NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.3240 8.0549 120.6442 62.8848 32.8165 174.4260 3 Q 4.5745 8.8243 126.6078 53.5507 32.7879 172.8102 4 L 5.1777 8.6877 122.4076 52.9084 45.4703 175.0616 5 V 4.6153 8.6440 123.5658 61.3358 34.0058 175.0503 6 Q 5.7809 9.3844 127.3880 53.8887 30.5324 175.6650 7 S 4.4445 8.6087 115.5879 58.0513 64.2567 173.9254 8 G 4.0021 8.5183 108.0328 45.2661 0.0000 173.0436 9 A 4.4816 8.5692 121.5124 52.6336 19.1775 176.7912 10 E 4.6258 9.1792 119.8347 54.3886 33.4753 174.3720 11 V 4.8094 8.5302 125.8782 61.1796 33.8603 174.5338 12 K 4.8105 9.0518 126.6214 54.6213 36.4162 175.8690 13 R 4.6377 8.4134 120.8950 54.6855 31.3823 174.7831 14 P 4.2181 0.0000 0.0000 63.2798 32.0057 176.2395 15 G 3.7921 9.0197 110.3504 46.1544 0.0000 171.7950 16 S 4.6051 7.2175 111.9105 57.4394 66.8540 174.0616 17 S 5.4091 8.5720 114.1524 57.1228 66.5016 174.2103 18 V 4.5038 8.4123 120.7460 60.3666 35.0660 174.3085 19 T 4.9390 8.3632 118.5417 61.9346 71.3436 173.2285 20 V 4.4735 8.2861 127.0666 61.1593 33.9690 174.6145 21 S 5.2635 8.7129 121.0351 56.8120 66.4275 173.6276 22 C 5.1994 9.1711 121.6870 54.9245 47.4831 172.1863 23 K 4.7891 8.9401 128.7140 55.1733 33.2798 175.0146 24 A 5.3858 8.8651 129.9908 50.4360 21.2080 175.9913 25 S 4.5245 8.4751 114.5679 57.6487 66.9556 172.8825 26 G 4.1629 9.1687 110.7227 46.4517 0.0000 175.4383 27 G 3.7882 8.5563 112.0750 45.1945 0.0000 173.1434 28 S 4.9361 8.4568 114.1986 56.3530 64.6975 169.6400 29 F 4.6115 8.8471 125.8121 59.7587 40.0474 177.2121 30 S 4.2596 8.2544 116.6722 60.7826 62.9317 175.3078 31 T 4.2587 7.7490 107.2245 61.1645 68.7753 173.5943 32 Y 4.7751 7.3119 119.6083 56.0559 41.3527 174.3037 33 A 4.5053 9.5579 126.2247 51.6495 20.0633 176.0363 34 L 4.8264 8.5963 124.4948 53.3292 44.7172 175.6671 35 S 5.2037 8.9240 122.5512 56.4952 66.7523 172.8532 36 W 5.0879 8.9048 121.1311 54.9548 31.9331 175.1745 37 V 5.0737 9.5862 124.3077 61.0908 34.6694 174.4224 38 R 4.9813 8.9490 122.8996 54.5381 33.3674 174.7662 39 Q 4.4864 8.7076 120.5946 54.5783 31.8136 174.0751 40 A 4.5014 8.6054 129.9258 50.9429 19.2617 174.6759 41 P 4.3619 0.0000 0.0000 64.3043 31.5838 176.5998 42 G 3.9554 8.9715 110.7703 46.4555 0.0000 172.5577 43 R 4.6748 7.9600 117.9569 53.8024 33.8560 175.0599 44 G 4.0187 8.3277 107.8576 44.6371 0.0000 173.3391 45 L 4.5249 8.1878 119.3518 54.7822 42.7103 177.0020 46 E 4.7270 9.1088 123.2577 54.3628 32.8682 174.0331 47 W 4.6540 9.3315 135.0000 58.1276 31.0674 175.1445 48 M 3.9776 9.1267 126.8802 54.9022 33.8157 176.4098 49 G 3.0823 5.8778 103.4020 46.5653 0.0000 170.7237 50 G 4.7189 8.0883 106.7163 45.3677 0.0000 172.4006 51 V 4.9490 8.7460 118.5198 60.0359 35.0413 175.0239 52 I 4.1986 8.4304 125.4129 59.3689 37.3706 174.5688 53 P 4.1787 0.0000 0.0000 65.4709 31.5189 178.6414 54 L 3.9071 7.9951 118.8932 57.7346 41.8064 177.6447 55 L 4.5290 7.6054 114.2719 53.8153 42.3140 176.1582 56 T 3.4460 7.4728 114.5627 64.6426 66.8269 172.5381 57 I 4.4676 7.5721 121.5055 60.1026 39.0397 175.9691 58 T 4.9126 8.3974 117.3462 60.0128 71.4915 173.8609 59 N 4.7896 8.4408 120.9829 52.5446 41.9290 172.5666 60 Y 5.1552 8.5113 123.4340 55.9830 40.8993 175.5257 61 A 4.4993 8.9266 125.3756 51.4130 19.0721 176.9165 62 P 4.3259 0.0000 0.0000 65.9549 31.7175 178.7740 63 R 3.6607 8.1101 115.5750 58.3022 29.7271 177.1225 64 F 4.8143 8.4463 114.7159 57.0248 40.8368 175.5845 65 Q 3.7601 7.3578 119.8232 57.5886 29.0700 175.8108 66 G 4.3171 8.8146 116.9900 46.1160 0.0000 174.8419 67 R 4.2356 7.5464 116.8430 55.8753 30.5472 175.8360 68 I 4.9845 7.0885 117.7206 59.4186 41.3421 174.5438 69 T 4.6527 8.4847 123.9002 62.0657 72.6537 172.6608 70 I 5.1587 8.8689 127.5786 59.7684 39.5010 175.2518 71 T 4.9980 9.0317 115.7726 59.9288 72.6556 172.5285 72 A 5.3488 8.7417 123.1571 50.3253 22.3712 175.0098 73 D 4.9051 9.1400 121.6584 52.5656 42.5257 177.3363 74 R 4.1529 8.9294 126.3195 58.7525 30.4570 178.4259 75 S 4.3031 8.4880 112.4014 60.0452 63.3069 174.8893 76 T 4.3442 7.6518 108.0248 60.3002 69.6628 173.5855 77 S 2.0000 7.2682 117.7752 59.6968 61.1239 171.5757 78 T 4.9382 7.1357 114.5840 61.6731 71.6295 173.7714 79 A 5.2319 8.8676 128.0201 50.8326 22.0591 175.2551 80 Y 5.3964 9.4543 116.6315 56.1587 42.7747 174.3991 81 L 4.4270 8.5709 124.8277 53.1524 44.9270 174.7763 82 E 4.8206 8.9302 127.0908 54.8863 31.4833 174.9798 83 L 4.8499 8.3171 125.4857 53.2640 43.4895 175.8731 84 N 4.9850 