NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.4255 8.4045 120.3241 55.4392 33.3763 175.4618 21 N 4.3882 8.8231 120.0878 53.6299 39.6237 172.3568 *29 T 4.5720 8.5666 110.6539 61.0198 71.9334 178.3465 30 N 4.4801 8.0604 119.3989 56.0540 38.6912 177.5318 31 Q 3.9960 8.0273 118.9700 59.1124 28.8470 178.7783 32 L 4.1335 7.9345 119.4766 57.7493 41.6271 179.2064 33 Q 3.9919 8.2461 119.7777 59.2973 28.9573 177.6128 34 Y 3.8354 8.1573 120.6881 60.5360 38.7183 177.9326 35 L 4.0925 8.1083 119.8394 57.7902 41.5505 179.1989 36 Q 4.1917 8.5697 122.1175 59.9535 28.9500 178.9450 37 K 4.1965 8.7007 124.0816 58.2886 31.7845 180.1395 38 V 4.2119 7.6897 115.8222 64.4053 33.0959 177.6550 39 V 3.6396 7.2692 117.1347 65.7546 31.7441 177.5499 40 L 4.2846 8.8617 120.9117 58.1200 42.0885 178.7552 41 K 3.9798 7.7869 118.1960 59.7826 31.9233 178.3330 42 D 4.5814 7.6996 116.2220 56.6595 41.1973 178.4473 43 L 4.3255 8.1092 119.8199 57.2761 41.4599 179.1179 44 W 4.1107 8.3029 128.1781 60.2655 30.7746 177.1611 45 K 4.3211 8.1248 115.4058 57.9270 32.1805 176.9737 46 H 4.1699 7.9725 119.6501 56.1121 30.3101 175.8356 47 S 4.1138 8.5385 122.3429 61.7507 62.6681 175.4037 48 F 5.2772 8.2246 115.9151 57.5355 38.9153 176.8571 49 S 4.5852 8.3407 118.0126 59.8632 63.4272 176.3557 50 W 4.1844 8.2073 118.8848 58.9950 27.8916 176.0033 51 P 3.7927 0.0000 0.0000 63.6127 30.8311 176.5683 52 F 4.6926 7.8931 117.1247 56.8475 39.4022 174.7346 53 Q 5.0335 7.4629 119.4223 54.0098 31.4546 175.2274 54 R 4.6746 9.0134 119.4294 53.5246 33.4026 174.1326 55 P 4.5469 0.0000 0.0000 63.0130 32.5061 177.7196 56 V 3.9824 7.8854 115.8859 60.2538 33.8508 175.5186 *60 K 4.0482 8.2214 111.8704 58.0278 32.5248 176.2674 61 L 4.2919 7.4329 121.4141 54.5922 43.5354 176.7048 62 Q 4.4237 8.4639 124.5946 54.9455 31.1706 177.0497 63 L 4.1227 8.3891 122.2989 57.7531 41.8143 177.8751 64 P 4.3219 0.0000 0.0000 66.0904 31.3543 178.2973 65 D 4.4599 8.1383 116.8480 57.1230 40.9346 177.9847 66 Y 4.2134 8.5731 120.7100 60.8522 38.7923 177.5282 67 Y 3.8684 8.3599 120.5291 61.0045 38.6917 177.8945 68 T 3.7270 7.6011 115.2994 66.9274 68.7125 176.2040 69 I 3.5786 7.4536 121.2303 64.2735 37.0431 178.3754 70 I 3.7087 7.0556 111.9471 62.4740 37.7066 177.5752 71 K 3.9096 7.1746 120.1446 57.8063 32.4239 176.3396 72 N 4.4439 7.1586 119.8752 52.1294 38.6034 173.0379 73 P 4.3012 0.0000 0.0000 64.3723 31.8929 175.7820 74 M 4.5432 7.8773 119.4296 53.7886 33.6522 174.7674 75 D 4.7856 7.9237 123.5843 50.9232 44.0950 176.4192 76 L 4.0247 9.0326 120.3250 57.6500 41.3995 179.7659 77 N 4.6413 8.2755 116.4855 56.5773 38.5311 177.0652 78 T 3.7820 8.7086 117.5132 66.7928 68.4967 176.5730 79 I 3.6539 7.3015 120.7802 64.1892 37.1055 178.1079 80 K 3.7911 8.2591 120.6542 59.8377 31.9062 178.8707 81 K 3.9837 8.2947 118.6319 59.3796 31.8677 179.6615 82 R 3.6700 8.0674 118.5684 59.0969 29.4581 179.0995 83 L 4.1920 8.2664 118.9810 57.9881 41.4228 179.4934 84 E 4.1267 8.1374 117.5459 58.6160 29.3717 178.0884 85 N 4.8313 8.1374 116.6029 52.2793 39.2323 175.5133 86 K 3.9346 7.6815 119.0645 55.7372 29.7259 180.2272 87 Y 4.0717 8.2868 123.4275 60.6627 39.0734 175.3325 88 Y 4.7811 7.6124 116.8303 56.8057 39.1847 175.3054 89 A 4.2469 8.8831 128.1861 53.9800 19.2632 177.9338 90 K 4.6957 7.9088 113.3870 53.8227 35.8534 177.1590 91 A 4.0268 8.6452 123.9313 55.2264 18.2485 180.3060 92 S 4.1612 8.1052 112.3413 61.5957 62.7997 176.4945 93 E 4.2208 8.1718 122.4726 59.2899 29.1413 178.7324 94 C 3.4251 7.4308 118.4122 62.1918 31.6447 175.4469 95 I 4.0960 7.6915 121.0136 64.5476 36.5823 178.2044 96 E 4.0723 8.3278 119.4898 59.5551 29.2753 179.2053 97 D 4.3032 7.8926 119.0402 57.3079 40.8681 178.7161 98 F 3.7304 8.1222 118.3582 60.4067 38.8385 177.2254 99 N 4.4606 8.4780 116.6123 56.9885 38.7358 176.8713 100 T 