NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.5705 8.3716 117.8899 53.3742 40.5504 172.7859 3 L 4.1948 8.4622 123.2089 52.2849 41.5857 174.9026 4 P 4.4843 0.0000 0.0000 62.6259 32.8750 176.5744 5 T 4.0789 8.6651 112.0531 61.2708 70.6804 175.2394 6 A 3.9219 8.5592 122.9579 55.7186 18.2079 179.9541 7 Q 3.9128 7.9964 115.7068 59.2288 28.7473 178.8414 8 E 3.9042 8.0394 119.5884 59.1188 29.3493 179.5001 9 V 3.0558 8.1143 118.7555 65.8177 31.5667 177.9119 10 Q 4.0598 8.1649 117.9467 59.1069 28.5767 179.4117 11 G 3.5659 7.9573 106.4533 47.7168 0.0000 175.7738 12 L 3.9558 8.0230 121.8177 57.9027 41.7665 179.6173 13 M 4.1517 8.3807 118.5953 58.1077 31.8669 178.7065 14 A 4.0464 8.1933 121.2809 54.9657 18.4044 179.6676 15 R 3.8249 8.1647 117.5230 59.5457 30.0856 177.9259 16 Y 4.0146 8.2933 119.6518 61.0140 38.6728 178.4264 17 I 3.4694 7.7484 120.0960 64.2736 37.1304 178.2756 18 E 3.9148 8.1879 119.5121 59.3794 29.2522 179.4549 19 L 3.9209 8.0138 119.3650 57.5135 41.4220 179.5984 20 V 3.3738 7.4331 117.8001 65.9746 31.4907 177.2023 21 D 4.4150 8.0483 116.9037 57.3037 41.1200 178.1310 22 V 3.9557 7.7257 111.3891 61.4992 31.8736 176.7423 23 G 3.7212 8.0158 106.2555 46.5996 0.0000 174.5227 24 D 4.5596 7.7707 120.5005 52.4676 40.1389 175.4679 25 I 3.6439 7.9470 126.6534 64.1485 37.4271 177.5875 26 E 3.9993 8.2098 118.6298 59.1736 29.1174 179.1241 27 A 4.0088 8.1074 120.2945 55.0068 18.7335 179.3849 28 I 3.7260 7.9732 118.7451 64.6245 37.1764 178.8436 29 V 3.8108 8.1546 119.3891 66.0749 31.0966 177.7917 30 Q 4.1050 8.0176 118.4910 59.1861 29.1515 177.7778 31 M 4.2142 8.1527 119.2497 56.5766 32.0534 175.6760 32 Y 4.6560 7.3256 116.5939 56.2600 39.6161 175.4256 33 A 4.2934 8.7367 126.6413 52.0238 19.3192 178.7294 34 D 4.4955 8.8225 119.5062 55.5755 39.6133 177.5045 35 D 4.5714 7.8278 117.6663 52.5075 39.9968 175.7948 36 A 4.5223 7.8350 121.7039 53.2796 19.9059 177.3275 37 T 5.0271 8.6730 109.1195 59.8234 72.0499 173.2205 38 V 4.8237 8.4910 123.2798 61.1326 34.9979 173.9295 39 E 4.6742 9.2903 127.3545 54.8177 31.9645 175.2400 40 N 5.1057 8.3122 124.9657 51.8832 40.9963 172.0989 41 P 4.5175 0.0000 0.0000 61.8246 33.0321 175.4723 42 F 3.9962 8.9501 125.4540 59.6569 39.0353 174.6167 43 G 3.6638 7.7474 113.7231 45.5041 0.0000 173.8540 44 Q 4.4419 7.1151 118.1716 52.8651 30.5422 173.7754 45 P 4.1893 0.0000 0.0000 62.7290 31.6523 174.4244 46 P 4.7005 0.0000 0.0000 62.4992 32.3703 175.5979 47 I 4.5147 8.4002 116.1134 59.8071 40.2765 173.9489 48 H 5.0378 9.1848 123.3273 55.6526 32.5546 174.1452 49 G 4.0798 9.0494 110.7274 45.9920 0.0000 174.5639 50 R 3.8517 8.4035 119.6336 58.8953 29.9828 179.2959 51 E 3.9215 8.1160 118.6667 59.5668 29.6971 178.8564 52 Q 4.0614 8.0029 117.5187 58.8326 28.8175 178.6157 53 I 3.6298 8.0500 121.0359 64.2092 37.0483 178.1849 54 A 4.1442 8.6286 121.8141 55.2190 18.2292 179.5076 55 A 3.9705 8.1811 119.2001 55.1734 18.3686 179.4938 56 F 4.0589 8.4750 119.2911 61.9478 39.4431 177.1024 57 Y 3.8043 8.2839 116.1956 60.7848 37.4008 178.2467 58 R 3.8937 8.2866 119.5334 59.3971 30.2277 178.4636 59 Q 4.1598 7.9286 117.0193 59.0154 28.8911 178.5789 60 G 3.4744 7.8249 105.5267 45.6091 0.0000 173.7471 61 L 4.5499 7.7879 120.4737 52.2611 44.2782 175.8800 *65 K 4.0190 8.4849 123.3509 56.1853 32.9564 174.7148 66 V 4.7546 8.2382 124.9673 61.1784 34.7842 174.5185 67 R 5.0348 9.0093 124.5121 54.4973 33.9204 174.5005 68 A 5.4063 9.3847 123.2809 50.6790 22.4734 175.4615 69 C 4.8759 9.2120 115.8184 56.1042 33.5290 173.6152 70 L 4.6324 8.8115 121.7643 55.3367 41.7955 177.0456 71 T 4.4729 8.4063 112.3292 60.6093 69.0258 173.6300 72 G 3.9771 7.3443 109.7994 44.7864 0.0000 171.5271 73 P 4.4292 0.0000 0.0000 62.1269 31.8829 176.3708 74 V 3.8722 8.2113 120.2546 63.3302 32.4088 175.2789 75 R 4.6016 9.3234 127.1411 54.7920 31.5016 175.1305 76 A 5.2289 8.6114 125.7870 50.1989 22.0289 175.5115 77 S 4.5723 8.7016 115.6321 57.0364 65.8574 173.8975 78 H 4.9266 8.5949 115.4441 55.7876 28.4693 174.8891 79 N 4.9897 7.9422 116.3559 52.7435 37.6992 174.7749 80 G 3.9405 8.5801 104.4814 47.5079 0.0000 173.2433 81 C 5.5083 7.7867 115.5713 58.0112 32.6271 172.9350 82 G 4.5547 8.9567 106.5180 45.7486 0.0000 171.6927 83 A 5.5488 9.2073 121.1520 50.5874 23.0072 175.2349 84 M 5.2049 9.2640 117.2405 53.3473 35.3772 171.8078 85 