NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 H 4.8067 8.2876 117.3913 54.8801 29.2687 174.4020 9 T 4.2473 8.7981 110.8221 62.4969 68.4262 175.0338 10 F 3.9034 8.6249 126.4775 60.6730 40.2925 176.9775 11 F 4.6112 7.9266 116.3359 57.3459 39.5259 175.5498 12 Q 4.4563 7.4367 119.2984 54.8813 29.9522 174.5627 13 K 4.6943 7.9653 116.6536 54.0418 35.8080 174.5469 14 P 4.3996 0.0000 0.0000 62.5826 31.9502 177.3931 15 E 3.9134 8.9366 125.2732 59.4629 29.8500 180.5647 16 S 4.4957 7.9081 113.0134 58.3127 62.2167 173.3780 17 C 4.8006 7.2279 116.4244 57.9899 30.5652 172.5074 18 P 4.2071 0.0000 0.0000 62.2677 31.0832 174.8390 19 P 4.3692 0.0000 0.0000 62.9361 32.2325 176.0001 20 V 4.3660 7.9587 118.5574 60.3560 34.2292 172.8379 21 P 4.2832 0.0000 0.0000 64.3832 31.6447 176.4511 22 G 3.9949 8.9543 110.3951 44.5530 0.0000 173.2809 23 G 3.7074 7.7511 106.3130 47.1206 0.0000 173.3228 24 S 4.7778 7.9377 113.1091 56.7145 65.8786 173.5357 25 M 4.6083 8.2023 120.8180 53.4631 34.3307 175.4503 26 K 4.2365 8.4003 121.3160 55.1715 32.9269 175.4007 27 L 4.5971 8.2957 128.3604 53.0354 43.0588 175.5321 28 D 4.5505 8.4737 126.5136 53.9567 41.5481 176.5020 29 I 3.8844 7.9316 115.6723 61.2408 38.7729 176.2505 30 G 3.8399 8.7225 109.0118 46.1123 0.0000 172.8591 31 I 4.3195 8.0030 123.0765 59.0618 38.6431 175.5303 32 I 3.9225 8.2642 126.6413 62.5310 37.8555 175.2448 33 N 4.2382 8.9712 119.0575 54.1432 36.0620 175.7977 34 E 4.0979 7.8946 119.9411 58.4290 29.7766 177.5289 35 N 4.6026 7.9702 114.4333 54.9040 38.3040 175.7971 36 Q 4.0819 7.6366 116.9851 56.3793 29.3356 176.3474 37 R 4.7072 8.2015 119.6856 53.9603 33.3136 175.9045 38 V 3.7917 8.2721 121.4801 61.4018 32.2585 175.4481 39 S 4.6207 8.5774 117.3649 56.7601 64.2113 172.6800 40 M 4.9538 8.3116 125.7767 53.0605 35.9571 175.2079 41 S 4.2883 8.6311 116.3599 58.8283 62.5477 174.7420 42 R 4.1343 8.4095 118.9554 57.1119 30.2869 176.3363 43 N 4.4316 8.8426 116.9135 53.9650 36.0162 176.0867 44 I 3.6150 7.1315 120.6551 64.2453 37.9303 175.7947 45 E 2.5400 7.5308 115.5077 56.4940 29.3407 177.7048 46 S 4.2258 7.5416 115.8594 60.5174 64.5003 176.1655 47 R 4.0089 7.6432 117.7935 57.1782 30.2984 177.0993 48 S 4.3158 6.7616 113.2078 57.9720 63.0979 174.3461 49 T 4.0930 8.5493 115.7838 63.7294 69.1585 173.5459 50 S 4.9781 7.9719 116.8586 55.2327 61.8094 172.1273 51 P 4.5695 0.0000 0.0000 63.7182 32.9058 175.3873 52 W 5.7948 8.1163 117.9776 55.3601 31.7884 173.5732 53 N 5.0997 9.4669 117.1412 51.6829 41.6718 173.3452 54 Y 5.4723 8.5858 117.6442 56.7104 41.1841 175.3015 55 T 4.5491 9.3480 120.0414 61.9815 71.7185 173.6634 56 V 4.5111 8.5577 127.7651 61.4546 30.8964 174.9629 57 T 4.2444 8.5816 116.9745 61.1737 70.0507 173.3060 58 W 5.5253 8.6667 132.8460 56.0225 34.5616 174.2753 59 D 3.8358 7.8160 125.4206 52.5459 43.3023 174.0442 60 P 4.1268 0.0000 0.0000 64.3050 31.7769 176.5702 61 N 4.8714 8.4074 116.8924 52.7918 38.9856 173.5524 62 R 5.1226 7.7202 118.1768 54.6475 34.1665 173.3948 63 Y 4.8375 9.0300 126.0235 54.9510 41.6038 172.9043 64 P 3.8070 0.0000 0.0000 62.4365 32.2291 176.5708 65 S 4.5546 8.6133 118.0122 60.8472 64.0171 173.8402 66 E 4.9772 8.0112 119.0663 54.8522 30.6994 176.0159 67 V 4.2469 8.4746 125.2689 60.8647 34.3046 174.6080 68 V 4.3987 8.4847 129.0308 62.6578 32.1432 174.9622 69 Q 4.8081 9.4929 127.6013 54.3556 31.0435 174.6696 70 A 5.2937 8.5522 124.5917 50.4919 21.6725 176.1411 71 Q 4.4457 9.0126 121.1646 54.1646 32.4852 173.8355 72 C 4.8442 8.9710 124.3063 57.5857 40.1691 174.2942 73 R 4.0118 9.0817 123.6263 58.4626 30.3591 176.1856 74 N 5.1148 7.9215 113.6410 50.9633 42.8298 173.9126 75 L 4.1234 8.6342 120.3728 57.1094 42.5919 175.7318 76 G 5.1350 8.6021 105.4416 44.7854 0.0000 171.9830 77 C 5.1653 8.6477 116.4296 55.7683 43.1893 172.8041 78 I 5.0470 8.6861 121.4981 60.1029 38.9655 175.5456 79 N 5.0014 8.5366 123.0549 51.0066 40.0140 174.8983 80 A 4.0160 8.7810 120.4467 55.8086 18.4052 179.1963 81 Q 4.0230 8.0811 113.4238 57.5182 29.0614 177.0965 82 G 4.1215 8.2689 106.0227 44.9335 0.0000 172.9694 83 K 4.6469 8.3100 118.7704 54.1099 34.6574 175.5228 84 E 4.5278 8.7148 124.7785 56.2443 30.8934 175.7313 85 D 4.9102 9.4451 126.7672 52.1776 42.7261 176.0939 86 I 4.0361 8.4042 117.7984 61.6970 37.8264 177.4356 87 S 4.2949 8.5311 116.5944 60.3772 63.5676 173.9352 88 M 4.7818 8.1967 121.3699 53.5314 34.7302 