8.8357 121.3530 50.7956 41.5653 174.5741 85 S 3.6341 8.3949 113.8208 59.1876 60.7169 172.9558 86 L 4.3370 7.7419 119.7043 55.4268 42.7026 177.4922 87 R 4.9576 9.4104 119.2001 53.6331 34.3561 174.6774 88 P 4.5733 0.0000 0.0000 65.1222 31.5135 178.7265 89 E 4.0502 8.2440 116.3446 59.4726 29.4070 177.6995 90 D 4.6800 8.5379 116.8961 55.7888 41.1171 176.6272 91 T 4.8451 8.1845 117.1635 63.4623 68.8993 173.5963 92 A 4.2787 8.2286 126.7433 51.6641 22.5570 174.5912 93 V 4.3090 7.7842 119.4971 62.4692 33.1349 174.2920 94 Y 4.9605 9.1856 125.8392 56.5076 40.3835 174.1065 95 Y 5.5896 9.7241 123.4560 56.3659 40.9763 172.8007 96 C 4.2044 8.9434 118.5537 54.4424 42.2121 172.4920 97 A 4.4693 8.1841 122.1439 50.0944 22.3753 174.8981 98 R 4.9148 8.2676 122.5456 53.8467 33.0161 175.1607 99 E 4.5934 8.6532 123.6255 56.7217 30.8216 177.0380 100 G 4.1805 8.5619 109.5171 45.8524 0.0000 172.0870 101 T 5.3826 8.1899 108.6307 59.8755 72.4532 173.6023 102 T 4.5361 8.4731 110.7299 61.6741 69.1205 174.8404 *107 L 4.7056 7.4139 118.3662 55.6362 43.0426 177.5608 108 G 3.9078 8.0542 107.7365 44.6199 0.0000 173.3790 109 K 4.4066 8.3718 120.8495 55.2191 32.9490 174.7712 110 P 5.2663 0.0000 0.0000 63.0397 32.0360 176.0559 111 I 4.1777 8.4014 113.3645 60.4296 38.3874 176.1158 112 G 4.1526 8.5878 116.0312 45.9255 0.0000 174.3639 113 A 3.5352 7.4334 123.4389 51.7693 18.8026 176.7406 114 F 4.7843 8.0032 120.2733 57.0792 38.1010 175.2324 115 A 4.3802 8.7325 126.5224 53.4835 19.6638 176.8323 116 H 5.1157 8.0954 112.2801 53.8828 31.8494 173.5554 117 W 5.1799 8.8183 121.4649 54.6318 32.6522 175.4272 118 G 4.2004 8.9560 111.0798 45.5581 0.0000 174.7502 119 Q 4.2067 8.7848 118.0368 57.5247 28.9717 176.8220 120 G 4.0256 7.6698 101.7947 44.6328 0.0000 172.9906 121 T 4.6567 8.5173 115.6819 61.4878 72.7819 172.8018 122 L 4.8575 8.5972 128.3942 54.0180 44.1038 174.9853 123 V 4.7306 8.8928 126.7598 61.6732 33.7444 174.2643 124 T 4.7164 8.7761 126.0185 62.0747 70.0456 174.0593 125 V 4.6932 8.9331 128.3055 61.5380 32.9234 174.5394 126 S 4.8065 8.6062 122.3761 57.0934 65.2145 174.3759 127 S 4.2772 8.9520 121.6426 59.7444 63.2911 173.9189 128 L 4.0373 8.2551 123.8477 54.9988 41.3740 177.3322 129 E 4.1427 8.8108 127.1416 59.2798 29.8037 179.0333 130 H 4.2206 8.2570 117.8552 59.3800 30.1146 175.9931 131 H 4.4440 8.1342 116.3284 58.1817 28.7885 175.0110 132 H 4.5033 7.7056 117.3577 55.6853 28.5151 172.8699 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 V 8.05 4.32 1.68 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 0.78 0.00 0.00 0.74 0.00 0.00 3 Q 8.82 4.57 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 4 L 8.69 5.18 0.00 1.54 1.46 0.75 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.64 4.62 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 1.00 0.00 0.00 0.94 0.00 0.00 6 Q 9.38 5.78 0.00 2.06 2.15 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 2.40 2.32 0.00 7 S 8.61 4.44 0.00 3.92 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 8 G 8.52 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 0.00 0.00 0.00 9 A 8.57 4.48 1.25 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 0.00 0.00 10 E 9.18 4.63 0.00 2.02 1.70 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 2.14 2.25 0.00 11 V 8.53 4.81 2.10 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 0.85 0.00 0.00 0.90 0.00 0.00 12 K 9.05 4.81 0.00 1.65 1.61 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.48 7.81 13 R 8.41 4.64 0.00 1.64 1.82 0.00 3.14 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.00 14 P 0.00 4.22 0.00 1.94 2.01 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 15 G 9.02 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 16 S 7.22 4.61 0.00 3.81 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 17 S 8.57 5.41 0.00 3.66 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 18 V 8.41 4.50 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 0.58 0.00 0.00 0.79 0.00 0.00 19 T 8.36 4.94 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 1.20 0.00 0.00 20 V 8.29 4.47 1.63 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 1.25 0.00 0.00 0.68 0.00 0.00 21 S 8.71 5.26 0.00 3.79 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 22 C 9.17 5.20 0.00 2.78 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 23 K 8.94 4.79 0.00 1.80 1.62 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.48 7.81 24 A 8.87 