NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 Q 4.2740 8.3293 118.8173 56.5373 29.9047 173.5338 40 S 4.4310 7.9773 111.5774 57.1985 65.4253 172.2308 41 S 4.7895 8.6121 116.5956 56.6089 66.4323 175.0746 42 V 4.4298 8.3169 123.0289 60.9974 33.5015 174.6870 43 S 4.9154 8.5095 120.4450 56.3992 65.2694 172.5550 44 W 5.0980 8.3117 133.5303 55.2609 33.4247 172.5681 45 P 2.9700 0.0000 0.0000 61.9569 31.5919 175.5885 46 Q 4.5605 7.4447 118.0807 55.4317 31.1030 175.8286 47 N 4.2204 9.6518 116.7457 54.2544 36.2834 174.7184 48 G 3.8300 8.2674 102.2313 46.3563 0.0000 174.0028 49 S 4.6827 7.8089 113.1803 56.1268 64.8346 174.2689 50 L 4.0274 8.3258 124.6558 54.6560 41.7422 176.8878 51 N 4.5387 8.0162 117.1243 53.4064 39.0039 175.3073 52 S 4.4208 8.6026 117.5327 59.0193 63.6273 174.2855 53 V 4.5780 7.8005 114.5369 59.8722 35.3238 175.6125 54 S 4.4805 8.6000 119.4027 58.0886 64.2273 174.2892 55 A 4.7911 8.0575 124.3672 49.9415 18.5699 174.3403 56 P 4.4002 0.0000 0.0000 61.6258 32.6617 177.3268 57 L 4.1987 8.2179 123.0709 54.7666 42.9599 175.7213 *59 S 4.6246 8.3736 115.5002 58.7945 64.1547 172.3594 60 Y 4.7043 7.2878 116.5420 56.8094 40.9255 172.9108 61 T 5.0195 8.5794 117.9847 61.5446 69.5501 173.3580 62 P 4.7699 0.0000 0.0000 61.9747 32.6100 176.1951 63 I 3.9526 7.9238 119.4338 64.7290 37.6561 177.0343 64 S 4.8736 7.7754 114.0574 57.1359 65.8696 173.1481 65 F 5.5156 9.3518 128.7556 56.6747 42.8876 173.1096 66 D 5.1243 7.6237 122.2289 52.4536 42.9934 173.9533 67 A 5.0071 9.1331 121.7578 50.3489 23.5270 175.0883 68 K 4.9932 9.4069 118.7974 54.7068 35.7418 175.5791 69 I 4.6974 8.7385 126.5224 58.5709 40.0204 173.8501 70 P 4.6836 0.0000 0.0000 62.6894 32.1491 178.0293 71 V 3.6571 8.5269 121.0064 65.3785 31.9159 178.0102 72 A 4.0626 8.2026 122.6048 55.3111 18.5910 179.2393 73 S 4.1056 8.0086 112.0939 62.2327 62.6199 176.9771 74 V 3.6980 7.4719 119.0005 65.9132 31.1690 176.8064 75 D 4.8070 8.0598 115.7946 54.0871 41.1254 176.7474 76 K 4.5606 8.3471 119.1070 56.0405 32.7859 175.7802 77 L 4.6650 7.6832 118.6057 54.1901 42.9215 176.9321 78 R 4.5116 8.5363 120.0808 54.7325 31.7380 175.9623 79 K 3.8922 8.5894 121.5714 58.3586 32.3030 176.1639 80 D 4.5367 8.9813 124.5740 54.9075 38.4483 173.3234 81 Q 4.7829 7.9273 117.8336 54.2262 31.2085 175.0686 82 D 5.0743 8.2859 117.2438 51.8002 42.0736 174.8771 83 L 4.4720 7.9232 122.4524 55.1128 42.0727 177.0110 84 I 3.9504 8.9404 128.9752 63.8058 37.8159 176.8568 85 L 4.7196 7.6345 120.6857 54.2535 45.3788 173.7565 86 G 4.6976 9.2978 112.6892 44.8668 0.0000 172.7070 87 T 5.4151 7.5259 108.4711 60.6540 70.3241 174.1420 88 L 4.8751 7.3991 121.6236 51.9798 45.6161 174.5150 89 P 3.6939 0.0000 0.0000 62.0435 32.1461 177.2759 90 A 3.8366 8.4779 123.3535 55.4243 18.3625 178.9676 91 N 4.2369 8.1716 111.7414 55.4446 37.1534 175.2452 92 S 4.4435 7.4251 112.8955 56.9022 64.2820 173.4989 93 E 3.9639 8.5399 123.2130 57.5857 30.1767 176.0923 94 D 4.3636 8.9157 124.6204 54.8240 39.0893 175.9035 95 A 4.1437 8.2517 121.4777 55.5300 18.1429 180.1003 96 G 3.1579 7.9931 103.1210 47.2359 0.0000 174.7911 97 A 4.4162 7.6775 120.3213 53.0320 19.2867 177.7332 98 R 4.1378 7.7405 115.2863 57.0077 33.8498 176.4744 99 G 4.1053 9.0255 106.5072 45.0851 0.0000 171.8515 100 L 5.1333 7.8035 121.2724 53.0672 44.7466 175.7289 101 F 5.0960 8.9233 123.9860 55.7153 43.2640 173.7534 102 V 4.6023 9.7065 125.0683 61.5614 32.9504 174.6361 103 R 5.3944 9.2661 127.1403 54.3409 33.8093 174.6659 104 A 5.2918 8.9622 123.6373 50.5635 22.4600 175.1021 105 N 5.0320 8.8351 119.1533 52.2177 39.4640 174.7547 106 D 4.4209 8.8844 115.9207 57.8379 41.2443 177.1848 107 D 4.5772 9.0213 118.5698 54.3299 42.4467 174.9465 108 G 4.0583 7.0523 105.4259 44.1617 0.0000 172.7946 