NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.9239 8.2676 119.4831 53.1933 41.3341 174.7225 12 P 4.9718 0.0000 0.0000 60.2019 31.9087 173.6628 13 I 4.2303 8.5879 114.5626 59.3253 40.2024 176.1305 14 Y 4.6621 8.2015 122.1507 55.7602 40.0467 176.1361 15 F 4.2710 9.1938 123.7955 61.6860 39.3093 177.5381 16 E 3.8637 8.2515 116.0583 58.8808 29.6794 178.1520 17 S 4.2171 8.0441 115.7714 60.9788 63.1199 174.8620 18 I 3.9925 7.2103 121.8673 60.7721 37.4054 175.2405 19 Q 4.4939 9.5314 123.8049 53.5855 30.8054 175.1311 20 I 3.7618 8.2038 122.0465 63.1670 37.5346 175.5501 21 G 4.0920 8.8116 113.2760 45.5925 0.0000 174.2734 22 E 4.1609 8.0455 119.6498 56.3689 30.4549 176.1636 23 K 5.1369 8.6439 124.2187 54.6770 35.5529 174.8596 24 I 4.5292 9.5057 128.0128 59.5081 39.8731 174.0111 25 E 4.7061 8.8400 128.2661 54.4743 30.4999 175.7071 26 G 3.9386 8.8403 115.2187 45.4588 0.0000 172.4355 27 L 4.3543 8.2671 123.0289 53.4378 42.7140 175.0254 28 P 4.8396 0.0000 0.0000 63.0225 32.3971 175.8696 29 R 4.7039 8.5017 117.5735 55.1708 33.2923 174.1197 30 T 4.7766 8.4687 118.8663 62.8831 69.1569 174.9488 31 V 3.9432 8.5830 127.9386 62.0404 32.2571 175.5259 32 T 4.8266 8.8861 117.7065 59.2943 70.9369 174.1757 33 E 4.0874 8.8310 123.2699 59.8180 29.4360 178.5288 34 T 3.9500 8.0056 115.1355 66.8332 68.4844 175.9149 35 D 4.3698 8.0138 119.9811 57.4832 40.9374 178.5720 36 I 3.7542 7.9124 120.0516 64.4686 37.2152 178.5862 37 W 3.2623 8.8867 119.9147 59.6965 28.7198 178.7067 38 T 3.8085 8.2321 116.1040 66.6405 67.9313 176.4165 39 F 3.8924 8.2161 122.2506 61.0759 39.4826 177.0069 40 A 3.6372 7.7106 120.4641 55.0517 17.9605 179.1077 41 Y 4.4105 8.0113 115.5408 61.3882 37.8209 178.3729 42 L 3.9402 7.8982 120.2929 58.0944 42.2034 178.3099 43 T 4.1264 7.4139 105.7114 60.2592 69.2728 174.1027 44 A 3.8761 7.6540 123.0947 53.4599 16.8325 176.8945 45 D 4.7717 7.7510 118.9109 54.4080 42.3967 176.4447 46 F 4.2971 8.4363 129.7323 55.7390 38.1332 176.1535 47 F 4.0690 8.1192 123.7838 57.2272 40.2893 173.8163 48 P 3.8243 0.0000 0.0000 65.6421 30.4759 178.0873 49 L 4.1654 7.0726 119.9072 57.4730 42.3414 177.8250 50 H 4.7202 8.2292 115.1257 56.7197 29.6307 175.8030 51 T 4.3982 7.6406 106.2092 60.7917 69.2691 173.2386 52 D 4.7668 8.2389 122.1227 52.0320 41.9949 175.9027 53 V 3.7471 8.7178 126.6254 66.2713 31.2286 177.3980 54 E 4.0946 8.2813 116.4577 59.2951 29.8130 178.6552 55 F 4.1730 8.9814 120.7287 61.2958 39.4897 176.8657 56 A 4.2675 8.4431 120.4345 55.4247 17.8839 179.5699 57 K 4.4185 7.5084 116.0467 58.7650 32.2137 178.1139 58 K 4.2051 7.6272 115.4022 56.6799 32.1996 176.6385 59 T 4.4012 7.6076 110.9905 59.7120 70.5671 175.4093 60 I 3.7427 8.0502 120.7987 62.8082 37.9897 176.1449 61 F 4.6807 8.0087 117.1892 57.6858 40.1654 176.6926 62 G 4.3954 8.5012 113.6230 45.3087 0.0000 173.6983 63 K 5.0098 7.8323 116.5989 53.1634 34.9079 173.9360 64 P 4.8095 0.0000 0.0000 62.6782 32.1508 175.2870 65 I 4.7514 7.5430 111.9130 58.6403 40.6474 174.9211 66 A 4.1202 8.3890 124.9332 51.8243 19.1956 177.5774 67 Q 3.5961 8.1076 118.6236 54.5693 30.4009 178.9226 68 G 2.7878 7.9010 111.0839 45.4395 0.0000 175.3522 *70 L 3.2573 8.1457 122.4350 54.3008 43.7871 178.8296 71 V 3.5032 7.3453 117.6400 65.7579 31.2223 177.7122 72 L 3.9167 8.0643 120.1394 58.2401 41.9586 179.1145 73 S 4.0903 7.8770 114.4926 61.8141 62.6565 176.6540 74 I 3.6668 7.8741 121.2347 64.1870 36.8280 178.0551 75 A 4.0646 7.9081 120.9177 55.2885 18.5406 179.1588 76 L 4.0013 8.2330 117.3500 57.7286 41.6150 180.6115 77 G 3.8162 7.9503 102.2278 45.4535 0.0000 175.3102 *79 V 3.9808 7.7251 122.3272 62.5635 33.4148 177.1493 80 D 4.2598 8.1161 118.6929 57.1343 40.7657 177.8039 81 Q 4.0249 8.0460 120.3999 59.1243 28.7111 178.7068 82 V 3.5968 7.3585 118.6061 65.9172 31.9149 177.8496 83 I 4.0439 7.6814 119.0939 64.4980 36.8530 178.0635 84 L 4.0679 8.3094 119.1778 57.3604 41.4885 178.8093 85 S 4.6485 7.4725 111.2054 58.2550 63.4226 174.2173 86 N 4.7296 8.0182 117.7717 52.9590 40.4481 173.6896 87 Y 4.9184 7.4040 113.6897 56.1046 42.3617 174.3318 88 D 4.5965 8.4278 121.4731 53.6736 40.8818 176.6701 89 V 3.9713 8.2714 120.1627 61.6559 31.3840 178.7196 90 S 4.2358 8.1680 117.4275 