NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2972 8.1693 120.7612 54.0687 42.6652 175.4360 5 V 4.2521 7.8219 118.2189 57.6846 33.5279 175.3563 6 P 4.4414 0.0000 0.0000 62.1566 32.2393 176.7581 *8 V 3.8723 8.1190 109.2342 61.4340 33.1080 176.5529 9 V 3.4970 8.3867 123.3160 65.5513 31.7803 177.1566 10 E 4.9125 7.6062 118.0066 55.5887 29.9464 174.9087 *19 Y 4.5731 7.7610 114.3503 57.7453 39.5479 176.0354 20 D 5.5107 8.3550 125.3208 51.9408 42.2437 177.3087 21 I 3.5491 7.8276 119.1471 64.4989 37.8251 177.5413 22 Y 4.2681 7.5635 117.0197 61.1992 37.4960 178.5662 23 S 4.1991 8.0594 114.9685 61.3297 63.2651 176.2970 24 R 3.3659 7.8691 121.4593 59.3480 29.8261 178.6172 25 L 3.9890 7.8295 118.6741 57.6718 41.6301 179.0625 26 L 4.3865 8.0663 121.6202 57.4093 41.6223 179.0417 27 K 4.1155 7.7169 118.5760 58.7498 32.0635 176.8720 28 D 4.6916 8.2059 117.4952 53.6841 40.9880 176.2639 29 R 3.8278 7.9468 117.4559 57.5104 27.5268 175.5055 30 V 4.5828 7.6711 117.2183 61.1441 33.9910 173.9069 31 I 4.7748 8.7599 128.9350 59.5566 39.8435 174.5140 32 F 4.7535 8.9213 125.6235 56.2767 40.4100 175.3086 33 L 4.6372 9.1544 126.6368 53.4034 43.1641 175.2543 34 V 5.4354 7.3816 117.5018 59.4574 35.9418 177.2012 35 G 3.8371 8.7009 110.4363 44.6544 0.0000 172.7560 36 Q 4.2652 8.4584 117.7373 56.0815 29.6221 176.8894 37 V 4.0216 8.9024 125.0524 62.6518 32.1566 174.5310 38 E 5.0654 8.4434 124.8882 54.7956 32.8032 175.1458 39 D 4.4521 8.9014 118.8476 57.9550 41.2035 178.5934 40 H 4.1112 8.8198 115.1810 57.7602 30.0398 176.1066 *42 A 4.3129 8.0130 121.8835 52.5538 20.3842 179.2834 43 N 4.3932 8.3395 113.3603 56.1029 38.4297 177.7947 44 L 3.9464 7.8108 120.0372 57.5549 41.4912 179.1878 45 A 3.9890 7.8804 118.8829 55.3086 18.4899 179.0144 46 I 3.8066 7.6502 116.5571 64.7682 37.5122 178.1883 47 A 4.2525 8.1172 121.2510 55.0372 18.1825 180.1935 48 Q 4.4316 8.0954 115.7098 56.3227 28.7358 178.5700 *50 L 4.3188 7.9491 122.0452 54.9377 44.0543 179.2538 51 F 4.2245 8.5988 120.1676 61.4325 39.3525 177.2319 52 L 3.5583 8.0140 118.5828 57.4884 41.1137 179.1978 53 E 3.8236 7.9164 117.9901 59.2669 29.7680 178.2310 54 S 4.1711 7.8992 112.0619 61.3183 62.4688 175.7224 55 E 4.1586 7.7577 120.4727 57.7491 27.9592 177.3066 56 N 4.6316 7.8041 120.8811 51.8445 40.8958 172.8739 57 P 4.0303 0.0000 0.0000 64.0716 31.8621 176.4640 58 N 4.7692 8.9170 115.9538 53.6934 40.3318 175.3083 59 K 4.3310 7.3433 116.2294 55.6224 32.8737 177.1412 60 D 4.7114 8.7216 123.0172 55.0193 41.8325 175.6799 61 I 4.4712 8.8115 122.1301 59.7789 40.0641 174.3391 62 N 5.2556 9.1803 124.1656 51.4995 41.0715 173.4919 63 L 4.9548 8.9241 127.0209 53.6696 44.0743 174.4359 64 Y 5.1397 8.6609 125.8663 56.9636 39.6917 174.8361 65 I 4.8441 8.8261 125.8642 59.7405 40.1768 174.8645 66 N 4.9852 9.2563 125.5171 52.2261 40.7748 171.1019 67 S 5.0362 9.5664 117.8592 55.6231 65.6218 171.9143 68 P 4.6056 0.0000 0.0000 62.3213 31.9902 175.2523 69 G 3.7984 7.5106 106.5498 45.4142 0.0000 171.5032 70 G 4.2951 8.7344 104.4319 43.1993 0.0000 173.3030 71 A 4.3045 8.3888 122.8362 51.1540 19.3645 178.8888 72 V 3.6048 8.6561 122.7038 66.4600 31.5803 178.0384 73 T 4.0021 7.9471 107.6910 65.2053 68.1280 175.9983 74 S 4.2913 8.0417 117.0412 60.8405 63.2602 177.1750 75 A 4.6748 7.8846 125.2750 51.5304 17.5894 179.1938 *77 A 4.2358 7.9875 126.4728 53.4870 20.9430 180.0887 78 I 3.7687 7.3930 115.5280 64.4585 37.1549 177.5943 79 Y 4.1851 8.0933 119.6262 61.0687 38.8882 177.8516 80 D 4.5268 8.2795 119.1019 57.3345 40.9347 179.2775 81 T 4.2497 7.7286 115.0414 63.9933 68.1921 176.2353 *83 Q 4.1707 