174.5963 89 N 5.3943 8.7925 119.9663 51.8739 41.5648 174.1668 90 S 5.1168 8.4873 119.1373 57.4729 63.9677 174.1425 91 V 4.6531 8.6844 118.6832 58.6016 35.1838 173.9023 92 P 4.7883 0.0000 0.0000 62.7053 32.8191 175.3596 93 I 4.4189 8.1608 121.5004 59.7281 39.7550 174.4969 94 Q 5.0019 8.6652 126.0989 54.1492 30.8702 174.7709 95 Q 4.6012 9.2098 124.9254 54.1346 32.0052 173.6918 96 E 4.5777 8.7538 127.4541 55.9366 30.9181 174.8892 97 T 4.8063 9.0033 120.6547 60.5088 71.9499 171.7054 98 L 5.4362 8.4270 121.7236 53.0460 44.7591 176.8044 99 V 4.6648 8.7646 114.7871 59.7937 36.8088 174.2008 100 V 4.6473 9.1397 123.0432 61.5461 33.4587 174.4611 101 R 4.9665 9.3543 129.1569 54.8791 32.2191 174.7605 102 R 4.6943 8.6619 127.0869 55.2204 30.8851 175.4966 103 K 4.3549 8.8766 126.9905 56.0217 34.8201 177.1459 104 H 4.3060 8.6659 120.1696 55.3666 27.2841 172.8538 105 Q 4.5467 7.8070 119.6817 54.8822 32.4416 174.6333 106 G 3.9551 8.3607 106.2619 45.7576 0.0000 173.2746 107 C 4.4180 8.5934 116.7576 60.4837 28.7478 173.4455 108 S 4.5981 7.1961 114.8145 58.3486 63.2045 174.8703 109 V 4.0778 7.5852 120.7105 62.9588 32.2664 175.3006 110 S 4.5459 8.4790 117.2302 56.8824 67.0813 172.3217 111 F 5.4092 8.4934 117.2230 55.9736 42.7390 174.5362 112 Q 4.5801 9.2514 121.2983 54.6395 32.6485 174.0198 113 L 4.7113 8.4247 125.5649 54.8212 42.8447 175.8988 114 E 4.6765 9.1284 122.0913 54.3835 33.5995 173.8275 115 K 5.0650 8.6986 127.2472 54.8102 33.7497 175.5803 116 V 4.5327 8.5523 126.8127 59.8358 34.5880 174.5325 117 L 4.8271 8.5515 123.8687 53.8777 43.0054 176.0556 118 V 4.5817 9.0520 123.4612 61.3825 34.8373 174.2737 119 T 4.7297 9.2874 124.9884 62.6086 69.2160 175.4966 120 V 3.8653 9.0552 127.1991 62.7767 32.5665 176.1949 121 G 2.0000 6.1379 106.4045 45.0212 0.0000 171.2759 122 C 5.3285 5.7800 115.3812 55.2778 44.2104 173.2822 123 T 4.7692 8.7324 114.9073 60.5612 71.3593 171.2484 124 C 5.3611 8.7465 123.5715 54.9271 44.6408 173.0943 125 V 4.6958 8.9228 119.4305 59.7149 35.3283 174.3535 126 T 4.9293 8.1992 112.3931 59.2518 69.9580 173.1739 127 P 4.4103 0.0000 0.0000 62.7270 32.1231 176.5662 128 V 3.9535 8.1520 117.8750 61.8923 31.5656 175.6904 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 *8 H 8.29 4.81 0.00 2.85 2.14 0.00 7.15 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.80 4.25 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 1.28 0.00 0.00 10 F 8.62 3.90 0.00 2.84 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 11 F 7.93 4.61 0.00 3.19 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 12 Q 7.44 4.46 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 13 K 7.97 4.69 0.00 1.68 1.65 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.43 7.81 14 P 0.00 4.40 0.00 2.17 1.96 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 15 E 8.94 3.91 0.00 1.93 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 2.30 2.30 0.00 16 S 7.91 4.50 0.00 4.01 3.94 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 0.00 0.00 0.00 17 C 7.23 4.80 0.00 3.02 2.85 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 18 P 0.00 4.21 0.00 2.03 2.02 0.00 3.70 0.00 0.00 3.65 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 19 P 0.00 4.37 0.00 2.03 2.01 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 20 V 7.96 4.37 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 1.05 0.00 0.00 0.94 0.00 0.00 21 P 0.00 4.28 0.00 2.07 2.01 0.00 3.78 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 2.04 2.12 0.00 22 G 8.95 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 23 G 7.75 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 0.00 0.00 0.00 24 S 7.94 4.78 0.00 3.86 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 25 M 8.20 4.61 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 26 K 8.40 4.24 0.00 1.73 1.73 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 27 L 8.30 4.60 0.00 1.61 1.55 0.89 1.10 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 28 D 8.47 4.55 0.00 2.70 2.57 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 29 I 7.93 3.88 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 0.86 0.00 0.00 30 G 8.72 3.84 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 0.00 0.00 0.00 31 I 8.00 4.32 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.19 0.95 0.00 0.00 32 I 8.26 3.92 1.88 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 