NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1789 8.2601 123.5888 53.2552 19.7610 175.7802 3 A 4.0031 9.9867 126.9591 51.2366 18.0176 173.3804 4 V 4.6962 8.1869 117.0389 62.5189 35.2992 172.2346 5 T 4.5774 8.9468 126.1422 61.5920 70.5964 173.8355 6 Q 4.8006 8.7037 125.5359 56.0194 29.9495 175.9915 7 S 4.8008 9.2931 116.9180 56.0520 66.1702 172.6024 8 P 4.8435 0.0000 0.0000 62.2086 33.1094 175.3560 9 R 4.4411 8.4877 116.9391 59.0235 31.0947 176.2261 10 N 5.8546 7.7635 113.2290 51.4620 43.2890 174.2016 11 K 4.3717 8.4032 119.8149 55.6982 35.7856 173.8714 12 V 4.8933 8.5826 127.0921 61.3774 33.4231 174.2723 13 A 5.1082 8.8147 128.3417 50.0005 22.9704 174.8727 14 V 4.4658 7.7076 117.1258 60.1882 34.4524 175.3096 15 T 3.9542 8.3728 119.0924 64.6021 68.7155 174.0175 16 G 3.9308 9.5421 116.2472 45.3869 0.0000 173.1359 17 E 4.2284 8.6730 121.9039 56.0355 31.4439 175.3817 18 K 4.9383 8.4165 121.2175 54.6081 34.1287 176.0507 19 V 4.3897 8.5671 125.3986 61.1793 34.5370 174.4099 20 T 4.8367 8.3401 123.0177 61.8576 71.0714 173.3231 21 L 4.5863 8.4893 127.2492 53.4637 44.1997 176.0278 22 S 5.1598 8.8919 117.2943 56.9619 67.1248 172.0990 23 C 5.2558 9.2696 124.0136 54.9787 46.6268 172.3003 24 Q 5.4521 8.8051 125.5261 54.1714 30.9398 174.7425 25 Q 5.1487 8.6822 121.1167 54.7712 31.4862 175.3128 26 T 4.3906 8.2335 108.6774 61.8091 70.7209 175.2054 27 N 4.4191 8.1527 118.6209 52.7287 38.8312 174.4180 28 N 3.9296 7.1708 115.7961 55.0485 37.8126 172.6821 29 H 4.9216 7.8761 114.6042 54.2444 31.6495 174.8085 30 N 4.5713 8.5839 116.4816 55.2405 39.2725 175.7964 31 N 5.1974 7.8398 115.8805 52.0460 40.3231 174.5196 32 M 5.0652 7.8006 121.8655 53.6538 36.7742 173.8513 33 Y 4.9087 8.8909 118.4858 55.9725 42.8851 174.3571 34 W 5.4736 9.3265 122.3622 55.2708 32.4331 174.2112 35 Y 5.9008 10.0049 121.9571 55.4246 41.7607 174.3729 36 R 4.8540 8.7196 122.3437 54.6497 32.8009 174.6156 37 Q 4.6672 8.9051 128.6558 55.9099 29.2020 175.0851 38 D 4.7462 8.9137 128.4181 52.5217 41.4102 175.4294 39 T 3.8629 8.2130 118.6157 65.3005 68.6711 172.9052 40 G 4.0702 9.7581 115.0612 46.0302 0.0000 173.8073 41 H 4.8882 8.4113 112.9032 54.7880 30.4011 175.5037 42 G 3.6208 8.1082 108.2094 47.1371 0.0000 173.6672 43 L 4.7172 8.4470 124.0236 54.4153 42.3491 176.7853 44 R 4.7974 9.4026 121.1485 54.4305 32.6536 175.1398 45 L 4.7477 8.4706 123.5246 54.2806 42.9439 176.7185 46 I 3.9108 8.5211 121.1347 63.0645 38.1256 175.6556 47 H 5.3742 7.9721 118.5020 54.4141 33.8734 170.9837 48 Y 5.1862 8.7888 117.4105 56.5266 42.3396 173.7014 49 S 4.3388 7.7745 112.7429 57.0583 66.0772 173.8954 50 Y 4.7245 8.3855 124.5214 57.5013 37.9043 174.5001 51 G 4.1778 7.3476 105.2414 42.4090 0.0000 173.6750 52 A 4.2914 8.3218 123.6464 53.4914 18.5421 177.6607 53 G 3.9126 8.7344 110.1991 46.1230 0.0000 172.7445 54 S 4.7821 7.8003 114.1533 56.2973 63.7204 173.6127 55 T 4.5546 8.5179 118.0558 61.1176 69.9157 173.9057 56 E 4.6727 8.5774 125.0033 53.6425 32.8093 175.8546 57 K 4.3384 8.6395 121.6804 56.9940 33.2984 176.7377 58 G 4.0395 8.3290 109.8300 46.2209 0.0000 173.0243 59 D 4.6018 9.5219 122.2388 56.3097 40.5454 177.9674 60 I 4.3651 7.4990 114.5150 59.2994 35.9438 173.1246 61 P 4.7127 0.0000 0.0000 64.2776 33.1833 177.0735 62 D 4.3578 8.2543 120.3962 56.1772 41.3583 176.8066 63 G 3.4705 8.6551 111.3757 45.5249 0.0000 172.2332 *65 Y 5.2448 7.5480 115.6616 58.1036 39.6241 173.8503 66 K 4.6345 8.9860 119.5253 56.0703 36.9247 174.2050 67 A 4.9876 7.9889 120.7381 50.8770 22.5141 175.5286 68 S 4.5346 8.9005 113.0166 56.9926 66.9436 173.7100 69 R 4.9090 8.6749 123.7839 54.1203 28.9373 174.2649 70 P 4.3047 0.0000 0.0000 64.8861 31.7721 176.6556 71 S 4.6000 7.6145 108.7369 57.0350 65.9626 174.3355 72 Q 4.0235 8.8092 122.7529 59.1614 29.1559 178.4728 73 E 4.1782 8.3487 116.6845 58.6294 30.6735 176.4467 74 Q 5.2022 8.0076 120.7866 54.2822 31.8827 174.3210 75 F 5.4501 