109 L 5.2775 9.5993 126.3758 53.2764 44.8802 175.7178 110 Q 5.1379 9.2625 124.7236 54.1435 32.6191 174.2841 111 I 5.1568 9.1776 124.7260 59.7196 40.2903 174.5631 112 T 5.1287 8.6873 117.2363 59.8597 72.0273 173.2448 113 S 4.7504 9.1886 118.6596 56.7707 65.3108 173.4043 114 H 4.1433 9.9432 129.9861 57.3272 28.2549 175.5246 115 G 4.0356 8.1819 105.4659 44.9912 0.0000 172.6922 116 E 4.5314 7.7746 119.9797 54.2310 31.1867 175.0336 117 L 4.4838 8.4578 125.4045 55.0815 42.1446 176.1381 118 V 4.3109 8.7383 126.6924 63.2876 33.3909 175.2714 119 L 4.4623 7.5895 119.1039 54.5372 45.4138 173.1626 120 D 5.1097 8.7060 124.7403 53.3681 43.7461 173.9335 121 L 5.1064 9.0461 127.3416 52.7804 44.6770 177.1065 122 S 5.1457 8.9884 117.6458 56.8578 64.3500 175.1764 123 K 3.8529 8.7187 120.6756 59.8693 31.3232 179.4850 124 R 3.9209 7.8278 117.9455 59.2807 30.4130 177.8529 125 E 4.1228 8.0378 117.3126 59.2165 29.6888 178.8335 126 L 3.9500 8.0717 119.7697 57.8137 41.5471 179.4560 127 A 4.1232 7.8198 118.5825 54.4118 18.3952 178.6833 128 Q 4.2697 7.5288 114.2418 55.5881 29.4916 176.0880 129 L 4.3899 6.9433 119.9177 52.9253 42.9700 174.9843 130 P 4.2792 0.0000 0.0000 62.7895 31.8531 177.5223 131 A 4.0444 8.7446 124.7952 54.8305 18.3699 177.9505 132 D 4.8621 7.7851 113.3916 53.0766 40.3284 176.4903 133 A 4.3166 7.8216 121.2900 53.3948 20.0395 177.4473 134 T 5.0636 8.3035 114.8766 61.8196 72.5910 173.1530 135 I 4.8256 8.8790 126.7952 60.2209 39.2467 174.4767 136 A 5.1813 9.1069 129.0085 50.1516 21.6977 175.0357 137 I 5.0462 8.6561 122.9187 59.4946 41.1508 174.8070 138 S 4.9864 9.3302 120.5803 56.6869 65.3619 172.3620 139 A 5.0266 9.0959 130.9418 50.8228 20.3212 175.6491 140 T 4.8611 8.4100 112.4137 60.2360 72.3923 174.5575 141 E 3.7700 8.9402 120.9720 59.2855 29.8580 177.6710 142 D 4.5720 7.7240 117.1835 56.6666 41.5918 176.4180 143 E 5.0692 7.6448 113.4444 55.6865 33.1387 175.3092 144 T 5.2846 8.4480 113.3848 60.6543 71.7258 173.5485 145 T 5.8002 9.2153 112.4476 59.4114 72.4865 172.5303 146 A 5.6166 8.4420 124.0560 49.2037 23.5708 176.0251 147 G 3.7910 7.8764 104.7951 45.9664 0.0000 170.8077 148 I 4.4925 8.0125 121.1252 59.6616 37.7788 175.3319 149 E 4.0550 8.9844 127.6160 57.9923 29.6338 177.1358 150 G 3.9522 9.1807 114.1768 45.4244 0.0000 173.0010 151 D 4.7947 7.7862 120.0048 51.2164 41.1194 175.3610 152 D 4.4144 8.6088 124.7043 57.1695 41.1493 179.1954 153 S 4.4049 8.0379 110.4750 59.7127 63.3521 174.4897 154 T 4.3341 7.9281 111.0911 62.9393 69.7492 175.5105 155 T 4.3198 7.5137 119.3797 63.7185 69.2069 173.7228 156 E 4.7608 9.3048 125.4428 54.8346 32.7933 175.2204 157 T 4.8010 8.4055 119.8230 61.7855 71.9886 174.0067 158 V 3.8561 8.5400 128.5429 61.2735 32.0383 176.6803 159 E 4.5031 8.2588 133.7234 54.5400 28.4448 175.4700 160 R 4.5175 7.0562 113.9506 54.4983 32.8584 174.7626 161 D 4.4376 8.5165 118.0096 54.9353 40.7373 176.1390 162 V 4.5408 7.9581 121.8831 60.7772 33.1900 176.1870 163 R 4.0540 8.0870 119.1308 55.5476 30.4726 175.4379 164 P 4.6215 0.0000 0.0000 62.4900 32.2177 175.9233 165 I 4.1526 8.0874 121.2550 61.4326 38.1012 175.3319 166 I 4.6097 8.0107 126.0626 58.5128 41.5173 174.3473 *168 G 4.0493 8.0714 107.7815 46.3005 0.0000 170.7948 169 I 4.9880 7.6859 119.7389 59.6296 40.0693 174.9074 170 Y 4.8922 8.9756 124.1977 56.5994 41.4876 174.8832 171 T 5.0908 8.5935 118.0368 61.9307 73.5101 173.1091 172 E 4.8061 9.2726 119.8347 56.0833 31.6721 176.3047 173 L 4.5135 8.0653 119.6061 54.4499 42.5674 176.9794 174 E 4.0267 9.2629 123.0471 56.7907 30.2904 177.9093 175 S 4.2062 9.0768 121.0356 62.0125 62.9493 175.9957 176 N 4.6878 8.1249 113.0732 53.3090 37.2450 174.7438 177 A 4.4449 8.0955 121.1414 52.7295 19.0248 179.8586 178 A 3.9112 7.7688 120.0885 56.0986 