NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.8960 8.3393 109.7249 45.8808 0.0000 173.4935 6 T 3.8294 8.2314 111.2156 60.5363 70.0501 171.5010 7 E 4.4716 7.6963 124.4501 54.8202 29.3358 176.4401 8 N 5.1357 7.3985 117.6492 50.4738 42.2550 175.5470 9 L 4.0609 8.5647 121.3105 57.6863 41.6688 179.5301 10 Y 3.8544 8.1793 116.7606 60.7855 37.9524 177.2821 11 F 4.0604 9.1610 122.0274 61.6169 39.3940 177.2297 12 Q 3.8225 8.0652 116.9284 58.8604 28.4870 178.6814 13 S 4.0111 8.2576 114.4274 61.3836 62.4293 175.6319 14 N 4.2114 8.3826 119.3521 56.6380 38.2685 177.2433 15 A 3.8574 7.7405 121.8885 54.9801 18.3584 179.0258 16 Y 4.0164 8.1963 118.3200 60.9447 38.9074 178.3312 17 R 3.7333 8.1615 118.7583 59.3334 30.1385 178.9407 18 A 3.9895 7.9543 120.1906 55.0962 18.4058 179.6298 19 L 3.8910 8.1004 117.8239 57.8623 41.4915 179.5357 20 F 3.8651 8.0210 119.5455 61.2048 39.3578 176.5013 21 E 3.9703 7.9661 117.5169 59.1257 29.6140 177.6243 22 H 4.6607 7.9966 112.7619 54.7064 29.8877 175.4157 23 A 4.1060 7.4039 124.4900 52.4506 18.7913 177.8947 24 I 3.9466 8.2659 122.4180 64.1242 37.7110 176.8939 25 D 4.5814 7.8753 118.5751 53.9596 41.6535 176.8765 26 G 3.8927 8.9482 109.2661 46.4480 0.0000 172.7012 27 I 5.4362 8.9222 123.8539 59.3024 41.3310 174.5003 28 F 5.6768 9.1513 120.6141 55.5508 42.0889 173.2691 29 I 5.4420 9.2096 120.2156 58.5490 41.6006 174.0369 *31 D 4.5079 8.3370 121.4799 52.9363 40.1427 176.1997 32 A 3.9005 8.3897 120.9972 54.8699 18.2737 178.2019 33 E 4.1195 8.2043 113.0142 56.6170 30.1552 177.1437 34 G 3.7502 8.2520 108.2300 45.5158 0.0000 172.7028 35 H 5.0306 7.8884 116.6054 54.4259 29.2139 174.9745 36 Y 4.3619 8.5630 122.8575 58.5804 37.5635 175.8990 37 L 4.6872 9.2457 124.1455 56.0075 43.9113 176.2823 38 D 4.9220 7.9967 115.7978 53.3892 44.8382 174.5699 39 V 5.0542 8.3443 115.7727 59.9395 35.9593 174.5959 40 N 4.1418 8.4857 122.5933 51.0677 39.0437 174.4108 41 P 4.1758 0.0000 0.0000 65.6061 31.1821 178.5890 42 A 3.9361 7.8375 118.9855 55.4257 18.3048 179.4402 43 I 3.7115 7.8448 116.4329 64.2001 38.1330 177.6991 44 C 4.6072 7.9388 118.8690 62.4846 27.7719 176.2945 45 S 4.1137 8.1384 115.4062 61.4621 62.5050 176.3206 46 A 4.1180 8.0525 122.4087 55.1906 18.4396 179.2391 47 I 4.0604 8.1162 117.4126 61.6249 37.2879 177.9008 48 G 3.8928 8.1746 107.1772 45.3759 0.0000 172.5534 49 Y 4.7954 7.3207 117.0181 56.2665 39.8536 175.6351 50 T 4.4030 8.8997 114.3811 61.0900 71.1502 175.8036 51 R 4.0116 8.6342 121.1136 60.1051 29.7918 178.3052 52 D 4.4431 8.1096 116.7129 57.2615 41.2725 178.1936 53 E 4.1318 8.3244 119.3368 59.3242 29.4691 179.0840 54 F 3.8335 8.6448 121.1093 61.1606 39.3047 176.7671 55 L 4.4317 8.2270 115.9058 56.4583 41.4761 177.3029 56 A 4.5626 7.8302 120.4718 51.7884 19.6240 176.6839 57 L 4.8341 7.9777 117.1086 53.2508 44.1077 175.3415 58 D 5.5430 8.2828 119.4556 51.7387 43.6561 175.7700 59 W 4.5449 8.8735 131.4125 59.4810 31.0990 175.7310 60 G 4.1641 8.9680 113.1776 46.1081 0.0000 176.0775 61 V 3.5580 8.2286 119.7682 65.9699 31.8782 178.0691 62 L 4.0648 8.1882 119.6141 57.3022 41.5450 178.5460 63 S 5.2253 7.8702 108.8520 56.4236 63.5995 173.8346 64 R 3.6882 7.6970 118.6230 58.3528 27.7334 176.6977 65 G 4.1930 8.4644 102.1277 45.4853 0.0000 175.5214 66 V 3.7309 7.6838 120.2357 65.3901 32.0956 177.7514 67 D 4.4111 8.1990 119.4754 57.5189 40.8008 178.5291 68 S 4.1680 8.0152 111.7213 59.3671 63.3331 175.2763 69 G 3.9871 8.5140 109.8551 45.6283 0.0000 175.0346 70 W 4.1298 8.4032 130.0371 60.4257 30.5577 177.6003 71 A 3.5080 8.6255 120.6729 55.0936 17.8903 179.4939 72 A 3.9140 7.9902 118.5146 55.1690 18.5871 179.5778 73 A 3.8829 8.1601 119.7021 55.2620 18.4378 180.0646 74 S 3.8797 7.8699 113.1606 61.3621 62.9219 176.2976 75 L 3.5948 8.1295 124.1386 57.7135 41.8030 178.8228 76 A 3.9235 7.9228 120.5892 55.2007 18.2781 179.8621 77 R 3.8340 7.8783 116.4515 59.3019 30.0693 179.3370 78 I 3.9365 7.6972 120.9941 64.0867 36.9446 179.0204 79 V 3.7023 7.8419 111.7618 63.6811 31.4233 