NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.3768 8.3027 120.2315 55.9491 31.5347 176.9150 16 R 4.1518 8.4490 121.3906 58.8605 30.0841 174.8268 17 E 4.7478 8.2844 115.9959 56.1026 31.2489 175.9173 18 G 4.2327 7.6426 104.6298 43.0440 0.0000 174.3051 19 I 3.6179 8.2313 124.5244 64.9918 37.1354 177.0447 20 L 3.9859 8.2645 120.4138 58.0972 41.6840 178.2771 21 F 4.5135 8.2424 119.0810 62.2022 39.7170 177.2091 22 T 3.6154 8.2786 115.2958 67.2660 68.0694 176.4893 23 T 3.9421 8.1734 118.0593 66.7549 68.7021 175.7597 24 L 4.1179 7.7691 123.4315 57.4567 42.0857 178.3298 25 E 3.9336 8.5600 118.0253 59.3347 29.3985 179.3508 26 K 3.9252 7.9679 119.6702 59.4829 32.0210 179.1380 27 L 3.9972 8.1369 119.2190 57.7865 41.6012 179.3053 28 V 3.6212 7.9747 117.5159 66.1880 31.3071 177.3874 29 A 4.0488 8.3669 120.4683 55.2776 18.0875 179.4013 30 W 4.1750 8.2447 125.0427 60.6723 30.8855 177.4342 31 G 3.9153 8.5821 107.0916 47.0789 0.0000 175.1950 32 R 4.7472 8.3570 120.7279 56.2604 29.6345 178.4600 33 S 3.8979 7.8432 114.5538 61.5345 62.6246 174.9701 34 N 4.6368 7.9476 115.6735 53.0747 39.2438 175.5210 35 S 4.7659 7.6054 116.1661 57.6493 63.7671 173.9671 36 L 4.5832 7.8324 121.1265 55.0405 41.8237 176.7131 37 W 4.9565 9.4916 135.0000 54.7986 31.9429 172.2033 38 P 4.6286 0.0000 0.0000 62.1556 30.9770 177.1188 39 A 4.5423 8.5825 128.4621 49.4357 18.0675 174.7242 40 T 4.0311 7.8859 114.4960 61.7270 68.0378 173.7248 41 F 5.0273 8.9872 128.8708 56.9660 38.5808 174.5319 42 G 3.4288 7.9158 106.9350 47.2725 0.0000 171.1629 43 L 4.4359 8.8564 119.5280 53.2587 43.6677 180.2462 44 A 4.8182 7.5654 126.8860 53.1939 20.6677 179.3766 45 C 3.6770 8.4141 106.7601 62.1797 30.7472 176.7217 46 C 4.1489 8.2541 118.0122 62.4515 27.3729 175.4826 47 A 4.0100 8.6972 122.7785 55.2824 17.5932 179.6107 48 I 3.8060 7.3491 117.3989 64.0092 37.3268 177.7389 49 E 4.0822 8.0836 119.7931 58.9867 29.5398 178.0540 50 M 4.2121 7.7977 119.3569 57.4830 32.1219 177.3747 51 M 4.3817 7.5871 114.9141 55.9407 31.9365 176.9194 52 A 4.6839 7.4059 119.8351 51.8374 19.8601 177.2009 53 S 4.5955 8.5609 112.8637 59.1842 65.1402 176.5967 54 T 4.1381 7.8188 116.2103 65.6870 68.7565 175.6857 55 D 4.4520 8.2278 120.4977 56.5158 41.0370 177.0296 56 A 4.4849 7.6139 120.6621 51.6402 19.5891 176.5242 *74 Q 4.0232 8.0665 121.1689 57.3674 29.1848 173.6391 75 A 5.0648 8.5463 127.9249 50.1205 21.6626 174.6086 76 D 4.8156 8.3099 121.5618 52.5404 41.5361 173.6966 77 V 4.2770 9.0080 125.2952 64.2122 29.4222 169.0684 78 M 5.0238 8.3175 123.8208 53.4757 34.1088 174.6984 79 I 4.7295 7.9233 122.2368 59.7931 39.7959 174.7897 80 V 4.5407 9.0783 128.2985 61.7573 32.7573 174.6428 81 A 4.6947 9.1419 131.8577 53.7558 20.2795 175.1182 82 G 3.9481 8.5570 108.0469 44.2736 0.0000 171.2326 83 R 4.0304 8.2311 118.1726 55.9760 30.1179 176.5850 84 L 4.2437 8.5234 127.9434 54.2038 42.7901 176.1067 85 S 4.5757 8.5440 121.6318 58.0746 63.2838 175.1725 86 K 4.0301 8.5851 123.8902 59.0985 31.8086 179.5216 87 K 4.0847 7.6527 119.2805 59.3561 32.3243 177.9861 88 M 4.2424 7.9522 116.5702 56.7175 32.2410 177.5646 89 A 4.0299 7.5768 121.7557 55.2464 18.5024 177.8022 90 P 4.1942 0.0000 0.0000 65.8019 31.2230 178.7293 91 V 3.6021 7.7580 117.6458 66.2689 31.6012 177.4820 92 M 3.6112 7.8974 117.9086 58.2970 31.8306 177.9992 93 R 3.8663 7.6940 119.0845 59.5021 30.3395 178.4092 94 R 4.1472 7.6442 119.0436 58.8314 29.9531 178.9294 95 V 3.5658 7.4206 116.2658 65.9937 31.4106 177.6787 96 W 4.1050 8.0942 126.6808 61.0177 30.5735 177.1253 97 E 3.6857 8.9083 118.0989 59.4193 29.3960 177.4913 98 Q 4.1269 7.8464 125.5779 56.4152 27.1549 175.4841 99 M 4.3430 7.7095 118.5574 53.2507 35.0494 172.5784 100 P 4.2672 0.0000 0.0000 63.1524 31.7811 175.7678 101 D 4.1190 8.4148 118.6132 56.3413 41.4400 174.8096 102 P 4.0497 0.0000 0.0000 62.0484 31.0566 175.2924 103 K 4.4575 6.8626 121.2592 55.1342 35.9007 175.4415 104 W 5.7504 8.7918 119.2804 54.1075 33.8910 174.0567 105 V 4.8407 8.7707 123.1570 61.3625 33.5396 174.0467 106 I 4.6502 8.7137 129.2137 60.0055 39.5155 174.8566 107 S 4.8688 9.0729 122.4643 56.9823 63.3657 171.9196 108 M 4.5171 8.9490 128.1873 