18.3968 180.3113 179 A 3.9071 8.0042 118.4096 55.4903 18.4337 178.9856 180 D 4.3606 8.1349 116.4515 58.0494 40.9788 179.6773 181 L 4.1597 7.9660 118.8466 57.5369 41.6624 179.6371 182 L 3.9874 8.2292 119.3262 57.9188 41.3982 179.0615 183 N 4.3022 8.4030 115.4025 55.8446 38.4773 176.1389 184 A 4.5643 7.3173 118.3090 51.6416 19.2613 177.6496 185 G 3.8582 8.0516 106.5969 44.9519 0.0000 173.8312 186 L 4.7130 7.4456 121.6044 55.1763 42.5650 176.0849 187 N 4.9138 8.5533 122.0064 52.5317 42.4640 172.5217 188 A 5.0002 8.5975 126.6860 50.3225 22.2520 174.8596 189 H 4.7317 8.7587 121.2165 54.4402 33.2090 171.9875 190 V 4.7563 8.4721 125.7710 61.1653 33.5496 174.0672 191 E 4.5118 8.8390 129.3527 54.7457 31.2404 174.3273 192 I 4.7148 8.3426 127.8309 59.4848 39.5773 174.5389 193 N 4.6292 8.7419 126.2580 51.9771 39.6209 174.0268 194 S 3.6752 8.3289 119.7145 57.9613 63.3231 173.3774 195 R 4.0310 7.1639 121.5445 55.1321 30.5193 175.3723 196 F 5.2676 8.3582 123.5566 55.8769 42.0822 175.5256 197 T 4.2513 8.5145 111.5408 61.9559 68.6969 173.9042 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 39 Q 8.33 4.27 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 40 S 7.98 4.43 0.00 4.03 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 41 S 8.61 4.79 0.00 3.85 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 42 V 8.32 4.43 2.12 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 0.87 0.00 0.00 0.97 0.00 0.00 43 S 8.51 4.92 0.00 3.86 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 44 W 8.31 5.10 0.00 3.20 2.99 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 0.00 0.00 0.00 45 P 0.00 2.97 0.00 1.51 1.07 0.00 3.32 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 46 Q 7.44 4.56 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.21 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 47 N 9.65 4.22 0.00 2.80 2.85 0.00 0.00 6.97 7.65 0.00 0.00 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 G 8.27 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.81 4.68 0.00 3.80 3.77 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 50 L 8.33 4.03 0.00 1.74 1.86 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.02 4.54 0.00 2.82 2.86 0.00 0.00 6.92 7.09 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 52 S 8.60 4.42 0.00 3.88 3.77 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 53 V 7.80 4.58 2.18 0.00 0.00 0.00 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 1.06 0.00 0.00 54 S 8.60 4.48 0.00 3.88 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 55 A 8.06 4.79 1.24 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 0.00 0.00 0.00 56 P 0.00 4.40 0.00 2.24 2.10 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 2.03 1.98 0.00 57 L 8.22 4.20 0.00 1.73 1.77 0.99 1.03 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 *59 S 8.37 4.62 0.00 3.79 3.83 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 0.00 0.00 0.00 0.00 60 Y 7.29 4.70 0.00 3.03 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 61 T 8.58 5.02 4.30 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 1.24 0.00 0.00 62 P 0.00 4.77 0.00 2.66 2.30 0.00 4.02 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 63 I 7.92 3.95 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.81 0.93 0.00 0.00 64 S 7.78 4.87 0.00 3.87 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 65 F 9.35 5.52 0.00 3.13 2.80 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 66 D 7.62 5.12 0.00 2.77 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 67 A 9.13 5.01 1.23 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 0.00 0.00 68 K 9.41 4.99 0.00 1.70 1.68 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.50 7.81 69 I 8.74 4.70 1.90 