NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.0809 8.2431 120.8611 54.4975 31.9529 176.4660 4 G 3.7741 8.0894 106.4502 43.9709 0.0000 166.7821 5 V 4.3601 8.1848 117.5991 60.8496 35.2224 172.9662 6 N 4.8275 8.6195 123.4406 51.6992 40.4364 173.0658 7 K 4.8801 8.3761 125.9115 54.6987 35.8463 175.3636 8 V 4.5016 8.6033 125.5826 61.1742 34.9684 174.0249 9 I 4.9291 8.3214 127.2117 59.5191 40.3588 174.7958 10 L 4.6729 8.2805 125.1616 53.0999 46.5164 175.5906 11 V 4.6036 8.0595 121.5036 61.8593 34.2790 174.3220 12 G 4.0647 8.3260 114.5658 46.1751 0.0000 170.8817 13 N 5.6010 7.9031 115.2996 51.0411 41.2653 175.2758 14 L 4.4103 8.4559 121.3337 55.3387 42.5023 177.9947 15 G 4.2476 8.6932 107.8711 47.7421 0.0000 174.2269 16 Q 4.7500 8.1477 115.3015 54.5768 31.0658 173.5145 17 D 4.5991 8.7499 120.4215 53.5439 41.6854 175.1065 18 P 4.4613 0.0000 0.0000 63.2326 32.1593 176.7033 19 E 4.6047 8.9468 123.2052 55.2572 27.9831 175.5020 20 V 4.3457 7.5984 114.0809 61.4124 33.1434 177.2666 21 R 4.5794 9.3528 123.6691 55.1236 34.0875 174.2838 22 Y 4.4922 8.9375 123.2600 57.8850 38.4635 175.7833 23 M 3.9128 8.8381 125.1626 58.4475 32.6180 175.3412 *28 A 4.2301 7.4788 116.7134 52.4750 20.4299 175.3163 29 V 4.4520 7.7652 112.7635 62.4822 35.6340 172.2054 30 A 5.2184 8.7832 129.6869 50.2698 22.3928 174.7454 31 N 5.4953 8.5763 116.8300 51.3733 42.0786 173.8453 32 I 4.8238 8.8660 116.5077 59.5198 41.9664 174.2903 33 T 5.7017 8.3518 119.0553 59.5278 68.0818 172.6893 34 L 4.6770 8.4053 127.1510 54.2851 43.1657 175.4966 35 A 4.8647 8.8926 124.0463 50.1099 22.0354 175.1924 36 T 4.2273 8.2585 112.9275 59.9403 71.0338 174.4822 37 S 4.4157 8.2698 123.6243 58.2390 64.0481 172.4261 38 E 4.6024 7.7077 118.6215 55.5745 33.4750 174.4117 39 S 5.2577 8.2535 116.9844 58.6312 63.9544 177.1451 *50 E 4.2627 8.0144 121.9708 56.8444 31.2550 176.7892 51 Q 2.9025 7.6857 117.9595 56.8749 25.8987 175.8609 52 T 3.6583 7.8458 117.6848 64.5512 69.3036 173.7446 53 E 4.7590 8.0639 125.9695 54.3675 32.6624 174.2625 54 W 5.3118 8.6079 121.0806 55.1590 33.1026 174.7325 55 H 4.8899 10.1548 119.8838 54.2346 32.6731 173.0152 56 R 4.6994 8.6772 122.9184 55.0905 30.3092 173.8790 57 V 4.5726 9.0683 126.0636 61.1221 33.8060 174.4245 58 V 4.4106 8.8656 127.9322 61.2931 33.7417 174.5523 59 L 4.5410 8.3412 130.0341 52.7472 41.8182 177.7215 60 F 4.9381 8.6070 129.3784 58.7759 39.2762 174.8426 61 G 3.9017 8.1319 109.9676 44.4140 0.0000 176.0004 62 K 3.8465 8.5984 119.6067 60.1561 32.0955 178.8473 63 L 3.8669 8.1529 119.2227 57.2247 41.4553 179.3268 64 A 4.0260 7.9278 120.9476 54.8806 18.6006 179.0022 65 E 3.7706 8.0535 117.5624 59.8278 29.5998 179.9189 66 V 3.2028 7.7388 116.9797 65.7861 31.5802 177.3911 67 A 3.9741 7.4732 119.4111 55.2778 17.9882 179.6174 68 S 4.0007 7.7267 110.8678 61.7499 63.1186 175.8358 69 E 3.9760 8.0682 122.2085 58.1648 29.2138 178.1932 70 Y 4.9221 7.6092 111.0706 56.4195 40.2727 175.4076 71 L 3.7517 8.5466 123.9970 53.9293 41.3881 173.3659 72 R 3.8473 7.9186 128.9017 56.8755 30.6207 175.5957 73 K 4.4431 9.0661 124.5172 56.1819 32.3733 173.4456 74 G 4.2489 8.3823 114.5587 45.3221 0.0000 174.2922 75 S 4.1749 7.5499 114.6120 58.9682 64.0167 174.0999 76 Q 4.6378 8.7545 125.3333 56.0814 30.3473 174.7331 77 V 4.9471 8.9157 117.7555 60.3498 37.0366 172.7075 78 Y 4.9117 8.6905 122.8967 56.0591 41.6752 174.5249 79 I 4.9380 7.7751 125.5685 59.5627 42.1095 173.6417 80 E 4.8485 8.7766 126.6575 54.7707 32.8321 174.9172 81 G 4.4313 8.4535 112.5404 46.1167 0.0000 171.7063 82 Q 5.0322 8.3292 118.0213 53.8388 33.4387 174.8175 83 L 4.7191 9.0074 122.2262 54.4767 42.4160 176.6007 84 R 4.5723 9.5313 124.4634 54.8024 32.9858 173.8613 85 T 5.3547 8.7255 123.1102 61.9403 71.3885 172.9319 86 R 4.9294 8.9835 124.2690 54.1131 32.1664 175.1315 87 K 4.8581 8.6364 121.8754 55.2639 34.3302 176.0150 88 W 5.0935 9.9263 122.4439 54.6267 30.8663 174.4290 89 T 3.8807 8.4951 116.0823 61.8615 68.5961 173.4783 90 D 4.6575 8.9381 125.6725 51.4222 42.2435 177.1746 91 Q 4.0233 8.8912 117.2250 59.6521 28.4913 179.6066 92 S 4.1591 8.0062 108.0186 59.0587 62.3972 174.7341 93 G 3.8605 9.0619 108.9757 45.9216 0.0000 173.4861 94 Q 4.5821 7.4330 117.7142 54.0145 31.2910 174.5868 95 D 4.6352 8.4975 121.7046 54.3387 41.3515 175.8603 96 R 4.8726 7.7589 120.9704 54.4387 34.0737 174.3612 97 Y 5.5101 9.0163 117.9814 56.6481 41.7925 174.7117 98 T 4.6723 9.4467 117.7812 60.5585 70.3052 172.3074 99 T 5.0958 8.9034 123.5649 59.7877 68.8341 173.0555 100 E 4.8998 10.0281 126.9158 54.8410 34.3522 174.6806 101 V 4.6621 8.3251 113.3566 59.9370 33.6036 175.7076 