55.4747 32.9570 177.1254 109 G 4.1730 9.1002 114.7640 44.1589 0.0000 173.2705 110 A 4.2810 8.3062 119.4237 54.4610 19.1072 179.7374 111 C 4.3415 8.1397 112.4216 62.2768 28.9296 174.9174 112 A 4.3319 8.1075 122.2437 54.7905 18.8709 179.5286 113 S 4.5316 7.6536 109.7937 61.6397 63.3321 174.1259 114 S 4.5949 7.9737 112.3409 57.3730 65.4171 174.5717 115 G 4.2710 8.3284 107.4987 45.9651 0.0000 174.7222 116 G 3.7028 7.4035 108.9538 47.2870 0.0000 174.8314 117 M 4.1876 8.4948 121.4532 55.4669 31.6681 177.3233 118 F 4.7850 7.6141 120.0864 56.3155 38.0112 174.9747 119 N 4.7725 7.9134 122.0867 51.4545 37.8324 173.5685 120 N 5.0014 7.6982 118.0703 51.7738 40.2172 174.1231 121 Y 4.2028 9.4046 114.8439 60.5596 38.5924 177.6455 122 A 3.5047 5.8000 121.8230 53.3652 18.5324 177.0179 123 I 4.8740 7.1777 115.1881 58.9742 39.9758 176.1601 124 V 3.4863 8.2023 127.1634 63.8519 32.0844 176.5236 125 Q 4.3233 8.7625 127.9252 54.4615 28.3731 171.7724 126 N 4.6830 8.6553 120.8871 53.5664 38.8841 174.9909 127 V 3.6486 8.8023 126.8628 65.9458 31.7573 177.4104 128 D 4.6033 8.5961 118.3794 56.4195 41.0191 177.7343 129 S 4.2745 8.2130 114.6389 60.6722 63.0855 175.2865 130 V 4.1678 8.4231 112.1163 61.9019 33.9729 176.5393 131 V 3.6502 6.9987 111.3660 58.0186 34.7765 173.1117 132 P 4.3029 0.0000 0.0000 62.9086 31.4846 176.0239 133 V 4.1743 7.9471 123.6072 61.8563 32.9286 175.0141 134 D 4.9036 8.8208 124.9137 54.9840 43.6755 176.5449 135 V 4.6685 7.3288 117.6262 61.6446 35.0914 172.7039 136 Y 5.2312 8.7693 125.3390 56.2965 40.1789 175.6035 137 V 4.5148 9.0668 123.6059 59.0384 33.6290 173.4025 138 P 4.6234 0.0000 0.0000 62.7883 32.4355 175.0825 139 G 4.3538 7.8461 105.8958 44.0365 0.0000 172.7764 140 C 4.7686 7.7674 121.2452 57.4370 32.2232 171.2960 141 P 4.6081 0.0000 0.0000 60.4782 32.3959 175.3860 142 P 4.3668 0.0000 0.0000 62.3532 32.1536 176.2510 143 R 4.0119 8.4835 120.4548 56.1691 30.5192 175.2702 144 P 4.2746 0.0000 0.0000 66.1426 31.2327 178.7719 145 E 4.1633 8.1817 115.4911 58.3306 29.3290 178.9789 146 A 3.9923 7.9532 121.7220 55.1733 18.1564 179.2752 147 L 3.9138 7.6341 117.1883 58.0187 41.8825 179.4884 148 I 3.7753 7.5639 119.4319 64.7094 37.2825 177.4069 149 Y 4.1231 7.8783 120.0806 60.4259 38.6286 177.8362 150 A 3.9389 8.2334 122.1928 55.1620 18.4959 179.9298 151 V 3.6044 7.4851 110.1114 64.4096 31.6943 178.5302 152 M 3.9314 8.2113 118.7461 58.3388 31.5800 178.7070 153 Q 3.6941 7.9000 119.5853 58.8716 29.4946 177.6471 154 L 3.8972 7.5291 120.7184 57.8805 41.8989 178.7552 155 Q 3.6921 7.7255 118.4058 58.6476 28.7939 178.1779 156 K 3.7206 7.6345 119.5188 58.6641 32.1967 178.8596 157 K 3.9423 7.3991 119.7207 58.8680 32.3503 178.7903 158 V 3.9762 7.1802 110.4262 63.7225 31.5062 178.2350 159 R 4.0738 7.8399 116.9338 56.2991 30.2926 176.3003 160 G 3.7905 7.9272 106.6048 47.2296 0.0000 173.9158 161 Q 4.2670 8.2739 115.9675 54.7670 30.4185 174.0124 162 A 4.6210 7.4402 119.1421 50.4807 21.3092 175.6351 163 Y 5.4698 8.4288 117.8122 55.0163 41.6148 175.1639 164 N 4.8537 8.4394 119.3643 51.5568 39.0990 175.8887 165 E 4.0029 8.5945 117.1229 59.0109 29.4927 178.3957 166 R 4.1419 8.1176 115.8424 56.2424 30.4266 177.0995 167 G 3.8028 8.3721 106.5825 45.7117 0.0000 173.6491 168 E 4.4377 8.5544 120.0069 55.1905 30.8376 174.8072 169 R 4.9420 8.3854 120.5179 55.1747 31.2377 175.5382 170 L 4.5485 8.4745 127.3652 53.1662 43.0587 175.1047 171 P 4.3580 0.0000 0.0000 62.5024 31.5956 175.7145 172 P 4.7541 0.0000 0.0000 64.8896 31.6523 176.6444 173 V 4.3720 7.2903 115.1967 60.9170 34.4343 175.0157 174 A 4.1775 8.3997 130.1045 51.8989 16.5231 177.4575 175 A 4.1224 8.1204 122.8800 53.5918 19.1787 176.6180 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 15 E 8.30 4.38 0.00 2.09 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 0.00 2.31 2.39 0.00 16 R 8.45 4.15 0.00 1.94 2.07 0.00 3.57 0.00 0.00 3.66 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 17 E 8.28 4.75 0.00 2.00 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 2.26 2.24 0.00 18 G 7.64 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 0.00 0.00 0.00 0.00 19 I 8.23 3.62 1.89 