NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3929 8.1733 120.0848 56.8229 32.2726 174.8617 4 I 4.7385 7.6390 120.3987 58.7069 40.7567 174.5555 5 R 5.6539 9.1171 127.3050 54.4239 33.4606 174.9489 6 I 5.4748 8.0171 123.0566 59.3090 40.9053 174.9506 7 K 4.6594 8.3387 129.5630 54.6234 30.5448 175.2515 8 L 4.2320 8.4880 121.0966 54.9619 43.3009 176.9869 9 R 4.7608 8.5570 124.2897 54.3069 33.1190 175.3555 10 G 4.1858 8.3940 109.3135 45.8563 0.0000 172.2246 11 F 5.0008 8.8285 122.8674 59.8996 38.6816 174.4438 12 D 4.3713 8.3794 125.2752 55.0178 41.0244 177.1093 13 H 4.4559 8.5948 122.1928 56.9470 28.2076 176.6806 14 K 4.0784 8.7458 121.3112 58.9801 32.1864 178.2976 15 T 4.3675 7.6178 106.6628 61.3183 68.7988 174.5414 16 L 4.7402 7.5852 122.5896 55.1797 42.5333 176.2867 17 D 4.5646 8.0340 115.5321 55.0980 43.4398 177.0093 18 A 4.0272 7.5565 118.9203 55.1882 18.5968 179.6407 19 S 4.1429 8.0657 109.6121 60.9565 63.6811 175.3392 20 A 4.4674 7.5080 121.1210 52.0919 17.0950 177.4518 21 Q 4.4140 7.9101 119.1536 57.0006 30.9604 176.9950 22 K 4.0919 7.9111 117.6826 57.9140 32.4625 177.7088 23 I 4.7026 7.6892 117.3637 61.1151 37.3927 175.9047 24 V 4.3008 7.6265 120.0735 62.7231 33.0167 175.8382 25 E 4.5659 7.7192 116.1085 56.0000 31.4114 176.1493 26 A 4.6059 7.4159 120.2872 51.5461 18.9806 177.7584 27 A 4.5274 7.6972 116.4852 54.3820 22.6593 177.7379 28 R 4.7322 7.9622 116.3754 56.1346 31.1507 177.1609 29 R 4.5302 7.8574 114.3102 56.1824 31.3075 175.4815 30 S 4.6362 8.0897 112.3950 57.9752 62.2548 175.7639 31 G 4.3221 6.6529 117.4157 45.8288 0.0000 172.6732 32 A 4.8004 6.7496 118.5513 48.9109 23.7272 175.1657 33 Q 4.5353 8.7129 117.9311 56.0256 30.2793 176.0818 34 V 4.6844 8.1038 120.4848 61.2970 34.9967 173.8350 35 S 4.6273 8.7563 116.5183 55.9609 63.2835 173.9907 36 G 3.7454 8.7882 115.5752 45.3240 0.0000 169.8210 37 P 4.2021 0.0000 0.0000 63.2619 31.6236 175.8856 38 I 4.4043 8.4190 127.1605 57.9777 38.4258 171.5139 39 P 4.6230 0.0000 0.0000 62.3022 31.9398 176.7495 40 L 4.4755 7.9141 124.3176 53.3220 43.0043 174.7153 41 P 4.3151 0.0000 0.0000 63.0543 31.8008 176.1639 42 T 4.1803 8.3805 119.0169 63.2164 68.9129 174.6634 43 R 4.0177 8.5691 127.1689 56.6335 30.4936 176.0936 44 V 4.3042 8.1856 124.2528 61.9258 33.0227 175.1235 45 R 4.5387 8.4381 126.5710 54.6837 33.1565 173.8138 46 R 5.2627 8.5182 125.2675 53.8067 32.4395 175.2560 47 F 4.6029 9.1816 123.6493 56.5216 40.6527 175.1016 48 T 4.9858 8.4263 120.6021 62.0714 70.5126 174.1451 49 V 4.5313 7.7245 121.5729 60.5328 35.3704 173.1175 50 I 4.0857 8.3112 116.1565 60.3255 37.7976 175.7426 51 R 3.9890 8.9283 125.7296 59.1550 30.1271 177.8280 52 G 3.8878 7.9062 104.8027 45.0763 0.0000 171.4219 53 P 4.6255 0.0000 0.0000 63.4362 33.8705 176.7030 54 F 4.5629 8.7117 119.4330 58.7941 37.5121 176.3422 55 K 4.3928 8.7588 110.9955 56.6562 35.0831 177.1239 56 H 4.5585 8.0884 116.6817 55.1884 28.0224 174.0417 57 K 3.9135 7.3261 121.6637 54.5311 32.6337 173.2767 58 D 4.1140 9.1580 119.6711 55.2328 46.0867 177.9636 59 S 3.5470 8.6302 108.3178 60.2922 59.3651 171.5820 60 R 4.5098 7.6225 122.8872 54.9011 31.8879 174.2107 61 E 4.7778 8.0909 112.7256 55.4235 33.2330 174.0535 62 H 4.6956 8.5942 116.4059 54.1028 31.6791 173.5517 63 F 5.1885 8.6194 120.2941 57.6920 42.0168 174.1036 64 E 5.2222 8.5865 114.8730 56.6349 32.0571 175.4512 65 L 4.4881 9.4927 124.1482 53.4618 43.1828 173.1760 66 R 4.6611 8.2375 120.6264 55.2841 31.2612 176.2904 67 T 4.5907 8.8452 122.8912 62.5050 69.3911 173.5284 68 H 4.6982 8.6911 124.0503 55.4776 29.8679 174.9046 69 N 