8.0812 121.8781 55.9430 30.8949 176.8023 84 F 4.3983 8.4947 119.7751 61.1096 39.5795 176.2177 85 V 3.8239 7.5893 112.6320 60.6941 32.0442 176.5469 86 K 3.9914 8.5465 123.4571 59.0822 32.0942 176.5387 87 P 4.4261 0.0000 0.0000 62.2763 32.1486 176.4427 88 D 4.4100 8.7460 123.0077 54.6832 42.3626 175.5133 89 V 4.7280 8.2955 122.7314 61.2160 33.2470 174.4951 90 R 4.7938 8.8603 129.9666 56.1640 31.2338 175.1190 91 T 5.1434 9.3063 115.4412 59.8033 72.0711 172.3314 92 L 5.0222 8.8115 126.9896 53.2938 45.2630 174.5219 93 C 4.9427 9.0064 128.0329 58.1481 31.8060 173.9510 94 I 3.4967 8.3319 121.5873 63.7469 37.5865 176.3691 95 G 4.1018 8.3386 107.6912 46.2957 0.0000 171.7315 96 Q 5.2629 8.7550 118.0965 53.0711 32.8966 174.1433 97 A 4.9750 9.1294 124.4932 49.8455 21.9363 175.7904 98 A 4.4443 8.5482 124.9487 51.5279 21.9761 176.6838 99 S 3.8455 8.4990 112.0268 62.1583 62.0420 176.2646 100 A 4.0500 7.9605 122.2586 55.3630 18.1961 179.4675 101 G 3.6892 8.1977 103.2686 48.1767 0.0000 175.4378 102 A 3.9935 8.7278 123.3237 54.5201 18.4327 179.3656 103 L 3.8510 8.0061 119.0100 58.4953 41.9457 179.3861 104 L 4.1058 7.5465 116.9099 57.5151 41.6805 178.7046 105 L 4.0687 8.2794 120.5596 58.4154 41.8208 178.9995 106 A 4.7411 7.7012 120.1065 53.5309 18.4673 178.7108 107 G 3.8944 7.6516 102.4057 44.0906 0.0000 173.7818 108 G 3.9764 7.2394 108.4160 45.5820 0.0000 173.5149 109 A 4.3460 8.9554 122.1998 51.2649 19.6272 177.4502 110 K 3.8891 8.6729 120.0889 58.5893 32.1402 177.6063 111 G 4.0452 9.6954 113.3101 45.1444 0.0000 173.2438 112 K 4.8155 8.2829 120.0093 56.3409 33.4484 175.8636 113 R 4.9741 7.9911 118.3351 53.7450 33.5149 175.1215 114 H 5.7503 9.5754 119.8897 54.1955 34.3116 171.7246 115 C 5.0126 7.9020 113.0174 56.5352 33.6545 172.4530 116 L 4.8771 8.3002 118.1324 52.4589 43.6106 176.6661 117 P 4.1885 0.0000 0.0000 65.4637 31.3428 177.4200 118 H 4.8353 7.9127 112.4529 55.3888 29.0354 174.7231 119 S 4.5258 7.7519 116.0866 59.1157 63.6239 173.8257 120 S 4.6728 9.3911 117.5686 56.7227 64.9045 173.4225 121 V 5.1775 8.2740 125.4535 60.1893 34.8475 173.9773 *123 I 4.2238 7.9923 114.9651 61.2900 38.9147 174.1091 124 H 5.3005 8.0936 117.5140 54.3927 31.1758 172.8831 125 Q 4.3210 8.6772 118.1690 55.7882 29.3439 176.6259 126 V 3.7985 8.3230 113.2048 61.6223 32.2015 175.9179 127 L 4.7606 7.8535 122.2413 53.4736 44.2771 176.8969 128 G 4.0168 7.3570 106.5056 48.3282 0.0000 173.0559 129 G 4.1673 8.2785 109.9200 46.1388 0.0000 171.2173 130 Y 4.7334 8.0989 120.1324 56.4328 41.9483 173.7938 131 Q 4.3579 6.2329 122.6738 53.4914 32.5340 175.1521 132 G 3.7603 8.1465 111.2991 45.4091 0.0000 172.6845 133 Q 4.3290 8.3621 120.6500 55.3119 30.8829 176.8380 134 G 3.8558 8.7698 110.3168 48.7508 0.0000 175.7610 135 T 3.9132 8.0768 118.0061 66.7299 68.3757 176.0547 136 D 4.3760 7.9976 119.7672 57.0326 40.9952 178.7031 137 I 3.7477 8.0141 120.7417 64.4914 37.0319 178.4883 138 Q 4.0425 8.2478 118.9208 58.8319 28.3954 178.7051 139 I 3.6042 7.4874 120.4629 64.8144 37.0802 178.2636 140 H 4.0545 8.2498 116.8536 58.3727 28.5429 177.6244 141 A 3.9777 8.4110 123.1857 55.0761 18.1813 179.6643 142 K 3.8174 8.1604 117.0182 59.8497 32.1941 179.3479 143 Q 3.9496 7.7736 119.7291 59.4626 28.9298 178.3119 144 T 3.9005 8.1844 117.0408 66.5197 68.3319 176.4338 145 Q 3.9404 7.9477 121.5831 58.9777 28.9924 178.1290 146 R 3.8303 7.8792 119.8511 59.4224 30.1415 178.6199 147 V 3.7146 7.8591 118.0372 66.0393 31.6023 177.9073 148 S 4.0642 8.0373 112.8299 61.5015 62.1975 175.8052 149 D 4.3586 8.2848 121.6920 57.5402 40.4915 178.8212 150 Q 3.9410 8.3560 118.7800 