P 5.5971 0.0000 0.0000 61.5392 34.1633 173.9540 86 F 5.5342 8.8283 116.7687 56.0257 42.2433 172.5764 87 R 4.9388 9.2476 119.1188 54.4665 33.2922 173.9026 88 V 4.9393 8.7229 126.0107 61.2159 34.1045 173.8766 89 E 5.2297 9.3825 127.6955 54.9512 32.4573 175.1686 90 M 5.2467 8.9191 120.5931 54.1846 35.5246 173.2029 91 V 4.8394 8.3818 117.5681 60.9998 34.4001 174.9513 92 W 4.8315 9.2294 135.0000 56.3091 32.3731 174.7919 93 N 3.9117 9.7626 125.8779 54.4894 34.9818 175.6726 94 G 3.8408 8.1768 102.9790 45.8277 0.0000 172.7884 95 Q 4.6716 7.6296 120.1444 53.0284 30.6533 173.4445 96 P 4.9587 0.0000 0.0000 63.1882 32.0702 175.3485 97 C 5.1801 9.6152 117.3823 56.7405 34.0422 172.3596 98 A 5.1645 9.2139 120.1464 50.1105 22.6188 174.8180 99 L 5.0531 9.0290 121.9261 53.3210 45.4822 174.8920 100 D 5.0946 8.7156 126.2908 53.1758 42.0729 176.1567 101 V 4.6789 8.4689 122.6417 61.0684 35.8835 173.8705 102 I 5.1016 8.6108 125.8269 59.7782 40.1235 174.2278 103 D 5.5889 9.2847 127.0807 52.7462 43.6129 175.4781 104 V 4.5547 8.9622 122.7244 61.4839 34.0062 174.2604 105 M 5.1333 9.2335 127.1485 53.3922 36.2045 174.2911 106 R 4.8718 8.6467 122.8506 54.7205 32.3785 174.9357 107 F 5.0495 9.2924 125.9494 56.3534 41.1191 175.4506 108 D 4.8365 8.9292 121.9777 51.5471 41.5807 176.9211 109 E 4.0252 8.5732 115.6778 58.7276 29.4171 177.5442 110 H 4.7160 8.9495 116.3044 55.3931 29.1501 175.1454 111 G 3.9223 8.4718 107.5793 46.1001 0.0000 173.8265 112 R 4.8273 7.9906 117.5302 53.8736 32.6416 175.3835 113 I 3.6212 8.4297 122.4660 61.4678 37.4782 176.6209 114 Q 4.1932 9.2316 129.7066 58.2346 30.4671 175.4357 115 T 5.2225 7.5199 111.8577 60.5174 71.5525 172.1829 116 M 5.1514 9.0884 126.9524 53.8543 35.6613 173.7889 117 Q 5.1391 9.3349 124.9572 54.0532 32.0583 174.1714 118 A 5.3876 8.9563 126.5219 49.8778 21.4400 174.8318 119 Y 4.9380 9.2684 121.8994 56.6454 39.6258 175.2539 120 W 4.8410 8.1053 120.0927 56.8294 30.6138 173.5515 121 S 4.3997 8.7535 114.4657 57.1066 65.7125 174.4122 122 E 4.3991 8.8600 118.1886 59.6710 29.2429 179.7432 123 V 3.7420 7.3588 110.6539 63.8287 31.8165 176.3598 124 N 4.9138 8.7398 116.4870 52.8492 39.6973 174.0604 125 L 4.9839 7.9622 121.8954 53.9620 43.8210 175.9382 126 S 4.8594 9.3199 121.8102 56.6372 66.1204 174.8131 127 V 4.0409 8.4163 123.4859 61.7633 31.3564 175.3773 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 N 8.37 5.57 0.00 2.63 2.88 0.00 0.00 6.90 6.97 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 3 L 8.46 4.19 0.00 1.67 1.61 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.48 0.00 2.03 1.80 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.47 0.00 5 T 8.67 4.08 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 6 A 8.56 3.92 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 7 Q 8.00 3.91 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 8.04 3.90 0.00 2.16 1.85 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 2.26 2.25 0.00 9 V 8.11 3.06 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 1.17 0.00 0.00 0.75 0.00 0.00 10 Q 8.16 4.06 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 11 G 7.96 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 0.00 0.00 0.00 12 L 8.02 3.96 0.00 1.22 1.62 0.30 0.96 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 13 M 8.38 4.15 0.00 2.09 2.14 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 2.92 2.78 0.00 14 A 8.19 4.05 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 15 R 8.16 3.82 0.00 1.95 2.13 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 16 Y 8.29 4.01 0.00 3.04 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 17 I 7.75 3.47 1.97 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.73 0.88 0.00 0.00 18 E 8.19 3.91 0.00 2.12 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 2.46 2.47 0.00 19 L 8.01 3.92 0.00 1.56 1.56 0.88 0.99 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 20 V 7.43 3.37 1.90 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 0.77 0.00 0.00 0.22 0.00 0.00 21 D 8.05 4.42 0.00 2.85 2.81 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 22 V 7.73 3.96 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 0.76 0.00 0.00 0.99 0.00 0.00 23 G 8.02 3.72 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 24 D 7.77 4.56 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.64 