NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2482 8.2493 123.5828 51.4435 19.8286 175.7462 3 I 3.5068 7.7780 113.2520 61.0502 37.6338 172.4890 4 T 4.7024 8.6050 117.5642 64.0678 76.4400 175.9725 5 K 4.5891 7.7678 118.6072 56.0014 33.3787 178.0267 6 I 4.1259 7.5451 114.1008 60.5657 35.0981 176.0755 7 N 4.8033 7.7648 127.9982 52.3852 40.6898 175.2964 8 D 4.3932 8.1507 117.8087 54.0417 40.2457 176.0307 9 C 4.6976 8.0982 116.9619 56.5323 33.2633 172.1358 10 F 4.4168 7.5681 119.4729 59.1054 38.0700 177.3443 11 E 3.9401 9.1490 122.6833 60.1284 30.3109 180.1078 12 L 4.0061 8.0276 121.6430 56.9679 42.9271 178.4128 13 L 3.9038 7.7374 115.1246 58.0045 41.0181 178.6786 14 S 4.1823 9.0138 118.5406 62.4660 62.8325 174.6869 15 M 3.8997 7.7354 119.3149 58.6741 31.6926 178.0554 16 V 3.5596 7.6799 117.4518 66.4800 31.8518 178.2398 17 T 3.9112 7.7387 114.5873 67.0237 68.4134 176.0702 18 Y 4.1983 9.3790 121.6229 60.4424 38.7325 178.2098 19 A 4.1418 8.6419 122.0895 55.1345 18.7223 179.1218 20 D 4.5313 9.4691 115.1329 56.4925 41.1088 178.5346 21 K 4.2014 8.0439 121.0370 59.0516 32.5275 178.3277 22 L 4.2893 7.8229 118.7537 57.6118 40.3470 179.2586 23 K 4.3471 7.9047 119.8228 59.7800 32.4143 178.9533 24 S 4.3570 8.0878 114.0821 61.2256 62.7390 175.6624 25 L 3.9592 8.0808 124.1270 58.3089 41.6671 179.1758 26 I 4.3176 7.7826 118.6133 63.6614 36.7703 178.2868 27 K 4.0934 7.9082 120.3104 59.4988 32.1899 178.7269 28 K 4.1305 7.9100 116.7724 59.5914 32.3242 178.7840 29 E 3.8531 7.4909 117.1934 58.4408 29.7908 176.3929 30 F 4.8222 8.4389 116.9006 55.7421 43.1451 176.4214 31 S 4.6937 8.7916 111.8102 57.5831 61.3221 174.0832 32 I 4.2608 8.6374 110.9430 60.0568 41.6403 176.3670 33 S 4.2869 7.9549 116.9796 60.8825 62.3470 176.1089 34 F 4.2000 8.2329 124.5680 61.4873 39.1103 176.4003 35 E 4.1159 8.2335 117.1631 58.6688 29.5404 178.1039 36 E 4.3064 8.0491 118.4540 58.9356 29.6961 178.0327 37 F 4.1695 10.7740 117.1849 60.8160 38.8822 177.5278 38 A 3.7938 7.6684 118.9378 55.4292 18.3579 179.8371 39 V 3.7149 7.8640 116.8080 64.5647 31.3427 178.0308 40 L 4.1042 8.8612 123.5631 58.0623 41.6118 178.7324 41 T 4.1759 7.0736 105.0155 62.8264 68.4291 174.0912 42 Y 4.6409 8.3410 120.8866 57.3523 41.4235 175.1392 43 I 4.7322 7.6383 119.3607 59.0274 40.7190 175.8111 44 S 4.6745 8.6704 117.5666 58.8554 63.8099 174.9198 45 E 4.4295 7.9445 122.5679 56.9406 30.1856 176.6361 46 N 3.8647 8.2307 116.5211 56.1503 37.1630 176.7540 47 K 4.2574 7.9205 120.7244 59.3719 32.0337 177.5352 48 E 4.1600 9.3654 122.6840 58.4496 29.3681 178.0253 49 K 4.4440 8.0353 119.5114 59.1085 32.9550 178.0697 50 E 4.0183 7.8299 120.6426 60.5067 29.2843 178.2915 51 Y 4.2282 8.3172 116.3207 60.6542 36.8879 177.1889 52 Y 4.5051 8.2945 120.5169 59.6903 38.6900 177.2082 53 L 4.4068 8.1203 119.4917 55.9490 42.9024 178.2229 54 K 3.9749 7.8017 115.7676 57.6259 32.1441 175.8579 55 D 4.4258 8.1925 115.1098 56.0481 43.9927 177.0147 56 I 4.2780 6.7316 117.8133 60.7395 37.0911 177.0306 *67 V 4.1187 7.6478 121.0890 61.7916 33.7199 178.0119 68 V 3.6094 7.6929 119.5313 65.6843 31.6332 178.0382 69 K 4.0945 8.0098 117.3753 59.9094 32.3681 177.3948 70 A 4.0641 8.0802 122.9113 54.6466 18.1246 178.8768 71 V 3.3777 7.8428 116.2295 65.0128 31.8885 178.9449 72 K 3.8500 7.7321 119.1996 59.5009 32.0036 178.9247 73 I 3.5980 7.9580 120.5169 64.1004 37.1335 177.9688 74 L 3.8650 8.5092 121.7441 58.4471 41.6665 179.0777 75 S 4.0715 7.7489 111.7412 61.2025 62.5478 175.6785 76 Q 3.7289 7.4643 119.8293 58.7796 28.6853 178.0378 77 E 3.2372 8.0518 120.4334 58.6891 29.4725 178.6278 78 D 4.4896 7.7674 117.8839 56.8139 40.8674 177.3298 79 Y 4.3991 7.8930 120.5551 60.9574 37.6171 178.1620 80 F 4.4317 7.9269 113.7006 58.8611 37.9564 176.7449 81 D 4.7007 8.0930 118.4540 56.8516 40.9697 177.7475 82 K 3.9556 