NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.0067 8.1933 116.7551 58.4459 65.0346 175.8372 6 E 3.6352 7.9402 118.3648 58.2153 29.6178 177.2981 7 L 3.9503 7.4781 120.2840 58.0912 42.7724 178.4121 8 E 4.2421 7.9141 117.1219 59.5856 29.5590 178.8705 9 F 4.6059 7.8878 118.6630 60.0507 38.8605 177.3558 10 K 3.7543 7.7922 119.2098 59.6423 31.8263 178.7683 11 F 4.7046 7.8648 117.2213 60.5793 38.7177 177.4429 12 A 4.1027 8.2826 120.0576 55.4147 18.2443 178.8346 13 H 4.1490 8.2699 116.6954 59.7599 29.9100 176.9874 14 Y 4.2865 7.9115 118.3288 61.1641 37.6051 178.7314 15 L 4.0788 8.4181 120.0145 58.0207 41.5953 179.5352 16 I 3.8753 8.0739 117.3980 63.7371 38.0155 177.0194 17 N 4.6623 8.1140 115.9140 54.8102 38.7284 176.0934 18 N 4.6687 7.9351 116.0104 52.7788 39.4656 175.2433 19 A 4.2799 7.0611 124.3104 51.7701 19.2271 178.0559 20 V 3.7702 8.3446 121.2438 65.4380 32.0420 176.6003 21 E 4.1657 8.0619 119.7046 55.2876 30.3235 175.6507 22 A 4.5089 8.7014 127.8204 52.5116 19.7620 176.3811 23 S 5.0491 9.6113 118.6054 56.8691 67.3935 173.3272 24 F 5.4235 8.3962 117.6984 56.4660 41.9567 172.3563 25 C 5.5346 9.5361 116.6613 58.0599 31.2808 173.4017 26 L 5.1825 8.8650 122.5477 53.1154 44.9285 177.2030 27 G 4.1743 8.7660 111.9577 44.2282 0.0000 174.0526 28 D 3.9771 8.4411 117.5961 55.2832 39.3386 176.6661 29 N 4.4434 8.2303 117.0175 52.3648 38.9208 175.5377 30 W 3.7670 7.5422 117.4242 57.2834 27.3240 173.9259 31 Q 4.2875 7.2020 117.5801 55.4537 28.7802 175.5563 32 F 4.6437 8.5528 120.1811 57.9481 39.3991 174.9231 33 L 4.6686 8.9624 125.4130 55.8689 43.6636 176.3801 34 Y 4.7279 7.7473 117.7820 56.5988 42.1751 173.7364 35 V 4.9706 7.3278 118.5059 59.6301 35.9950 174.9302 36 N 4.8811 8.9445 122.2730 51.9354 39.2480 175.9546 37 D 4.3587 9.1198 118.8921 57.4244 40.4951 179.0368 38 A 4.0428 8.0164 120.1262 55.3341 18.4498 179.4449 39 T 4.1154 8.1152 112.9808 67.0562 69.0175 175.9447 40 C 4.4276 7.7908 119.6769 62.2450 27.9264 177.3217 41 R 3.9202 7.8814 115.2008 57.1041 29.6366 177.8449 *43 T 4.4772 7.8934 109.9888 60.3474 70.5769 174.3707 44 E 3.8671 8.0985 119.8711 57.3933 27.3734 173.5444 45 Y 4.6968 7.3139 115.9186 56.2220 40.1455 175.8965 46 S 4.3445 8.7222 118.0667 57.6751 65.3726 175.5250 47 R 3.7305 8.3470 121.7277 59.7628 29.5547 178.2897 48 E 3.9160 8.0381 116.4311 59.4115 29.6559 179.0715 49 Q 4.0674 7.9346 117.5084 59.0649 28.6674 178.5135 50 L 3.5306 7.5131 118.4542 57.7707 41.7033 179.0611 51 L 4.3729 7.7716 115.5383 55.1590 41.7081 177.3744 52 S 4.6017 7.8966 114.6190 57.7766 63.6727 173.5928 *54 N 4.4174 7.9244 117.6898 53.9880 39.8448 174.3373 55 L 3.5956 8.2545 124.6656 58.0831 41.7184 179.2832 56 Q 3.6258 7.9055 117.0057 58.2223 28.2324 177.7173 57 D 4.1975 7.7498 120.2142 56.0185 40.9409 176.4979 58 I 4.0565 6.8182 118.7736 62.5836 39.3481 175.0626 59 D 4.9373 8.0650 124.0282 53.2486 39.8526 176.3457 60 V 3.6841 8.4227 127.7320 65.4505 31.8424 176.5999 61 D 4.9924 8.5581 118.3841 53.8869 41.4343 177.8533 62 F 4.3877 8.6408 124.2901 61.7380 39.1720 177.2468 63 A 4.3620 8.1844 119.6585 53.8323 18.3468 177.7217 64 L 4.2465 7.7088 114.7183 55.3792 42.1936 176.4326 65 H 4.5238 7.4379 116.0199 53.9324 30.7262 175.1520 66 D 4.4320 7.5814 122.1243 52.8706 40.3669 176.9698 67 W 3.9110 8.0353 126.4099 58.8167 29.0775 177.7416 68 E 4.0971 8.3302 117.8674 58.9833 29.2194 178.3808 69 E 4.1172 8.2911 118.4690 58.8135 29.8879 178.6633 70 I 3.2140 7.4086 119.8472 64.3443 36.9123 178.1905 71 R 3.2214 7.9484 118.4892 59.2704 29.8779 176.9698 72 Q 4.1191 7.4807 113.7192 55.9615 28.9499 176.0266 73 K 4.3634 7.3121 118.1748 55.6938 33.5364 177.0638 74 N 4.6944 8.7731 117.6394 56.1772 39.1414 174.7238 75 N 5.7532 8.0468 114.1674 52.4171 42.9650 172.4335 76 Y 5.0199 8.7505 122.4649 57.0358 42.9379 173.2479 77 T 4.9595 8.0331 122.9940 