3.8311 8.1044 117.3703 66.8642 68.5576 175.9107 101 M 3.7651 7.6369 119.7089 58.7908 32.1668 178.3393 102 F 3.7715 7.4933 117.6099 60.4079 38.9767 177.7463 103 S 4.1154 8.5069 113.2207 61.4357 62.0180 175.8919 104 N 4.4503 8.3259 119.3750 56.3475 37.9513 177.0047 105 C 4.1965 7.7324 119.6361 62.7576 31.5702 175.3254 106 Y 4.4314 7.6944 118.3806 61.1937 37.2463 178.3913 107 L 3.8589 8.0682 119.2166 56.8019 41.5601 177.6562 108 Y 4.8337 7.1409 112.2388 57.4967 38.4845 174.3939 109 N 5.1776 7.6168 116.7485 51.6013 43.0481 173.5511 110 K 4.5780 9.0249 118.6669 54.0038 33.7870 175.0122 111 P 4.4064 0.0000 0.0000 64.3202 31.6381 176.9697 112 G 3.9252 8.8396 108.8435 46.2485 0.0000 174.1673 113 D 4.5105 7.8871 120.4039 53.8740 42.7146 176.7513 114 D 4.3315 8.7677 123.0819 57.8959 40.7964 179.3627 115 I 3.5653 7.6281 118.2987 63.9142 37.9755 177.9977 116 V 3.7805 7.7508 118.7756 65.9764 31.4884 177.8858 117 L 4.2794 7.8889 120.1206 57.4918 41.4377 179.3885 118 M 3.9434 8.0193 118.3894 58.3278 31.9020 178.5779 119 A 3.8109 8.4166 121.0274 55.4233 18.5566 179.7820 120 Q 4.2253 9.0192 118.0463 58.3881 28.8804 178.7144 121 A 4.1666 8.0977 121.9300 55.2731 18.4149 179.7181 122 L 3.9630 8.0138 117.4970 57.7748 41.5599 179.4002 123 E 3.3355 7.9576 119.4531 58.4892 29.4595 178.5233 124 K 3.8289 8.2271 120.0997 59.5637 32.2755 178.4114 125 L 4.2412 7.7399 121.3639 57.4864 41.9352 178.6570 126 F 4.1515 8.5466 120.9210 61.7467 39.3683 177.0075 127 M 3.8137 8.4418 118.6137 58.2633 31.1556 178.6269 128 Q 3.9359 8.1639 118.1757 59.1728 28.7617 179.2352 129 K 4.0705 7.9136 117.9221 59.4282 32.3465 179.1786 130 L 4.0300 7.8539 119.6041 57.7371 41.2923 179.6757 131 S 4.1081 8.1599 113.4412 61.3325 62.9154 175.8855 132 Q 4.1942 7.8909 119.2975 55.8833 29.0523 176.0030 133 M 3.4024 7.1667 121.0294 54.3034 32.6956 174.1508 134 P 4.2061 0.0000 0.0000 63.4400 32.2062 177.0072 135 Q 4.1821 8.4397 119.3874 55.0751 28.3948 173.8456 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 20 M 8.40 4.43 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 21 N 8.82 4.39 0.00 2.81 2.71 0.00 0.00 6.70 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 T 8.57 4.57 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 30 N 8.06 4.48 0.00 2.81 2.91 0.00 0.00 7.01 7.40 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 31 Q 8.03 4.00 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 32 L 7.93 4.13 0.00 1.77 1.82 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.25 3.99 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 34 Y 8.16 3.84 0.00 3.14 3.06 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 0.00 0.00 0.00 0.00 35 L 8.11 4.09 0.00 2.05 1.91 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.57 4.19 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 37 K 8.70 4.20 0.00 1.85 1.71 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.31 7.81 38 V 7.69 4.21 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.58 0.00 0.00 39 V 7.27 3.64 2.28 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 0.96 0.00 0.00 0.87 0.00 0.00 40 L 8.86 4.28 0.00 2.06 2.03 1.25 -0.15 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 41 K 7.79 3.98 0.00 1.99 1.87 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.36 7.81 42 D 7.70 4.58 0.00 2.83 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 43 L 8.11 4.33 0.00 2.13 1.92 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.30 4.11 0.00 3.69 3.33 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 45 K 8.12 4.32 0.00 2.01 1.93 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.64 1.70 7.81 46 H 7.97 4.17 0.00 3.44 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.54 4.11 0.00 3.23 3.63 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 48 F 8.22 