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 1.53 0.61 0.92 0.00 0.00 20 L 8.26 3.99 0.00 1.73 1.63 0.96 0.91 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 21 F 8.24 4.51 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 22 T 8.28 3.62 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 T 8.17 3.94 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 1.19 0.00 0.00 24 L 7.77 4.12 0.00 2.04 1.83 0.97 1.41 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 25 E 8.56 3.93 0.00 2.15 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 2.05 2.20 0.00 26 K 7.97 3.93 0.00 1.96 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.69 7.81 27 L 8.14 4.00 0.00 1.95 1.73 0.89 1.03 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 28 V 7.97 3.62 2.15 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 1.19 0.00 0.00 1.05 0.00 0.00 29 A 8.37 4.05 1.51 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 30 W 8.24 4.18 0.00 3.65 3.30 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 0.00 31 G 8.58 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 0.00 0.00 0.00 32 R 8.36 4.75 0.00 2.10 2.18 0.00 3.19 0.00 0.00 3.20 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.64 0.00 33 S 7.84 3.90 0.00 3.64 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 34 N 7.95 4.64 0.00 2.69 2.80 0.00 0.00 7.04 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 35 S 7.61 4.77 0.00 3.99 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 36 L 7.83 4.58 0.00 1.60 1.60 0.64 0.48 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 37 W 9.49 4.96 0.00 3.31 3.09 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 38 P 0.00 4.63 0.00 1.71 1.86 0.00 3.10 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 1.87 2.01 0.00 39 A 8.58 4.54 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 40 T 7.89 4.03 4.22 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 1.14 0.00 0.00 41 F 8.99 5.03 0.00 3.05 3.03 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 42 G 7.92 3.43 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 0.00 43 L 8.86 4.44 0.00 1.54 1.38 0.96 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.57 4.82 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 45 C 8.41 3.68 0.00 3.14 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 46 C 8.25 4.15 0.00 3.05 3.02 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 47 A 8.70 4.01 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 48 I 7.35 3.81 2.00 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 1.39 0.57 0.90 0.00 0.00 49 E 8.08 4.08 0.00 2.08 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 2.53 2.42 0.00 50 M 7.80 4.21 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 51 M 7.59 4.38 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 52 A 7.41 4.68 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 53 S 8.56 4.60 0.00 3.92 4.07 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 54 T 7.82 4.14 4.21 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 1.15 0.00 0.00 55 D 8.23 4.45 0.00 2.75 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 56 A 7.61 4.48 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 *74 Q 8.07 4.02 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 75 A 8.55 5.06 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 76 D 8.31 4.82 0.00 3.08 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 77 V 9.01 4.28 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 1.10 0.00 0.00 1.18 0.00 0.00 78 M 8.32 5.02 0.00 2.16 2.28 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 2.64 2.70 0.00 79 I 7.92 4.73 1.89 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 1.12 0.73 0.93 0.00 0.00 80 V 9.08 4.54 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 1.17 0.00 0.00 0.98 0.00 0.00 81 A 9.14 4.69 1.19 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 82 G 8.56 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 83 R 8.23 4.03 0.00 1.74 2.00 0.00 3.29 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.36 0.00 84 L 8.52 4.24 0.00 1.77 1.64 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.54 