1.42 0.47 0.92 0.00 0.00 33 N 8.97 4.24 0.00 2.91 3.02 0.00 0.00 6.69 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 34 E 7.89 4.10 0.00 2.06 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 2.37 2.34 0.00 35 N 7.97 4.60 0.00 2.88 2.93 0.00 0.00 6.07 7.39 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 36 Q 7.64 4.08 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 37 R 8.20 4.71 0.00 1.75 1.79 0.00 3.37 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 38 V 8.27 3.79 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 0.68 0.00 0.00 0.96 0.00 0.00 39 S 8.58 4.62 0.00 3.81 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 40 M 8.31 4.95 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 41 S 8.63 4.29 0.00 3.88 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 42 R 8.41 4.13 0.00 1.99 2.05 0.00 3.11 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 43 N 8.84 4.43 0.00 2.87 2.84 0.00 0.00 6.73 7.31 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 44 I 7.13 3.62 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.39 1.05 0.00 0.00 45 E 7.53 2.54 0.00 1.16 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 1.83 1.73 0.00 46 S 7.54 4.23 0.00 3.82 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 47 R 7.64 4.01 0.00 1.70 1.94 0.00 3.18 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 48 S 6.76 4.32 0.00 3.94 3.62 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 49 T 8.55 4.09 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 1.22 0.00 0.00 50 S 7.97 4.98 0.00 3.93 3.94 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 0.00 0.00 0.00 51 P 0.00 4.57 0.00 2.05 1.99 0.00 3.57 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 52 W 8.12 5.79 0.00 3.11 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 53 N 9.47 5.10 0.00 2.62 2.76 0.00 0.00 7.22 7.34 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 54 Y 8.59 5.47 0.00 2.90 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 55 T 9.35 4.55 4.32 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 1.27 0.00 0.00 56 V 8.56 4.51 2.11 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 0.89 0.00 0.00 0.94 0.00 0.00 57 T 8.58 4.24 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 58 W 8.67 5.53 0.00 3.21 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 59 D 7.82 3.84 0.00 2.57 2.23 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 60 P 0.00 4.13 0.00 2.07 1.94 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 61 N 8.41 4.87 0.00 2.76 2.74 0.00 0.00 6.26 7.93 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 62 R 7.72 5.12 0.00 1.80 1.73 0.00 2.99 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 63 Y 9.03 4.84 0.00 3.05 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 64 P 0.00 3.81 0.00 1.83 1.39 0.00 3.69 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 65 S 8.61 4.55 0.00 3.82 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 66 E 8.01 4.98 0.00 1.85 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 2.40 2.47 0.00 67 V 8.47 4.25 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 0.93 0.00 0.00 0.88 0.00 0.00 68 V 8.48 4.40 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 0.81 0.00 0.00 0.86 0.00 0.00 69 Q 9.49 4.81 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 70 A 8.55 5.29 0.97 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 71 Q 9.01 4.45 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 72 C 8.97 4.84 0.00 2.91 3.06 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 73 R 9.08 4.01 0.00 1.80 2.00 0.00 3.55 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 74 N 7.92 5.11 0.00 2.87 2.93 0.00 0.00 6.86 7.85 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 75 L 8.63 4.12 0.00 1.73 1.65 0.92 0.87 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 76 G 8.60 5.13 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 77 C 8.65 5.17 0.00 2.89 3.12 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 0.00 78 I 8.69 5.05 1.87 0.00 0.00 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 1.48 0.81 0.94 0.00 0.00 79 N 8.54 5.00 0.00 2.83 2.96 0.00 0.00 6.83 7.36 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 80 A 8.78 4.02 1.31 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 0.00 0.00 0.00 81 