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 1.26 0.80 0.94 0.00 0.00 70 P 0.00 4.68 0.00 2.18 1.98 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 71 V 8.53 3.66 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 0.94 0.00 0.00 0.94 0.00 0.00 72 A 8.20 4.06 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 73 S 8.01 4.11 0.00 3.90 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 74 V 7.47 3.70 2.20 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 0.84 0.00 0.00 0.95 0.00 0.00 75 D 8.06 4.81 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.56 0.00 1.85 1.77 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 77 L 7.68 4.67 0.00 1.54 1.70 0.94 1.00 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 78 R 8.54 4.51 0.00 1.80 1.85 0.00 3.38 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.58 0.00 79 K 8.59 3.89 0.00 1.77 1.76 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.51 7.81 80 D 8.98 4.54 0.00 2.88 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 81 Q 7.93 4.78 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 82 D 8.29 5.07 0.00 2.86 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 83 L 7.92 4.47 0.00 1.86 1.68 1.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.94 3.95 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 0.95 0.00 0.00 85 L 7.63 4.72 0.00 1.73 1.51 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 86 G 9.30 4.70 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 0.00 0.00 0.00 87 T 7.53 5.42 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 0.80 0.00 0.00 88 L 7.40 4.88 0.00 1.71 1.60 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 3.69 0.00 2.16 1.55 0.00 3.50 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 90 A 8.48 3.84 1.23 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 0.00 0.00 91 N 8.17 4.24 0.00 2.80 2.97 0.00 0.00 6.02 7.64 0.00 0.00 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 7.43 4.44 0.00 3.98 3.90 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 93 E 8.54 3.96 0.00 1.91 1.87 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 2.27 2.36 0.00 94 D 8.92 4.36 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.14 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 96 G 7.99 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 0.00 0.00 0.00 97 A 7.68 4.42 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 4.14 0.00 1.72 1.88 0.00 3.09 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 99 G 9.03 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 0.00 0.00 0.00 100 L 7.80 5.13 0.00 1.30 0.89 0.69 0.71 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 0.00 101 F 8.92 5.10 0.00 3.01 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 0.00 102 V 9.71 4.60 2.14 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 1.07 0.00 0.00 0.99 0.00 0.00 103 R 9.27 5.39 0.00 1.76 1.78 0.00 3.10 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 104 A 8.96 5.29 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 0.00 105 N 8.84 5.03 0.00 2.91 2.90 0.00 0.00 6.67 7.64 0.00 0.00 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 D 8.88 4.42 0.00 2.67 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 0.00 107 D 9.02 4.58 0.00 2.87 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 0.00 108 G 7.05 4.06 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 0.00 0.00 0.00 109 L 9.60 5.28 0.00 1.73 1.51 1.00 0.44 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 0.00 110 Q 9.26 5.14 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 111 I 9.18 5.16 1.90 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 1.33 1.07 0.94 0.00 0.00 112 T 8.69 5.13 4.31 