178.2716 80 G 3.7727 7.7731 104.2420 45.5793 0.0000 174.3993 81 G 3.9801 7.9616 109.3021 44.8402 0.0000 172.6377 82 E 4.5212 8.2103 122.2054 53.9520 30.8468 173.9568 83 P 4.4879 0.0000 0.0000 62.8549 32.5730 175.2631 84 L 4.5657 8.4540 124.4572 54.1173 43.9544 175.5537 85 R 5.0288 8.5131 125.9720 55.4619 32.4314 173.4033 86 E 4.8447 9.3433 127.2864 54.9467 33.7015 173.7208 87 E 4.8968 8.8480 126.2938 56.1798 30.6448 176.1932 88 R 4.5515 8.9026 122.3043 54.4145 34.9807 174.6426 89 T 4.2627 8.2077 119.1638 63.5413 69.7103 174.0432 90 V 4.8871 8.4363 119.0702 59.2627 35.8157 174.4092 91 W 5.0995 9.0044 123.0605 54.9723 31.3359 176.4275 92 T 4.2336 8.9534 115.2850 60.6986 69.3994 175.3988 93 R 3.3777 7.9466 122.3018 59.5335 29.7176 177.1215 94 N 4.4321 7.8296 111.5057 53.8976 38.7679 175.7705 95 G 4.0826 8.2304 107.2644 45.2559 0.0000 173.7408 96 D 4.5627 7.9442 119.5979 54.1113 41.5252 175.0002 97 Q 4.5116 8.1757 120.4456 54.2808 30.5018 175.0406 98 L 4.7684 8.5577 122.5694 53.1556 46.2367 175.3736 99 T 4.8009 8.3127 117.4823 62.0230 70.2873 174.3568 100 V 4.6200 8.6440 119.6104 59.3656 35.9599 174.5051 101 E 4.6057 9.4470 125.9563 55.4350 30.7598 174.7742 102 L 5.3022 9.1334 128.4005 53.6575 43.8278 176.0156 103 S 5.8988 9.6404 119.1742 56.0273 66.8512 173.0322 104 A 5.0581 8.1420 123.0967 51.0146 22.7594 174.7653 105 H 5.1082 9.1743 117.9732 53.7321 33.5658 172.8200 106 L 4.4354 8.5346 124.2538 55.1761 42.8132 176.2407 107 L 4.5275 8.8843 125.6844 52.8104 43.3939 176.1512 108 P 4.1411 0.0000 0.0000 65.3779 31.3762 177.2202 109 D 4.5648 8.0072 115.3098 53.0481 39.5588 177.2146 110 G 3.8705 8.1223 109.4570 45.1849 0.0000 173.9859 111 K 4.2779 7.8012 118.8820 56.4230 33.8947 175.7532 112 I 4.8389 7.9675 120.6111 59.5301 40.9902 174.3726 113 L 4.7458 8.9519 129.3841 53.5299 43.6380 175.3922 114 G 3.5145 8.6698 113.2120 44.0047 0.0000 171.6839 115 I 5.2679 8.7479 121.6485 59.1121 41.4911 174.3152 116 A 5.3303 9.3619 128.0975 50.3885 21.5944 175.2437 117 R 4.9095 8.9388 121.4482 54.0794 34.3011 176.1611 118 D 4.5003 8.6886 120.3502 54.8470 40.8192 176.4689 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 5 G 8.34 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 0.00 0.00 0.00 6 T 8.23 3.83 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 0.54 0.00 0.00 7 E 7.70 4.47 0.00 1.96 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 2.22 2.21 0.00 8 N 7.40 5.14 0.00 3.09 2.94 0.00 0.00 6.12 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.56 4.06 0.00 1.45 1.55 0.84 0.85 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 10 Y 8.18 3.85 0.00 3.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 9.16 4.06 0.00 3.15 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 12 Q 8.07 3.82 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.79 0.00 13 S 8.26 4.01 0.00 3.74 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 14 N 8.38 4.21 0.00 2.72 2.76 0.00 0.00 6.97 7.04 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 15 A 7.74 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.20 4.02 0.00 2.99 3.10 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 0.00 0.00 0.00 0.00 17 R 8.16 3.73 0.00 2.05 1.96 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 18 A 7.95 3.99 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 19 L 8.10 3.89 0.00 1.78 1.72 0.97 1.18 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 20 F 8.02 3.87 0.00 2.15 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 21 E 7.97 3.97 0.00 1.94 1.84 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 2.04 2.00 0.00 22 H 8.00 4.66 0.00 3.23 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.40 4.11 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 24 I 8.27 3.95 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 1.41 0.57 0.91 0.00 0.00 25 D 7.88 4.58 0.00 2.57 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 26 G 8.95 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 