NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2391 8.3344 116.7949 60.9296 64.2852 173.2222 3 T 3.2227 8.3709 105.3275 62.9124 64.7148 171.1338 4 K 4.0697 7.8659 125.2433 55.4969 34.2994 175.6520 5 K 4.0996 8.3554 125.4840 55.5066 32.7689 176.6892 6 K 3.9034 8.6432 127.1651 56.1691 32.5649 174.4587 7 P 4.3817 0.0000 0.0000 62.1312 31.8624 176.2871 8 L 4.2663 8.2377 122.5146 54.4657 42.6001 177.3318 9 T 4.2177 9.0711 111.0431 61.3729 70.7528 175.2332 10 Q 3.9763 8.6520 122.7055 59.6489 28.9427 178.5796 11 E 3.9818 8.1312 119.5901 59.4217 29.6830 178.6545 12 Q 4.1041 8.0908 118.1616 58.9564 28.7677 178.7509 13 L 4.0293 8.4981 120.4434 57.6377 41.5844 179.4520 14 E 3.9906 8.6150 119.1123 59.3921 29.3819 178.6848 15 D 5.2231 8.7927 120.5616 56.9890 40.9369 179.1334 16 A 4.1767 8.3312 120.9810 55.2666 18.3621 179.8878 17 R 3.9017 8.1879 116.5670 59.4699 30.0869 179.4853 18 R 3.9532 8.2400 117.9315 59.0131 29.9752 178.7287 19 L 3.6268 8.1595 120.2081 57.9786 42.1197 178.8906 20 K 3.3260 8.3154 119.5015 59.3730 32.1619 178.3791 21 A 3.9696 8.0316 120.9379 55.2944 18.3462 179.6134 22 I 3.6009 7.8912 118.2367 64.5753 37.0603 177.8947 23 Y 3.9543 7.8294 120.3603 60.8476 38.3171 178.0618 24 E 3.5904 8.2391 118.1723 59.3644 29.6106 179.3682 25 K 4.0709 7.8684 117.4247 58.2528 32.3676 178.4878 26 K 4.4373 7.6316 116.2387 55.7300 33.3987 178.1171 27 K 3.6834 7.5976 120.1639 60.0492 31.9083 178.6725 28 N 4.2440 7.8576 116.1731 56.0840 38.6977 176.3091 29 E 4.0820 7.9851 116.3624 58.9367 29.9762 177.8036 30 L 4.1228 8.0766 118.2314 54.7241 42.2416 176.4892 31 G 3.7942 7.8616 106.4387 46.7597 0.0000 173.4458 32 L 4.8321 7.7905 117.2572 52.8325 44.5920 176.8311 33 S 5.1885 8.6168 116.4824 54.8985 67.4026 175.0391 34 Q 3.9345 8.8747 121.3784 59.3060 28.4361 179.1344 35 E 3.9140 8.1726 119.8844 59.3630 29.5805 178.9073 36 S 4.2201 8.2212 113.4472 61.0551 63.6148 176.2291 37 V 3.7197 8.0452 121.8247 65.8094 31.0545 177.7529 38 A 3.9014 7.6564 119.1511 55.3340 18.3053 178.7193 39 D 4.4541 7.7913 115.0610 57.1481 41.4054 178.4276 40 K 4.3806 7.6823 118.5780 56.1268 32.6777 177.4261 *42 G 3.6226 8.1477 104.8036 45.3378 0.0000 174.1204 *44 G 3.7144 7.7609 104.9284 43.8230 0.0000 173.2927 45 Q 3.9442 8.3135 120.4213 59.1118 29.0697 178.3909 46 S 4.2193 8.0350 114.8747 60.9836 62.9545 176.6123 47 G 3.4883 7.8895 109.2857 47.6724 0.0000 175.8238 48 V 3.4693 7.6723 120.8814 65.3645 31.4766 178.3662 49 G 3.5311 8.1336 105.5087 47.6961 0.0000 175.5119 50 A 4.0415 8.0581 123.0005 54.7928 18.1076 179.8012 51 L 4.0772 7.2712 116.3532 57.9802 41.5220 179.6131 52 F 4.6640 7.7679 116.7681 59.8860 38.7969 176.4884 53 N 4.9363 8.0847 113.9247 52.2573 38.7035 175.0927 54 G 3.9490 7.5914 106.2725 46.9620 0.0000 175.4909 55 I 4.1637 8.1828 122.2023 61.8422 38.2675 176.2624 56 N 4.9773 7.7315 115.3154 50.8290 40.8668 174.3609 57 A 4.2099 8.3167 124.7356 51.9065 19.2454 177.5478 58 L 4.2629 8.3498 121.4874 54.5094 42.6970 176.6642 59 N 5.0667 8.3271 118.6041 50.7106 41.4710 175.5822 60 A 4.0380 8.4068 121.4449 55.3023 18.3911 179.0538 61 Y 4.0033 8.0386 117.5021 61.1867 39.0221 178.0748 62 N 4.3304 9.6015 117.8445 56.1136 38.4950 177.3123 63 A 4.2395 8.3113 122.1951 55.1989 18.4018 179.5820 64 A 3.9555 8.0175 119.2820 55.0410 18.4565 179.6123 65 L 3.7593 7.7850 118.9751 58.2217 42.0279 179.3135 66 L 4.0005 8.0330 118.7674 57.5406 41.5632 179.1496 67 A 4.1916 8.4828 121.0361 55.3272 18.1488 179.8232 68 K 3.9428 8.0790 115.7637 59.6971 32.1835 179.3915 69 I 3.8936 7.6823 118.9844 64.2013 37.1990 177.8894 70 L 4.2557 8.1840 117.2098 54.1673 42.2706 176.5842 71 K 3.8769 8.0445 117.2774 57.6276 29.5816 175.2607 72 V 4.5820 7.4706 109.1237 59.4669 36.2197 175.5462 73 S 4.4579 8.9479 115.7141 57.5798 63.2152 175.2868 74 V 3.0384 8.2088 124.1334 65.8750 29.8879 178.1203 75 E 3.8867 7.9110 117.7573 58.9694 29.0039 178.5598 76 E 4.2837 7.9745 117.4054 57.7039 29.9244 177.3355 77 F 4.7819 7.2936 109.9715 57.0858 40.2276 174.0309 78 S 4.6265 7.1950 114.9141 53.3929 63.1788 172.0121 79 P 4.2092 0.0000 0.0000 65.3473 31.1643 178.5183 80 S 4.1278 7.9325 112.6450 61.5379 63.0530 176.4929 81 I 3.7536 7.7815 123.0474 63.8102 36.7510 178.3167 82 A 3.9196 7.8261 121.9626 55.0525 18.2087 179.6604 83 R 3.9016 8.1937 117.4254 59.3638 29.9129 178.3328 84 E 3.9455 8.0077 118.2244 59.5239 29.7786 178.5007 85 I 