60.7153 63.0978 175.4618 91 S 4.1541 7.8023 115.0705 59.6826 63.3404 173.5440 92 V 4.1614 7.3483 121.4669 62.5108 30.1600 176.0257 93 I 4.0429 8.4607 128.2514 63.8361 37.4959 176.0261 94 A 4.6151 7.9746 120.9617 50.8236 23.2956 175.0280 95 F 4.8904 8.7908 122.2487 57.5954 39.1788 175.4102 96 F 4.0840 9.7035 129.9259 59.5739 39.4692 175.2290 97 G 3.9077 7.6754 100.6287 45.9593 0.0000 171.4943 98 I 4.9129 8.2150 120.5370 59.5837 38.3703 176.1396 99 K 4.1661 9.6562 129.8784 58.6361 32.2499 176.1803 100 D 4.9352 7.9855 118.2612 52.2676 44.7604 173.7401 101 V 4.6212 8.3175 124.2939 61.1522 34.5244 174.4022 102 R 4.3255 9.0142 126.9517 54.3684 33.1383 174.9605 103 F 4.7532 8.5474 123.4730 56.6969 38.5687 176.0307 104 L 4.2661 8.6872 123.6250 57.0519 41.7716 177.2395 105 R 4.9190 7.8243 117.6113 53.5832 33.0952 172.8692 106 P 4.3563 0.0000 0.0000 62.4958 32.8347 175.3760 107 V 4.3016 7.7732 121.0996 61.3371 33.4994 175.1288 108 F 4.9303 9.4841 127.2377 56.0457 40.2624 176.9237 109 I 3.7206 8.6691 123.4812 63.9780 36.9240 177.1127 110 G 4.0836 7.9664 106.0239 45.0454 0.0000 173.1815 111 D 4.8987 8.3288 120.9137 54.1124 42.5159 175.6983 112 T 4.9365 8.5287 118.1522 62.0097 71.0674 173.2607 113 I 4.7805 8.2982 120.2375 59.5637 40.4119 174.7126 114 A 5.0254 8.9123 124.6532 50.2851 22.3923 174.9317 115 A 5.4310 8.6736 123.1355 50.1914 22.7821 175.2115 116 S 5.1650 9.3139 113.5365 56.6549 66.9609 172.7915 117 A 5.3897 9.2063 123.3192 50.2599 22.4082 174.5756 118 E 5.1114 9.0473 121.9619 54.0630 33.4826 174.9540 119 V 3.7694 8.9756 127.5835 63.1807 31.9989 176.3906 120 V 4.4342 8.3466 120.2853 61.2012 33.7331 175.2496 121 E 4.7183 7.5402 119.7671 55.1042 33.0627 173.7912 122 K 5.1921 8.3776 123.0322 55.1493 36.2506 175.6371 123 Q 4.7532 9.2212 122.6296 54.0424 33.1434 174.3521 124 D 4.5990 8.7930 121.4849 54.3909 41.9568 174.7159 125 F 4.6288 8.6061 123.1553 59.1930 41.6189 174.2623 126 D 4.5133 7.9315 117.4604 52.2733 41.7824 175.0919 127 E 4.2087 8.7192 115.9128 58.2745 29.9134 177.2491 128 K 4.5186 8.2511 118.3473 56.1476 33.8263 175.1255 129 S 4.8343 7.5831 111.4426 57.7095 66.6616 174.2075 130 G 3.3540 8.2007 106.6899 44.3157 0.0000 171.6510 131 V 4.5831 7.9476 113.8459 59.4987 33.8479 175.2790 132 V 4.8187 8.7577 125.0782 61.4222 34.0758 174.2063 133 T 4.9228 8.5470 124.3202 62.0066 71.0749 172.9700 134 Y 4.8777 9.0013 123.6648 55.9068 41.6951 174.4563 135 K 4.8299 9.1127 124.3993 54.8905 34.2133 174.5717 136 L 5.2948 9.5720 131.2536 53.7536 44.3416 174.8764 137 E 5.0599 9.4208 125.1483 54.5786 33.6813 174.5854 138 V 4.9943 8.9333 124.6805 60.8630 34.3755 174.2658 139 K 5.7807 9.4597 127.3348 54.1007 36.0491 176.4369 140 N 5.4945 8.8555 119.8453 51.2462 38.9005 175.3076 141 Q 4.0782 8.7526 115.2834 58.7587 28.3502 177.7239 142 R 4.3696 8.3118 115.4126 55.7821 29.8963 178.5244 143 G 4.0032 8.1447 107.4132 46.9164 0.0000 175.0399 144 E 3.9690 7.7315 120.0934 56.2350 29.9563 176.0867 145 L 4.6903 8.3494 124.8472 54.5884 42.1670 176.3377 146 V 4.1270 8.8625 121.3721 63.1493 33.2141 176.2212 147 L 5.1152 7.6120 120.2158 53.9306 45.8820 174.5933 148 T 5.1788 8.6708 117.9482 60.7849 71.2417 172.2661 149 A 5.0386 8.9547 127.6440 51.1621 23.7352 174.6965 150 L 5.4370 9.4329 121.6879 53.5221 44.8411 175.0398 151 Y 5.6963 8.8545 123.8098 55.4812 42.1824 174.2771 152 S 5.4362 10.0276 114.2510 56.8083 66.9656 172.6133 153 A 5.4516 9.2246 123.0446 50.2230 22.8509 174.8124 154 L 4.6919 9.0384 123.6599 53.7035 43.5614 175.3705 155 I 4.9726 8.3720 120.3901 58.6077 40.7867 175.1936 156 R 4.5627 9.1177 125.5436 56.8582 31.1087 175.6512 157 K 5.0978 8.8568 124.8197 55.1713 33.8563 176.9666 158 T 3.0163 8.2828 119.7440 63.2343 68.9495 172.9088 159 P 4.3767 0.0000 0.0000 62.8489 31.3523 176.3040 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 11 N 8.27 4.92 0.00 2.90 2.91 0.00 0.00 6.83 6.82 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 12 P 0.00 4.97 0.00 1.79 1.96 0.00 3.45 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 13 I 8.59 4.23 1.58 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 0.16 0.00 0.00 14 Y 8.20 4.66 0.00 3.14 3.15 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 