5.39 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 25 S 8.48 4.52 0.00 3.87 3.88 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 26 G 9.17 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 0.00 0.00 0.00 0.00 27 G 8.56 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 28 S 8.46 4.94 0.00 3.62 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 29 F 8.85 4.61 0.00 2.94 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 30 S 8.25 4.26 0.00 3.97 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 31 T 7.75 4.26 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 1.09 0.00 0.00 32 Y 7.31 4.78 0.00 2.99 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 33 A 9.56 4.51 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 0.00 0.00 34 L 8.60 4.83 0.00 1.46 1.30 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.92 5.20 0.00 2.93 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 5.09 0.00 3.04 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 37 V 9.59 5.07 2.47 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 1.41 0.00 0.00 1.04 0.00 0.00 38 R 8.95 4.98 0.00 0.87 1.63 0.00 2.40 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.00 39 Q 8.71 4.49 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.63 0.00 40 A 8.61 4.50 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 41 P 0.00 4.36 0.00 2.06 2.06 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 42 G 8.97 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 43 R 7.96 4.67 0.00 1.92 1.87 0.00 3.18 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 44 G 8.33 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 0.00 0.00 0.00 0.00 45 L 8.19 4.52 0.00 1.69 1.83 0.88 0.81 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 46 E 9.11 4.73 0.00 2.17 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 2.56 2.50 0.00 47 W 9.33 4.65 0.00 3.51 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 48 M 9.13 3.98 0.00 1.35 1.86 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.51 0.00 49 G 5.88 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 0.00 0.00 0.00 50 G 8.09 4.72 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 0.00 0.00 0.00 51 V 8.75 4.95 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 0.79 0.00 0.00 0.94 0.00 0.00 52 I 8.43 4.20 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.43 0.85 0.00 0.00 53 P 0.00 4.18 0.00 2.16 2.12 0.00 3.60 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 1.54 1.69 0.00 54 L 8.00 3.91 0.00 1.65 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.61 4.53 0.00 1.59 1.64 0.90 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.47 3.45 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 1.25 0.00 0.00 57 I 7.57 4.47 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.99 0.90 0.00 0.00 58 T 8.40 4.91 3.67 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 0.00 0.00 0.00 1.24 0.00 0.00 59 N 8.44 4.79 0.00 2.89 2.83 0.00 0.00 7.31 7.63 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 60 Y 8.51 5.16 0.00 2.94 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 61 A 8.93 4.50 1.62 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 62 P 0.00 4.33 0.00 2.25 2.22 0.00 3.83 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 63 R 8.11 3.66 0.00 1.37 1.26 0.00 3.15 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 64 F 8.45 4.81 0.00 3.17 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 65 Q 7.36 3.76 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 66 G 8.81 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 67 R 7.55 4.24 0.00 1.93 1.95 0.00 3.07 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 68 I 7.09 4.98 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.68 0.46 0.00 0.00 69 T 8.48 4.65 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 1.25 0.00 0.00 70 I 8.87 5.16 2.00 0.00 0.00 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 1.25 0.76 1.19 0.00 0.00 71 T 9.03 5.00 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 1.28 0.00 0.00 72 A 8.74 5.35 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 73 D 9.14 4.91 0.00 2.92 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 74 R 8.93 4.15 0.00 1.92 2.09 0.00 3.33 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 75 S 8.49 4.30 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 76 T 7.65 4.34 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 77 S 7.27 2.00 0.00 3.