58.8644 28.6837 178.6526 151 L 3.8429 8.0309 121.3157 58.1536 42.0232 178.8130 152 N 4.3202 8.0478 116.1062 56.3182 38.4508 177.3848 153 Q 3.9479 8.1996 119.4099 59.0370 28.9856 178.7323 154 I 3.6362 7.7709 120.7977 64.6579 37.1520 178.5584 155 L 4.0628 8.0757 119.3196 57.4660 41.3247 179.4133 156 A 3.9191 8.3655 121.2401 55.1247 18.1731 179.3786 157 K 3.7702 8.1257 116.9798 60.1968 32.3052 178.2121 158 H 4.4814 8.0452 114.3944 57.8360 28.8747 176.9201 159 T 4.6980 7.4361 111.7280 60.6135 69.4878 176.0923 160 G 3.8590 8.3941 109.0258 45.1714 0.0000 173.5988 161 K 4.1894 7.3759 118.7085 55.4781 33.0715 176.9252 162 D 4.5836 8.1820 119.9643 53.8171 42.7503 177.5744 163 I 3.6729 8.3812 124.1950 64.9811 37.1628 178.5354 164 E 3.9345 8.1225 118.5378 59.3212 29.2963 179.2953 165 R 3.8470 7.7550 118.3226 59.4022 30.2902 178.6225 166 V 3.6756 8.1423 118.5141 65.7335 31.2775 177.5302 167 E 3.8756 8.2111 118.5544 59.2498 29.6606 178.3539 168 K 4.0064 8.0965 119.5489 59.7873 32.0186 178.4845 169 D 4.0463 7.9498 118.1790 56.5164 40.8895 177.7379 170 T 4.3539 7.6481 108.6588 61.3843 68.8624 175.9037 171 N 4.1962 7.6288 121.7536 56.3629 39.0413 174.5820 172 R 4.7206 7.4387 113.3873 53.4231 33.8909 174.5041 173 D 4.4466 8.6434 118.3776 55.6281 41.2324 176.0347 174 Y 4.6987 8.4782 124.2922 55.8454 40.7678 174.5441 175 F 4.6575 8.6050 125.7029 56.5440 40.4190 175.4657 176 L 4.8494 8.8508 122.9757 52.7014 44.9470 176.9022 177 T 4.0611 9.1591 114.4419 60.6580 69.7628 173.4854 178 P 4.1868 0.0000 0.0000 65.9573 31.1642 178.8327 179 E 3.9526 8.0761 116.6737 59.5100 29.4630 179.0990 180 E 3.9949 8.3532 118.3939 59.2686 29.3875 179.3209 181 A 4.0468 8.2394 121.2874 54.9815 18.2927 179.8483 182 V 3.7731 7.9378 118.2296 65.7455 31.4456 177.9346 183 E 3.9639 8.1612 117.7219 59.4367 29.5082 177.8356 184 Y 4.1517 8.4347 119.4595 58.8323 39.0352 176.3409 185 G 4.1082 8.0408 107.3803 45.1096 0.0000 175.2305 186 L 4.0927 8.2878 121.2174 56.5453 41.6485 176.7313 187 I 4.9756 7.4517 109.9020 59.1502 40.7444 174.9249 188 D 4.8237 8.4981 120.0043 55.7585 42.3196 177.0565 189 S 4.5738 7.4807 110.1300 57.6446 66.0652 174.0471 190 I 4.6923 8.2453 121.1829 59.6069 39.3101 175.0609 191 F 5.0189 8.2602 125.2142 56.0076 39.7303 175.9891 192 K 4.0575 9.0895 125.6945 58.8562 32.3378 175.9345 193 E 4.7178 7.6405 115.5925 53.4838 33.0462 174.4195 194 R 3.5501 8.3942 121.8283 55.5141 30.4794 174.4235 195 P 4.2571 0.0000 0.0000 63.0742 31.1064 175.9954 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 4 L 8.17 4.30 0.00 1.68 1.53 0.92 0.49 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 5 V 7.82 4.25 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 0.68 0.00 0.00 0.81 0.00 0.00 6 P 0.00 4.44 0.00 2.18 2.07 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 *8 V 8.12 3.87 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 0.71 0.00 0.00 0.93 0.00 0.00 9 V 8.39 3.50 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 0.86 0.00 0.00 0.88 0.00 0.00 10 E 7.61 4.91 0.00 1.85 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 2.17 2.28 0.00 *19 Y 7.76 4.57 0.00 3.03 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 20 D 8.36 5.51 0.00 2.93 2.83 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 0.00 0.00 0.00 0.00 21 I 7.83 3.55 1.74 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 1.29 0.96 0.22 0.00 0.00 22 Y 7.56 4.27 0.00 3.20 2.87 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 23 S 8.06 4.20 0.00 4.15 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 0.00 24 R 7.87 3.37 0.00 1.74 1.98 