15 F 9.19 4.27 0.00 3.05 3.17 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 16 E 8.25 3.86 0.00 2.09 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 2.35 2.29 0.00 17 S 8.04 4.22 0.00 4.00 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 18 I 7.21 3.99 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.76 0.00 0.00 19 Q 9.53 4.49 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 20 I 8.20 3.76 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.40 0.91 0.00 0.00 21 G 8.81 4.09 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 0.00 0.00 0.00 22 E 8.05 4.16 0.00 1.94 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 2.32 2.51 0.00 23 K 8.64 5.14 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.62 7.81 24 I 9.51 4.53 1.92 0.00 0.00 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 1.20 0.77 0.94 0.00 0.00 25 E 8.84 4.71 0.00 1.96 1.86 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 2.21 2.36 0.00 26 G 8.84 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 27 L 8.27 4.35 0.00 1.61 1.58 0.92 0.95 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 28 P 0.00 4.84 0.00 1.98 1.97 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 R 8.50 4.70 0.00 1.87 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.47 4.78 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 1.30 0.00 0.00 31 V 8.58 3.94 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 0.69 0.00 0.00 0.89 0.00 0.00 32 T 8.89 4.83 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 1.33 0.00 0.00 33 E 8.83 4.09 0.00 2.05 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 2.00 2.12 0.00 34 T 8.01 3.95 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 35 D 8.01 4.37 0.00 2.98 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 36 I 7.91 3.75 2.31 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.99 0.68 0.00 0.00 37 W 8.89 3.26 0.00 3.36 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 38 T 8.23 3.81 4.44 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 0.00 0.00 0.00 1.28 0.00 0.00 39 F 8.22 3.89 0.00 3.15 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 40 A 7.71 3.64 0.09 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 0.00 0.00 41 Y 8.01 4.41 0.00 3.12 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 42 L 7.90 3.94 0.00 1.63 1.61 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.41 4.13 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 0.31 0.00 0.00 44 A 7.65 3.88 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 45 D 7.75 4.77 0.00 2.68 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 46 F 8.44 4.30 0.00 2.97 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 47 F 8.12 4.07 0.00 3.25 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 48 P 0.00 3.82 0.00 0.49 1.62 0.00 2.31 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.79 0.00 49 L 7.07 4.17 0.00 1.88 1.69 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.23 4.72 0.00 3.04 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.64 4.40 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 -0.29 0.00 0.00 52 D 8.24 4.77 0.00 2.62 2.72 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 53 V 8.72 3.75 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 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.28 4.09 0.00 2.14 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 2.36 2.46 0.00 55 F 8.98 4.17 0.00 3.06 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 56 A 8.44 4.27 1.55 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 57 K 7.51 4.42 0.00 1.97 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.62 7.81 58 K 7.63 4.21 0.00 1.51 1.69 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.29 7.81 59 T 7.61 4.40 4.42 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 1.26 0.00 0.00 60 I 8.05 3.74 1.