NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3323 8.2493 123.5827 51.0379 19.9401 176.6051 2 P 4.7789 0.0000 0.0000 62.3264 31.8404 174.6282 3 Q 4.6004 8.0366 118.2944 55.2750 30.4048 177.1795 4 S 4.5629 7.2842 111.7263 56.4515 66.3675 175.9402 5 I 3.6264 8.0492 122.4909 64.6540 37.7369 178.2812 6 T 3.8521 7.7803 116.2148 66.3211 68.3266 176.2892 7 E 3.8918 8.2143 121.4549 59.0768 29.7926 178.5544 8 L 3.9973 8.0515 120.4825 58.3455 42.1988 178.4643 9 C 4.1124 8.4004 119.1906 62.4708 31.3343 175.5389 10 S 4.2891 7.8803 114.0328 60.7454 62.5736 175.7274 11 E 4.0069 8.0373 121.1610 57.4747 29.5059 176.1334 12 Y 4.6663 7.2877 115.8158 56.2724 39.1450 175.1452 13 H 4.7107 8.6569 118.8254 56.3574 30.1014 174.9983 14 N 4.3563 8.9386 116.4495 54.9233 36.0309 173.8405 15 T 5.3988 7.3335 104.2168 60.2133 71.8675 172.9248 16 Q 4.6192 8.8268 119.3928 55.0232 32.6137 173.3151 17 I 4.5735 8.1509 121.0071 60.8212 38.6624 174.7332 18 Y 4.5045 9.0040 124.6989 56.5078 40.2804 174.9588 19 T 4.4489 8.5543 121.3683 63.5088 68.8087 174.0175 20 I 3.8575 8.5790 127.3982 62.1121 38.4179 177.1164 21 N 4.1153 7.7730 116.7737 53.6720 37.3185 172.3357 22 D 4.5066 7.5050 113.3826 53.2389 45.0279 174.6512 23 K 4.9845 8.4015 122.0995 55.4330 33.7256 176.4976 24 I 3.7059 8.1818 120.7747 61.0632 37.7432 176.0966 25 L 4.3933 8.3971 128.7737 57.7178 42.5438 177.0841 26 S 4.6277 7.7483 111.9739 56.5074 66.8641 171.7591 27 Y 4.8783 7.9165 122.0526 56.0920 41.0570 174.5417 28 T 4.4316 8.6788 123.4542 61.5398 72.2938 172.7138 29 E 4.8295 8.2979 124.8850 54.5033 33.0280 174.2440 30 S 4.7544 8.9514 120.9774 56.3877 65.8220 173.8491 31 M 4.4907 8.5379 121.8693 54.7050 31.6824 175.5226 32 A 4.0755 7.9635 123.5951 51.9244 19.0576 178.1341 33 G 3.7877 8.5390 111.2327 47.0604 0.0000 173.8325 34 K 4.0248 9.2711 121.9096 56.9765 29.7764 176.0830 35 R 4.7114 8.0114 117.8420 55.9020 31.4489 176.6716 36 E 5.0702 8.3556 118.7738 55.3058 28.7799 176.0429 37 M 5.0755 8.0357 120.5606 53.4472 35.9586 174.0346 38 V 4.7755 8.2288 118.6023 61.0933 34.9390 174.2196 39 I 5.1068 8.6596 127.5675 59.4455 40.5082 174.5618 40 I 4.9903 8.7056 120.0729 59.5215 41.0545 174.6187 41 T 5.0597 8.0898 118.1017 62.1106 73.1504 172.9953 42 F 5.3626 8.9151 122.1640 55.3030 42.9499 176.4830 43 K 4.1420 9.1094 119.4703 59.0437 32.7431 178.4584 44 S 4.1602 8.1584 113.9687 60.0316 62.9243 175.1899 45 G 3.9079 8.3660 109.2589 44.6310 0.0000 173.2260 46 A 4.0621 7.9133 122.5403 51.8599 19.5594 176.7670 47 T 4.8580 7.8524 118.4322 61.6636 71.4880 173.5873 48 F 5.3227 9.2802 123.6383 55.7652 43.9091 173.6678 49 Q 5.1339 9.0781 118.2871 54.5174 32.3217 174.3639 50 V 4.5959 8.5936 121.2576 61.2595 32.8770 175.2403 51 E 4.2388 8.9190 127.7222 56.1036 30.2346 177.0953 52 V 3.8813 8.3687 121.5643 62.2910 32.0611 174.3263 53 P 4.4247 0.0000 0.0000 62.5360 32.3830 175.6121 *59 D 4.6842 8.4491 117.1225 54.5506 42.5595 178.0504 60 S 4.3664 7.8771 113.1367 60.4913 63.3003 176.2154 61 Q 4.0561 8.0650 121.7497 58.4992 28.4933 178.3428 62 K 3.9487 7.5282 119.0998 59.5749 32.1147 179.4016 63 K 3.9867 8.0910 117.8823 59.4431 31.8965 179.1614 64 A 4.0184 7.7915 121.2452 54.9705 18.2746 179.7085 65 I 3.6799 8.1819 118.7831 64.7338 37.2429 178.4621 66 E 4.0004 8.1064 119.1762 59.3352 29.2418 179.3917 67 R 3.8794 8.2200 118.8269 59.5904 30.0726 178.0543 68 M 4.0069 8.3260 118.2067 58.8517 32.2274 178.2800 69 K 4.0364 8.1300 118.4125 59.5361 32.1831 178.9973 70 D 4.3713 8.3147 119.1179 57.8288 40.7508 