NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0569 8.0244 114.2681 61.0821 38.8354 175.0736 4 R 4.1256 7.9872 121.2523 54.5638 31.8502 172.3445 5 P 4.3633 0.0000 0.0000 62.5089 33.4412 176.4289 6 L 4.4435 8.1975 125.5496 54.2820 41.3393 172.5399 7 H 4.2404 8.3095 121.9696 56.0372 30.4542 175.6398 8 D 4.5072 9.4022 123.6243 55.8777 41.7825 173.7883 9 R 4.4213 7.5338 116.6147 56.6856 31.3664 176.0582 10 V 4.6130 9.1395 121.6609 61.2585 35.7141 173.8508 11 I 4.9807 8.7914 127.3460 59.6873 39.8270 175.1334 12 V 5.0362 8.7898 119.4074 59.3458 36.4488 174.5819 13 K 4.6206 8.6491 122.1802 55.9559 34.3388 176.3090 14 R 4.5282 8.5310 123.0547 56.5232 31.2301 175.9486 15 K 4.5765 8.5268 124.1294 54.7779 34.4642 176.2891 16 E 4.0884 8.6760 119.7871 56.9220 29.8921 176.8671 17 V 4.0276 8.1844 120.8118 63.5409 32.4561 176.2185 18 E 3.5389 8.8848 120.3166 57.0506 26.5341 172.4702 19 T 3.8519 7.9731 117.1366 63.8075 68.8254 175.6507 20 K 4.3218 8.7297 129.3931 55.6401 31.9924 179.0217 21 S 4.8868 8.1549 107.8495 57.7882 64.9719 173.1980 22 A 3.9863 7.4957 123.6811 53.9027 18.5677 176.6097 23 G 4.2911 8.8762 110.9926 44.0565 0.0000 175.2346 24 G 4.4038 7.0277 108.5381 45.9564 0.0000 173.6377 25 I 3.9298 8.5846 122.5561 63.3871 38.5455 177.1111 26 V 3.6143 7.6363 120.6677 62.8709 31.6987 175.3088 27 L 4.9238 8.1713 129.1655 53.8225 39.8202 175.7874 28 T 4.1508 7.9002 117.8909 61.4977 69.4764 174.5446 29 G 4.5105 7.9738 120.3791 44.8704 0.0000 176.9363 30 S 4.6998 8.5753 117.8461 57.3641 66.8034 174.4666 31 A 4.4629 9.0899 126.6202 50.9257 19.3404 175.9725 32 A 3.7044 8.0446 116.8933 53.8980 16.8423 178.1444 33 A 4.6327 8.0547 124.1036 54.3291 21.7537 175.7743 34 K 4.5844 8.5977 114.8239 56.6283 36.9823 178.1583 35 S 4.7053 6.0697 106.7964 57.8629 66.6151 176.0867 36 T 3.4445 8.3205 117.2021 62.5793 70.1148 173.9694 37 R 4.8794 7.6791 122.5975 55.0209 32.1777 175.6879 38 G 4.5106 9.0806 110.1514 45.4930 0.0000 170.1544 39 E 5.1699 8.8204 120.7798 54.7590 33.4204 175.7090 40 V 3.8786 8.9760 128.7056 63.4326 32.0279 176.3410 41 L 4.3552 8.6656 127.3861 56.7433 43.1169 177.2825 42 A 4.5302 8.1875 120.0055 50.7847 22.8907 175.7723 43 V 4.1824 8.4563 123.2857 61.9363 32.9170 176.2539 44 G 3.9954 8.3371 114.1810 44.5518 0.0000 172.4053 45 N 4.6701 8.0576 116.4986 52.8827 37.1038 177.2572 46 G 4.0200 9.2295 108.9902 45.8672 0.0000 174.7874 47 R 4.6840 8.1771 126.1313 55.4209 32.0551 176.1198 48 I 4.1253 8.0244 131.8019 60.0986 36.1843 174.4190 49 L 4.7586 6.7822 120.9991 54.0238 46.2906 178.3368 50 E 3.8411 9.2476 116.9304 56.3588 27.8324 175.4326 51 N 4.5966 8.2933 116.0202 53.5125 39.6864 175.0146 52 G 3.7773 7.6326 107.3762 44.4733 0.0000 172.5561 53 E 3.9852 7.9790 122.2071 56.2321 29.3536 175.6676 54 V 4.2681 7.9076 121.3978 61.6835 29.4229 175.6172 55 K 4.3330 8.0124 124.3860 55.6663 34.4293 175.5374 56 P 4.9134 0.0000 0.0000 62.6840 32.4711 175.0350 57 L 4.7665 8.2443 118.4625 53.2899 43.6031 176.8577 58 D 4.6375 9.1896 120.2253 54.7774 41.2947 176.7007 59 V 4.3524 7.0081 111.1468 60.5165 33.6377 175.1173 60 K 4.6640 8.7381 119.6714 54.6846 35.6654 175.9843 61 V 3.7967 8.1850 120.1959 64.4286 31.7112 176.4150 62 G 3.9999 8.7431 116.1158 44.8560 0.0000 173.2223 63 D 4.4283 7.8672 120.5172 53.8792 41.7821 177.1315 64 I 4.5215 7.7698 125.4200 59.9967 35.5225 176.6884 65 V 3.9702 7.7123 116.0795 62.0134 33.5642 176.8987 66 I 4.8599 8.9367 125.3503 59.9960 38.7430 174.9514 67 F 5.3865 8.4409 121.6023 54.6817 41.7807 173.8321 68 N 4.4794 9.1749 119.0959 52.6688 39.8595 175.2857 69 D 4.7040 8.4800 127.7975 54.7047 41.1269 174.6821 70 G 4.3918 7.6361 106.2448 42.2372 0.0000 173.1962 71 Y 4.0833 8.7624 119.6317 59.9060 38.8062 177.5453 72 G 3.5996 8.1217 107.7645 48.3084 0.0000 173.9391 73 V 3.8685 7.9056 121.0436 62.7341 31.8453 175.8565 74 K 4.5970 9.0013 127.8291 54.7232 34.9027 175.1759 75 S 5.2169 8.4496 117.1627 56.9417 64.7392 172.8532 76 E 4.7180 9.1133 123.8417 54.8402 34.5506 174.3212 77 K 4.8472 8.6431 123.4219 55.1714 33.4878 175.6286 78 I 4.2089 8.6156 130.2757 60.3429 37.9859 176.6480 79 D 4.3820 9.6652 123.4886 54.3102 38.8940 173.7256 80 N 4.3376 8.2054 113.6597 53.0780 36.5772 174.3320 81 E 4.2269 8.5446 120.4766 55.5731 30.4950 174.9730 82 E 4.6965 8.4776 123.5750 56.1900 30.4388 176.4928 83 V 4.6465 8.9976 117.0097 59.5692 36.2278 174.4699 84 L 5.0620 8.6834 123.2067 53.2408 44.4045 175.6321 85 I 5.0861 8.5269 122.8931 59.9249 