NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8998 8.1476 120.6201 55.5599 34.1022 173.8954 2 V 4.9115 8.8226 125.0405 59.0030 35.1999 172.4915 3 L 4.4605 9.2946 126.4765 53.3241 44.6389 176.1024 4 I 4.8904 8.6307 127.6598 59.7039 39.6075 174.3948 5 L 5.0633 8.8220 127.9124 52.8388 44.5797 175.5418 6 N 5.3285 8.8727 119.8555 51.7362 42.3459 175.0538 7 G 4.4521 8.6503 112.6857 43.2957 0.0000 171.2434 8 P 4.4002 0.0000 0.0000 64.4806 31.7606 177.7168 9 N 4.6452 9.3192 116.8878 53.9303 38.0101 176.5681 10 L 3.9560 7.5658 118.1815 57.2237 42.0301 178.9251 11 N 4.3360 8.3376 115.8906 55.4497 37.4479 175.9138 12 L 4.5172 8.0128 118.3822 54.2957 41.8675 176.0540 13 L 4.1197 7.5390 121.3239 55.7090 41.8284 176.8868 14 G 3.8184 8.7583 115.3980 45.9646 0.0000 174.7635 15 R 4.3190 7.6967 117.8396 56.8790 30.8220 177.1876 16 R 4.0885 7.6487 114.8605 55.6308 27.9701 176.3001 17 E 4.2879 8.6370 124.0011 56.5123 29.6087 172.4135 18 P 4.7610 0.0000 0.0000 63.4331 32.3436 176.5065 19 E 4.3054 7.9860 116.1981 57.8563 30.6184 177.6125 20 V 3.4835 7.7581 117.7516 64.8966 31.8003 176.6174 21 Y 4.4989 7.8085 117.3818 59.3317 39.3036 177.1524 22 G 4.0054 8.7486 106.1244 44.5719 0.0000 172.6914 23 R 4.5373 8.3262 112.8950 55.8928 31.0684 175.5169 24 T 4.2218 7.8492 114.4543 62.2319 68.0184 174.3693 25 T 4.8609 8.4645 120.8988 59.8883 71.5362 175.9438 26 L 3.8899 8.2243 122.2041 58.3799 42.1384 178.0733 27 E 3.7651 8.2331 117.8354 60.1723 29.3321 179.3858 28 E 3.8692 8.5973 118.3446 59.0912 29.3996 179.3877 29 L 3.7102 7.9315 121.3431 57.7635 42.0655 178.7573 30 E 2.8101 7.6663 117.7356 58.7088 29.3222 178.6380 31 A 3.7136 7.5320 121.6557 54.8373 18.4182 179.1254 32 L 3.1310 7.6072 116.8133 58.2711 41.7707 180.0784 33 C 4.3141 7.8183 115.9071 62.3540 27.9858 175.8563 34 E 3.9359 8.1045 121.4548 58.8974 29.0998 178.6681 35 A 3.8854 7.8611 120.8824 55.0349 17.9600 179.6721 36 W 4.4051 7.9513 117.6708 59.7371 29.0428 179.0380 37 G 3.6814 8.4377 105.4878 47.7779 0.0000 175.5809 38 A 4.0154 8.5512 124.5621 54.5113 18.2453 179.0716 39 E 3.9556 8.5492 115.6676 59.3644 29.7332 179.8169 40 L 4.6687 7.6735 118.6799 55.6035 41.8485 176.2377 41 G 4.0098 8.1207 103.9259 47.4652 0.0000 173.0756 42 L 4.6283 7.9334 121.3001 52.7035 43.6192 176.2738 43 G 3.9937 8.6880 113.8805 46.3433 0.0000 172.5646 44 V 5.4692 8.3174 115.4957 59.4217 35.8732 175.0375 45 V 4.6522 8.6940 122.9955 59.9329 34.9763 174.4457 46 F 5.0004 8.6002 123.5812 56.8699 41.9317 173.7221 47 R 4.6190 8.1732 124.1800 54.7038 34.6641 174.1247 48 Q 5.2668 8.4622 120.7705 55.5664 32.3342 173.2829 49 T 4.9062 9.2465 119.6259 61.0547 71.3562 173.6928 50 N 4.8337 9.0970 121.3147 53.5170 39.6057 175.1247 51 Y 4.5193 7.7061 117.4348 55.3885 40.8503 175.5061 52 E 3.9766 8.9733 125.8981 59.6451 29.7909 179.2778 53 G 3.5966 8.0687 104.7472 47.4257 0.0000 175.3932 54 Q 3.4905 7.8298 121.5161 58.8085 29.0256 177.7471 55 L 3.9632 7.4516 119.5297 57.9332 41.7096 179.5299 56 I 3.6730 7.6802 119.4637 64.5780 37.0552 178.3443 57 E 3.9950 7.8462 118.7983 59.2323 28.8094 179.5530 58 W 4.4690 8.1633 119.0575 59.9388 28.8981 179.0547 59 V 3.5274 8.0711 111.6507 64.2314 31.0480 178.3774 60 Q 4.1996 8.1861 117.4730 58.1394 28.8652 177.2713 61 Q 4.4313 8.1136 118.1949 56.0797 29.3670 177.0193 62 A 4.2451 7.6649 122.1163 56.2756 18.4912 179.4519 63 H 4.2636 8.3520 113.3288 58.9708 28.3897 177.5446 64 Q 3.9427 7.7400 119.3669 58.7449 28.6888 177.9454 65 E 4.3018 7.8961 115.7434 56.3787 29.6000 177.5564 66 G 3.8070 8.2615 107.6519 45.7538 0.0000 174.1693 67 F 4.4456 8.0458 117.5921 57.2216 39.4502 175.0807 68 L 4.5946 8.8029 124.7215 56.5405 43.1989 176.1878 69 A 4.8119 7.7588 117.6540 51.0781 22.6059 175.0362 70 I 5.0289 8.6829 120.4918 59.4650 40.8175 174.8236 71 V 4.7599 8.4456 125.5645 61.0988 34.2505 174.3166 72 L 4.9033 8.7513 129.0972 53.7596 45.3487 174.5324 73 N 4.7311 8.8949 127.0452 50.6890 38.9092 173.5380 74 P 4.3831 0.0000 0.0000 62.3723 32.5936 178.2137 75 G 4.1480 8.3681 108.2120 45.9975 0.0000 174.9271 76 A 4.4224 8.6583 121.2022 54.7234 