4.58 0.00 3.86 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 86 K 8.59 4.03 0.00 1.72 1.83 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.45 7.81 87 K 7.65 4.08 0.00 1.71 1.81 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 88 M 7.95 4.24 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 89 A 7.58 4.03 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 90 P 0.00 4.19 0.00 2.29 2.33 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 91 V 7.76 3.60 2.41 0.00 0.00 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 0.98 0.00 0.00 92 M 7.90 3.61 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.24 0.00 93 R 7.69 3.87 0.00 1.89 2.16 0.00 3.25 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 94 R 7.64 4.15 0.00 1.99 1.99 0.00 3.23 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 95 V 7.42 3.57 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 0.70 0.00 0.00 1.03 0.00 0.00 96 W 8.09 4.10 0.00 3.24 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 97 E 8.91 3.69 0.00 2.20 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 2.59 2.95 0.00 98 Q 7.85 4.13 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 99 M 7.71 4.34 0.00 1.48 1.81 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 100 P 0.00 4.27 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 101 D 8.41 4.12 0.00 2.55 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 0.00 102 P 0.00 4.05 0.00 2.11 1.97 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 103 K 6.86 4.46 0.00 1.53 1.46 0.00 0.83 0.00 0.00 1.49 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.19 7.81 104 W 8.79 5.75 0.00 3.32 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 0.00 105 V 8.77 4.84 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 1.05 0.00 0.00 1.12 0.00 0.00 106 I 8.71 4.65 1.88 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 1.10 0.45 0.90 0.00 0.00 107 S 9.07 4.87 0.00 3.59 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 0.00 108 M 8.95 4.52 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 109 G 9.10 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 0.00 0.00 0.00 110 A 8.31 4.28 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 0.00 111 C 8.14 4.34 0.00 3.05 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 0.00 112 A 8.11 4.33 1.40 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 0.00 0.00 113 S 7.65 4.53 0.00 4.02 4.07 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 0.00 114 S 7.97 4.59 0.00 3.96 3.91 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 0.00 115 G 8.33 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 0.00 0.00 0.00 0.00 116 G 7.40 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 0.00 0.00 0.00 117 M 8.49 4.19 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 2.12 0.00 118 F 7.61 4.79 0.00 3.22 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 0.00 119 N 7.91 4.77 0.00 2.69 2.77 0.00 0.00 7.08 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 0.00 120 N 7.70 5.00 0.00 3.17 2.95 0.00 0.00 6.37 7.55 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 0.00 121 Y 9.40 4.20 0.00 3.20 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 0.00 122 A 5.80 3.50 0.62 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 0.00 0.00 123 I 7.18 4.87 1.85 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.54 0.99 0.00 0.00 124 V 8.20 3.49 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 0.75 0.00 0.00 0.95 0.00 0.00 125 Q 8.76 4.32 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.36 0.00 0.00 0.00 0.00 0.00 2.61 2.32 0.00 126 N 8.66 4.68 0.00 2.84 3.11 0.00 0.00 6.69 7.71 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 0.00 127 V 8.80 3.65 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 0.80 0.00 0.00 1.00 0.00 0.00 128 D 8.60 4.60 0.00 2.79 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 0.00 129 S 8.21 4.27 0.00 3.90 3.91 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 0.00 130 V 8.42 4.17 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 0.66 0.00 0.00 0.94 0.00 0.00 131 V 7.00 3.65 