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 0.96 0.00 0.00 26 E 8.21 4.00 0.00 2.01 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 2.41 2.38 0.00 27 A 8.11 4.01 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 28 I 7.97 3.73 1.71 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.48 0.28 0.00 0.00 29 V 8.15 3.81 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 1.11 0.00 0.00 1.06 0.00 0.00 30 Q 8.02 4.10 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.15 4.21 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.60 0.00 32 Y 7.33 4.66 0.00 3.22 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 33 A 8.74 4.29 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 34 D 8.82 4.50 0.00 2.86 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 35 D 7.83 4.57 0.00 2.85 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 36 A 7.83 4.52 1.58 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 0.00 0.00 37 T 8.67 5.03 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 1.26 0.00 0.00 38 V 8.49 4.82 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 0.74 0.00 0.00 0.75 0.00 0.00 39 E 9.29 4.67 0.00 1.93 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 2.08 2.15 0.00 40 N 8.31 5.11 0.00 2.70 2.48 0.00 0.00 7.27 7.69 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 41 P 0.00 4.52 0.00 1.29 0.49 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.01 0.00 42 F 8.95 4.00 0.00 2.27 2.40 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 43 G 7.75 3.66 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 0.00 0.00 0.00 44 Q 7.12 4.44 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 45 P 0.00 4.19 0.00 2.09 1.99 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 46 P 0.00 4.70 0.00 1.91 1.95 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 47 I 8.40 4.51 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.65 0.77 0.00 0.00 48 H 9.18 5.04 0.00 3.07 3.16 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.05 4.08 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 R 8.40 3.85 0.00 1.90 2.02 0.00 3.17 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 51 E 8.12 3.92 0.00 2.04 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 2.39 2.42 0.00 52 Q 8.00 4.06 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 53 I 8.05 3.63 1.73 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.78 0.64 0.00 0.00 54 A 8.63 4.14 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 3.97 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 56 F 8.48 4.06 0.00 3.05 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 57 Y 8.28 3.80 0.00 3.16 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 58 R 8.29 3.89 0.00 1.97 2.12 0.00 3.28 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 59 Q 7.93 4.16 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 60 G 7.82 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 61 L 7.79 4.55 0.00 1.66 1.55 0.97 1.08 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 *65 K 8.48 4.02 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 66 V 8.24 4.75 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 0.87 0.00 0.00 0.91 0.00 0.00 67 R 9.01 5.03 0.00 1.76 1.77 0.00 3.15 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 68 A 9.38 5.41 1.20 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 69 C 9.21 4.88 0.00 3.00 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 70 L 8.81 4.63 0.00 1.60 1.88 0.95 1.00 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 71 T 8.41 4.47 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 1.32 0.00 0.00 72 G 7.34 3.98 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 0.00 0.00 0.00 73 P 0.00 4.43 0.00 2.20 2.08 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.21 3.87 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 0.81 0.00 0.00 0.96 0.00 0.00 75 R 9.32 4.60 0.00 1.92 1.84 0.00 3.26 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 76 A 8.61 5.23 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 77 S 8.70 4.57 0.00 3.84 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 78 H 8.59 4.93 0.00 3.18 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.94 4.99 0.00 2.81 2.85 0.00 0.00 6.88 6.32 