NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.0990 8.3331 121.7113 56.8717 30.1744 175.2132 9 G 3.9202 8.6035 106.3100 45.1848 0.0000 171.1608 10 I 4.5546 8.1075 120.3201 59.6978 40.1171 173.6722 11 L 4.6259 8.6436 128.2431 53.5553 43.6319 175.0285 12 S 4.9501 8.6703 121.7334 57.4159 63.9488 173.2173 13 L 4.6592 8.7924 127.7418 53.5192 44.7775 174.4650 14 A 5.0370 8.6755 128.3368 50.1069 21.3072 175.2849 15 L 4.4131 8.9537 124.1509 52.9496 42.5239 177.4804 16 K 3.8691 8.8610 126.7073 59.0883 32.6120 175.6324 17 D 4.7387 7.5424 115.6216 50.9503 42.3879 175.6240 18 K 4.0829 8.6427 117.0653 59.2659 31.8444 179.3916 19 A 4.0787 8.1353 120.8792 54.9123 18.5375 179.2721 20 A 4.0085 8.7902 119.8042 55.1533 18.4184 179.2231 21 L 3.9199 7.8921 118.6185 58.7591 41.9084 178.4408 22 Y 4.1132 8.0150 118.3804 60.9902 38.8184 178.2967 23 S 4.2988 8.1410 113.4196 61.1815 63.4165 176.0599 24 A 4.2537 8.2838 124.5009 56.4296 18.3580 177.6226 25 Y 4.4822 7.9857 116.5675 56.9926 38.9867 173.2757 *27 P 3.7399 0.0000 0.0000 62.5204 32.9953 177.3119 28 F 4.2299 7.2935 111.8666 57.8654 38.3396 175.3531 29 V 3.5316 6.4512 123.1054 61.8411 31.7371 175.1850 30 K 4.0195 8.3439 126.8539 58.2876 32.2863 177.4255 31 S 4.0354 8.9506 117.5828 58.1853 60.8874 170.7180 32 G 3.8682 9.9311 107.1704 46.0090 0.0000 172.6999 33 G 3.5401 6.9282 106.1067 45.1554 0.0000 171.7141 34 I 4.8561 8.1797 118.6757 59.4678 41.8427 173.2156 35 F 4.9675 9.0089 131.6970 57.3803 40.6113 174.9651 36 V 4.1668 7.5780 125.6238 60.1146 33.9325 172.9248 37 P 4.8014 0.0000 0.0000 62.9627 31.9446 176.0283 38 T 4.2776 7.8463 115.4618 61.4690 70.6540 170.9984 39 P 4.6342 0.0000 0.0000 62.7942 32.2896 176.0607 40 K 4.0247 7.8059 118.9727 56.8804 32.4986 176.1981 41 R 4.6333 8.1616 119.2548 54.9201 31.9528 174.9653 42 Y 4.7239 8.1679 123.5811 56.6307 40.3547 174.6302 *44 L 4.0122 8.3815 121.4128 56.8086 42.7883 177.2541 45 G 3.9529 8.9357 109.8508 45.7616 0.0000 173.6423 46 D 4.6383 7.7456 119.4471 54.5677 42.3288 175.1176 47 E 4.9514 8.7171 120.7412 55.6742 30.6300 176.2988 48 V 4.5999 8.7525 123.9504 59.7927 35.0389 174.2752 49 F 5.0435 8.9144 126.1226 57.0480 41.0219 173.6357 50 L 5.0055 8.9261 129.7753 53.1950 44.4607 174.5465 51 L 4.8111 8.7801 129.0199 53.5108 43.9139 174.6116 52 L 4.8366 8.7965 130.1577 53.7922 44.1998 174.9989 53 T 4.8151 9.0584 124.3119 61.7511 70.7318 173.9978 54 L 4.5251 8.4461 127.0239 53.2571 43.2556 174.8312 55 P 4.5838 0.0000 0.0000 63.7968 31.6512 175.4766 56 D 4.4172 8.8509 120.2794 54.8712 39.5821 173.0961 57 S 4.7427 7.9346 111.8219 56.7558 64.9306 173.7740 58 S 4.7135 8.4488 112.6362 57.7053 63.0530 173.2235 59 E 4.6533 7.9105 119.9204 54.6723 32.2937 174.7438 60 R 4.6804 8.4491 123.1535 54.4894 32.4584 175.6074 61 L 4.3351 8.5919 125.4526 52.9532 42.4972 174.2744 62 P 4.6260 0.0000 0.0000 61.8426 32.4508 176.2294 63 V 4.1199 8.5127 123.3304 61.0617 34.7215 174.6100 64 A 4.7069 8.6473 130.4094 50.4119 17.9981 175.8611 65 G 4.1363 9.1016 110.3260 44.2103 0.0000 169.3141 66 K 5.1709 8.6473 120.2267 54.0839 35.6716 175.3804 67 V 4.1862 9.1595 128.0305 63.3897 31.9640 176.4039 68 V 4.5240 8.1598 119.8329 60.6980 33.9181 175.6584 69 W 4.5859 7.5675 127.2723 56.7189 33.8174 172.8467 70 T 4.9306 8.0725 116.4570 60.1607 71.4568 173.7449 71 T 4.3078 8.6740 121.7731 60.7637 69.8349 173.1875 72 P 4.1597 0.0000 0.0000 64.8498 31.5534 176.0922 *78 N 4.3942 7.6301 114.8687 54.4798 39.5290 170.2870 79 R 3.5801 8.6075 123.2472 56.7038 28.9226 175.9372 80 A 4.4781 8.4063 124.8138 50.6831 20.1812 176.5366 81 A 4.3261 8.5804 123.0521 51.1248 19.7381 178.5695 82 G 4.0360 7.0916 106.7571 46.0365 0.0000 171.0387 83 I 4.9955 6.7482 113.1304 59.1294 41.7680 175.0538 84 G 4.4211 9.1842 112.0900 45.4336 0.0000 172.6991 85 V 4.6424 8.4440 127.5206 61.1420 33.3452 174.4010 86 Q 4.6535 8.9018 130.4480 54.8916 30.4801 175.0070 87 F 5.1093 8.2985 125.5351 56.8392 39.9034 173.6382 88 P 4.6370 0.0000 0.0000 62.6238 32.5112 175.7047 89 D 4.6410 8.5657 121.3143 53.9485 40.6082 175.2216 90 G 3.7604 8.7247 105.3094 43.9271 0.0000 172.2854 91 P 4.2008 0.0000 0.0000 65.9736 31.0700 178.6417 92 E 4.0635 8.3516 116.6495 58.9841 29.2670 179.5521 93 G 4.1628 7.7581 106.3610 46.7666 0.0000 175.6202 94 E 4.0310 8.2158 121.2663 58.9498 29.3113 179.5573 95 A 3.9082 7.9935 120.8636 54.9670 18.4565 179.7592 96 V 3.2862 7.1610 