8.1060 119.9068 58.8862 32.4332 178.2025 83 K 4.3101 7.6689 115.5222 57.1212 31.7430 178.0049 84 R 4.1688 7.3336 120.3922 58.4670 30.8754 177.9628 85 N 4.4606 7.5326 114.3037 55.8109 38.7671 176.9927 86 E 4.1196 8.3602 121.3424 59.4530 29.8767 178.2781 87 H 4.4495 7.8130 113.6716 57.6990 28.4823 176.1599 88 D 4.5080 7.8911 119.7549 55.8749 41.2236 176.7603 89 E 4.3466 7.8460 116.9460 58.2750 29.6985 177.1693 90 R 4.6012 7.5246 116.4775 56.3501 32.0415 175.3437 91 T 4.2289 7.8074 111.0130 61.8408 67.5313 175.8976 92 V 3.8842 7.4310 118.5005 62.9827 31.8138 177.5460 93 L 3.8607 7.7059 122.7960 58.3088 41.6275 178.7422 94 I 3.5000 7.7197 114.7220 63.8624 37.2287 176.7455 95 L 4.0175 8.5864 119.7170 58.7477 42.3685 178.3201 96 V 3.8568 7.6222 117.7722 66.0149 31.6028 177.5079 97 N 4.2733 9.0730 117.4646 56.5372 38.6724 176.7028 98 A 4.0769 9.1936 123.0623 54.5855 18.5327 179.4191 99 Q 3.8507 8.8247 119.3747 59.6363 29.0854 178.5116 100 Q 4.1122 9.6013 116.8384 58.2063 28.8460 178.7851 101 R 4.0313 7.8197 119.8687 59.0784 29.9554 178.7633 102 K 3.8705 8.5515 119.7503 59.3931 32.0126 178.5988 103 K 3.9277 8.2441 119.2471 59.0630 32.0094 178.3385 104 I 3.9017 7.8270 113.3684 63.4603 37.9764 177.0636 105 E 4.4229 7.8367 118.7799 58.0897 30.4331 176.8708 106 S 3.9807 10.1112 111.1780 61.9548 61.7901 175.7248 107 L 4.0478 7.8701 121.2661 58.3704 42.3993 179.2299 108 L 4.3676 8.0651 119.6247 58.3583 41.9250 178.2589 109 S 4.4531 8.5016 112.2881 59.7539 62.2064 175.5578 110 R 4.2323 9.3121 118.7356 59.1309 29.4633 178.1633 111 V 3.6700 7.6288 113.5267 64.5748 31.3664 177.2646 112 N 4.5799 8.7900 117.7801 55.2350 38.3214 176.9631 113 K 4.1142 7.6990 121.3244 58.6742 32.2015 178.3576 114 R 4.1767 10.1178 118.9983 59.6187 30.3302 178.7858 115 I 3.8431 7.5225 111.1281 63.1415 37.4954 176.1163 116 T 4.1526 8.8980 116.1907 61.7335 68.9029 174.3801 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 8.25 4.25 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 3 I 7.78 3.51 1.88 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 1.42 0.51 0.92 0.00 0.00 4 T 8.60 4.70 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 1.21 0.00 0.00 5 K 7.77 4.59 0.00 1.75 1.90 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.27 7.81 6 I 7.55 4.13 1.89 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 1.43 0.42 0.93 0.00 0.00 7 N 7.76 4.80 0.00 2.71 2.83 0.00 0.00 7.23 8.06 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 8 D 8.15 4.39 0.00 2.73 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 9 C 8.10 4.70 0.00 2.62 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 10 F 7.57 4.42 0.00 3.13 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 11 E 9.15 3.94 0.00 2.15 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 2.44 2.37 0.00 12 L 8.03 4.01 0.00 1.66 1.67 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.74 3.90 0.00 2.13 1.55 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.01 4.18 0.00 3.96 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 15 M 7.74 3.90 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 16 V 7.68 3.56 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 1.03 0.00 0.00 0.97 0.00 0.00 17 T 7.74 3.91 4.43 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 1.27 0.00 0.00 18 Y 9.38 4.20 0.00 3.00 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 19 A 8.64 4.14 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 20 D 9.47 4.53 0.00 2.87 2.79 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 21 K 8.04 4.20 0.00 2.07 2.06 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.48 7.81 22 L 7.82 4.29 0.00 2.16 2.08 1.07 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.90 4.35 0.00 2.02 2.05 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.65 