41.3200 174.5564 86 M 4.7698 8.5869 122.5652 54.8132 35.2556 173.7149 87 S 5.2536 9.2179 115.3398 56.3382 64.8610 175.7083 88 E 3.9573 9.0106 121.9269 59.4692 29.5105 179.2093 89 S 4.1780 8.3093 113.8148 61.2254 63.0744 174.7897 90 D 4.6712 8.1265 118.7666 54.8907 41.3143 176.1903 91 I 4.4178 7.4111 121.1500 60.8231 37.9115 175.3358 92 L 4.3631 8.8243 125.3223 56.0642 42.9080 176.3164 93 A 4.5303 7.0923 118.1285 51.9897 22.4571 174.5155 94 I 4.5411 7.9409 124.3817 61.5301 38.1945 177.1837 *95 V 3.9215 8.4776 124.1247 62.1053 32.1549 172.9403 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 3 I 8.02 4.06 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 1.28 1.11 0.89 0.00 0.00 4 R 7.99 4.13 0.00 1.80 1.81 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 5 P 0.00 4.36 0.00 2.35 1.91 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 6 L 8.20 4.44 0.00 1.57 1.55 0.96 1.04 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 7 H 8.31 4.24 0.00 3.47 3.48 0.00 5.93 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.40 4.51 0.00 2.89 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 9 R 7.53 4.42 0.00 1.73 1.79 0.00 3.22 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.52 0.00 10 V 9.14 4.61 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 0.94 0.00 0.00 0.96 0.00 0.00 11 I 8.79 4.98 1.83 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 1.17 0.50 0.86 0.00 0.00 12 V 8.79 5.04 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 0.66 0.00 0.00 0.61 0.00 0.00 13 K 8.65 4.62 0.00 1.83 1.91 0.00 1.30 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.39 7.81 14 R 8.53 4.53 0.00 1.91 1.92 0.00 3.34 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 15 K 8.53 4.58 0.00 1.77 1.78 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.46 7.81 16 E 8.68 4.09 0.00 1.96 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 2.32 2.25 0.00 17 V 8.18 4.03 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 0.87 0.00 0.00 0.95 0.00 0.00 18 E 8.88 3.54 0.00 2.04 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 2.26 2.38 0.00 19 T 7.97 3.85 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 20 K 8.73 4.32 0.00 1.86 1.81 0.00 1.98 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.68 7.81 21 S 8.15 4.89 0.00 3.93 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 0.00 22 A 7.50 3.99 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 23 G 8.88 4.29 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 0.00 24 G 7.03 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 25 I 8.58 3.93 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 1.30 0.59 0.91 0.00 0.00 26 V 7.64 3.61 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 0.97 0.00 0.00 0.93 0.00 0.00 27 L 8.17 4.92 0.00 1.64 1.59 0.92 1.04 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 28 T 7.90 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 1.23 0.00 0.00 29 G 7.97 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.70 0.00 3.82 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 31 A 9.09 4.46 1.22 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 0.00 0.00 0.00 32 A 8.04 3.70 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 33 A 8.05 4.63 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 34 K 8.60 4.58 0.00 1.85 1.63 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.51 7.81 35 S 6.07 4.71 0.00 3.86 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 36 T 8.32 3.44 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 1.04 0.00 0.00 37 R 7.68 4.88 0.00 1.79 1.88 0.00 2.99 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 38 G 9.08 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 5.17 0.00 2.04 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 2.21 2.27 0.00 40 V 8.98 3.88 2.19 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 0.89 0.00 0.00 0.98 0.00 0.00 41 L 8.67 4.36 0.00 1.67 1.68 0.87 0.76 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 42 A 8.19 4.53 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 0.00 0.00 43 V 8.46 4.18 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 0.79 0.00 0.00 0.92 0.00 0.00 44 G 8.34 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 45 N 8.06 4.67 0.00 2.61 2.84 0.00 0.00 7.10 7.51 0.00 0.00 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 G 9.23 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 47 R 8.18 4.68 