179.0571 71 T 3.9049 8.3515 116.5116 66.6726 68.3697 176.8374 72 L 4.0656 8.3620 121.2896 57.5313 41.5528 179.5112 73 R 3.0910 7.9916 118.7531 59.3915 30.1156 178.5714 74 I 3.6490 7.7311 118.3025 64.1646 37.9589 177.9977 75 T 3.8946 8.1328 117.0684 66.5500 68.2811 176.0520 76 Y 3.9985 8.1993 121.6110 60.7667 38.6559 178.0326 77 L 3.7938 7.8832 118.9418 57.3504 41.7973 178.6676 78 T 4.1936 7.7238 106.7529 60.7007 69.3471 174.3530 79 E 3.7009 7.6676 119.8820 57.7006 27.4270 174.6781 80 T 4.0915 7.5982 115.1365 63.2506 69.3788 174.1728 81 K 4.4621 8.6618 127.8339 56.4312 33.6580 175.6128 82 I 4.0350 8.7365 129.3321 61.2384 38.2829 175.6635 83 D 4.5189 9.2200 127.8397 55.7011 41.4760 175.8213 84 K 5.1770 8.6242 115.8494 54.4523 37.3438 174.5221 85 L 5.0428 8.5079 120.9021 53.1080 45.2488 175.2914 86 C 4.8157 8.9658 125.0402 58.3917 32.7645 172.7222 87 V 4.8069 8.5171 119.1715 59.1395 35.9781 174.8108 88 W 5.0288 9.4700 124.0585 56.0733 30.1259 176.5101 89 N 5.1324 9.1393 122.4886 52.3538 37.6212 174.9505 90 N 4.9735 8.3496 114.1833 52.8994 37.7294 174.2458 91 K 4.6895 7.8907 116.2880 55.3655 35.8310 175.9807 92 T 4.4566 8.2237 116.8772 61.1052 70.6743 172.3678 93 P 4.6255 0.0000 0.0000 61.7215 33.1449 175.7416 94 N 4.7831 8.6661 117.1065 54.0758 39.7324 174.0863 95 S 5.3744 8.8724 117.5060 57.0218 64.6225 172.9592 96 I 4.2055 8.6418 128.0724 61.2454 36.9632 175.4758 97 A 4.2297 8.7630 128.6083 53.0143 20.6131 176.5554 98 A 4.5256 7.1592 114.1604 51.0084 22.7221 175.2419 99 I 5.0544 8.1674 118.9131 59.1956 41.4432 174.6215 100 S 4.8836 8.9003 121.6396 56.9764 66.4612 172.6996 101 M 5.1033 8.2383 119.6214 54.0908 36.0636 174.1473 102 E 4.6318 7.9503 115.8703 55.4641 33.6168 175.4959 103 K 4.1507 8.7440 126.6841 56.5272 32.4715 175.4394 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 1 A 8.25 4.33 1.28 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 2 P 0.00 4.78 0.00 2.28 2.08 0.00 3.35 0.00 0.00 5.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 3 Q 8.04 4.60 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 4 S 7.28 4.56 0.00 3.97 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 5 I 8.05 3.63 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.87 0.00 0.00 6 T 7.78 3.85 4.22 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 1.19 0.00 0.00 7 E 8.21 3.89 0.00 2.04 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 2.30 2.30 0.00 8 L 8.05 4.00 0.00 1.88 1.81 0.94 0.68 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 9 C 8.40 4.11 0.00 3.07 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 10 S 7.88 4.29 0.00 4.08 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 11 E 8.04 4.01 0.00 2.00 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 2.28 2.55 0.00 12 Y 7.29 4.67 0.00 2.95 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 13 H 8.66 4.71 0.00 3.33 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.94 4.36 0.00 3.17 3.07 0.00 0.00 6.44 7.05 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 15 T 7.33 5.40 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 0.97 0.00 0.00 16 Q 8.83 4.62 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.09 0.00 17 I 8.15 4.57 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.86 0.00 0.00 18 Y 9.00 4.50 0.00 2.80 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 19 T 8.55 4.45 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 1.18 0.00 0.00 20 I 8.58 3.86 1.61 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.46 -0.01 0.00 0.00 21 N 7.77 4.12 0.00 2.74 2.79 0.00 0.00 6.72 8.47 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 22 D 7.51 4.51 0.00 2.88 2.45 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 23 K 8.40 4.98 0.00 1.95 1.95 0.00 1.21 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.49 7.81 24 I 8.18 3.71 2.12 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.85 0.00 0.00 25 L 8.40 4.39 0.00 1.71 1.83 0.97 0.70 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 26 S 7.75 4.63 0.00 3.75 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 27 Y 7.92 4.88 0.00 2.36 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 0.00 0.00 0.00 28 T 8.68 4.43 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 1.06 0.00 0.00 29 E 8.30 4.83 0.00 1.54 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 0.00 2.15 2.27 0.00 30 S 8.95 4.75 0.00 3.85 3.63 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 31 M 8.54 4.49 0.00 2.12 2.08 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 2.44 2.48 0.00 32 A 7.96 4.08 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 33 G 8.54 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 34 K 9.27 4.02 0.00 1.92 1.96 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.38 7.81 35 R 8.01 4.71 0.00 1.69 1.83 0.00 3.30 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 36 E 8.36 5.07 0.00 1.96 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 2.39 2.32 0.00 37 M 8.04 5.08 0.00 2.00 2.19 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 2.48 2.67 0.00 38 V 8.23 4.78 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 0.94 0.00 0.00 0.90 0.00 0.00 39 I 8.66 5.11 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.78 0.84 0.00 0.00 40 I 8.71 4.99 1.71 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 1.37 1.43 0.98 0.00 0.00 41 T 8.09 5.06 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 1.13 0.00 0.00 42 F 8.92 5.36 0.00 3.03 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 43 K 9.11 4.14 0.00 1.92 2.02 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.50 7.81 44 S 8.16 4.16 0.00 4.06 4.11 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 45 G 8.37 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 46 A 7.91 4.06 1.21 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 47 T 7.85 4.86 4.02 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 0.00 0.00 1.14 0.00 0.00 48 F 9.28 5.32 0.00 2.97 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 49 Q 9.08 5.13 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.34 0.00 50 V 8.59 4.60 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 1.00 0.00 0.00 0.99 0.00 0.00 51 E 8.92 4.24 0.00 1.89 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 2.33 2.37 0.00 52 V 8.37 3.88 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 1.09 0.00 0.00 0.94 0.00 0.00 53 P 0.00 4.42 0.00 2.08 2.01 0.00 3.75 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 2.03 2.11 0.00 *59 D 8.45 4.68 0.00 2.74 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 60 S 7.88 4.37 0.00 4.07 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 61 Q 8.06 4.06 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 62 K 7.53 3.95 0.00 2.02 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 63 K 8.09 3.99 0.00 1.81 1.88 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 64 A 7.79 4.02 1.39 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 0.00 0.00 0.00 0.00 0.00 65 