61.7022 71.6982 173.0792 78 F 4.7402 8.1656 119.1420 55.9081 41.4422 173.0006 79 K 4.4610 8.4752 118.9502 55.6147 33.4130 175.8982 80 T 4.7674 8.0698 116.1170 61.3138 71.9600 171.6658 81 R 5.0134 8.2391 118.4561 54.6997 32.5314 175.4630 82 Y 5.2028 8.3911 121.4339 56.3851 40.8040 174.7332 83 R 5.0470 8.4699 123.1966 54.4848 32.0269 175.7601 84 S 4.7860 9.3281 122.3499 57.7621 64.3645 175.2286 85 Q 3.4599 8.6456 121.1842 58.0692 28.5525 177.1066 86 S 4.2385 7.6659 110.5310 58.6861 63.3639 174.9913 87 G 3.9684 8.2527 110.4601 44.9403 0.0000 173.7788 88 R 4.2290 7.6774 119.9589 56.3189 31.3068 175.1146 89 I 5.2265 8.4366 126.2874 59.6178 39.7422 174.7264 90 F 5.0410 8.4375 120.2406 55.4701 41.8801 172.8725 91 L 4.7405 8.6817 122.1198 54.7793 43.5858 175.7824 92 V 4.8891 8.5947 118.0428 59.6698 36.6814 173.5321 93 E 5.0507 8.5056 122.0515 53.3861 33.6291 174.3611 *95 S 4.6851 8.3248 115.4042 58.4798 64.5599 173.0900 96 L 5.0207 8.9109 125.2369 53.2728 44.1711 175.6015 97 T 4.9594 8.8776 120.1753 61.8203 71.0939 173.2696 98 F 4.9868 8.7694 125.5169 56.4607 40.5363 175.2621 99 L 4.7997 8.7149 121.8860 53.0731 46.5899 175.2001 100 E 4.9849 8.4528 120.2729 54.7437 32.2671 174.3183 101 D 5.0916 8.9128 126.3174 51.7894 41.9892 176.7577 102 Q 4.4026 8.6097 117.0018 57.1357 28.4223 176.6773 103 E 4.6781 8.2766 113.0568 55.6710 31.8216 174.8946 104 R 4.4335 7.8097 116.8164 55.8882 33.5290 172.9705 105 R 5.0809 8.5345 122.9569 54.7267 32.1146 175.3244 106 F 5.0689 8.5322 118.0882 56.4537 41.9333 172.6528 107 S 4.8177 9.0996 112.0622 57.0189 66.6813 172.7788 108 C 4.7453 8.9033 120.5498 58.6329 29.8199 172.7885 109 V 4.6229 8.3079 123.6096 60.8336 34.2736 174.0273 110 F 5.1525 8.8817 125.9453 55.6397 41.4156 174.7772 111 V 4.8644 9.0032 123.8570 60.9932 34.4347 174.8560 112 R 4.7807 8.5635 122.3914 54.0691 32.8396 174.1304 113 E 4.5014 8.9794 123.1302 56.3230 30.6416 176.5227 114 K 4.2997 8.9009 125.0895 56.5492 32.2579 175.9960 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 5 S 8.19 4.01 0.00 3.64 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.94 3.64 0.00 1.93 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 0.00 2.29 2.33 0.00 7 L 7.48 3.95 0.00 1.68 1.59 0.70 0.98 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 8 E 7.91 4.24 0.00 2.37 2.29 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 2.13 2.15 0.00 9 F 7.89 4.61 0.00 3.03 2.97 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 10 K 7.79 3.75 0.00 1.66 1.53 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.11 1.22 7.81 11 F 7.86 4.70 0.00 3.40 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 12 A 8.28 4.10 1.41 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 0.00 0.00 13 H 8.27 4.15 0.00 3.24 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.91 4.29 0.00 3.42 3.01 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 15 L 8.42 4.08 0.00 1.97 1.81 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.07 3.88 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.79 1.21 0.00 0.00 17 N 8.11 4.66 0.00 2.89 3.03 0.00 0.00 7.00 8.02 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 18 N 7.94 4.67 0.00 2.91 2.91 0.00 0.00 6.94 7.40 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 19 A 7.06 4.28 1.38 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 0.00 0.00 0.00 20 V 8.34 3.77 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 0.82 0.00 0.00 0.96 0.00 0.00 21 E 8.06 4.17 0.00 2.03 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 0.00 2.45 2.46 0.00 22 A 8.70 4.51 1.46 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 0.00 0.00 0.00 23 S 9.61 5.05 0.00 3.85 3.57 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 24 F 8.40 5.42 0.00 3.50 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 25 C 9.54 5.53 