102 V 4.2262 8.4288 119.8566 59.9559 33.0820 176.0591 103 V 4.3531 8.0849 124.1092 62.8133 30.6581 174.9633 104 N 4.5846 8.6406 124.9586 54.5465 37.4760 176.9069 105 V 4.3218 9.0563 104.1395 60.3522 34.4911 173.9248 106 G 3.8173 8.3407 114.1845 44.3914 0.0000 175.3403 107 G 4.0622 7.6033 107.6270 46.0777 0.0000 171.1279 108 T 4.7689 8.6823 112.9780 61.4290 71.4598 171.5798 109 M 5.3475 8.5615 123.0269 53.9895 35.8575 174.5379 110 Q 4.5172 8.7113 125.9773 55.0906 32.5854 173.6425 111 M 4.5246 8.8958 126.7024 55.5872 33.0338 176.5255 112 L 4.4430 7.9669 120.0256 54.9933 42.3425 176.4619 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 3 R 8.24 4.08 0.00 1.79 2.03 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 4 G 8.09 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 5 V 8.18 4.36 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 0.84 0.00 0.00 0.94 0.00 0.00 6 N 8.62 4.83 0.00 2.66 2.67 0.00 0.00 6.73 6.68 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 7 K 8.38 4.88 0.00 1.74 1.58 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.41 7.81 8 V 8.60 4.50 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 0.83 0.00 0.00 0.90 0.00 0.00 9 I 8.32 4.93 1.82 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 1.31 0.76 0.77 0.00 0.00 10 L 8.28 4.67 0.00 1.38 1.28 0.61 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.06 4.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.03 0.00 0.00 12 G 8.33 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 13 N 7.90 5.60 0.00 2.66 2.82 0.00 0.00 7.47 6.62 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 14 L 8.46 4.41 0.00 1.75 1.66 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.69 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 0.00 0.00 0.00 16 Q 8.15 4.75 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 17 D 8.75 4.60 0.00 2.70 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 18 P 0.00 4.46 0.00 2.08 2.07 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 19 E 8.95 4.60 0.00 2.02 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 2.24 2.26 0.00 20 V 7.60 4.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.03 0.00 0.00 21 R 9.35 4.58 0.00 1.71 1.86 0.00 3.14 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 22 Y 8.94 4.49 0.00 2.77 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 23 M 8.84 3.91 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 *28 A 7.48 4.23 0.63 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 29 V 7.77 4.45 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 0.79 0.00 0.00 1.15 0.00 0.00 30 A 8.78 5.22 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.58 5.50 0.00 2.74 2.66 0.00 0.00 6.63 6.86 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 32 I 8.87 4.82 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.95 0.91 0.00 0.00 33 T 8.35 5.70 4.30 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 1.26 0.00 0.00 34 L 8.41 4.68 0.00 1.68 1.58 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.89 4.86 -0.08 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 36 T 8.26 4.23 4.16 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 1.16 0.00 0.00 37 S 8.27 4.42 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 38 E 7.71 4.60 0.00 1.99 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 2.20 2.22 0.00 39 S 8.25 5.26 0.00 4.12 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 *50 E 8.01 4.26 0.00 2.14 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 51 Q 7.69 2.90 0.00 2.14 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 52 T 7.85 3.66 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 0.87 0.00 0.00 53 E 8.06 4.76 0.00 2.15 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 0.00 2.11 2.32 0.00 54 W 8.61 5.31 0.00 3.17 3.18 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 55 H 10.15 4.89 0.00 3.15 3.15 0.00 5.79 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 56 R 8.68 4.70 0.00 1.90 1.81 0.00 3.14 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 57 V 9.07 4.57 2.05 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 0.89 0.00 0.00 0.91 0.00 0.00 58 V 8.87 4.41 1.65 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 0.65 0.00 0.00 0.83 0.00 0.00 59 L 8.34 4.54 0.00 1.62 1.59 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.61 4.94 0.00 3.26 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 61 G 8.13 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 0.00 0.00 0.00 62 K 8.60 3.85 0.00 1.93 2.06 0.00 1.56 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.48 