0.00 1.74 1.81 0.00 3.38 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 48 I 8.02 4.13 1.67 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.14 0.85 0.00 0.00 49 L 6.78 4.76 0.00 1.65 1.51 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.25 3.84 0.00 2.13 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 0.00 2.20 2.29 0.00 51 N 8.29 4.60 0.00 2.86 3.04 0.00 0.00 7.08 7.46 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 52 G 7.63 3.78 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 0.00 0.00 0.00 53 E 7.98 3.99 0.00 2.12 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 2.19 2.33 0.00 54 V 7.91 4.27 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 0.77 0.00 0.00 0.89 0.00 0.00 55 K 8.01 4.33 0.00 1.87 1.93 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.45 7.81 56 P 0.00 4.91 0.00 2.10 2.13 0.00 3.73 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 1.98 2.00 0.00 57 L 8.24 4.77 0.00 1.71 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.19 4.64 0.00 2.61 2.67 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 0.00 59 V 7.01 4.35 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 0.78 0.00 0.00 0.93 0.00 0.00 60 K 8.74 4.66 0.00 1.84 1.84 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.50 7.81 61 V 8.18 3.80 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 0.86 0.00 0.00 0.92 0.00 0.00 62 G 8.74 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 63 D 7.87 4.43 0.00 2.75 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 64 I 7.77 4.52 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 1.37 1.15 1.02 0.00 0.00 65 V 7.71 3.97 2.19 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 0.79 0.00 0.00 1.03 0.00 0.00 66 I 8.94 4.86 1.97 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 1.25 0.62 0.82 0.00 0.00 67 F 8.44 5.39 0.00 3.07 2.99 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 0.00 68 N 9.17 4.48 0.00 2.84 2.81 0.00 0.00 7.24 9.28 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 69 D 8.48 4.70 0.00 2.59 2.61 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 70 G 7.64 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 0.00 0.00 0.00 0.00 71 Y 8.76 4.08 0.00 2.94 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 72 G 8.12 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 3.87 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 0.71 0.00 0.00 1.11 0.00 0.00 74 K 9.00 4.60 0.00 1.58 1.58 0.00 1.48 0.00 0.00 1.28 0.00 0.00 2.44 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.21 1.37 7.81 75 S 8.45 5.22 0.00 3.83 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 76 E 9.11 4.72 0.00 1.82 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 2.18 2.36 0.00 77 K 8.64 4.85 0.00 1.71 1.71 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.49 7.81 78 I 8.62 4.21 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 1.28 0.48 0.90 0.00 0.00 79 D 9.67 4.38 0.00 2.82 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 80 N 8.21 4.34 0.00 2.77 3.19 0.00 0.00 6.96 7.66 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 81 E 8.54 4.23 0.00 2.03 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 2.30 2.32 0.00 82 E 8.48 4.70 0.00 1.89 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 2.30 2.29 0.00 83 V 9.00 4.65 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 0.73 0.00 0.00 0.89 0.00 0.00 84 L 8.68 5.06 0.00 1.40 1.24 0.90 0.91 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 85 I 8.53 5.09 1.79 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 1.21 0.77 0.88 0.00 0.00 86 M 8.59 4.77 0.00 1.89 2.22 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 87 S 9.22 5.25 0.00 3.83 3.95 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 88 E 9.01 3.96 0.00 2.02 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 0.00 2.32 2.30 0.00 89 S 8.31 4.18 0.00 3.91 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 90 D 8.13 4.67 0.00 2.86 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 91 I 7.41 4.42 1.91 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 1.36 0.67 0.97 0.00 0.00 92 L 8.82 4.36 0.00 1.70 1.71 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.09 4.53 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 94 I 7.94 4.54 1.88 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 1.30 0.73 0.92 0.00 0.00 *95 V 8.48 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.