0.00 3.03 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 26 L 8.86 5.18 0.00 1.76 1.63 1.27 0.53 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 27 G 8.77 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 0.00 0.00 0.00 0.00 28 D 8.44 3.98 0.00 2.60 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 29 N 8.23 4.44 0.00 2.84 2.77 0.00 0.00 6.87 7.22 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 30 W 7.54 3.77 0.00 3.51 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 31 Q 7.20 4.29 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 32 F 8.55 4.64 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 33 L 8.96 4.67 0.00 1.52 1.70 0.85 0.78 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 34 Y 7.75 4.73 0.00 3.02 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 35 V 7.33 4.97 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 0.60 0.00 0.00 0.70 0.00 0.00 36 N 8.94 4.88 0.00 3.02 3.18 0.00 0.00 6.84 7.74 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 37 D 9.12 4.36 0.00 2.75 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 38 A 8.02 4.04 1.43 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 39 T 8.12 4.12 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 1.17 0.00 0.00 40 C 7.79 4.43 0.00 3.16 3.07 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 41 R 7.88 3.92 0.00 1.92 1.95 0.00 3.19 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 *43 T 7.89 4.48 4.51 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 1.39 0.00 0.00 44 E 8.10 3.87 0.00 2.03 1.93 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 2.20 2.24 0.00 45 Y 7.31 4.70 0.00 2.83 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 46 S 8.72 4.34 0.00 4.04 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 47 R 8.35 3.73 0.00 1.79 1.89 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 48 E 8.04 3.92 0.00 1.93 1.97 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 2.29 2.43 0.00 49 Q 7.93 4.07 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 50 L 7.51 3.53 0.00 1.40 0.93 0.62 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.77 4.37 0.00 1.56 1.68 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.90 4.60 0.00 3.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 N 7.92 4.42 0.00 2.65 2.66 0.00 0.00 6.69 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 55 L 8.25 3.60 0.00 1.51 1.38 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.91 3.63 0.00 1.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 57 D 7.75 4.20 0.00 2.68 2.59 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 58 I 6.82 4.06 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.98 0.24 0.00 0.00 59 D 8.06 4.94 0.00 2.76 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.42 3.68 2.25 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 0.86 0.00 0.00 0.95 0.00 0.00 61 D 8.56 4.99 0.00 2.92 2.66 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 0.00 0.00 0.00 0.00 62 F 8.64 4.39 0.00 3.34 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 63 A 8.18 4.36 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 64 L 7.71 4.25 0.00 1.55 1.62 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.44 4.52 0.00 1.99 2.04 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.58 4.43 0.00 2.52 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 0.00 0.00 0.00 0.00 67 W 8.04 3.91 0.00 3.34 3.09 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 0.00 0.00 0.00 0.00 68 E 8.33 4.10 0.00 2.15 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 0.00 2.41 2.39 0.00 69 E 8.29 4.12 0.00 1.89 1.79 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 2.48 2.39 0.00 70 I 7.41 3.21 1.59 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.02 1.09 0.00 0.00 71 R 7.95 3.22 0.00 2.21 