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.09 0.00 0.00 61 F 8.01 4.68 0.00 3.26 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 62 G 8.50 4.40 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 0.00 63 K 7.83 5.01 0.00 1.96 1.88 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.17 7.81 64 P 0.00 4.81 0.00 2.33 2.20 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 65 I 7.54 4.75 1.46 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.45 0.25 0.00 0.00 66 A 8.39 4.12 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 67 Q 8.11 3.60 0.00 1.45 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.16 0.00 0.00 0.00 0.00 0.00 2.22 1.51 0.00 68 G 7.90 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 0.00 0.00 0.00 *70 L 8.15 3.26 0.00 0.50 1.36 0.74 0.72 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 71 V 7.35 3.50 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 0.99 0.00 0.00 0.85 0.00 0.00 72 L 8.06 3.92 0.00 1.97 1.66 0.90 0.96 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 73 S 7.88 4.09 0.00 3.99 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 74 I 7.87 3.67 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.56 0.88 0.00 0.00 75 A 7.91 4.06 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 76 L 8.23 4.00 0.00 1.55 1.45 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.95 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 0.00 0.00 0.00 *79 V 7.73 3.98 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 0.92 0.00 0.00 0.94 0.00 0.00 80 D 8.12 4.26 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 4.02 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.36 3.60 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 0.90 0.00 0.00 0.98 0.00 0.00 83 I 7.68 4.04 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.73 1.00 0.00 0.00 84 L 8.31 4.07 0.00 1.84 1.74 0.91 0.87 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 85 S 7.47 4.65 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 86 N 8.02 4.73 0.00 2.37 1.99 0.00 0.00 6.65 6.91 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 87 Y 7.40 4.92 0.00 2.90 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 88 D 8.43 4.60 0.00 2.74 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 89 V 8.27 3.97 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 0.90 0.00 0.00 0.93 0.00 0.00 90 S 8.17 4.24 0.00 3.99 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 91 S 7.80 4.15 0.00 3.82 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 92 V 7.35 4.16 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 0.74 0.00 0.00 0.89 0.00 0.00 93 I 8.46 4.04 2.06 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 1.30 0.86 0.94 0.00 0.00 94 A 7.97 4.62 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 95 F 8.79 4.89 0.00 3.03 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 96 F 9.70 4.08 0.00 3.15 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 97 G 7.68 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 98 I 8.22 4.91 1.83 0.00 0.00 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 0.96 0.92 1.00 0.00 0.00 99 K 9.66 4.17 0.00 1.79 1.96 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.42 7.81 100 D 7.99 4.94 0.00 2.78 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 0.00 0.00 0.00 0.00 101 V 8.32 4.62 1.83 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 0.27 0.00 0.00 0.88 0.00 0.00 102 R 9.01 4.33 0.00 1.61 1.71 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.79 0.00 103 F 8.55 4.75 0.00 2.95 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 0.00 104 L 8.69 4.27 0.00 1.81 1.75 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.82 4.92 0.00 1.82 1.79 0.00 3.38 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 106 P 0.00 4.36 0.00 1.37 1.83 0.00 3.88 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 1.93 2.25 0.00 107 V 7.77 4.30 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 1.04 0.00 0.00 0.86 0.00 0.00 108 F 9.48 4.93 0.00 3.40 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 0.00 109 I 8.67 3.72 1.98 0.00 0.00 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 1.46 0.59 0.96 0.00 0.00 110 G 7.97 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 0.00 111 D 8.33 4.90 0.00 2.77 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 0.00 112 T 8.53 4.94 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 1.22 0.00 0.00 113 I 8.30 4.78 