NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3549 8.1749 115.5107 61.7691 67.1200 173.7824 2 W 3.9655 7.9688 121.7068 56.0467 30.3632 176.0414 3 G 4.0894 8.3304 109.3223 46.2217 0.0000 171.9073 4 V 5.2533 8.6637 119.2009 61.2223 35.1742 174.4355 5 S 4.8489 9.5414 121.8831 56.7710 65.2224 172.7261 6 S 5.2878 8.7686 120.7666 55.6478 65.9841 172.0931 7 P 4.4114 0.0000 0.0000 62.9688 31.8310 177.1475 8 K 4.1756 8.7885 121.9165 59.3351 33.2176 176.2148 9 N 5.7037 8.0065 114.3258 51.6688 42.9154 174.2628 10 V 4.6049 8.8046 120.5189 61.5012 35.5859 173.8607 11 Q 5.1222 8.6519 123.7745 54.4423 32.4333 174.8230 12 G 4.2586 8.8611 107.6724 45.1366 0.0000 171.8869 13 L 4.9774 8.3812 121.3811 53.0881 43.5418 176.5232 14 S 4.2627 8.9151 118.4207 60.0527 62.7580 174.4063 15 G 3.9724 9.0811 116.2854 45.3216 0.0000 173.4495 16 S 4.6823 7.8772 114.8498 57.5814 64.4325 172.2415 17 C 5.2339 8.4263 116.1941 56.2997 32.0052 173.0499 18 L 4.7493 9.1495 122.1394 53.2731 45.3048 174.5551 19 L 4.9429 8.5280 127.1867 53.3775 44.4355 175.4834 20 I 4.3745 8.7222 128.1289 58.6811 38.5599 173.3280 21 P 4.8321 0.0000 0.0000 63.2750 32.2602 176.4103 22 C 5.3108 9.7226 120.9165 55.8345 46.3414 172.5507 23 I 5.3235 8.7469 118.4242 59.4997 41.3121 173.5452 24 F 5.4707 8.2479 117.5968 56.1995 41.5541 172.9783 25 S 4.4365 9.3131 112.6684 57.9664 66.3163 172.7781 26 Y 4.2085 7.3190 116.6062 54.9249 40.4268 172.3852 27 P 3.9385 0.0000 0.0000 63.0227 31.8167 177.6061 28 A 3.9014 8.4490 125.3668 54.6369 18.4346 177.6841 29 D 4.6424 7.8870 113.4103 53.2563 39.9230 176.3011 30 V 3.9872 7.6093 121.3769 61.5581 31.8655 173.9490 31 P 4.4716 0.0000 0.0000 62.7733 31.9099 176.6931 32 V 4.2646 8.1275 121.2917 61.3413 30.9973 174.9072 33 S 4.6871 8.2353 117.6606 58.5002 63.6511 174.4373 34 N 4.9313 7.5255 117.6600 52.7454 39.8365 175.6994 35 G 3.9320 8.4091 108.8141 44.6822 0.0000 172.8591 36 I 4.8132 8.0414 118.2312 59.7833 40.3195 175.6987 37 T 4.3680 8.8767 124.2438 62.9461 69.9407 173.5504 38 A 5.0939 9.1422 128.2018 50.2641 22.0512 175.5734 39 I 4.8258 8.0605 122.2872 59.3914 41.6959 174.1917 40 W 5.2552 9.0445 126.6419 55.1655 31.8569 174.4800 41 Y 5.3426 9.3514 121.6006 56.4491 41.1832 173.8313 42 Y 4.4274 9.3373 124.3634 56.2832 41.1046 175.0710 43 D 4.3330 8.3644 125.9558 53.3383 40.2120 173.6661 44 Y 4.1148 8.0764 118.8726 60.3382 38.1131 178.3940 45 S 3.9248 6.9088 111.5788 58.1473 65.2363 174.2284 46 G 3.6069 8.2474 109.1815 45.9771 0.0000 174.9926 47 K 3.9997 6.0274 125.0335 57.0262 33.6847 176.9549 48 R 3.8410 7.8275 117.9807 57.2162 28.3641 175.3271 49 Q 4.6747 8.2062 117.4617 55.1553 31.3651 177.2248 50 V 4.1567 8.5374 123.3119 63.0947 32.2942 176.2687 51 V 3.6301 8.7654 128.3481 64.4399 32.7559 176.2560 52 I 4.7636 7.4629 119.4753 60.0311 42.1490 174.1612 53 H 5.0192 8.7219 125.8326 54.8575 31.7628 173.6186 54 S 4.2826 9.1396 122.8945 61.0821 63.0367 176.2623 55 G 3.6589 8.3675 108.6418 47.8851 0.0000 172.6712 56 D 4.4051 7.7686 112.9205 52.7645 43.3408 174.3220 57 P 4.3625 0.0000 0.0000 64.9064 31.3421 178.6259 58 K 4.2361 7.9035 118.9978 58.6127 32.1189 177.3618 59 L 4.2349 7.7269 117.2058 56.0493 41.9822 177.3727 60 V 3.9321 7.8663 120.1938 62.3355 32.1512 175.4998 61 D 4.6221 9.1492 127.6851 54.2275 41.4948 177.6727 62 K 3.9685 8.8722 122.4779 59.6581 32.1937 179.2177 63 R 3.9577 7.8971 112.9263 57.7060 29.7263 176.7809 64 F 4.8396 8.0166 116.7542 57.3564 40.4136 175.8865 65 R 4.2362 7.6507 121.0578 57.4246 30.1340 177.5571 66 G 4.0039 8.9609 109.4042 46.0072 0.0000 173.8278 67 R 4.7169 8.1156 116.9954 55.7507 32.3007 175.3343 68 A 5.2685 7.9650 120.3086 50.1138 22.1914 175.2086 69 E 4.7172 9.3352 119.0303 54.5707 33.7364 174.0229 70 L 4.5297 8.5712 123.9129 54.3223 42.8981 177.0290 71 M 4.7682 8.6798 129.5262 55.0540 31.2089 176.5533 72 G 4.2844 7.8763 105.3529 42.5348 0.0000 171.9679 73 N 4.6791 8.5452 121.8899 51.9826 38.9390 175.3352 74 M 4.3456 8.6921 127.0680 58.4789 32.4101 178.6820 75 D 4.3443 8.2390 117.1972 56.9633 41.5234 176.1847 76 H 4.6919 8.1334 113.6687 54.6298 29.2291 174.7536 77 K 2.6307 7.4524 118.0634 57.4109 29.8141 174.9006 78 V 4.7977 7.6639 117.8191 60.8324 34.2029 173.3206 79 C 5.1900 9.0128 122.2956 54.9025 42.6259 173.6176 80 N 