0.00 0.00 0.00 27 I 8.92 5.44 1.61 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 1.19 0.00 0.00 28 F 9.15 5.68 0.00 3.41 3.05 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 29 I 9.21 5.44 1.96 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 1.10 2.04 0.94 0.00 0.00 *31 D 8.34 4.51 0.00 2.91 2.87 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 32 A 8.39 3.90 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 33 E 8.20 4.12 0.00 2.01 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 2.29 2.33 0.00 34 G 8.25 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 35 H 7.89 5.03 0.00 3.46 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.56 4.36 0.00 3.21 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 37 L 9.25 4.69 0.00 1.62 1.74 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.00 4.92 0.00 2.73 2.58 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 39 V 8.34 5.05 1.56 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 -0.11 0.00 0.00 0.79 0.00 0.00 40 N 8.49 4.14 0.00 1.86 1.42 0.00 0.00 6.78 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 41 P 0.00 4.18 0.00 2.10 2.11 0.00 3.48 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 2.13 0.00 42 A 7.84 3.94 1.33 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 0.00 0.00 43 I 7.84 3.71 1.96 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 1.79 1.42 0.76 0.00 0.00 44 C 7.94 4.61 0.00 3.24 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 45 S 8.14 4.11 0.00 3.95 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 46 A 8.05 4.12 1.33 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 0.00 0.00 47 I 8.12 4.06 2.03 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 1.84 1.17 0.94 0.00 0.00 48 G 8.17 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 49 Y 7.32 4.80 0.00 2.73 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 50 T 8.90 4.40 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 1.26 0.00 0.00 51 R 8.63 4.01 0.00 1.98 2.06 0.00 3.28 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 52 D 8.11 4.44 0.00 2.74 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 53 E 8.32 4.13 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 54 F 8.64 3.83 0.00 3.29 2.82 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 55 L 8.23 4.43 0.00 1.87 1.79 1.11 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.83 4.56 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 57 L 7.98 4.83 0.00 1.83 1.57 0.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.28 5.54 0.00 2.87 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 59 W 8.87 4.54 0.00 3.10 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 60 G 8.97 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 61 V 8.23 3.56 2.17 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 0.89 0.00 0.00 1.03 0.00 0.00 62 L 8.19 4.06 0.00 1.83 1.75 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.87 5.23 0.00 3.71 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 64 R 7.70 3.69 0.00 1.66 1.72 0.00 2.21 0.00 0.00 2.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.26 0.00 65 G 8.46 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 66 V 7.68 3.73 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 1.09 0.00 0.00 0.99 0.00 0.00 67 D 8.20 4.41 0.00 2.69 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 68 S 8.02 4.17 0.00 4.05 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 69 G 8.51 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 0.00 0.00 0.00 70 W 8.40 4.13 0.00 3.48 3.44 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 71 A 8.63 3.51 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 72 A 7.99 3.91 1.33 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 0.00 0.00 73 A 8.16 3.88 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 74 S 7.87 3.88 0.00 3.85 3.36 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 0.00 75 L 8.13 3.59 0.00 1.87 1.83 0.51 