0.00 2.82 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 25 L 7.83 3.99 0.00 2.00 1.82 1.12 0.57 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 26 L 8.07 4.39 0.00 1.98 1.91 1.07 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.72 4.12 0.00 1.72 1.78 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 28 D 8.21 4.69 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 29 R 7.95 3.83 0.00 2.03 2.00 0.00 3.03 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 30 V 7.67 4.58 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 0.38 0.00 0.00 0.68 0.00 0.00 31 I 8.76 4.77 1.84 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 1.27 0.68 0.97 0.00 0.00 32 F 8.92 4.75 0.00 2.54 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 33 L 9.15 4.64 0.00 1.72 1.55 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.38 5.44 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 0.88 0.00 0.00 0.95 0.00 0.00 35 G 8.70 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 36 Q 8.46 4.27 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 37 V 8.90 4.02 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 0.97 0.00 0.00 0.95 0.00 0.00 38 E 8.44 5.07 0.00 1.95 1.89 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 2.19 2.61 0.00 39 D 8.90 4.45 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 40 H 8.82 4.11 0.00 3.22 3.60 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 A 8.01 4.31 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 43 N 8.34 4.39 0.00 2.82 2.86 0.00 0.00 7.07 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 44 L 7.81 3.95 0.00 1.68 1.69 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.88 3.99 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 46 I 7.65 3.81 2.02 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 1.48 0.69 0.94 0.00 0.00 47 A 8.12 4.25 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 48 Q 8.10 4.43 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.33 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 *50 L 7.95 4.32 0.00 1.98 1.84 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.60 4.22 0.00 3.14 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 3.56 0.00 1.71 1.61 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.92 3.82 0.00 1.90 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 2.22 2.28 0.00 54 S 7.90 4.17 0.00 3.96 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 55 E 7.76 4.16 0.00 1.74 1.77 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 1.47 1.54 0.00 56 N 7.80 4.63 0.00 2.62 2.55 0.00 0.00 7.08 7.16 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 57 P 0.00 4.03 0.00 2.16 2.08 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 58 N 8.92 4.77 0.00 2.74 2.86 0.00 0.00 6.98 8.27 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 59 K 7.34 4.33 0.00 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0.00 0.00 0.00 0.00 *77 A 7.99 4.24 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 78 I 7.39 3.77 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.94 0.00 0.00 79 Y 8.09 4.19 0.00 2.96 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 80 D 8.28 4.53 0.00 2.78 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 81 T 7.73 4.25 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 1.28 0.00 0.00 *83 Q 8.08 4.17 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.06 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 84 F 8.49 4.40 0.00 2.99 3.26 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 85 V 7.59 3.82 