5.7716 8.6727 120.9086 51.9980 41.1106 174.4936 70 R 4.8759 8.2331 118.2017 54.7469 35.2277 173.7327 71 L 5.1998 8.2563 122.6694 52.3701 45.5497 175.6625 72 V 4.5937 8.1548 124.6759 62.1905 34.4802 172.5848 73 D 5.1237 8.6702 126.9625 52.6335 44.8500 175.5544 74 I 4.5143 7.7199 120.5927 60.4199 38.5545 176.5974 75 I 3.9125 8.8536 116.7189 63.4404 37.8307 176.1412 76 N 4.9695 7.7541 117.6579 49.8341 41.2243 174.1821 77 P 4.5273 0.0000 0.0000 65.0370 29.7656 176.9420 78 N 3.9904 7.4130 115.3577 53.2369 38.0843 176.5627 79 R 3.9761 8.6651 123.8995 58.5649 30.4697 177.8808 80 K 4.2369 7.9420 117.9215 58.1164 33.0610 178.2316 81 T 4.1053 7.6666 115.0520 65.7890 68.4000 176.4685 82 I 3.8492 7.6991 120.6834 63.0316 37.0406 177.0085 83 E 4.3158 7.8148 119.0399 58.4959 30.3819 176.9742 84 Q 4.2598 7.4491 116.6691 57.7870 30.0748 177.4367 85 L 4.7569 7.7168 118.2385 52.5791 41.8625 176.2127 86 M 4.8135 7.9265 113.7313 55.9180 35.3099 174.3613 87 T 4.6062 7.6265 104.4627 63.2242 74.1657 173.7301 88 L 4.2123 7.7356 123.7219 54.5776 40.4667 174.9002 89 D 4.7708 7.7731 122.8376 53.4125 45.0915 175.2638 90 L 4.4008 7.7550 118.7967 53.0311 42.5140 173.0057 91 P 4.5396 0.0000 0.0000 62.2747 33.6568 173.4377 92 T 3.6828 8.9040 117.0617 64.1525 66.3927 176.2980 93 G 4.0078 5.3800 109.5731 45.7281 0.0000 174.2566 94 V 4.6784 7.4138 117.7073 61.0965 35.3250 175.8613 95 E 4.5187 8.6770 127.0405 54.0078 30.1552 173.5625 96 I 4.3050 8.0522 116.5334 60.4815 36.8420 175.3407 97 E 4.5336 8.4174 129.3159 56.4377 31.4719 175.1635 98 I 5.7709 7.8855 121.0730 60.1799 41.8229 174.7480 99 K 4.6491 8.3407 122.6047 55.9789 36.4760 174.9158 100 T 5.7954 8.2678 117.7146 62.8108 72.7829 175.0009 *101 V 3.9215 8.2159 118.4160 61.2596 32.3498 174.8515 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 K 8.17 4.39 0.00 1.73 1.97 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.67 7.81 4 I 7.64 4.74 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 1.23 0.87 0.94 0.00 0.00 5 R 9.12 5.65 0.00 1.90 1.83 0.00 3.09 0.00 0.00 3.26 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 6 I 8.02 5.47 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 1.35 0.28 0.90 0.00 0.00 7 K 8.34 4.66 0.00 1.61 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.38 7.81 8 L 8.49 4.23 0.00 1.75 1.61 0.91 0.61 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 9 R 8.56 4.76 0.00 1.61 1.72 0.00 3.09 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 10 G 8.39 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 0.00 0.00 0.00 0.00 11 F 8.83 5.00 0.00 2.99 2.92 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 12 D 8.38 4.37 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 13 H 8.59 4.46 0.00 3.11 2.71 0.00 5.59 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 14 K 8.75 4.08 0.00 1.93 1.90 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.69 7.81 15 T 7.62 4.37 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 1.29 0.00 0.00 16 L 7.59 4.74 0.00 1.78 1.64 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.03 4.56 0.00 2.67 2.66 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 0.00 0.00 0.00 0.00 18 A 7.56 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.14 0.00 4.01 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 20 A 7.51 4.47 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 21 Q 7.91 4.41 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 22 K 7.91 4.09 0.00 1.88 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.55 7.81 23 I 7.69 4.70 1.87 