NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3706 8.1233 123.5927 52.2678 20.9338 179.1025 5 F 4.2856 8.1400 114.5421 60.2957 38.8192 176.2106 6 K 4.1637 8.4623 118.0641 59.1812 32.3747 178.7393 7 L 4.0164 7.9310 120.3594 57.9888 42.1334 178.5809 8 L 4.1110 8.3573 120.4449 58.4061 42.0743 178.3109 9 Y 4.1494 8.4504 119.4337 60.7211 38.6900 178.0749 10 K 3.9518 8.5173 119.5761 59.9137 32.0589 179.4300 11 T 3.9123 8.1126 115.8704 66.7786 68.1371 176.8362 12 I 3.8550 7.6968 120.7892 64.3370 37.2472 178.0619 13 E 3.9474 8.0859 119.6546 59.3794 29.2465 179.2373 14 E 4.0080 8.4173 118.7007 59.3383 29.2351 179.5437 15 R 4.1073 7.6679 117.5971 58.6993 30.2320 178.5218 16 K 3.8183 7.7048 119.0411 58.6271 32.0919 178.4292 17 G 3.9416 7.8717 104.5399 45.0579 0.0000 173.7342 18 S 4.6659 7.5863 117.5742 55.2449 62.7987 170.8523 19 P 4.9301 0.0000 0.0000 61.9632 32.1113 177.2668 20 L 4.6436 8.2477 121.0551 51.9719 42.9583 174.9161 21 P 4.4610 0.0000 0.0000 65.5359 31.5084 178.1349 22 E 4.1516 8.1694 116.5800 58.6159 29.9628 178.0143 23 S 4.5290 8.5281 114.8426 57.9605 65.3419 174.6910 24 Y 4.3161 8.6263 124.5074 61.2240 38.7052 178.4134 25 T 3.6101 8.0254 116.3061 66.7363 68.7789 176.2530 26 N 4.6179 8.2222 117.9857 56.2584 38.5495 176.8891 27 Y 4.1315 7.9429 121.1795 60.6003 38.7758 178.2074 28 L 3.5834 7.6582 119.8730 57.7229 41.4556 179.4978 29 F 4.4023 7.5688 116.6880 60.4936 38.8602 177.6279 30 S 4.2757 8.1463 113.4631 61.5064 62.9974 176.5349 31 K 3.9943 7.6584 121.0371 57.0544 32.2712 177.9356 32 G 3.8142 8.2597 107.4361 44.5258 0.0000 173.1536 33 E 3.8616 8.8473 117.7965 59.9188 29.4496 179.1083 34 D 4.3524 8.0975 117.9330 57.1046 40.8629 178.7075 35 K 3.9521 7.8810 119.8102 59.4758 32.2518 179.0187 36 I 3.6959 7.6140 119.6006 64.4304 37.0991 178.2471 37 L 4.0393 8.1142 119.8666 57.7211 41.4167 179.7540 38 K 4.0064 7.9963 118.0555 59.3937 31.9394 179.5424 39 K 3.9891 8.0604 118.7457 59.4945 31.9257 179.4763 40 I 3.8570 7.9881 120.2547 64.2691 37.0632 178.7906 41 G 3.5798 8.1511 106.6494 47.6509 0.0000 175.4123 42 E 3.9329 8.2935 121.9136 59.1750 29.7283 178.8233 43 E 3.9950 8.5870 119.0532 59.4274 29.5672 178.8987 44 C 4.1058 8.3421 118.6803 62.4025 31.5699 175.5190 45 A 4.0161 7.9843 122.2778 55.2525 17.9049 179.4718 46 E 3.8946 8.2054 117.1163 59.4251 29.3934 179.8296 47 V 3.5547 7.7779 118.4745 65.8176 31.5961 178.1783 48 I 3.6784 7.6490 119.2919 64.4810 37.1401 178.4245 49 I 3.6775 7.9291 120.4068 64.3982 37.0636 178.3867 50 A 3.9910 8.1736 121.6726 55.2836 18.1800 179.2437 51 C 4.0749 8.2974 117.3256 62.6221 31.4498 175.9870 52 K 4.1123 7.9757 118.7763 58.8624 31.7196 178.3069 53 N 4.5545 7.8076 114.4866 52.9830 38.7235 175.0134 54 N 4.1370 7.6616 116.5307 54.4206 36.8215 174.8270 55 D 4.6179 7.6535 119.0699 52.7649 40.8465 176.2866 56 K 3.9483 8.3251 126.7095 59.3085 32.2874 178.6445 57 E 3.9322 8.1276 118.2849 59.5129 29.3467 178.9697 58 E 3.9224 8.2029 119.2841 59.0775 29.4431 178.9203 59 V 3.5276 7.5803 117.6568 65.9161 31.6300 177.9459 60 V 3.6639 7.5067 116.8740 65.8456 31.6914 177.8651 61 K 4.1155 7.9469 118.1948 59.3757 31.8588 180.1257 62 E 3.8812 8.2262 117.7390 56.7465 29.3839 179.1094 *64 V 3.7300 7.8379 121.0745 62.8538 33.7089 176.9312 65 D 4.4074 7.9455 119.0211 57.2078 41.0011 178.3567 66 V 3.6826 7.9094 118.8870 66.1034 31.5630 178.0307 67 F 4.3734 7.9898 117.0824 60.6660 38.7700 176.7899 68 Y 4.0512 8.5560 119.5590 61.2504 38.6497 178.0687 69 H 3.9752 8.4806 116.9484 58.8109 28.6976 177.6932 70 C 4.2842 8.3575 118.8796 62.8464 27.9857 176.1054 71 F 4.5959 8.5184 119.5822 60.5418 38.4212 177.9176 72 V 3.4975 7.8479 118.0957 65.8221 31.1737 177.8197 73 L 3.9772 8.1116 120.1150 58.0178 41.8974 178.8917 74 L 4.0144 8.2285 118.7467 57.8912 41.7991 179.2136 75 A 4.0270 8.1945 120.5610 55.3553 18.0819 179.2918 76 E 3.9842 8.5220 116.7397 59.0568 29.8627 178.2727 77 K 4.2757 8.1635 115.4530 55.3040 33.0135 176.1440 78 N 4.1505 7.7949 115.3523 54.5578 36.3555 174.6348 79 I 4.3265 7.9907 118.2841 59.0765 39.2734 176.4311 80 A 4.1293 8.3661 128.7494 51.7500 19.2826 177.8344 81 L 3.3264 7.9878 123.5149 57.8528 41.7599 179.3844 82 E 3.9013 7.8237 116.1047 59.2758 29.7366 178.4415 83 D 4.4655 7.7857 119.7264 57.0410 40.7113 178.9836 84 V 3.8141 7.2317 116.4704 63.5006 31.1203 177.7789 *86 R 4.1858 8.1445 118.6209 55.7304 