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 0.86 0.00 0.00 0.97 0.00 0.00 86 K 8.55 3.99 0.00 1.76 1.79 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.30 7.81 87 P 0.00 4.43 0.00 1.89 2.19 0.00 3.55 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 88 D 8.75 4.41 0.00 2.85 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 89 V 8.30 4.73 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 1.01 0.00 0.00 0.96 0.00 0.00 90 R 8.86 4.79 0.00 2.00 1.97 0.00 3.42 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 91 T 9.31 5.14 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 1.29 0.00 0.00 92 L 8.81 5.02 0.00 1.70 1.21 0.90 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 93 C 9.01 4.94 0.00 2.98 2.76 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 0.00 0.00 0.00 94 I 8.33 3.50 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 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111 G 9.70 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.28 4.82 0.00 1.79 1.82 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.57 7.81 113 R 7.99 4.97 0.00 1.73 1.71 0.00 3.32 0.00 0.00 3.47 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 114 H 9.58 5.75 0.00 2.65 2.27 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 C 7.90 5.01 0.00 2.99 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 0.00 116 L 8.30 4.88 0.00 1.62 1.62 0.92 1.10 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 0.00 117 P 0.00 4.19 0.00 1.88 2.03 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 118 H 7.91 4.84 0.00 3.10 3.30 0.00 5.91 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.75 4.53 0.00 3.82 3.80 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0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.01 3.75 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.97 0.97 0.00 0.00 138 Q 8.25 4.04 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 139 I 7.49 3.60 1.87 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 1.45 0.74 0.69 0.00 0.00 140 H 8.25 4.05 0.00 2.84 3.18 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.41 3.98 1.37 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 0.00 0.00 142 K 8.16 3.82 0.00 2.01 1.84 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 143 Q 7.77 3.95 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 144 T 8.18 3.90 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 1.22 0.00 0.00 145 Q 7.95 3.94 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 146 R 7.88 3.83 0.00 1.92 2.05 0.00 3.14 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 147 V 7.86 3.71 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 0.93 0.00 0.00 1.00 0.00 0.00 148 S 8.04 4.06 0.00 4.03 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 0.00 149 D 8.28 4.36 0.00 2.89 2.69 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 0.00 0.00 0.00 0.00 150 Q 8.36 3.94 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 151 L 8.03 3.84 0.00 1.71 1.79 0.85 0.55 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 0.00 152 N 8.05 4.32 0.00 2.96 2.83 0.00 0.00 7.04 7.27 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 0.00 153 Q 8.20 3.95 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.66 0.00 154 I 7.77 3.64 1.63 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 1.16 0.89 0.28 0.00 0.00 155 L 8.08 4.06 0.00 1.72 1.79 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.37 3.92 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 0.00 157 K 8.13 3.77 0.00 1.70 2.06 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.43 