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 1.29 0.87 0.91 0.00 0.00 24 V 7.63 4.30 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 0.83 0.00 0.00 0.97 0.00 0.00 25 E 7.72 4.57 0.00 2.13 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 2.22 2.20 0.00 26 A 7.42 4.61 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 27 A 7.70 4.53 1.29 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 28 R 7.96 4.73 0.00 1.98 1.88 0.00 3.33 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 29 R 7.86 4.53 0.00 1.77 1.87 0.00 3.44 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 30 S 8.09 4.64 0.00 4.01 4.17 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 0.00 0.00 0.00 31 G 6.65 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 0.00 0.00 0.00 0.00 32 A 6.75 4.80 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 33 Q 8.71 4.54 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.21 0.00 34 V 8.10 4.68 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 0.93 0.00 0.00 35 S 8.76 4.63 0.00 3.80 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 36 G 8.79 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 0.00 0.00 0.00 37 P 0.00 4.20 0.00 1.94 2.09 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 38 I 8.42 4.40 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 1.29 1.47 0.98 0.00 0.00 39 P 0.00 4.62 0.00 2.14 2.07 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 40 L 7.91 4.48 0.00 1.69 1.70 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.32 0.00 2.18 2.06 0.00 3.77 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 1.99 1.99 0.00 42 T 8.38 4.18 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 1.07 0.00 0.00 43 R 8.57 4.02 0.00 1.74 1.95 0.00 3.29 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 44 V 8.19 4.30 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 0.75 0.00 0.00 0.99 0.00 0.00 45 R 8.44 4.54 0.00 2.16 1.96 0.00 3.27 0.00 0.00 3.63 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.52 0.00 46 R 8.52 5.26 0.00 1.64 1.79 0.00 3.24 0.00 0.00 3.40 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 47 F 9.18 4.60 0.00 3.18 3.12 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 48 T 8.43 4.99 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 1.15 0.00 0.00 49 V 7.72 4.53 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 0.59 0.00 0.00 0.95 0.00 0.00 50 I 8.31 4.09 1.87 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 1.41 0.85 0.88 0.00 0.00 51 R 8.93 3.99 0.00 1.97 2.09 0.00 3.20 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 1.77 1.61 0.00 52 G 7.91 3.89 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 0.00 0.00 0.00 53 P 0.00 4.63 0.00 2.26 2.24 0.00 3.89 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 2.07 2.01 0.00 54 F 8.71 4.56 0.00 2.90 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 55 K 8.76 4.39 0.00 1.10 1.31 0.00 0.68 0.00 0.00 1.20 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.61 0.21 7.81 56 H 8.09 4.56 0.00 3.23 3.31 0.00 5.66 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.33 3.91 0.00 1.63 1.77 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.55 7.81 58 D 9.16 4.11 0.00 2.63 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 59 S 8.63 3.55 0.00 3.92 3.97 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 60 R 7.62 4.51 0.00 2.02 1.84 0.00 2.99 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 61 E 8.09 4.78 0.00 1.95 1.95 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 2.08 1.92 0.00 62 H 8.59 4.70 0.00 3.11 