7.81 63 L 8.15 3.87 0.00 1.69 1.81 0.95 0.92 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 64 A 7.93 4.03 1.42 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 0.00 0.00 65 E 8.05 3.77 0.00 1.95 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 2.09 2.40 0.00 66 V 7.74 3.20 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 1.20 0.00 0.00 0.98 0.00 0.00 67 A 7.47 3.97 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 68 S 7.73 4.00 0.00 4.08 4.07 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 69 E 8.07 3.98 0.00 1.52 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 0.00 0.00 0.00 2.00 2.12 0.00 70 Y 7.61 4.92 0.00 2.92 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 71 L 8.55 3.75 0.00 1.64 1.51 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.92 3.85 0.00 2.10 2.00 0.00 3.27 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 73 K 9.07 4.44 0.00 2.04 1.92 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.58 7.81 74 G 8.38 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 0.00 0.00 0.00 75 S 7.55 4.17 0.00 3.93 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 0.00 76 Q 8.75 4.64 0.00 2.37 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 77 V 8.92 4.95 2.12 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 0.74 0.00 0.00 0.97 0.00 0.00 78 Y 8.69 4.91 0.00 3.00 2.74 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 0.00 0.00 0.00 0.00 79 I 7.78 4.94 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.48 0.79 0.00 0.00 80 E 8.78 4.85 0.00 2.08 1.76 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 2.20 2.25 0.00 81 G 8.45 4.43 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 0.00 82 Q 8.33 5.03 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 83 L 9.01 4.72 0.00 1.70 1.62 0.93 0.83 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 84 R 9.53 4.57 0.00 1.80 1.72 0.00 3.09 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 85 T 8.73 5.35 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 1.38 0.00 0.00 86 R 8.98 4.93 0.00 1.91 2.06 0.00 2.77 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 87 K 8.64 4.86 0.00 0.79 1.44 0.00 1.19 0.00 0.00 1.18 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.16 1.15 7.81 88 W 9.93 5.09 0.00 3.29 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 89 T 8.50 3.88 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 1.20 0.00 0.00 90 D 8.94 4.66 0.00 2.53 2.41 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 91 Q 8.89 4.02 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.33 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 92 S 8.01 4.16 0.00 4.24 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 93 G 9.06 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 0.00 0.00 0.00 94 Q 7.43 4.58 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.19 0.00 95 D 8.50 4.64 0.00 2.54 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.76 4.87 0.00 0.67 1.59 0.00 3.16 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.30 0.00 97 Y 9.02 5.51 0.00 2.70 2.92 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 98 T 9.45 4.67 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 1.20 0.00 0.00 99 T 8.90 5.10 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 1.24 0.00 0.00 100 E 10.03 4.90 0.00 1.80 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.40 0.00 101 V 8.33 4.66 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 0.69 0.00 0.00 0.87 0.00 0.00 102 V 8.43 4.23 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 0.68 0.00 0.00 0.96 0.00 0.00 103 V 8.08 4.35 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 0.93 0.00 0.00 0.87 0.00 0.00 104 N 8.64 4.58 0.00 3.02 2.57 0.00 0.00 7.18 7.71 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 0.00 105 V 9.06 4.32 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 0.80 0.00 0.00 0.96 0.00 0.00 106 G 8.34 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 0.00 0.00 0.00 107 G 7.60 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 0.00 108 T 8.68 4.77 4.30 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 1.36 0.00 0.00 109 M 8.56 5.35 0.00 2.08 1.87 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 2.50 2.62 0.00 110 Q 8.71 4.52 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 111 M 8.90 4.52 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 112 L 7.97 4.44 0.00 1.73 1.52 1.00 0.88 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 * Residues marked with a * may have inaccurate shift predictions.