115.3386 66.0982 31.5418 178.0224 97 R 4.0422 7.9014 118.3046 59.8011 29.8379 178.1841 98 N 4.3717 8.4080 116.2374 55.9939 38.6208 177.5134 99 K 3.8539 8.1811 120.1098 59.5583 32.1063 179.3832 100 I 3.5431 7.5724 119.8355 64.3877 36.8721 178.4302 101 E 3.8774 8.0721 119.6965 59.3999 29.0594 179.3839 102 T 3.8490 7.8032 108.9798 65.0039 68.7782 176.1044 103 L 4.1055 7.6389 120.7675 56.7657 41.7333 178.5322 104 L 4.6423 7.4687 115.6145 53.1749 42.1198 176.3587 105 A 3.8867 7.2269 123.1637 54.5121 18.5236 178.0216 106 G 4.0186 9.0311 110.9270 46.2522 0.0000 173.2784 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 8 Q 8.33 4.10 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.64 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 9 G 8.60 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 0.00 0.00 0.00 10 I 8.11 4.55 1.96 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 1.31 0.62 1.08 0.00 0.00 11 L 8.64 4.63 0.00 1.88 1.74 0.99 0.68 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 12 S 8.67 4.95 0.00 3.95 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.79 4.66 0.00 1.76 1.46 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.68 5.04 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 15 L 8.95 4.41 0.00 1.58 1.66 0.97 0.45 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 16 K 8.86 3.87 0.00 1.71 1.87 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 17 D 7.54 4.74 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.64 4.08 0.00 1.83 1.94 0.00 1.66 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.52 7.81 19 A 8.14 4.08 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 20 A 8.79 4.01 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 21 L 7.89 3.92 0.00 1.85 1.91 0.93 0.71 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 22 Y 8.02 4.11 0.00 3.12 3.08 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 23 S 8.14 4.30 0.00 4.18 4.16 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 24 A 8.28 4.25 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.99 4.48 0.00 2.97 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 *27 P 0.00 3.74 0.00 2.13 2.09 0.00 3.53 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 28 F 7.29 4.23 0.00 3.06 3.13 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 0.00 0.00 0.00 29 V 6.45 3.53 1.59 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 0.85 0.00 0.00 0.27 0.00 0.00 30 K 8.34 4.02 0.00 1.74 1.71 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 31 S 8.95 4.04 0.00 4.05 4.13 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 0.00 0.00 0.00 32 G 9.93 3.87 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 0.00 0.00 0.00 33 G 6.93 3.54 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 0.00 34 I 8.18 4.86 2.09 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 1.20 1.43 1.08 0.00 0.00 35 F 9.01 4.97 0.00 3.14 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 36 V 7.58 4.17 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 0.80 0.00 0.00 0.83 0.00 0.00 37 P 0.00 4.80 0.00 2.01 2.06 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 38 T 7.85 4.28 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 1.26 0.00 0.00 39 P 0.00 4.63 0.00 2.23 2.17 0.00 3.88 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 1.96 2.00 0.00 40 K 7.81 4.02 0.00 1.86 1.63 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 41 R 8.16 4.63 0.00 1.68 1.80 0.00 3.13 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 1.52 1.58 0.00 42 Y 8.17 4.72 0.00 2.86 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 *44 L 8.38 4.01 0.00 1.67 1.68 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.94 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 46 D 7.75 4.64 0.00 2.75 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 47 E 8.72 4.95 0.00 1.91 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 2.33 2.34 0.00 48 V 8.75 4.60 1.97 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 0.81 0.00 0.00 0.76 0.00 0.00 49 F 8.91 5.04 0.00 3.08 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 50 L 8.93 5.01 0.00 1.67 1.43 0.93 -0.47 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 51 L 8.78 4.81 0.00 1.82 1.53 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.80 4.84 0.00 1.71 1.49 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.06 