18.8773 179.5503 77 L 3.5855 7.6700 115.1537 56.9542 41.5624 179.1392 78 T 3.8582 7.9514 109.9936 64.0880 68.3380 175.0265 79 H 5.0759 7.8807 116.8128 56.0273 29.6378 174.8210 80 Y 4.5980 7.2206 114.6936 56.4357 40.5971 175.4561 81 S 4.2920 7.3977 117.1380 57.1862 61.2094 173.6638 82 Y 4.2691 8.0838 124.5461 59.8251 37.7984 177.3917 83 A 4.0026 7.9956 121.9605 55.1797 18.6493 179.1983 84 L 3.9000 7.7408 118.4300 57.9221 42.1530 178.8614 85 L 3.9364 7.6524 119.9293 58.5025 42.1401 178.9226 86 D 4.4347 8.3616 118.3103 56.8599 40.4346 178.7564 87 A 3.9709 7.7908 121.0080 55.2550 18.5328 179.1404 88 I 3.7536 7.7830 117.1252 64.2983 37.7824 178.0562 89 R 3.9140 7.7067 117.0150 58.2677 30.1194 178.1014 90 A 4.2453 8.0080 119.6320 52.5241 18.7648 176.9314 91 Q 4.6769 6.9049 114.2365 53.6944 31.3274 173.8827 92 P 4.5963 0.0000 0.0000 62.9276 32.1763 176.1047 93 L 4.2756 7.8184 120.1354 53.6079 42.3705 174.9541 94 P 4.4488 0.0000 0.0000 63.2984 32.5561 175.0653 95 V 4.8705 8.4309 121.9439 61.0970 34.9880 173.8070 96 V 4.7161 8.6584 127.6740 61.1535 33.8559 174.1878 97 E 4.8734 8.6757 128.9408 55.6686 31.5982 175.0436 98 V 4.9007 8.1949 123.7687 61.9873 35.6254 173.3263 99 H 5.0367 9.1598 122.2330 54.6258 33.3676 174.4642 100 L 4.3670 8.9360 120.3134 57.6101 42.7207 177.7870 101 T 4.4729 7.8288 106.8336 59.9321 70.5390 173.6376 102 N 4.3980 8.2139 120.8541 52.6718 38.8027 175.7384 103 L 3.8686 8.2592 126.8924 58.0542 41.8857 178.5110 104 H 4.5631 8.1065 112.9895 56.5148 28.6733 175.3887 105 A 4.7835 7.6034 122.1753 51.7075 19.7478 176.6236 106 R 4.5781 7.2245 119.1814 56.4767 32.4479 175.3689 107 E 4.0643 8.3403 119.5774 57.1227 30.4688 177.3432 108 E 3.9105 8.9106 122.0414 59.4044 30.1027 179.3311 109 F 4.3422 8.1064 112.9461 59.4351 38.0739 176.9270 110 R 4.0614 6.5985 119.2996 57.9166 29.9653 177.7718 111 R 4.0782 7.7404 116.6890 57.7045 30.3956 176.0190 112 H 4.8500 7.7132 112.9407 53.5571 30.0147 174.0831 113 S 4.6850 8.4517 118.0939 56.4962 63.3432 174.0061 114 V 3.8129 8.5959 122.4431 63.2453 32.0002 178.0187 115 T 4.0210 7.8389 110.3198 64.1735 69.3559 176.6835 116 A 4.0510 8.0465 125.2428 54.3052 18.5245 177.5992 117 P 4.1583 0.0000 0.0000 64.9860 31.4092 176.7944 118 A 4.5963 7.8848 118.4290 51.8719 19.4992 176.2653 119 C 4.6024 7.7750 114.5339 58.6479 29.5388 173.6773 120 R 4.0263 8.4262 124.2992 59.4900 29.9798 176.2128 121 G 4.0969 7.4818 102.6494 45.6093 0.0000 170.6210 122 I 5.2185 8.0326 118.6032 59.4508 41.2853 175.0326 123 V 4.7811 8.5212 121.2378 59.6996 35.2318 174.7394 124 S 5.6139 8.3517 117.9562 58.8484 65.4703 174.4652 125 G 3.7551 9.0657 109.0027 45.6455 0.0000 173.9399 126 F 4.7521 8.1421 118.3622 56.3208 39.8574 177.1108 127 G 4.3205 8.3172 110.7182 45.7032 0.0000 173.7306 128 P 4.4991 0.0000 0.0000 66.1308 31.2809 177.9125 129 L 3.8453 7.9653 116.0282 56.8292 41.3878 179.4517 130 S 4.2472 8.6440 116.3694 61.8221 62.7287 176.1425 131 Y 4.0113 8.4066 118.9956 60.8376 37.6934 178.2408 132 K 3.8383 8.1093 120.0982 59.5797 32.1266 178.5651 133 L 3.8487 7.9735 119.0058 57.7413 41.4941 179.4332 134 A 4.0940 7.8992 120.3134 54.8771 18.1893 179.7482 135 L 4.0034 8.1643 117.9553 58.1120 41.3747 180.0516 136 V 3.6618 7.8801 118.9534 64.8796 30.7956 177.8004 137 Y 4.0287 7.7858 119.4270 60.6808 38.9495 177.5674 138 L 3.8791 8.1473 119.6978 57.6181 41.4521 178.8046 139 A 3.9115 8.0609 119.9970 55.8035 18.3633 179.1584 140 E 3.8915 7.7481 115.6514 57.4899 30.0817 176.9414 141 T 4.2661 7.1609 117.7563 62.1925 70.8323 174.8487 *142 L 4.1415 8.4181 124.1889 54.5803 41.6354 174.8064 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 M 8.15 4.90 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.61 0.00 2 V 8.82 4.91 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 0.74 0.00 0.00 1.02 0.00 0.00 3 L 9.29 4.46 0.00 0.97 1.13 0.52 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.63 4.89 1.94 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 1.01 0.00 0.00 5 L 8.82 5.06 0.00 1.53 1.61 1.03 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.87 