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 0.00 0.00 0.50 0.00 0.00 0.63 0.00 0.00 132 P 0.00 4.30 0.00 2.00 1.95 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 133 V 7.95 4.17 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.80 0.00 0.00 134 D 8.82 4.90 0.00 2.71 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 0.00 135 V 7.33 4.67 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 0.91 0.00 0.00 0.88 0.00 0.00 136 Y 8.77 5.23 0.00 2.85 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 0.00 137 V 9.07 4.51 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 0.99 0.00 0.00 138 P 0.00 4.62 0.00 2.12 2.12 0.00 3.84 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 2.03 2.02 0.00 139 G 7.85 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 0.00 0.00 0.00 0.00 140 C 7.77 4.77 0.00 2.89 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 0.00 141 P 0.00 4.61 0.00 2.23 2.04 0.00 3.83 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 1.98 1.95 0.00 142 P 0.00 4.37 0.00 2.23 2.38 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 2.01 2.06 0.00 143 R 8.48 4.01 0.00 1.86 1.85 0.00 3.19 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.67 0.00 144 P 0.00 4.27 0.00 2.19 2.10 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 145 E 8.18 4.16 0.00 2.04 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 2.39 2.43 0.00 146 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 0.00 147 L 7.63 3.91 0.00 1.75 1.86 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.56 3.78 2.05 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 1.54 0.42 0.96 0.00 0.00 149 Y 7.88 4.12 0.00 2.89 3.14 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 0.00 0.00 0.00 0.00 150 A 8.23 3.94 1.40 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 0.00 0.00 151 V 7.49 3.60 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 0.85 0.00 0.00 0.92 0.00 0.00 152 M 8.21 3.93 0.00 1.95 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 153 Q 7.90 3.69 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 154 L 7.53 3.90 0.00 1.72 1.69 0.81 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 0.00 155 Q 7.73 3.69 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.51 0.00 0.00 0.00 0.00 0.00 2.13 2.41 0.00 156 K 7.63 3.72 0.00 1.60 1.76 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.41 7.81 157 K 7.40 3.94 0.00 1.84 1.80 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.43 7.81 158 V 7.18 3.98 1.86 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 -0.19 0.00 0.00 0.57 0.00 0.00 159 R 7.84 4.07 0.00 1.69 1.89 0.00 2.97 0.00 0.00 2.67 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.25 0.00 160 G 7.93 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 0.00 161 Q 8.27 4.27 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 162 A 7.44 4.62 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 8.43 5.47 0.00 2.91 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 0.00 164 N 8.44 4.85 0.00 2.99 3.02 0.00 0.00 5.99 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 0.00 165 E 8.59 4.00 0.00 2.00 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 0.00 2.35 2.30 0.00 166 R 8.12 4.14 0.00 1.93 1.98 0.00 3.26 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 167 G 8.37 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 0.00 0.00 0.00 168 E 8.55 4.44 0.00 2.11 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 2.32 2.27 0.00 169 R 8.39 4.94 0.00 2.21 1.96 0.00 3.27 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 170 L 8.47 4.55 0.00 1.64 1.58 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.36 0.00 2.14 2.21 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 172 P 0.00 4.75 0.00 2.20 2.45 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 173 V 7.29 4.37 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 0.36 0.00 0.00 0.87 0.00 0.00 174 A 8.40 4.18 1.30 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 0.00 0.00 0.00 175 A 8.12 4.12 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 * Residues marked with a * may have inaccurate shift predictions.