5.28 0.00 3.17 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 49 S 8.34 4.59 0.00 4.01 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 50 W 8.21 4.18 0.00 3.53 3.35 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 51 P 0.00 3.79 0.00 0.49 1.12 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.44 0.00 52 F 7.89 4.69 0.00 3.04 2.86 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 53 Q 7.46 5.03 0.00 1.80 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.60 0.00 0.00 0.00 0.00 0.00 1.49 2.06 0.00 54 R 9.01 4.67 0.00 1.71 1.79 0.00 3.29 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 55 P 0.00 4.55 0.00 2.22 2.11 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 56 V 7.89 3.98 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 0.73 0.00 0.00 0.93 0.00 0.00 *60 K 8.22 4.05 0.00 1.68 1.79 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.40 7.81 61 L 7.43 4.29 0.00 1.62 1.56 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.46 4.42 0.00 2.32 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 63 L 8.39 4.12 0.00 1.77 1.79 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.32 0.00 2.21 2.17 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 65 D 8.14 4.46 0.00 2.95 2.79 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 66 Y 8.57 4.21 0.00 3.11 3.19 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 67 Y 8.36 3.87 0.00 3.13 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 68 T 7.60 3.73 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 1.19 0.00 0.00 69 I 7.45 3.58 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 0.74 0.00 0.00 70 I 7.06 3.71 1.59 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.10 0.36 0.00 0.00 71 K 7.17 3.91 0.00 1.45 0.89 0.00 1.40 0.00 0.00 1.23 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.20 7.81 72 N 7.16 4.44 0.00 2.57 2.69 0.00 0.00 7.19 7.79 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 73 P 0.00 4.30 0.00 2.16 2.09 0.00 3.72 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 1.94 1.89 0.00 74 M 7.88 4.54 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 75 D 7.92 4.79 0.00 3.08 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 76 L 9.03 4.02 0.00 1.75 2.07 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.28 4.64 0.00 3.03 2.98 0.00 0.00 7.16 7.05 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 78 T 8.71 3.78 4.28 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 0.00 0.00 0.00 1.04 0.00 0.00 79 I 7.30 3.65 1.78 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.48 0.68 0.00 0.00 80 K 8.26 3.79 0.00 1.88 2.00 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.44 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.36 1.25 7.81 81 K 8.29 3.98 0.00 1.84 1.77 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.35 7.81 82 R 8.07 3.67 0.00 1.79 0.94 0.00 2.79 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 83 L 8.27 4.19 0.00 1.90 1.82 1.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.14 4.13 0.00 2.07 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 2.31 2.39 0.00 85 N 8.14 4.83 0.00 2.72 2.83 0.00 0.00 6.95 7.16 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 86 K 7.68 3.93 0.00 1.96 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.23 7.81 87 Y 8.29 4.07 0.00 2.62 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 88 Y 7.61 4.78 0.00 3.13 3.06 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 0.00 0.00 0.00 0.00 89 A 8.88 4.25 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.91 4.70 0.00 1.81 1.68 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.41 7.81 91 A 8.65 4.03 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 92 S 8.11 4.16 0.00 4.08 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 