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.14 4.94 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 0.66 0.00 0.00 79 A 8.87 5.23 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 80 Y 9.45 5.40 0.00 2.94 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 81 L 8.57 4.43 0.00 0.27 0.13 0.44 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.93 4.82 0.00 1.99 1.74 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 2.14 2.16 0.00 83 L 8.32 4.85 0.00 1.32 1.43 0.88 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.84 4.99 0.00 2.51 2.66 0.00 0.00 7.30 8.35 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 85 S 8.39 3.63 0.00 3.92 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 86 L 7.74 4.34 0.00 1.70 1.60 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.41 4.96 0.00 1.78 1.85 0.00 3.15 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 88 P 0.00 4.57 0.00 2.19 2.14 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 89 E 8.24 4.05 0.00 1.97 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 0.00 2.33 2.42 0.00 90 D 8.54 4.68 0.00 2.81 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 91 T 8.18 4.85 4.34 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 1.23 0.00 0.00 92 A 8.23 4.28 1.01 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 93 V 7.78 4.31 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 0.20 0.00 0.00 0.86 0.00 0.00 94 Y 9.19 4.96 0.00 2.94 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 95 Y 9.72 5.59 0.00 3.29 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 96 C 8.94 4.20 0.00 1.89 1.18 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 97 A 8.18 4.47 -0.54 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 98 R 8.27 4.91 0.00 1.69 1.65 0.00 3.02 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.37 0.00 99 E 8.65 4.59 0.00 2.25 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 2.43 2.40 0.00 100 G 8.56 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 0.00 101 T 8.19 5.38 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 0.87 0.00 0.00 102 T 8.47 4.54 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 *107 L 7.41 4.71 0.00 2.00 1.85 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.05 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 0.00 109 K 8.37 4.41 0.00 1.89 1.72 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.40 7.81 110 P 0.00 5.27 0.00 2.37 2.34 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 111 I 8.40 4.18 1.85 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 1.29 0.88 0.92 0.00 0.00 112 G 8.59 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 0.00 113 A 7.43 3.54 1.17 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 0.00 114 F 8.00 4.78 0.00 2.94 2.28 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 0.00 115 A 8.73 4.38 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 0.00 0.00 0.00 0.00 0.00 116 H 8.10 5.12 0.00 3.00 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.82 5.18 0.00 3.02 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 0.00 118 G 8.96 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 0.00 0.00 0.00 0.00 119 Q 8.78 4.21 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 120 G 7.67 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.52 4.66 4.34 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 1.33 0.00 0.00 122 L 8.60 4.86 0.00 1.77 1.54 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.89 4.73 2.24 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 0.88 0.00 0.00 0.78 0.00 0.00 124 T 8.78 4.72 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 1.07 0.00 0.00 125 V 8.93 4.69 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 0.97 0.00 0.00 0.95 0.00 0.00 126 S 8.61 4.81 0.00 3.92 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 0.00 127 S 8.95 4.28 0.00 3.93 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 0.00 128 L 8.26 4.04 0.00 1.72 1.60 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.81 4.14 0.00 2.07 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 2.43 2.26 0.00 130 H 8.26 4.22 0.00 3.06 3.25 0.00 5.73 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.13 4.44 0.00 3.20 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 7.71 4.50 0.00 3.21 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.