3.8767 7.7818 118.5702 64.5624 37.5247 177.5314 86 Y 4.3579 8.0879 120.4224 60.4806 37.9849 178.1782 87 E 4.4027 8.5703 119.5196 56.5469 29.8152 177.6261 *89 Y 4.6415 7.8932 120.3553 57.0263 40.6604 176.7841 90 E 3.1173 7.6178 118.4920 58.9492 29.5459 178.2786 91 A 4.1732 7.0395 115.7368 53.0865 18.4791 178.0403 92 V 3.9360 7.1918 108.6806 61.4104 32.3499 175.9535 93 H 4.3141 7.3550 117.9261 55.5215 28.2477 174.9761 94 H 4.5295 8.4908 122.1919 55.7388 29.5728 174.8135 95 H 4.9712 8.2016 118.8773 54.3450 31.9427 172.0782 96 H 4.4793 8.7022 120.4277 56.4308 30.5416 175.5693 97 H 4.4485 9.0503 115.4009 55.8535 28.3776 175.1733 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 S 8.33 4.24 0.00 3.88 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 3 T 8.37 3.22 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 1.21 0.00 0.00 4 K 7.87 4.07 0.00 1.73 1.70 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.49 7.81 5 K 8.36 4.10 0.00 1.76 1.70 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.42 7.81 6 K 8.64 3.90 0.00 1.75 1.72 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.48 7.81 7 P 0.00 4.38 0.00 2.09 1.97 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 L 8.24 4.27 0.00 1.65 1.82 0.98 0.93 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 9 T 9.07 4.22 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 1.25 0.00 0.00 10 Q 8.65 3.98 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 11 E 8.13 3.98 0.00 2.09 1.94 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 2.40 2.41 0.00 12 Q 8.09 4.10 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 13 L 8.50 4.03 0.00 1.83 1.74 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.61 3.99 0.00 2.13 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 2.35 2.63 0.00 15 D 8.79 5.22 0.00 3.04 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 16 A 8.33 4.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.90 0.00 2.05 2.01 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 18 R 8.24 3.95 0.00 2.15 2.11 0.00 3.19 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 19 L 8.16 3.63 0.00 1.61 1.86 0.15 0.63 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 20 K 8.32 3.33 0.00 2.06 1.73 0.00 1.85 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.21 7.81 21 A 8.03 3.97 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 22 I 7.89 3.60 1.93 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 1.74 1.28 0.92 0.00 0.00 23 Y 7.83 3.95 0.00 2.48 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.24 3.59 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 2.45 2.46 0.00 25 K 7.87 4.07 0.00 1.83 1.81 0.00 1.35 0.00 0.00 2.14 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 26 K 7.63 4.44 0.00 1.79 1.74 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.46 7.81 27 K 7.60 3.68 0.00 1.75 1.20 0.00 0.61 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.26 7.81 28 N 7.86 4.24 0.00 2.64 2.87 0.00 0.00 6.91 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 29 E 7.99 4.08 0.00 2.05 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 2.31 2.35 0.00 30 L 8.08 4.12 0.00 1.72 1.77 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.86 3.79 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 32 L 7.79 4.83 0.00 1.76 1.80 1.03 0.94 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 33 S 8.62 5.19 0.00 4.06 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 34 Q 8.87 3.93 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 35 E 8.17 3.91 0.00 2.04 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 2.38 2.37 0.00 36 S 8.22 4.22 0.00 4.07 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 37 V 8.05 3.72 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 0.96 0.00 0.00 1.15 0.00 0.00 38 A 7.66 3.90 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 39 D 7.79 4.45 0.00 2.70 2.89 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 0.00 0.00 0.00 40 K 7.68 4.38 0.00 1.94 1.82 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.64 7.81 *42 G 8.15 3.62 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 0.00 0.00 0.00 *44 G 7.76 3.71 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 0.00 0.00 0.00 45 Q 8.31 3.94 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 46 S 8.03 4.22 0.00 4.06 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 