4.82 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 1.20 0.00 0.00 54 L 8.45 4.53 0.00 1.61 1.55 0.88 1.00 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 55 P 0.00 4.58 0.00 2.03 2.27 0.00 3.85 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 56 D 8.85 4.42 0.00 2.80 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 57 S 7.93 4.74 0.00 3.99 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 58 S 8.45 4.71 0.00 3.96 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 59 E 7.91 4.65 0.00 1.87 1.79 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 2.14 2.25 0.00 60 R 8.45 4.68 0.00 1.69 1.80 0.00 3.26 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 61 L 8.59 4.34 0.00 1.47 1.48 0.81 0.75 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 62 P 0.00 4.63 0.00 1.76 1.75 0.00 3.51 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 63 V 8.51 4.12 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 0.82 0.00 0.00 0.64 0.00 0.00 64 A 8.65 4.71 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 65 G 9.10 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.65 5.17 0.00 1.83 1.63 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.37 7.81 67 V 9.16 4.19 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 0.91 0.00 0.00 0.87 0.00 0.00 68 V 8.16 4.52 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 0.78 0.00 0.00 0.96 0.00 0.00 69 W 7.57 4.59 0.00 3.47 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 70 T 8.07 4.93 4.14 0.00 0.00 0.00 0.00 0.00 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 71 T 8.67 4.31 4.60 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 1.27 0.00 0.00 72 P 0.00 4.16 0.00 2.13 2.14 0.00 3.69 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 *78 N 7.63 4.39 0.00 2.77 2.91 0.00 0.00 7.01 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 79 R 8.61 3.58 0.00 1.93 1.92 0.00 3.08 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 80 A 8.41 4.48 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 81 A 8.58 4.33 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 82 G 7.09 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 6.75 5.00 1.73 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.67 0.80 0.00 0.00 84 G 9.18 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 0.00 0.00 0.00 0.00 85 V 8.44 4.64 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 0.96 0.00 0.00 0.79 0.00 0.00 86 Q 8.90 4.65 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 87 F 8.30 5.11 0.00 2.96 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 88 P 0.00 4.64 0.00 2.13 2.31 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 89 D 8.57 4.64 0.00 2.83 2.73 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 0.00 0.00 0.00 90 G 8.72 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 91 P 0.00 4.20 0.00 2.16 2.11 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 2.11 2.18 0.00 92 E 8.35 4.06 0.00 1.93 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 2.39 2.32 0.00 93 G 7.76 4.16 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 0.00 0.00 0.00 94 E 8.22 4.03 0.00 2.13 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 2.36 2.50 0.00 95 A 7.99 3.91 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 96 V 7.16 3.29 1.72 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 0.47 0.00 0.00 0.64 0.00 0.00 97 R 7.90 4.04 0.00 2.27 2.26 0.00 3.39 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 98 N 8.41 4.37 0.00 2.74 2.82 0.00 0.00 7.06 8.78 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 99 K 8.18 3.85 0.00 1.84 1.80 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 100 I 7.57 3.54 1.43 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 1.38 0.58 -0.10 0.00 0.00 101 E 8.07 3.88 0.00 1.98 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 2.37 2.43 0.00 102 T 7.80 3.85 4.22 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 1.21 0.00 0.00 103 L 7.64 4.11 0.00 1.89 1.81 0.90 1.02 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 0.00 104 L 7.47 4.64 0.00 1.66 1.79 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.23 3.89 1.32 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 0.00 0.00 0.00 106 G 9.03 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 * Residues marked with a * may have inaccurate shift predictions.