31.9403 177.5218 87 E 3.8695 7.9037 117.4941 59.2370 29.4741 179.0291 88 V 3.5152 7.9540 118.4332 65.9125 31.5799 178.2276 89 K 3.9512 7.8941 117.7886 59.3059 31.9558 178.7881 90 E 3.8942 8.4589 119.9859 59.3250 29.5206 178.8488 91 R 3.8790 8.2512 119.0326 59.2943 29.8554 177.9959 92 N 4.3724 8.0798 116.3161 56.5766 39.0580 176.7480 93 G 3.7589 7.9518 105.8883 47.7777 0.0000 175.2580 94 K 4.0689 7.7624 119.9408 59.2148 32.1966 177.5724 95 L 4.2978 7.5610 121.8738 55.0100 41.7044 176.8038 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 A 8.12 4.37 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 5 F 8.14 4.29 0.00 3.33 3.36 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 6 K 8.46 4.16 0.00 1.89 1.93 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.59 7.81 7 L 7.93 4.02 0.00 1.83 1.73 0.97 0.59 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 8 L 8.36 4.11 0.00 2.08 2.25 1.15 0.86 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 9 Y 8.45 4.15 0.00 2.90 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 10 K 8.52 3.95 0.00 2.07 1.90 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.86 7.81 11 T 8.11 3.91 4.48 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 1.28 0.00 0.00 12 I 7.70 3.85 1.98 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 1.61 0.76 0.96 0.00 0.00 13 E 8.09 3.95 0.00 2.05 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 1.55 2.05 0.00 14 E 8.42 4.01 0.00 2.19 2.01 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 2.33 2.54 0.00 15 R 7.67 4.11 0.00 2.10 2.17 0.00 3.41 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 16 K 7.70 3.82 0.00 1.04 1.68 0.00 1.06 0.00 0.00 1.35 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.01 0.32 7.81 17 G 7.87 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 18 S 7.59 4.67 0.00 3.97 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 19 P 0.00 4.93 0.00 2.21 2.08 0.00 3.33 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 20 L 8.25 4.64 0.00 1.73 1.91 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.46 0.00 2.07 2.21 0.00 3.71 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 2.07 2.19 0.00 22 E 8.17 4.15 0.00 1.97 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 0.00 2.33 2.38 0.00 23 S 8.53 4.53 0.00 4.09 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 24 Y 8.63 4.32 0.00 3.04 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 25 T 8.03 3.61 4.32 0.00 0.00 0.00 0.00 0.00 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 26 N 8.22 4.62 0.00 3.00 2.97 0.00 0.00 6.69 6.79 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 27 Y 7.94 4.13 0.00 3.12 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 28 L 7.66 3.58 0.00 1.33 1.27 0.48 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.57 4.40 0.00 3.14 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 30 S 8.15 4.28 0.00 4.00 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 31 K 7.66 3.99 0.00 1.40 1.71 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.86 0.89 7.81 32 G 8.26 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.85 3.86 0.00 2.05 2.00 0.00 0.00 0.00 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 2.46 0.00 34 D 8.10 4.35 0.00 2.71 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 35 K 7.88 3.95 0.00 1.78 1.83 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.25 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.23 1.50 7.81 36 I 7.61 3.70 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.90 0.00 0.00 37 L 8.11 4.04 0.00 1.69 1.73 0.93 0.63 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 38 K 8.00 4.01 0.00 2.04 1.88 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 39 K 8.06 3.99 0.00 1.94 1.59 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.68 1.77 7.81 40 I 7.99 3.86 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 0.96 0.00 0.00 41 G 8.15 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 3.93 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 2.31 2.36 0.00 43 E 8.59 3.99 0.00 2.29 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 2.38 2.52 0.00 44 C 8.34 4.11 0.00 3.05 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 45 A 7.98 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.89 0.00 2.21 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 2.32 