7.81 24 S 8.09 4.36 0.00 4.10 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 25 L 8.08 3.96 0.00 2.00 1.93 1.04 0.85 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 26 I 7.78 4.32 1.88 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 1.07 0.77 0.66 0.00 0.00 27 K 7.91 4.09 0.00 2.12 2.08 0.00 1.93 0.00 0.00 1.91 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.59 7.81 28 K 7.91 4.13 0.00 1.74 1.85 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.50 7.81 29 E 7.49 3.85 0.00 1.78 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 1.65 1.53 0.00 30 F 8.44 4.82 0.00 2.96 2.45 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 31 S 8.79 4.69 0.00 3.96 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 32 I 8.64 4.26 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.38 0.98 0.00 0.00 33 S 7.95 4.29 0.00 3.95 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 34 F 8.23 4.20 0.00 3.06 3.20 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 35 E 8.23 4.12 0.00 2.13 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 2.38 2.44 0.00 36 E 8.05 4.31 0.00 2.33 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 0.00 2.62 2.44 0.00 37 F 10.77 4.17 0.00 3.18 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 38 A 7.67 3.79 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 39 V 7.86 3.71 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 0.97 0.00 0.00 0.92 0.00 0.00 40 L 8.86 4.10 0.00 1.78 1.95 0.50 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.07 4.18 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 1.25 0.00 0.00 42 Y 8.34 4.64 0.00 2.84 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 43 I 7.64 4.73 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.29 0.99 0.00 0.00 44 S 8.67 4.67 0.00 3.99 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 45 E 7.94 4.43 0.00 2.04 1.99 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 2.31 2.30 0.00 46 N 8.23 3.86 0.00 3.12 3.14 0.00 0.00 6.28 7.20 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 47 K 7.92 4.26 0.00 1.82 1.95 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 48 E 9.37 4.16 0.00 2.48 1.84 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 2.40 2.33 0.00 49 K 8.04 4.44 0.00 2.15 2.27 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.60 7.81 50 E 7.83 4.02 0.00 2.53 2.38 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 2.60 2.83 0.00 51 Y 8.32 4.23 0.00 3.04 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 52 Y 8.29 4.51 0.00 3.17 3.03 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 53 L 8.12 4.41 0.00 1.84 1.61 0.78 1.02 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 54 K 7.80 3.97 0.00 1.70 0.96 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.27 7.81 55 D 8.19 4.43 0.00 2.31 2.42 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 56 I 6.73 4.28 1.70 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 1.33 0.81 0.85 0.00 0.00 *67 V 7.65 4.12 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 0.79 0.00 0.00 0.93 0.00 0.00 68 V 7.69 3.61 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 1.06 0.00 0.00 0.92 0.00 0.00 69 K 8.01 4.09 0.00 2.02 2.05 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 70 A 8.08 4.06 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 71 V 7.84 3.38 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 0.95 0.00 0.00 0.92 0.00 0.00 72 K 7.73 3.85 0.00 1.85 1.90 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.43 7.81 73 I 7.96 3.60 2.14 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 1.41 0.25 0.88 0.00 0.00 74 L 8.51 3.87 0.00 1.71 1.64 0.91 0.84 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 75 S 7.75 4.07 0.00 3.85 3.75 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 