3.12 0.00 5.53 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.62 5.19 0.00 3.03 2.96 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 0.00 0.00 0.00 64 E 8.59 5.22 0.00 1.97 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 0.00 2.25 2.31 0.00 65 L 9.49 4.49 0.00 1.69 1.65 0.11 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.24 4.66 0.00 1.71 1.68 0.00 3.26 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 67 T 8.85 4.59 4.34 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 1.22 0.00 0.00 68 H 8.69 4.70 0.00 3.32 3.33 0.00 5.80 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.67 5.77 0.00 2.74 2.73 0.00 0.00 7.38 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 70 R 8.23 4.88 0.00 1.71 1.75 0.00 3.21 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 71 L 8.26 5.20 0.00 1.76 1.67 1.00 0.74 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 72 V 8.15 4.59 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 0.77 0.00 0.00 0.93 0.00 0.00 73 D 8.67 5.12 0.00 2.58 2.48 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 74 I 7.72 4.51 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 1.35 0.49 1.07 0.00 0.00 75 I 8.85 3.91 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 1.55 0.52 0.97 0.00 0.00 76 N 7.75 4.97 0.00 2.82 2.74 0.00 0.00 6.91 8.02 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 77 P 0.00 4.53 0.00 2.17 2.11 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 78 N 7.41 3.99 0.00 2.78 2.79 0.00 0.00 6.98 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 8.67 3.98 0.00 1.79 2.00 0.00 3.36 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 80 K 7.94 4.24 0.00 1.78 1.78 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 81 T 7.67 4.11 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 82 I 7.70 3.85 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 1.66 0.73 0.91 0.00 0.00 83 E 7.81 4.32 0.00 1.95 2.16 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 2.22 2.32 0.00 84 Q 7.45 4.26 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.75 0.00 85 L 7.72 4.76 0.00 1.59 1.55 0.98 0.61 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 86 M 7.93 4.81 0.00 1.88 2.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 87 T 7.63 4.61 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 88 L 7.74 4.21 0.00 1.60 1.75 0.92 1.11 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 89 D 7.77 4.77 0.00 2.65 2.50 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 90 L 7.75 4.40 0.00 1.52 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.54 0.00 2.20 2.02 0.00 3.80 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 1.97 1.93 0.00 92 T 8.90 3.68 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 1.22 0.00 0.00 93 G 5.38 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 0.00 0.00 0.00 94 V 7.41 4.68 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 0.79 0.00 0.00 0.94 0.00 0.00 95 E 8.68 4.52 0.00 2.08 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 2.13 2.21 0.00 96 I 8.05 4.30 1.86 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 1.33 0.97 0.90 0.00 0.00 97 E 8.42 4.53 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 98 I 7.89 5.77 1.86 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 1.35 0.86 0.96 0.00 0.00 99 K 8.34 4.65 0.00 1.60 1.68 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.39 7.81 100 T 8.27 5.80 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 1.26 0.00 0.00 *101 V 8.22 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.