9.3180 127.9909 56.6359 42.4363 173.4845 76 S 5.2691 9.1797 120.6308 56.5013 66.5230 172.8149 77 L 4.3765 7.3565 122.6942 53.7034 44.4890 175.6490 78 I 4.6855 7.8686 123.8995 60.0969 41.5799 174.2782 79 L 4.6495 8.5284 128.9837 53.4695 42.1349 177.4041 80 E 4.0908 8.7478 122.9146 56.4057 29.7305 177.4607 81 S 5.9164 7.6010 129.0213 57.8466 62.8931 175.0400 82 A 4.0077 9.1020 128.0858 52.5204 19.3226 177.3242 83 T 4.9032 8.0183 110.3592 58.7332 72.4563 173.0007 84 P 4.4919 0.0000 0.0000 65.2309 31.1501 178.5500 85 S 4.2052 8.1503 112.3747 60.4435 62.7758 174.5063 86 Q 4.6211 7.8686 118.5003 56.3278 28.5121 175.2734 87 T 4.4390 7.9141 116.2959 64.5060 69.1005 174.1995 88 S 4.4495 8.4712 120.9550 58.1145 68.6800 174.3705 89 V 4.5803 7.8982 120.3539 62.3848 32.5747 174.1528 90 Y 5.4071 8.9641 124.5909 56.3237 41.4692 174.5748 91 F 5.3680 10.2082 122.1014 55.8801 43.0308 171.7200 92 C 4.9422 10.2086 118.2208 53.8208 44.3283 172.4728 93 A 5.2529 8.7949 121.7901 50.6336 23.2219 174.6070 94 S 5.1032 8.7693 111.9886 56.9090 66.3511 173.6855 95 G 4.6097 9.3028 108.1691 44.7914 0.0000 172.6066 96 G 4.0488 8.7033 109.8257 45.1588 0.0000 172.2604 97 G 4.1813 8.7269 116.2579 45.2690 0.0000 174.8415 98 G 3.6196 8.6033 110.4409 48.0937 0.0000 173.5382 99 T 3.8846 7.5206 117.0103 63.1251 68.4361 173.4340 100 L 4.4651 8.2227 127.2511 54.4059 42.9312 177.2347 101 Y 4.4832 8.5857 121.6090 56.0324 37.7304 174.5602 *108 F 4.9761 8.0327 120.8229 57.3358 41.2182 174.2657 109 G 4.2087 8.7156 107.6197 43.5508 0.0000 174.7472 110 A 4.0133 8.6413 122.8572 53.3826 18.5890 179.2394 111 G 3.5500 9.4158 99.8226 45.8646 0.0000 174.2604 112 T 5.1625 7.5765 115.3418 61.8549 72.2250 172.9490 113 R 4.2901 8.7192 127.8201 56.8140 31.3813 174.7129 114 L 5.0226 9.3055 130.5289 53.4984 44.2848 174.7313 115 S 4.9382 8.6852 121.5408 56.5497 64.4630 172.8369 116 V 4.6871 8.2834 126.1720 60.9793 33.9448 175.0717 117 L 4.3074 8.2214 127.4367 54.9156 41.1920 177.2080 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 2 A 8.26 4.18 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.99 4.00 1.51 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 0.00 0.00 4 V 8.19 4.70 2.30 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 0.83 0.00 0.00 0.94 0.00 0.00 5 T 8.95 4.58 4.27 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 1.25 0.00 0.00 6 Q 8.70 4.80 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 7 S 9.29 4.80 0.00 3.88 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 4.84 0.00 2.24 2.10 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 9 R 8.49 4.44 0.00 1.91 1.97 0.00 3.33 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 1.62 0.00 10 N 7.76 5.85 0.00 2.60 2.66 0.00 0.00 7.03 7.61 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 11 K 8.40 4.37 0.00 1.83 1.60 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.45 7.81 12 V 8.58 4.89 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 0.88 0.00 0.00 0.94 0.00 0.00 13 A 8.81 5.11 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 14 V 7.71 4.47 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 0.82 0.00 0.00 0.92 0.00 0.00 15 T 8.37 3.95 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 1.20 0.00 0.00 16 G 9.54 3.93 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 0.00 0.00 0.00 17 E 8.67 4.23 0.00 1.97 2.04 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 2.27 2.25 0.00 18 K 8.42 4.94 0.00 1.60 1.65 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.34 7.81 19 V 8.57 4.39 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 0.90 0.00 0.00 0.87 0.00 0.00 20 T 8.34 4.84 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 1.13 0.00 0.00 21 L 8.49 4.59 0.00 0.82 1.42 0.12 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.89 5.16 0.00 3.82 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 23 C 9.27 5.26 0.00 