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 1.24 0.00 0.00 113 S 9.19 4.75 0.00 3.80 3.72 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 0.00 114 H 9.94 4.14 0.00 3.35 3.29 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.18 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 0.00 116 E 7.77 4.53 0.00 2.04 1.87 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 2.60 2.39 0.00 117 L 8.46 4.48 0.00 1.60 1.60 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.74 4.31 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 1.02 0.00 0.00 119 L 7.59 4.46 0.00 1.78 1.45 0.94 1.10 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 0.00 120 D 8.71 5.11 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.05 5.11 0.00 1.59 1.53 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.99 5.15 0.00 4.02 3.99 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 0.00 0.00 0.00 123 K 8.72 3.85 0.00 1.79 1.94 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.54 1.65 7.81 124 R 7.83 3.92 0.00 1.81 1.95 0.00 3.24 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 125 E 8.04 4.12 0.00 2.21 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 0.00 2.52 2.35 0.00 126 L 8.07 3.95 0.00 1.90 1.78 0.93 0.77 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 0.00 127 A 7.82 4.12 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 0.00 128 Q 7.53 4.27 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 129 L 6.94 4.39 0.00 1.65 1.59 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.28 0.00 2.17 1.99 0.00 3.61 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 2.12 2.10 0.00 131 A 8.74 4.04 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 0.00 132 D 7.79 4.86 0.00 2.78 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 0.00 133 A 7.82 4.32 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 0.00 134 T 8.30 5.06 4.33 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 1.26 0.00 0.00 135 I 8.88 4.83 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.94 0.00 0.00 136 A 9.11 5.18 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 0.00 137 I 8.66 5.05 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.85 1.09 0.00 0.00 138 S 9.33 4.99 0.00 3.84 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 0.00 139 A 9.10 5.03 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 0.00 140 T 8.41 4.86 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 1.24 0.00 0.00 141 E 8.94 3.77 0.00 1.97 2.04 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 2.30 2.50 0.00 142 D 7.72 4.57 0.00 2.76 2.71 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 0.00 143 E 7.64 5.07 0.00 1.97 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 2.13 2.19 0.00 144 T 8.45 5.28 4.36 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 1.23 0.00 0.00 145 T 9.22 5.80 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 146 A 8.44 5.62 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 0.00 147 G 7.88 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 0.00 148 I 8.01 4.49 1.88 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 1.19 0.88 0.96 0.00 0.00 149 E 8.98 4.06 0.00 1.97 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 2.33 2.27 0.00 150 G 9.18 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 0.00 151 D 7.79 4.79 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.61 4.41 0.00 2.82 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 0.00 153 S 8.04 4.40 0.00 3.98 3.99 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 0.00 0.00 0.00 154 T 7.93 4.33 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 1.22 0.00 0.00 155 T 7.51 4.32 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 1.26 0.00 0.00 156 E 9.30 4.76 