5.33 0.00 2.69 2.67 0.00 0.00 6.65 7.09 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 7 G 8.65 4.45 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 8 P 0.00 4.40 0.00 2.12 1.99 0.00 4.13 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 9 N 9.32 4.65 0.00 2.90 2.93 0.00 0.00 6.90 6.30 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 10 L 7.57 3.96 0.00 1.84 1.78 1.11 1.05 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 11 N 8.34 4.34 0.00 2.90 3.33 0.00 0.00 6.26 6.67 0.00 0.00 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 L 8.01 4.52 0.00 1.79 1.68 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.54 4.12 0.00 1.83 1.74 0.79 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.76 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 15 R 7.70 4.32 0.00 1.85 2.00 0.00 3.34 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 16 R 7.65 4.09 0.00 2.13 2.13 0.00 2.83 0.00 0.00 2.84 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 17 E 8.64 4.29 0.00 2.22 2.20 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 2.24 2.35 0.00 18 P 0.00 4.76 0.00 2.30 2.28 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 19 E 7.99 4.31 0.00 1.93 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 2.22 2.27 0.00 20 V 7.76 3.48 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 0.23 0.00 0.00 0.88 0.00 0.00 21 Y 7.81 4.50 0.00 3.30 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 22 G 8.75 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 0.00 0.00 0.00 23 R 8.33 4.54 0.00 1.98 2.16 0.00 3.00 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 1.59 1.58 0.00 24 T 7.85 4.22 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 1.27 0.00 0.00 25 T 8.46 4.86 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 1.23 0.00 0.00 26 L 8.22 3.89 0.00 1.81 1.72 1.14 1.02 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 E 8.23 3.77 0.00 1.93 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 2.34 0.00 28 E 8.60 3.87 0.00 2.00 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 2.25 2.24 0.00 29 L 7.93 3.71 0.00 1.79 1.60 0.76 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.67 2.81 0.00 1.47 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 1.93 2.00 0.00 31 A 7.53 3.71 1.19 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 0.00 0.00 32 L 7.61 3.13 0.00 1.45 0.71 0.62 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.82 4.31 0.00 2.98 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 34 E 8.10 3.94 0.00 1.97 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 0.00 2.23 2.27 0.00 35 A 7.86 3.89 1.11 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 0.00 0.00 36 W 7.95 4.41 0.00 3.51 3.13 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 37 G 8.44 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 0.00 0.00 0.00 38 A 8.55 4.02 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 39 E 8.55 3.96 0.00 2.14 2.20 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 2.75 2.45 0.00 40 L 7.67 4.67 0.00 1.85 1.84 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.12 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 0.00 0.00 0.00 42 L 7.93 4.63 0.00 1.77 1.63 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.69 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 44 V 8.32 5.47 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 0.92 0.00 0.00 1.04 0.00 0.00 45 V 8.69 4.65 2.21 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 1.12 0.00 0.00 0.88 0.00 0.00 46 F 8.60 5.00 0.00 2.98 2.86 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 47 R 8.17 4.62 0.00 0.69 0.66 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.93 0.00 48 Q 8.46 5.27 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 49 T 9.25 4.91 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 1.16 0.00 0.00 50 N 9.10 4.83 0.00 2.73 2.68 0.00 0.00 6.74 7.46 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 51 Y 7.71 4.52 0.00 2.75 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 52 E 8.97 3.98 