4.22 0.00 2.29 2.27 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 2.41 2.37 0.00 94 C 7.43 3.43 0.00 1.78 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.69 4.10 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.95 1.08 0.00 0.00 96 E 8.33 4.07 0.00 2.29 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 0.00 2.38 2.60 0.00 97 D 7.89 4.30 0.00 2.70 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 98 F 8.12 3.73 0.00 3.25 2.62 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 99 N 8.48 4.46 0.00 2.98 3.07 0.00 0.00 7.23 6.75 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 0.00 100 T 8.10 3.83 4.35 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 1.18 0.00 0.00 101 M 7.64 3.77 0.00 1.47 1.68 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.15 0.00 102 F 7.49 3.77 0.00 2.96 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.51 4.12 0.00 3.95 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 0.00 104 N 8.33 4.45 0.00 3.03 2.92 0.00 0.00 6.66 7.30 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 0.00 105 C 7.73 4.20 0.00 3.01 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 0.00 106 Y 7.69 4.43 0.00 3.00 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 0.00 107 L 8.07 3.86 0.00 1.01 0.35 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 7.14 4.83 0.00 3.13 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 0.00 109 N 7.62 5.18 0.00 2.78 2.88 0.00 0.00 6.81 7.49 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 0.00 110 K 9.02 4.58 0.00 2.05 1.72 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.26 7.81 111 P 0.00 4.41 0.00 2.01 1.96 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 2.01 2.07 0.00 112 G 8.84 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.89 4.51 0.00 2.85 2.60 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 0.00 114 D 8.77 4.33 0.00 2.65 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 0.00 115 I 7.63 3.57 1.75 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.34 0.91 0.00 0.00 116 V 7.75 3.78 2.28 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 1.13 0.00 0.00 1.07 0.00 0.00 117 L 7.89 4.28 0.00 1.81 1.65 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 118 M 8.02 3.94 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.36 0.00 119 A 8.42 3.81 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 9.02 4.23 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 121 A 8.10 4.17 1.58 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 0.00 122 L 8.01 3.96 0.00 2.00 1.86 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.96 3.34 0.00 1.34 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 0.00 1.96 1.47 0.00 124 K 8.23 3.83 0.00 1.94 1.97 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 125 L 7.74 4.24 0.00 1.91 1.95 0.96 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 0.00 126 F 8.55 4.15 0.00 3.16 3.04 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 0.00 127 M 8.44 3.81 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 128 Q 8.16 3.94 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 129 K 7.91 4.07 0.00 1.65 1.87 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.64 1.62 7.81 130 L 7.85 4.03 0.00 1.55 1.49 0.33 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.16 4.11 0.00 3.93 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 0.00 132 Q 7.89 4.19 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 133 M 7.17 3.40 0.00 1.70 1.56 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.92 0.00 134 P 0.00 4.21 0.00 1.97 1.91 0.00 3.13 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 135 Q 8.44 4.18 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 * Residues marked with a * may have inaccurate shift predictions.