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.92 3.92 1.36 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 0.00 0.00 0.00 77 R 7.88 3.83 0.00 1.96 1.96 0.00 3.51 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 78 I 7.70 3.94 1.77 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.72 0.00 0.00 79 V 7.84 3.70 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 0.68 0.00 0.00 0.93 0.00 0.00 80 G 7.77 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 0.00 0.00 0.00 81 G 7.96 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 0.00 0.00 0.00 82 E 8.21 4.52 0.00 2.07 1.94 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 2.26 2.25 0.00 83 P 0.00 4.49 0.00 2.10 2.07 0.00 3.81 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 2.00 1.99 0.00 84 L 8.45 4.57 0.00 1.85 1.67 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.51 5.03 0.00 1.85 1.83 0.00 3.34 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 86 E 9.34 4.84 0.00 2.25 1.98 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 2.31 2.42 0.00 87 E 8.85 4.90 0.00 1.89 1.84 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 2.32 2.36 0.00 88 R 8.90 4.55 0.00 1.47 1.41 0.00 2.73 0.00 0.00 2.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.34 0.00 89 T 8.21 4.26 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 0.26 0.00 0.00 90 V 8.44 4.89 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 0.90 0.00 0.00 91 W 9.00 5.10 0.00 3.25 2.98 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 92 T 8.95 4.23 4.23 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 1.20 0.00 0.00 93 R 7.95 3.38 0.00 0.67 1.58 0.00 3.26 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 94 N 7.83 4.43 0.00 2.69 2.80 0.00 0.00 7.10 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 95 G 8.23 4.08 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 0.00 0.00 0.00 96 D 7.94 4.56 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.18 4.51 0.00 1.67 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 1.16 2.14 0.00 98 L 8.56 4.77 0.00 1.36 1.40 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.31 4.80 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 1.15 0.00 0.00 100 V 8.64 4.62 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 0.72 0.00 0.00 1.00 0.00 0.00 101 E 9.45 4.61 0.00 2.03 1.89 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 2.34 2.34 0.00 102 L 9.13 5.30 0.00 2.04 2.03 1.10 0.86 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 0.00 103 S 9.64 5.90 0.00 3.79 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 0.00 104 A 8.14 5.06 1.05 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 0.00 105 H 9.17 5.11 0.00 3.02 3.10 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.53 4.44 0.00 1.57 1.51 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.88 4.53 0.00 1.61 1.47 0.81 0.90 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 0.00 108 P 0.00 4.14 0.00 1.99 2.07 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 109 D 8.01 4.56 0.00 2.73 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 0.00 110 G 8.12 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 0.00 111 K 7.80 4.28 0.00 1.73 1.70 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.46 7.81 112 I 7.97 4.84 1.65 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.13 0.69 0.00 0.00 113 L 8.95 4.75 0.00 1.66 1.46 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.67 3.51 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 0.00 0.00 0.00 115 I 8.75 5.27 1.93 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 1.17 0.79 1.03 0.00 0.00 116 A 9.36 5.33 1.43 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 0.00 0.00 0.00 117 R 8.94 4.91 0.00 1.77 1.82 0.00 3.26 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.63 0.00 118 D 8.69 4.50 0.00 2.67 2.58 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 * Residues marked with a * may have inaccurate shift predictions.