4.5789 8.4259 116.2538 54.9715 39.3069 173.2573 81 L 4.6833 8.7228 125.1677 52.9677 44.8315 174.4552 82 L 4.8825 8.7032 128.6529 53.3166 44.4373 174.6597 83 L 4.9982 9.0708 127.0636 53.1968 43.4512 176.1380 84 K 4.5123 9.5142 124.9234 54.5043 34.1890 176.0718 85 D 4.4175 8.4369 118.9359 54.8820 39.4334 173.6708 86 L 4.2923 8.3878 121.1721 55.2631 43.1084 177.3692 87 K 4.9207 9.1621 120.7574 53.7392 36.0278 175.6400 88 P 4.3631 0.0000 0.0000 65.8861 31.3263 178.1167 89 E 4.2472 8.0052 113.3289 57.9260 29.7985 177.0892 90 D 4.5986 8.3691 119.2723 55.6054 41.3038 176.9629 91 S 4.5444 7.9535 116.4161 57.5699 63.7284 175.2402 92 G 3.8494 7.5422 110.9749 45.7141 0.0000 170.5496 93 T 5.2094 7.4893 109.7344 60.2487 71.5761 173.0634 94 Y 5.1145 9.5511 122.1815 56.4172 41.3531 174.3358 95 N 5.5182 9.7218 121.0167 51.5381 42.5712 173.3390 96 F 4.4348 8.5143 125.4043 56.9038 41.5322 174.1968 97 R 4.8189 7.5756 124.6825 54.2677 33.6563 173.6518 98 F 5.1497 8.2057 119.9832 54.9008 41.5867 173.6653 99 E 4.8166 8.9330 119.7522 55.0955 32.1447 176.3605 100 I 4.1287 8.9802 125.7794 62.5232 38.8037 175.5912 101 S 4.6069 7.6487 111.2966 56.6441 65.8607 173.1608 102 D 4.4870 8.8691 120.1999 57.2373 40.6266 177.5404 103 S 4.4384 7.9269 110.5294 59.1913 64.3452 174.3127 104 N 4.6371 7.9657 120.9104 51.5103 36.8084 173.5592 105 R 4.9483 6.9847 116.6854 54.4718 33.8141 174.6424 106 W 4.4357 8.1203 127.4206 56.0598 34.6287 172.6368 107 L 4.8981 7.1231 127.8845 52.7494 44.0481 175.3996 108 D 4.6190 8.7479 126.9028 54.3289 41.6378 176.4909 109 V 3.6281 8.3400 126.0616 63.8550 31.5515 176.9684 110 K 3.9754 7.7080 120.3536 55.0537 32.4857 178.7602 111 G 4.2509 9.2171 106.7786 45.9105 0.0000 172.1625 112 T 4.9514 8.8991 115.2214 61.1485 71.5597 173.8220 113 T 5.0410 8.7404 123.0846 62.4836 70.4457 173.9442 114 V 4.8059 9.3429 127.3150 61.8559 34.0508 174.7242 115 T 4.8698 8.5823 122.9193 61.8938 71.8128 172.8278 116 V 4.8846 8.7168 127.5855 61.5863 33.0158 175.1227 117 T 4.5811 8.9345 117.8491 60.2965 71.4626 175.0924 118 T 3.6898 8.7899 122.1939 67.2038 69.0975 175.1387 *119 D 4.4415 7.8247 123.7598 53.4775 40.5341 177.4291 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 1 T 8.17 4.35 4.20 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 1.05 0.00 0.00 2 W 7.97 3.97 0.00 2.07 1.74 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 3 G 8.33 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.66 5.25 2.40 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 1.00 0.00 0.00 1.50 0.00 0.00 5 S 9.54 4.85 0.00 3.92 3.70 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 6 S 8.77 5.29 0.00 4.16 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 7 P 0.00 4.41 0.00 2.45 2.27 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 8 K 8.79 4.18 0.00 1.92 1.89 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.53 7.81 9 N 8.01 5.70 0.00 2.61 2.67 0.00 0.00 6.57 7.68 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 10 V 8.80 4.60 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 0.92 0.00 0.00 0.93 0.00 0.00 11 Q 8.65 5.12 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 12 G 8.86 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 0.00 0.00 0.00 0.00 13 L 8.38 4.98 0.00 1.61 1.58 0.92 0.81 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 14 S 8.92 4.26 0.00 3.85 3.78 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 15 G 9.08 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 0.00 0.00 0.00 16 S 7.88 4.68 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 17 C 8.43 5.23 0.00 3.11 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 18 L 9.15 4.75 0.00 1.63 1.40 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.53 4.94 0.00 1.59 1.46 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.72 4.37 1.44 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.18 0.88 0.00 0.00 21 P 0.00 4.83 0.00 2.09 2.05 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 22 C 9.72 5.31 0.00 3.21 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 23 I 8.75 5.32 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.87 0.00 0.00 24 F 8.25 5.47 0.00 3.04 2.94 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 25 S 9.31 4.44 0.00 3.53 