.00 2.98 0.00 0.00 2.63 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.34 0.00 112 R 8.57 5.29 0.00 2.02 1.95 0.00 2.96 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 113 A 9.48 5.32 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.19 4.76 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 1.09 0.00 0.00 1.27 0.00 0.00 115 V 8.82 4.83 1.82 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 0.66 0.00 0.00 0.33 0.00 0.00 116 M 9.20 4.79 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 117 I 8.98 4.49 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.97 0.00 0.00 118 S 8.83 5.08 0.00 4.00 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 0.00 119 C 9.12 4.83 0.00 3.11 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 0.00 120 N 8.57 4.78 0.00 2.81 2.68 0.00 0.00 6.97 7.65 0.00 0.00 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 R 8.54 4.35 0.00 1.87 1.96 0.00 3.02 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 122 H 8.42 4.92 0.00 3.32 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.63 4.69 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 1.33 0.00 0.00 124 L 8.70 4.04 0.00 1.66 1.73 0.94 1.00 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 0.00 125 A 7.18 5.11 1.48 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 0.00 0.00 126 D 8.52 4.48 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.25 4.41 0.00 3.01 2.89 0.00 0.00 6.44 8.13 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 0.00 128 F 8.27 5.15 0.00 3.12 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 0.00 129 N 7.94 4.09 0.00 2.57 2.72 0.00 0.00 6.46 8.39 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 0.00 130 P 0.00 4.34 0.00 1.74 1.48 0.00 3.61 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 131 V 8.03 3.60 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 0.56 0.00 0.00 0.67 0.00 0.00 132 S 6.91 4.40 0.00 3.57 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 0.00 133 E 8.31 4.46 0.00 1.99 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 2.40 2.33 0.00 134 E 8.60 3.95 0.00 1.79 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 1.97 1.47 0.00 135 R 8.14 3.93 0.00 1.93 1.91 0.00 3.25 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 136 G 7.91 3.50 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 0.00 137 M 8.10 3.76 0.00 1.30 1.85 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 138 V 7.71 3.47 1.96 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 0.84 0.00 0.00 1.04 0.00 0.00 139 Q 7.60 3.93 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 140 D 7.96 4.49 0.00 2.57 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 0.00 141 C 7.86 4.14 0.00 3.02 3.04 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 0.00 142 F 8.02 5.03 0.00 3.01 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 0.00 143 Y 9.38 4.19 0.00 3.50 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 0.00 144 L 7.47 4.85 0.00 0.46 0.76 0.72 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.68 5.18 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.79 5.27 0.00 1.90 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 0.00 2.14 2.13 0.00 147 M 8.40 5.54 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 148 D 9.05 5.53 0.00 2.72 2.63 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 0.00 149 S 8.49 5.14 0.00 3.92 3.68 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 0.00 150 S 8.96 4.48 0.00 4.06 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 0.00 151 L 7.87 4.03 0.00 1.71 1.79 0.98 0.86 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 0.00 152 A 7.74 4.39 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 0.00 153 C 7.58 4.64 0.00 3.06 3.01 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 0.00 154 S 8.33 4.25 0.00 3.80 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 * Residues marked with a * may have inaccurate shift predictions.