47 G 7.89 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.67 3.47 1.94 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 0.16 0.00 0.00 0.70 0.00 0.00 49 G 8.13 3.53 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 0.00 0.00 0.00 50 A 8.06 4.04 1.33 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 0.00 0.00 51 L 7.27 4.08 0.00 1.59 1.58 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.77 4.66 0.00 3.04 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 53 N 8.08 4.94 0.00 2.84 2.85 0.00 0.00 7.02 6.96 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 54 G 7.59 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 0.00 0.00 0.00 55 I 8.18 4.16 1.97 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 1.31 0.92 0.91 0.00 0.00 56 N 7.73 4.98 0.00 2.65 2.68 0.00 0.00 6.86 7.35 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 57 A 8.32 4.21 1.25 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 0.00 0.00 58 L 8.35 4.26 0.00 1.73 1.71 1.10 1.02 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 59 N 8.33 5.07 0.00 3.01 2.96 0.00 0.00 6.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.41 4.04 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 61 Y 8.04 4.00 0.00 3.03 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 62 N 9.60 4.33 0.00 2.90 2.85 0.00 0.00 7.00 5.97 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 63 A 8.31 4.24 1.54 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 0.00 0.00 64 A 8.02 3.96 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 65 L 7.78 3.76 0.00 1.85 1.56 0.61 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.03 4.00 0.00 1.98 1.60 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.48 4.19 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 0.00 0.00 0.00 0.00 0.00 68 K 8.08 3.94 0.00 1.85 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.71 7.81 69 I 7.68 3.89 2.03 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 1.82 0.69 0.96 0.00 0.00 70 L 8.18 4.26 0.00 1.75 1.75 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.04 3.88 0.00 1.95 1.93 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 72 V 7.47 4.58 2.33 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 0.78 0.00 0.00 1.12 0.00 0.00 73 S 8.95 4.46 0.00 3.83 3.69 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 74 V 8.21 3.04 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 0.65 0.00 0.00 0.88 0.00 0.00 75 E 7.91 3.89 0.00 2.01 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 2.24 2.26 0.00 76 E 7.97 4.28 0.00 2.17 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 0.00 2.36 2.32 0.00 77 F 7.29 4.78 0.00 3.32 3.21 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 78 S 7.19 4.63 0.00 3.90 3.50 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 79 P 0.00 4.21 0.00 2.16 2.04 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 80 S 7.93 4.13 0.00 4.05 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 81 I 7.78 3.75 1.82 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 1.48 0.59 0.92 0.00 0.00 82 A 7.83 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.90 0.00 1.93 2.08 0.00 3.22 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 84 E 8.01 3.95 0.00 2.10 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 0.00 2.36 2.38 0.00 85 I 7.78 3.88 2.04 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 1.45 0.80 0.95 0.00 0.00 86 Y 8.09 4.36 0.00 3.05 3.16 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 0.00 0.00 0.00 0.00 87 E 8.57 4.40 0.00 2.33 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 2.33 2.36 0.00 *89 Y 7.89 4.64 0.00 3.04 3.11 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 90 E 7.62 3.12 0.00 2.02 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 2.03 1.58 0.00 91 A 7.04 4.17 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 92 V 7.19 3.94 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 0.68 0.00 0.00 0.82 0.00 0.00 93 H 7.36 4.31 0.00 3.06 2.86 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.49 4.53 0.00 3.12 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.20 4.97 0.00 3.10 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 H 8.70 4.48 0.00 3.16 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 9.05 4.45 0.00 3.33 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.