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 26 Y 7.32 4.21 0.00 1.43 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 0.00 0.00 0.00 27 P 0.00 3.94 0.00 2.16 2.01 0.00 2.65 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 28 A 8.45 3.90 1.17 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 0.00 0.00 29 D 7.89 4.64 0.00 2.80 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 30 V 7.61 3.99 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 0.90 0.00 0.00 1.14 0.00 0.00 31 P 0.00 4.47 0.00 2.25 2.07 0.00 3.84 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 2.04 1.99 0.00 32 V 8.13 4.26 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 0.91 0.00 0.00 1.07 0.00 0.00 33 S 8.24 4.69 0.00 3.91 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 34 N 7.53 4.93 0.00 2.64 2.76 0.00 0.00 7.00 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 35 G 8.41 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 36 I 8.04 4.81 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 1.05 0.00 0.00 37 T 8.88 4.37 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 1.16 0.00 0.00 38 A 9.14 5.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.06 4.83 1.44 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.27 0.19 0.00 0.00 40 W 9.04 5.26 0.00 3.28 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 41 Y 9.35 5.34 0.00 3.06 2.88 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 0.00 0.00 0.00 42 Y 9.34 4.43 0.00 2.77 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 43 D 8.36 4.33 0.00 1.77 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 0.00 0.00 0.00 0.00 44 Y 8.08 4.11 0.00 2.87 3.01 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 45 S 6.91 3.92 0.00 3.56 2.83 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 46 G 8.25 3.61 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 0.00 0.00 0.00 47 K 6.03 4.00 0.00 1.91 1.97 0.00 2.20 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.64 7.81 48 R 7.83 3.84 0.00 1.98 1.92 0.00 2.87 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 49 Q 8.21 4.67 0.00 2.48 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 50 V 8.54 4.16 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 0.98 0.00 0.00 1.05 0.00 0.00 51 V 8.77 3.63 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 0.40 0.00 0.00 0.45 0.00 0.00 52 I 7.46 4.76 2.11 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 1.23 0.94 1.10 0.00 0.00 53 H 8.72 5.02 0.00 3.13 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.14 4.28 0.00 3.96 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 55 G 8.37 3.66 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 0.00 0.00 0.00 56 D 7.77 4.41 0.00 2.81 2.39 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 57 P 0.00 4.36 0.00 2.28 2.35 0.00 3.77 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 2.09 1.99 0.00 58 K 7.90 4.24 0.00 1.76 2.13 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.42 7.81 59 L 7.73 4.23 0.00 1.71 1.70 0.72 0.67 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 60 V 7.87 3.93 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 0.94 0.00 0.00 1.03 0.00 0.00 61 D 9.15 4.62 0.00 3.25 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 62 K 8.87 3.97 0.00 1.77 1.87 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.39 7.81 63 R 7.90 3.96 0.00 1.63 1.86 0.00 2.65 0.00 0.00 2.97 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.51 0.00 64 F 8.02 4.84 0.00 3.29 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 65 R 7.65 4.24 0.00 1.78 1.91 0.00 3.28 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 66 G 8.