Q 8.08 4.02 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.16 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 82 G 8.27 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 0.00 0.00 0.00 0.00 83 K 8.31 4.65 0.00 1.78 1.70 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.50 7.81 84 E 8.71 4.53 0.00 1.98 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 2.29 2.31 0.00 85 D 9.45 4.91 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 4.04 1.87 0.00 0.00 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 1.47 0.71 0.91 0.00 0.00 87 S 8.53 4.29 0.00 3.99 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 88 M 8.20 4.78 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 89 N 8.79 5.39 0.00 2.68 2.70 0.00 0.00 6.77 7.33 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 90 S 8.49 5.12 0.00 4.03 3.84 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 91 V 8.68 4.65 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 0.74 0.00 0.00 0.97 0.00 0.00 92 P 0.00 4.79 0.00 1.98 1.96 0.00 3.67 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 1.93 1.95 0.00 93 I 8.16 4.42 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.83 0.00 0.00 94 Q 8.67 5.00 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 95 Q 9.21 4.60 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 96 E 8.75 4.58 0.00 2.00 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 0.00 2.25 2.29 0.00 97 T 9.00 4.81 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 98 L 8.43 5.44 0.00 1.51 1.53 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.76 4.66 2.23 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 0.66 0.00 0.00 0.99 0.00 0.00 100 V 9.14 4.65 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 1.07 0.00 0.00 0.95 0.00 0.00 101 R 9.35 4.97 0.00 2.03 1.83 0.00 3.09 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 102 R 8.66 4.69 0.00 2.02 1.97 0.00 3.40 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 103 K 8.88 4.35 0.00 1.39 1.24 0.00 1.87 0.00 0.00 1.51 0.00 0.00 2.61 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.26 7.81 104 H 8.67 4.31 0.00 3.33 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 7.81 4.55 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.69 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 106 G 8.36 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 0.00 107 C 8.59 4.42 0.00 2.96 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 0.00 108 S 7.20 4.60 0.00 3.73 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 0.00 109 V 7.59 4.08 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 0.70 0.00 0.00 0.50 0.00 0.00 110 S 8.48 4.55 0.00 3.79 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 0.00 111 F 8.49 5.41 0.00 2.87 2.94 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 0.00 0.00 0.00 112 Q 9.25 4.58 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 113 L 8.42 4.71 0.00 1.47 1.54 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.13 4.68 0.00 1.97 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 0.00 2.18 2.21 0.00 115 K 8.70 5.06 0.00 1.79 1.68 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.41 7.81 116 V 8.55 4.53 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 0.78 0.00 0.00 0.92 0.00 0.00 117 L 8.55 4.83 0.00 1.54 1.62 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.05 4.58 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 1.03 0.00 0.00 0.92 0.00 0.00 119 T 9.29 4.73 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 1.08 0.00 0.00 120 V 9.06 3.87 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 0.72 0.00 0.00 0.89 0.00 0.00 121 G 6.14 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 0.00 0.00 0.00 0.00 0.00 0.00 122 C 5.78 5.33 0.00 3.21 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 0.00 123 T 8.73 4.77 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 0.00 124 C 8.75 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 0.00 125 V 8.92 4.70 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 0.73 0.00 0.00 1.01 0.00 0.00 126 T 8.20 4.93 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 1.21 0.00 0.00 127 P 0.00 4.41 0.00 2.20 2.34 0.00 3.74 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 1.99 2.01 0.00 128 V 8.15 3.95 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.