2.97 3.34 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 24 Q 8.81 5.45 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.49 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 25 Q 8.68 5.15 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 26 T 8.23 4.39 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 1.19 0.00 0.00 27 N 8.15 4.42 0.00 2.10 2.28 0.00 0.00 7.13 8.00 0.00 0.00 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 N 7.17 3.93 0.00 2.70 2.79 0.00 0.00 6.97 8.01 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 29 H 7.88 4.92 0.00 3.10 3.18 0.00 5.89 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 30 N 8.58 4.57 0.00 2.73 2.89 0.00 0.00 6.86 8.00 0.00 0.00 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 7.84 5.20 0.00 3.01 2.67 0.00 0.00 7.37 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 32 M 7.80 5.07 0.00 1.73 1.28 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 2.39 2.43 0.00 33 Y 8.89 4.91 0.00 2.88 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 0.00 0.00 0.00 34 W 9.33 5.47 0.00 3.18 2.95 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 0.00 0.00 0.00 35 Y 10.00 5.90 0.00 3.43 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 36 R 8.72 4.85 0.00 2.00 1.83 0.00 3.04 0.00 0.00 3.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.00 37 Q 8.91 4.67 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 38 D 8.91 4.75 0.00 2.78 2.75 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 39 T 8.21 3.86 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 1.19 0.00 0.00 40 G 9.76 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 0.00 0.00 0.00 41 H 8.41 4.89 0.00 3.15 3.33 0.00 5.71 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 42 G 8.11 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 0.00 0.00 0.00 43 L 8.45 4.72 0.00 1.32 1.50 0.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.40 4.80 0.00 1.91 2.11 0.00 2.96 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 45 L 8.47 4.75 0.00 1.87 1.65 0.54 0.85 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 46 I 8.52 3.91 1.60 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.56 -0.03 0.00 0.00 47 H 7.97 5.37 0.00 3.17 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.79 5.19 0.00 2.52 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 49 S 7.77 4.34 0.00 3.81 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 50 Y 8.39 4.72 0.00 3.01 2.80 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 0.00 0.00 0.00 51 G 7.35 4.18 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 0.00 0.00 0.00 52 A 8.32 4.29 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 53 G 8.73 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 54 S 7.80 4.78 0.00 3.91 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 55 T 8.52 4.55 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 1.30 0.00 0.00 56 E 8.58 4.67 0.00 1.16 1.16 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 1.80 1.96 0.00 57 K 8.64 4.34 0.00 1.78 1.82 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.48 7.81 58 G 8.33 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 0.00 0.00 0.00 59 D 9.52 4.60 0.00 2.61 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 60 I 7.50 4.37 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 0.95 0.00 0.00 61 P 0.00 4.71 0.00 2.07 2.24 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 62 D 8.25 4.36 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 3.47 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 0.00 0.00 0.00 *65 Y 7.55 5.24 0.00 3.11 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 66 K 8.99 4.63 0.00 1.65 1.83 0.00 1.26 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.31 7.81 67 A 7.99 4.99 0.92 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 0.00 0.00 68 S 8.90 4.53 0.00 3.83 