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.90 0.00 0.00 114 A 8.91 5.03 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 0.00 115 A 8.67 5.43 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 0.00 116 S 9.31 5.16 0.00 3.83 4.09 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 0.00 117 A 9.21 5.39 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 0.00 118 E 9.05 5.11 0.00 2.05 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 2.16 2.34 0.00 119 V 8.98 3.77 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 0.57 0.00 0.00 0.76 0.00 0.00 120 V 8.35 4.43 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 0.69 0.00 0.00 0.86 0.00 0.00 121 E 7.54 4.72 0.00 1.94 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 0.00 2.25 2.30 0.00 122 K 8.38 5.19 0.00 1.53 1.55 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.28 7.81 123 Q 9.22 4.75 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 124 D 8.79 4.60 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 4.63 0.00 2.68 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 0.00 126 D 7.93 4.51 0.00 2.76 2.53 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 0.00 127 E 8.72 4.21 0.00 2.09 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 0.00 2.28 2.27 0.00 128 K 8.25 4.52 0.00 2.01 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.58 4.83 0.00 3.89 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 0.00 130 G 8.20 3.35 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 0.00 131 V 7.95 4.58 1.66 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 -0.35 0.00 0.00 0.72 0.00 0.00 132 V 8.76 4.82 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 0.41 0.00 0.00 1.08 0.00 0.00 133 T 8.55 4.92 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 1.19 0.00 0.00 134 Y 9.00 4.88 0.00 1.46 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 9.11 4.83 0.00 1.75 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.57 5.29 0.00 2.06 1.77 1.06 0.71 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 0.00 137 E 9.42 5.06 0.00 1.91 1.80 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 2.22 2.24 0.00 138 V 8.93 4.99 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 1.05 0.00 0.00 0.93 0.00 0.00 139 K 9.46 5.78 0.00 1.97 1.87 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.20 7.81 140 N 8.86 5.49 0.00 3.01 3.06 0.00 0.00 6.47 7.10 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 0.00 141 Q 8.75 4.08 0.00 2.24 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 142 R 8.31 4.37 0.00 2.04 2.18 0.00 2.93 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 143 G 8.14 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 0.00 144 E 7.73 3.97 0.00 2.18 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 2.36 2.45 0.00 145 L 8.35 4.69 0.00 1.60 1.62 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.86 4.13 2.22 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 0.60 0.00 0.00 0.96 0.00 0.00 147 L 7.61 5.12 0.00 1.73 1.45 1.06 0.60 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 0.00 148 T 8.67 5.18 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 1.22 0.00 0.00 149 A 8.95 5.04 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 0.00 150 L 9.43 5.44 0.00 1.73 1.54 0.92 1.09 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 0.00 151 Y 8.85 5.70 0.00 3.61 3.15 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 0.00 152 S 10.03 5.44 0.00 3.92 4.01 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 0.00 153 A 9.22 5.45 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 0.00 154 L 9.04 4.69 0.00 1.73 1.58 0.52 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.37 4.97 1.91 0.00 0.00 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 1.44 0.99 0.98 0.00 0.00 156 R 9.12 4.56 0.00 2.03 1.94 0.00 3.20 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 157 K 8.86 5.10 0.00 1.68 1.79 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.37 7.81 158 T 8.28 3.02 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 0.76 0.00 0.00 159 P 0.00 4.38 0.00 1.97 1.94 0.00 3.28 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.