0.00 1.99 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 2.34 2.31 0.00 53 G 8.07 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.83 3.49 0.00 1.75 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.00 55 L 7.45 3.96 0.00 1.89 1.68 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.68 3.67 1.97 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 0.96 0.89 0.00 0.00 57 E 7.85 4.00 0.00 1.90 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 2.27 2.48 0.00 58 W 8.16 4.47 0.00 3.49 3.02 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 0.00 59 V 8.07 3.53 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 0.88 0.00 0.00 0.96 0.00 0.00 60 Q 8.19 4.20 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 61 Q 8.11 4.43 0.00 2.53 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 62 A 7.66 4.25 1.34 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 0.00 0.00 63 H 8.35 4.26 0.00 3.49 3.65 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.74 3.94 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.16 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 65 E 7.90 4.30 0.00 2.32 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 2.41 2.39 0.00 66 G 8.26 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 0.00 0.00 0.00 67 F 8.05 4.45 0.00 3.08 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 68 L 8.80 4.59 0.00 1.66 1.92 0.93 0.94 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 69 A 7.76 4.81 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 70 I 8.68 5.03 1.87 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 1.05 0.75 0.92 0.00 0.00 71 V 8.45 4.76 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 0.99 0.00 0.00 0.99 0.00 0.00 72 L 8.75 4.90 0.00 1.72 1.40 0.92 0.25 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 73 N 8.89 4.73 0.00 2.73 2.78 0.00 0.00 7.07 7.32 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 74 P 0.00 4.38 0.00 2.23 1.99 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 75 G 8.37 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 0.00 0.00 0.00 0.00 76 A 8.66 4.42 1.54 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 0.00 0.00 77 L 7.67 3.59 0.00 1.70 1.43 0.83 0.31 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 78 T 7.95 3.86 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 1.23 0.00 0.00 79 H 7.88 5.08 0.00 3.47 3.65 0.00 5.63 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 80 Y 7.22 4.60 0.00 2.99 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 81 S 7.40 4.29 0.00 3.40 3.61 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 82 Y 8.08 4.27 0.00 3.12 2.91 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 83 A 8.00 4.00 1.32 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 84 L 7.74 3.90 0.00 1.75 1.72 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.65 3.94 0.00 1.83 1.95 1.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.36 4.43 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 3.97 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 88 I 7.78 3.75 1.88 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 1.52 1.33 0.96 0.00 0.00 89 R 7.71 3.91 0.00 1.87 1.98 0.00 3.39 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 90 A 8.01 4.25 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 91 Q 6.90 4.68 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 92 P 0.00 4.60 0.00 2.17 2.15 0.00 3.68 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 93 L 7.82 4.28 0.00 1.87 1.69 1.10 1.12 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 94 P 0.00 4.45 0.00 2.20 2.26 0.00 3.79 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 2.13 2.03 0.00 95 V 8.43 4.87 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 0.96 0.00 0.00 0.99 0.00 0.00 96 V 8.66 4.72 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 0.82 0.00 0.00 0.97 0.00 0.00 97 E 8.68 4.87 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 2.28 2.31 0.00 98 V 8.19 4.90 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 -0.14 0.00 