2.54 0.00 47 V 7.78 3.55 2.23 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 1.08 0.00 0.00 0.89 0.00 0.00 48 I 7.65 3.68 2.03 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 1.52 0.81 0.91 0.00 0.00 49 I 7.93 3.68 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 1.45 1.20 0.90 0.00 0.00 50 A 8.17 3.99 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 51 C 8.30 4.07 0.00 3.07 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 52 K 7.98 4.11 0.00 1.91 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.62 7.81 53 N 7.81 4.55 0.00 2.94 2.85 0.00 0.00 7.02 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 54 N 7.66 4.14 0.00 2.89 2.91 0.00 0.00 6.84 8.19 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 55 D 7.65 4.62 0.00 2.72 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 56 K 8.33 3.95 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 57 E 8.13 3.93 0.00 2.13 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 2.36 0.00 58 E 8.20 3.92 0.00 2.27 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 2.28 2.33 0.00 59 V 7.58 3.53 2.21 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 0.82 0.00 0.00 1.03 0.00 0.00 60 V 7.51 3.66 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 0.85 0.00 0.00 0.93 0.00 0.00 61 K 7.95 4.12 0.00 1.95 1.78 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.62 7.81 62 E 8.23 3.88 0.00 1.96 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 2.46 2.42 0.00 *64 V 7.84 3.73 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 0.97 0.00 0.00 0.87 0.00 0.00 65 D 7.95 4.41 0.00 2.93 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 66 V 7.91 3.68 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 1.12 0.00 0.00 1.00 0.00 0.00 67 F 7.99 4.37 0.00 3.15 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 68 Y 8.56 4.05 0.00 3.06 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 69 H 8.48 3.98 0.00 3.31 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 C 8.36 4.28 0.00 3.27 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 71 F 8.52 4.60 0.00 3.19 3.23 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 0.00 72 V 7.85 3.50 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 0.43 0.00 0.00 0.09 0.00 0.00 73 L 8.11 3.98 0.00 1.94 1.93 0.95 0.57 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 74 L 8.23 4.01 0.00 2.16 2.05 0.80 0.75 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 75 A 8.19 4.03 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 76 E 8.52 3.98 0.00 2.34 2.36 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 2.40 2.46 0.00 77 K 8.16 4.28 0.00 1.79 1.84 0.00 1.95 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.65 1.64 7.81 78 N 7.79 4.15 0.00 2.88 2.88 0.00 0.00 6.80 6.79 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 79 I 7.99 4.33 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 1.23 0.73 0.88 0.00 0.00 80 A 8.37 4.13 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 81 L 7.99 3.33 0.00 0.27 0.93 0.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.82 3.90 0.00 2.08 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 2.19 2.33 0.00 83 D 7.79 4.47 0.00 2.84 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 84 V 7.23 3.81 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 0.89 0.00 0.00 0.80 0.00 0.00 *86 R 8.14 4.19 0.00 2.08 1.96 0.00 3.14 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 87 E 7.90 3.87 0.00 2.04 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 2.27 2.32 0.00 88 V 7.95 3.52 2.00 0.00 0.00 0.00 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 0.89 0.00 0.00 89 K 7.89 3.95 0.00 1.97 1.82 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.45 7.81 90 E 8.46 3.89 0.00 2.07 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 2.29 2.30 0.00 91 R 8.25 3.88 0.00 2.09 2.05 0.00 3.18 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 92 N 8.08 4.37 0.00 2.99 2.84 0.00 0.00 7.20 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 93 G 7.95 3.76 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 0.00 0.00 0.00 94 K 7.76 4.07 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.71 7.81 95 L 7.56 4.30 0.00 1.77 1.58 0.99 1.29 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 * Residues marked with a * may have inaccurate shift predictions.