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 69 R 8.67 4.91 0.00 2.05 1.91 0.00 3.08 0.00 0.00 3.39 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.04 0.00 70 P 0.00 4.30 0.00 2.11 2.14 0.00 4.14 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 71 S 7.61 4.60 0.00 3.86 3.80 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 0.00 0.00 0.00 72 Q 8.81 4.02 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.12 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 73 E 8.35 4.18 0.00 2.02 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 2.39 2.49 0.00 74 Q 8.01 5.20 0.00 2.43 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 75 F 9.32 5.45 0.00 2.92 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 76 S 9.18 5.27 0.00 3.99 3.97 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 77 L 7.36 4.38 0.00 0.27 0.13 0.58 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.87 4.69 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.36 0.82 0.00 0.00 79 L 8.53 4.65 0.00 1.51 1.43 0.66 0.54 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 80 E 8.75 4.09 0.00 1.75 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 2.25 2.23 0.00 81 S 7.60 5.92 0.00 3.88 3.80 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 0.00 0.00 0.00 82 A 9.10 4.01 1.23 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 0.00 0.00 83 T 8.02 4.90 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 1.21 0.00 0.00 84 P 0.00 4.49 0.00 2.24 2.47 0.00 3.86 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 2.08 1.93 0.00 85 S 8.15 4.21 0.00 4.02 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 86 Q 7.87 4.62 0.00 2.43 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 87 T 7.91 4.44 4.27 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 1.35 0.00 0.00 88 S 8.47 4.45 0.00 2.81 3.31 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 89 V 7.90 4.58 2.15 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 0.76 0.00 0.00 0.95 0.00 0.00 90 Y 8.96 5.41 0.00 3.14 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 91 F 10.21 5.37 0.00 3.20 3.30 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 0.00 92 C 10.21 4.94 0.00 1.23 1.30 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 0.00 93 A 8.79 5.25 0.59 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 0.00 0.00 94 S 8.77 5.10 0.00 3.92 3.92 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 95 G 9.30 4.61 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 0.00 0.00 0.00 96 G 8.70 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 97 G 8.73 4.18 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 0.00 0.00 0.00 98 G 8.60 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 0.00 0.00 0.00 99 T 7.52 3.88 4.26 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 0.66 0.00 0.00 100 L 8.22 4.47 0.00 1.47 1.01 0.68 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.59 4.48 0.00 2.89 2.95 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 0.00 0.00 0.00 *108 F 8.03 4.98 0.00 2.94 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 0.00 109 G 8.72 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 0.00 0.00 0.00 0.00 110 A 8.64 4.01 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 0.00 111 G 9.42 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 0.00 0.00 0.00 112 T 7.58 5.16 4.41 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 1.34 0.00 0.00 113 R 8.72 4.29 0.00 1.91 1.87 0.00 3.15 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 114 L 9.31 5.02 0.00 1.91 1.87 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.69 4.94 0.00 3.99 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 0.00 116 V 8.28 4.69 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 0.98 0.00 0.00 0.96 0.00 0.00 117 L 8.22 4.31 0.00 1.53 1.56 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.