76 Q 7.46 3.73 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 77 E 8.05 3.24 0.00 2.17 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 2.07 2.23 0.00 78 D 7.77 4.49 0.00 2.78 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 79 Y 7.89 4.40 0.00 2.88 2.90 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 80 F 7.93 4.43 0.00 3.14 2.62 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 81 D 8.09 4.70 0.00 3.36 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 82 K 8.11 3.96 0.00 1.97 1.84 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.51 7.81 83 K 7.67 4.31 0.00 1.75 1.78 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.37 7.81 84 R 7.33 4.17 0.00 2.02 1.88 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 85 N 7.53 4.46 0.00 2.70 2.90 0.00 0.00 7.08 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 86 E 8.36 4.12 0.00 2.38 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 2.31 2.32 0.00 87 H 7.81 4.45 0.00 3.51 3.57 0.00 5.33 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.89 4.51 0.00 3.01 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 89 E 7.85 4.35 0.00 2.16 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 2.34 2.49 0.00 90 R 7.52 4.60 0.00 1.66 1.81 0.00 3.13 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 91 T 7.81 4.23 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 0.90 0.00 0.00 92 V 7.43 3.88 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 0.74 0.00 0.00 0.90 0.00 0.00 93 L 7.71 3.86 0.00 1.68 1.74 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.72 3.50 1.83 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 1.57 1.25 0.90 0.00 0.00 95 L 8.59 4.02 0.00 1.81 1.69 0.93 0.78 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 96 V 7.62 3.86 2.44 0.00 0.00 0.00 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 0.92 0.00 0.00 97 N 9.07 4.27 0.00 2.74 3.10 0.00 0.00 7.25 5.53 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 98 A 9.19 4.08 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 99 Q 8.82 3.85 0.00 2.23 2.28 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 2.38 0.00 100 Q 9.60 4.11 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 101 R 7.82 4.03 0.00 1.97 1.92 0.00 3.31 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 102 K 8.55 3.87 0.00 1.76 1.89 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.45 7.81 103 K 8.24 3.93 0.00 1.72 1.96 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 104 I 7.83 3.90 1.86 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 1.66 0.70 1.02 0.00 0.00 105 E 7.84 4.42 0.00 2.04 1.99 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 2.30 2.38 0.00 106 S 10.11 3.98 0.00 3.81 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 0.00 107 L 7.87 4.05 0.00 1.89 1.64 0.91 0.54 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 0.00 108 L 8.07 4.37 0.00 1.69 1.75 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.50 4.45 0.00 4.09 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 0.00 110 R 9.31 4.23 0.00 2.08 2.22 0.00 2.83 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 111 V 7.63 3.67 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 1.09 0.00 0.00 0.97 0.00 0.00 112 N 8.79 4.58 0.00 2.62 2.87 0.00 0.00 7.14 7.59 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 0.00 113 K 7.70 4.11 0.00 1.99 1.81 0.00 1.55 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.62 7.81 114 R 10.12 4.18 0.00 1.82 2.02 0.00 3.38 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 115 I 7.52 3.84 1.87 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 1.58 0.40 0.97 0.00 0.00 116 T 8.90 4.15 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 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.