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 4.72 0.00 1.87 2.14 0.00 3.07 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 68 A 7.96 5.27 1.16 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 69 E 9.34 4.72 0.00 1.96 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 2.17 2.25 0.00 70 L 8.57 4.53 0.00 1.80 1.70 1.27 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.68 4.77 0.00 1.90 2.01 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 2.51 2.58 0.00 72 G 7.88 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 0.00 0.00 0.00 0.00 73 N 8.55 4.68 0.00 2.72 2.73 0.00 0.00 7.19 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 74 M 8.69 4.35 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.61 0.00 75 D 8.24 4.34 0.00 2.54 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 H 8.13 4.69 0.00 3.13 3.20 0.00 5.88 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.45 2.63 0.00 1.48 1.03 0.00 1.16 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.48 0.94 7.81 78 V 7.66 4.80 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 1.06 0.00 0.00 0.90 0.00 0.00 79 C 9.01 5.19 0.00 1.62 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 0.00 0.00 0.00 80 N 8.43 4.58 0.00 2.90 2.81 0.00 0.00 6.47 6.74 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 81 L 8.72 4.68 0.00 0.50 0.53 0.62 -0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.70 4.88 0.00 1.71 1.60 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.07 5.00 0.00 1.46 1.51 0.50 0.80 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 84 K 9.51 4.51 0.00 1.61 1.72 0.00 1.79 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.39 7.81 85 D 8.44 4.42 0.00 2.69 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 86 L 8.39 4.29 0.00 1.86 1.60 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.16 4.92 0.00 1.78 1.74 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.54 7.81 88 P 0.00 4.36 0.00 2.17 2.14 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 89 E 8.01 4.25 0.00 2.00 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 2.20 2.17 0.00 90 D 8.37 4.60 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.54 0.00 4.08 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 92 G 7.54 3.85 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 0.00 0.00 0.00 93 T 7.49 5.21 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 1.24 0.00 0.00 94 Y 9.55 5.11 0.00 3.07 3.17 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 95 N 9.72 5.52 0.00 2.74 2.62 0.00 0.00 6.25 8.98 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 96 F 8.51 4.43 0.00 1.51 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 0.00 0.00 0.00 0.00 97 R 7.58 4.82 0.00 1.68 1.54 0.00 3.07 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.40 0.00 98 F 8.21 5.15 0.00 2.83 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.82 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 2.07 2.11 0.00 100 I 8.98 4.13 2.10 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.94 0.00 0.00 101 S 7.65 4.61 0.00 3.94 3.84 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 0.00 102 D 8.87 4.49 0.00 2.64 2.76 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 0.00 103 S 7.93 4.44 0.00 3.97 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 0.00 104 N 7.97 4.64 0.00 2.93 3.26 0.00 0.00 6.33 7.15 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 0.00 105 R 6.98 4.95 0.00 1.55 1.71 0.00 3.06 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.39 0.00 106 W 8.12 4.44 0.00 3.01 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 0.00 0.00 0.00 107 L 7.12 4.90 0.00 1.31 1.04 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.75 4.62 0.00 2.86 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 0.00 109 V 8.34 3.63 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 0.82 0.00 0.00 0.90 0.00 0.00 110 K 7.71 3.98 0.00 2.11 1.89 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.53 7.81 111 G 9.22 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 0.00 0.00 0.00 0.00 112 T 8.90 4.95 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 113 T 8.74 5.04 4.61 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 1.32 0.00 0.00 114 V 9.34 4.81 2.39 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 1.00 0.00 0.00 0.70 0.00 0.00 115 T 8.58 4.87 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 116 V 8.72 4.88 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 0.79 0.00 0.00 1.05 0.00 0.00 117 T 8.93 4.58 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 1.23 0.00 0.00 118 T 8.79 3.69 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 1.21 0.00 0.00 *119 D 7.82 4.44 0.00 2.44 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 * Residues marked with a * may have inaccurate shift predictions.