I 8.18 3.68 2.05 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 1.57 0.84 0.94 0.00 0.00 66 E 8.11 4.00 0.00 2.17 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 2.55 2.48 0.00 67 R 8.22 3.88 0.00 1.89 2.12 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.33 4.01 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 69 K 8.13 4.04 0.00 2.05 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.66 7.81 70 D 8.31 4.37 0.00 3.01 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 71 T 8.35 3.90 4.42 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 1.23 0.00 0.00 72 L 8.36 4.07 0.00 1.85 1.89 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.99 3.09 0.00 1.82 1.97 0.00 3.03 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.00 74 I 7.73 3.65 1.84 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 1.50 1.03 0.99 0.00 0.00 75 T 8.13 3.89 4.46 0.00 0.00 0.00 0.00 0.00 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 76 Y 8.20 4.00 0.00 3.04 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 77 L 7.88 3.79 0.00 1.70 1.64 0.86 0.88 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 78 T 7.72 4.19 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 1.23 0.00 0.00 79 E 7.67 3.70 0.00 2.09 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 2.04 2.09 0.00 80 T 7.60 4.09 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 1.22 0.00 0.00 81 K 8.66 4.46 0.00 1.85 1.70 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.49 7.81 82 I 8.74 4.04 1.98 0.00 0.00 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 1.19 0.92 0.91 0.00 0.00 83 D 9.22 4.52 0.00 2.78 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 84 K 8.62 5.18 0.00 1.66 1.57 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.34 7.81 85 L 8.51 5.04 0.00 1.20 1.11 0.19 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.97 4.82 0.00 2.79 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 87 V 8.52 4.81 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 0.41 0.00 0.00 1.34 0.00 0.00 88 W 9.47 5.03 0.00 3.38 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 89 N 9.14 5.13 0.00 2.84 3.12 0.00 0.00 6.94 7.62 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 90 N 8.35 4.97 0.00 2.88 3.00 0.00 0.00 5.98 7.13 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 91 K 7.89 4.69 0.00 1.90 1.75 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.42 7.81 92 T 8.22 4.46 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 1.20 0.00 0.00 93 P 0.00 4.63 0.00 2.12 1.97 0.00 3.96 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 1.98 1.95 0.00 94 N 8.67 4.78 0.00 2.96 3.14 0.00 0.00 6.35 7.57 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 95 S 8.87 5.37 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.64 4.21 1.91 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 0.99 0.86 0.83 0.00 0.00 97 A 8.76 4.23 -0.32 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 98 A 7.16 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.17 5.05 1.83 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 1.38 0.95 0.90 0.00 0.00 100 S 8.90 4.88 0.00 3.86 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 0.00 101 M 8.24 5.10 0.00 1.86 1.93 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 2.49 2.52 0.00 102 E 7.95 4.63 0.00 1.95 1.75 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 2.15 2.17 0.00 103 K 8.74 4.15 0.00 1.71 1.62 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.