7.81 158 H 8.05 4.48 0.00 3.27 3.54 0.00 5.69 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 T 7.44 4.70 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 1.46 0.00 0.00 160 G 8.39 3.86 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 0.00 0.00 0.00 161 K 7.38 4.19 0.00 1.65 1.59 0.00 1.34 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.09 0.71 7.81 162 D 8.18 4.58 0.00 2.65 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 0.00 163 I 8.38 3.67 1.85 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 1.62 0.70 0.90 0.00 0.00 164 E 8.12 3.93 0.00 2.03 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 0.00 2.38 2.41 0.00 165 R 7.75 3.85 0.00 1.88 2.08 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 166 V 8.14 3.68 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 0.98 0.00 0.00 1.03 0.00 0.00 167 E 8.21 3.88 0.00 2.07 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 0.00 2.30 2.30 0.00 168 K 8.10 4.01 0.00 1.83 1.75 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.45 7.81 169 D 7.95 4.05 0.00 2.79 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 0.00 0.00 0.00 0.00 170 T 7.65 4.35 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 1.23 0.00 0.00 171 N 7.63 4.20 0.00 2.72 2.87 0.00 0.00 6.87 7.53 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 0.00 172 R 7.44 4.72 0.00 1.81 1.81 0.00 3.30 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 173 D 8.64 4.45 0.00 2.55 2.35 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 0.00 174 Y 8.48 4.70 0.00 2.97 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 0.00 175 F 8.60 4.66 0.00 2.87 2.83 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 0.00 0.00 0.00 0.00 176 L 8.85 4.85 0.00 1.38 1.37 0.58 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 177 T 9.16 4.06 4.21 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 1.21 0.00 0.00 178 P 0.00 4.19 0.00 2.14 2.11 0.00 3.57 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.15 0.00 179 E 8.08 3.95 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 2.39 2.45 0.00 180 E 8.35 3.99 0.00 2.20 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 0.00 2.35 2.33 0.00 181 A 8.24 4.05 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 0.00 182 V 7.94 3.77 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 1.12 0.00 0.00 0.95 0.00 0.00 183 E 8.16 3.96 0.00 2.01 2.27 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 2.38 2.44 0.00 184 Y 8.43 4.15 0.00 3.16 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 0.00 185 G 8.04 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.29 4.09 0.00 1.75 1.75 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.45 4.98 1.91 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 1.33 0.92 0.85 0.00 0.00 188 D 8.50 4.82 0.00 2.43 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 0.00 189 S 7.48 4.57 0.00 3.83 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 0.00 190 I 8.25 4.69 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 0.93 0.00 0.00 191 F 8.26 5.02 0.00 2.91 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 0.00 192 K 9.09 4.06 0.00 1.72 1.86 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.50 7.81 193 E 7.64 4.72 0.00 1.89 1.73 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 2.12 2.24 0.00 194 R 8.39 3.55 0.00 1.70 1.72 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.00 195 P 0.00 4.26 0.00 2.05 1.76 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.02 0.00 * Residues marked with a * may have inaccurate shift predictions.