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 80 G 8.58 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 0.00 0.00 0.00 81 C 7.79 5.51 0.00 2.88 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 82 G 8.96 4.55 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 83 A 9.21 5.55 1.20 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 84 M 9.26 5.20 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 85 P 0.00 5.60 0.00 2.17 2.24 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 86 F 8.83 5.53 0.00 3.24 3.18 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 87 R 9.25 4.94 0.00 1.95 1.80 0.00 3.06 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 88 V 8.72 4.94 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 0.82 0.00 0.00 1.15 0.00 0.00 89 E 9.38 5.23 0.00 1.89 1.81 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 2.22 2.22 0.00 90 M 8.92 5.25 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 91 V 8.38 4.84 2.12 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 0.85 0.00 0.00 0.95 0.00 0.00 92 W 9.23 4.83 0.00 3.24 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 93 N 9.76 3.91 0.00 2.47 2.66 0.00 0.00 7.17 7.65 0.00 0.00 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 G 8.18 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 95 Q 7.63 4.67 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 96 P 0.00 4.96 0.00 2.09 2.08 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 97 C 9.62 5.18 0.00 3.06 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 98 A 9.21 5.16 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 99 L 9.03 5.05 0.00 1.40 1.19 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.72 5.09 0.00 2.59 2.54 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 0.00 101 V 8.47 4.68 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 1.17 0.00 0.00 0.52 0.00 0.00 102 I 8.61 5.10 1.96 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 0.57 0.99 0.00 0.00 103 D 9.28 5.59 0.00 2.83 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 0.00 104 V 8.96 4.55 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 1.06 0.00 0.00 1.00 0.00 0.00 105 M 9.23 5.13 0.00 1.22 1.72 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.13 0.00 106 R 8.65 4.87 0.00 1.82 1.70 0.00 3.08 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 107 F 9.29 5.05 0.00 2.98 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 D 8.93 4.84 0.00 2.85 2.84 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 0.00 109 E 8.57 4.03 0.00 2.09 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 1.98 2.14 0.00 110 H 8.95 4.72 0.00 3.23 3.34 0.00 5.73 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 0.00 111 G 8.47 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 0.00 0.00 0.00 112 R 7.99 4.83 0.00 2.24 1.86 0.00 3.19 0.00 0.00 3.55 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 113 I 8.43 3.62 1.04 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.33 0.53 0.00 0.00 114 Q 9.23 4.19 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 115 T 7.52 5.22 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 1.20 0.00 0.00 116 M 9.09 5.15 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 117 Q 9.33 5.14 0.00 1.94 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 118 A 8.96 5.39 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 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 9.27 4.94 0.00 3.12 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 0.00 120 W 8.11 4.84 0.00 3.37 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 0.00 121 S 8.75 4.40 0.00 3.94 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 0.00 122 E 8.86 4.40 0.00 2.17 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 0.00 2.49 2.56 0.00 123 V 7.36 3.74 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 0.70 0.00 0.00 0.99 0.00 0.00 124 N 8.74 4.91 0.00 2.97 3.03 0.00 0.00 6.39 6.63 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 0.00 125 L 7.96 4.98 0.00 1.70 1.78 0.96 0.89 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 0.00 126 S 9.32 4.86 0.00 3.73 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.04 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 0.84 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.