2.23 0.00 3.23 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 72 Q 7.48 4.12 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 73 K 7.31 4.36 0.00 1.95 1.96 0.00 1.25 0.00 0.00 1.66 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 74 N 8.77 4.69 0.00 2.72 2.92 0.00 0.00 6.19 6.92 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 75 N 8.05 5.75 0.00 2.76 2.72 0.00 0.00 6.68 7.54 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 76 Y 8.75 5.02 0.00 3.19 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 77 T 8.03 4.96 4.14 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 1.13 0.00 0.00 78 F 8.17 4.74 0.00 2.91 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 79 K 8.48 4.46 0.00 1.75 1.71 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.34 7.81 80 T 8.07 4.77 4.39 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 1.23 0.00 0.00 81 R 8.24 5.01 0.00 1.81 1.80 0.00 3.18 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 82 Y 8.39 5.20 0.00 1.88 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 83 R 8.47 5.05 0.00 1.78 1.92 0.00 3.29 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 84 S 9.33 4.79 0.00 4.10 4.37 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 85 Q 8.65 3.46 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.09 1.87 0.00 86 S 7.67 4.24 0.00 3.96 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 87 G 8.25 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 0.00 0.00 0.00 88 R 7.68 4.23 0.00 2.03 1.95 0.00 3.08 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 89 I 8.44 5.23 1.93 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 1.43 1.02 0.97 0.00 0.00 90 F 8.44 5.04 0.00 3.07 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 91 L 8.68 4.74 0.00 1.83 1.61 0.99 0.84 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 92 V 8.59 4.89 1.78 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 0.56 0.00 0.00 0.13 0.00 0.00 93 E 8.51 5.05 0.00 1.91 1.71 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 2.08 1.96 0.00 *95 S 8.32 4.69 0.00 3.94 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 96 L 8.91 5.02 0.00 1.64 1.06 1.38 0.93 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 97 T 8.88 4.96 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 98 F 8.77 4.99 0.00 3.11 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 99 L 8.71 4.80 0.00 0.33 0.97 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.45 4.98 0.00 1.84 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 2.21 2.51 0.00 101 D 8.91 5.09 0.00 3.01 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 0.00 102 Q 8.61 4.40 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 103 E 8.28 4.68 0.00 2.03 1.97 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 2.29 2.21 0.00 104 R 7.81 4.43 0.00 1.79 1.89 0.00 2.65 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 105 R 8.53 5.08 0.00 1.71 1.82 0.00 3.29 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 106 F 8.53 5.07 0.00 3.28 3.07 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 0.00 107 S 9.10 4.82 0.00 3.44 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 0.00 108 C 8.90 4.75 0.00 2.82 2.68 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 0.00 109 V 8.31 4.62 0.67 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 0.78 0.00 0.00 0.84 0.00 0.00 110 F 8.88 5.15 0.00 2.88 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 0.00 111 V 9.00 4.86 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 0.73 0.00 0.00 1.11 0.00 0.00 112 R 8.56 4.78 0.00 1.91 1.98 0.00 2.81 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 113 E 8.98 4.50 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 114 K 8.90 4.30 0.00 1.58 1.65 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.