0.00 0.77 0.00 0.00 99 H 9.16 5.04 0.00 3.17 3.13 0.00 5.68 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 0.00 100 L 8.94 4.37 0.00 1.86 1.91 1.18 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.83 4.47 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 0.95 0.00 0.00 102 N 8.21 4.40 0.00 2.57 2.63 0.00 0.00 6.89 6.66 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 0.00 103 L 8.26 3.87 0.00 1.38 1.72 0.62 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.11 4.56 0.00 3.23 3.27 0.00 5.61 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.60 4.78 1.15 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 0.00 0.00 106 R 7.22 4.58 0.00 1.58 1.62 0.00 3.00 0.00 0.00 3.09 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 107 E 8.34 4.06 0.00 1.38 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 2.60 2.37 0.00 108 E 8.91 3.91 0.00 2.00 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 2.42 2.33 0.00 109 F 8.11 4.34 0.00 3.25 3.26 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 0.00 110 R 6.60 4.06 0.00 1.58 1.88 0.00 2.97 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 111 R 7.74 4.08 0.00 1.92 2.06 0.00 3.12 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 112 H 7.71 4.85 0.00 3.38 3.28 0.00 5.51 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.45 4.69 0.00 3.74 3.74 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 0.00 114 V 8.60 3.81 1.61 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 0.22 0.00 0.00 0.56 0.00 0.00 115 T 7.84 4.02 4.19 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 1.13 0.00 0.00 116 A 8.05 4.05 1.35 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 0.00 0.00 0.00 117 P 0.00 4.16 0.00 2.07 2.16 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 118 A 7.88 4.60 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 0.00 119 C 7.78 4.60 0.00 3.07 3.08 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 0.00 120 R 8.43 4.03 0.00 1.98 1.86 0.00 3.53 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 121 G 7.48 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 0.00 0.00 0.00 122 I 8.03 5.22 1.85 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 1.31 0.91 0.89 0.00 0.00 123 V 8.52 4.78 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 0.66 0.00 0.00 1.11 0.00 0.00 124 S 8.35 5.61 0.00 3.92 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 0.00 125 G 9.07 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.14 4.75 0.00 3.23 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 0.00 127 G 8.32 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 0.00 0.00 0.00 0.00 128 P 0.00 4.50 0.00 2.52 2.37 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 129 L 7.97 3.85 0.00 1.99 1.55 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.64 4.25 0.00 4.07 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 0.00 131 Y 8.41 4.01 0.00 3.59 3.32 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 0.00 132 K 8.11 3.84 0.00 0.79 1.18 0.00 1.17 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.03 0.21 7.81 133 L 7.97 3.85 0.00 1.72 1.57 0.22 0.68 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 0.00 134 A 7.90 4.09 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 0.00 135 L 8.16 4.00 0.00 1.94 1.84 1.24 0.80 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 0.00 136 V 7.88 3.66 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 0.81 0.00 0.00 0.92 0.00 0.00 137 Y 7.79 4.03 0.00 3.00 3.22 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 0.00 138 L 8.15 3.88 0.00 1.92 1.71 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.06 3.91 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 0.00 140 E 7.75 3.89 0.00 1.89 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 0.00 2.27 2.30 0.00 141 T 7.16 4.27 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 1.09 0.00 0.00 *142 L 8.42 4.14 0.00 1.41 1.48 0.92 0.77 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 * Residues marked with a * may have inaccurate shift predictions.