0.00 1.92 1.83 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 0.00 2.42 2.50 0.00 157 T 8.41 4.80 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 1.24 0.00 0.00 158 V 8.54 3.86 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 0.95 0.00 0.00 0.95 0.00 0.00 159 E 8.26 4.50 0.00 2.00 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 2.29 2.30 0.00 160 R 7.06 4.52 0.00 1.86 1.86 0.00 3.04 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 161 D 8.52 4.44 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.96 4.54 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 0.81 0.00 0.00 1.03 0.00 0.00 163 R 8.09 4.05 0.00 1.94 1.88 0.00 3.41 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 164 P 0.00 4.62 0.00 1.94 1.88 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 165 I 8.09 4.15 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.82 0.00 0.00 166 I 8.01 4.61 1.36 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 1.00 1.94 0.95 0.00 0.00 *168 G 8.07 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 0.00 0.00 0.00 169 I 7.69 4.99 1.76 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.00 0.94 0.00 0.00 170 Y 8.98 4.89 0.00 2.91 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 0.00 171 T 8.59 5.09 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 1.33 0.00 0.00 172 E 9.27 4.81 0.00 1.96 1.90 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 2.26 2.42 0.00 173 L 8.07 4.51 0.00 1.66 1.62 0.95 0.98 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 0.00 174 E 9.26 4.03 0.00 1.96 1.90 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 2.35 2.45 0.00 175 S 9.08 4.21 0.00 3.88 3.96 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 0.00 176 N 8.12 4.69 0.00 2.83 2.91 0.00 0.00 5.93 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 A 8.10 4.44 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 0.00 178 A 7.77 3.91 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 0.00 179 A 8.00 3.91 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 0.00 180 D 8.13 4.36 0.00 2.70 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 0.00 181 L 7.97 4.16 0.00 1.77 1.71 0.93 0.68 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 0.00 182 L 8.23 3.99 0.00 1.73 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 183 N 8.40 4.30 0.00 2.86 2.90 0.00 0.00 6.99 7.03 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 0.00 184 A 7.32 4.56 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 0.00 185 G 8.05 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 0.00 0.00 0.00 186 L 7.45 4.71 0.00 1.66 1.79 0.94 0.79 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 0.00 187 N 8.55 4.91 0.00 2.74 2.54 0.00 0.00 6.85 8.15 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 0.00 188 A 8.60 5.00 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 0.00 189 H 8.76 4.73 0.00 3.20 3.18 0.00 5.57 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 V 8.47 4.76 2.18 0.00 0.00 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 1.19 0.00 0.00 191 E 8.84 4.51 0.00 2.05 1.78 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 2.21 2.29 0.00 192 I 8.34 4.71 1.75 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.89 0.60 0.00 0.00 193 N 8.74 4.63 0.00 2.61 2.62 0.00 0.00 7.23 7.63 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 0.00 194 S 8.33 3.68 0.00 3.76 3.73 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 0.00 195 R 7.16 4.03 0.00 1.60 1.72 0.00 3.13 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 196 F 8.36 5.27 0.00 3.07 2.81 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 0.00 197 T 8.51 4.25 4.29 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.