NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4054 8.1927 115.4148 58.2277 64.4249 171.6822 2 V 4.1148 8.0911 120.4361 60.8293 32.7228 173.6379 3 R 4.6396 8.0861 125.3306 53.9041 33.4645 175.4027 4 K 4.1569 8.2474 120.3930 56.3092 32.9523 175.6079 5 I 4.6358 7.9573 125.5452 59.3812 38.8082 175.5691 6 L 4.2358 8.5522 126.1689 54.9516 42.3244 177.0007 7 R 4.7220 8.4399 121.5692 54.6657 32.7083 175.3861 8 M 4.0771 8.6023 122.2657 56.1660 32.0426 174.5122 9 G 3.4992 9.2032 119.1093 45.7810 0.0000 173.8615 10 D 4.4070 7.9449 122.1846 53.1125 41.6676 175.3551 11 P 4.3004 0.0000 0.0000 65.4811 31.8168 178.2573 12 I 3.5163 8.7646 120.7926 64.5148 36.9548 177.7429 13 L 4.1728 7.8680 119.0737 56.5768 41.1858 178.0028 14 R 4.7897 8.6274 117.5037 55.8989 31.6685 176.2125 15 K 4.3982 7.7216 118.6353 55.3650 33.6887 176.5484 16 I 4.2543 8.1171 123.6630 61.1149 37.6420 176.1987 17 S 4.6066 8.6820 124.3318 58.3832 63.6332 173.6722 18 E 4.7202 8.6766 121.1480 53.7749 32.2944 173.5274 19 P 4.6118 0.0000 0.0000 63.0780 32.4258 175.5867 20 V 4.4996 8.3041 121.0519 61.1960 33.3073 175.9146 21 T 4.1911 9.3688 119.9273 61.5672 69.5426 176.1604 22 E 4.0886 8.6172 118.3516 57.9908 30.2215 179.1044 23 D 4.6341 7.8652 117.8133 57.5548 41.7457 178.2121 24 E 3.8969 8.0722 119.3139 59.5841 29.2887 179.2669 25 I 2.1157 7.2316 110.0934 62.2382 37.5091 176.1835 26 Q 4.4517 7.9986 121.3200 57.1776 30.6420 177.0162 27 T 3.9730 7.6532 112.9396 61.6608 68.9451 180.7373 28 K 4.2692 8.8948 132.1187 59.8078 31.5141 178.7480 29 E 4.2468 8.1894 117.1570 61.2671 29.8645 182.0518 30 F 4.5589 8.2278 123.8554 61.9147 39.6802 177.7592 31 K 3.7993 8.5999 125.2096 60.7091 31.2698 181.6367 32 K 4.2297 7.8573 123.7821 59.4902 31.5842 181.7081 33 L 4.0444 7.9070 121.7740 58.4215 41.9324 178.6713 34 I 3.6322 7.6197 121.1462 65.3283 36.9906 178.5045 35 R 4.0051 7.9034 120.3405 61.9794 29.2364 180.2029 36 D 4.8131 8.3632 121.1317 56.8423 40.9375 178.7713 37 M 3.9273 8.5948 119.1437 58.9334 32.0382 178.6061 38 F 3.9598 8.5661 117.7011 61.0605 39.0251 177.6302 39 T 4.1072 8.7164 115.4828 67.3432 68.1674 176.8243 40 T 3.9327 8.5346 117.7027 66.6838 68.5674 176.5547 41 M 3.9928 8.5074 120.3821 58.8444 32.1757 178.2032 42 R 3.9856 8.5185 118.5654 59.6491 30.0091 178.4480 43 H 4.0878 7.8226 116.5734 59.2699 30.1165 176.7399 44 A 4.2263 7.6856 118.5942 51.8289 18.7970 176.5726 45 E 3.6470 7.7801 116.0875 57.3637 27.2388 174.5540 46 G 4.0361 7.9414 106.5715 44.6223 0.0000 173.9576 47 V 4.1630 7.9459 117.5587 63.2180 33.0661 174.8708 48 G 4.3016 7.6117 104.6015 47.3747 0.0000 172.1150 49 L 4.8041 8.3827 119.2580 53.8923 46.1403 173.2503 50 A 5.0895 8.7151 126.3693 50.0837 21.5974 176.9597 51 A 3.8581 8.8844 125.6146 54.8854 18.4529 178.3896 52 P 4.3249 0.0000 0.0000 65.6478 31.0075 178.1759 53 Q 3.6111 8.3704 118.1549 57.8826 28.3728 178.1024 54 I 4.7929 6.9265 112.6635 59.1934 38.3900 175.9780 55 G 4.0657 8.4158 109.1532 45.4844 0.0000 173.5757 56 I 4.3986 7.7313 121.2078 59.5149 39.3282 175.4204 57 L 4.7789 8.2028 127.9479 53.3255 40.0292 175.1545 58 K 5.0636 7.6607 118.3242 54.2916 36.5741 178.2238 59 Q 4.4504 8.9854 124.1404 56.0471 26.6191 173.4919 60 I 5.0096 7.7833 120.8572 59.2902 41.1983 174.4600 61 V 4.8924 9.3196 127.3485 60.9913 35.3222 174.3739 62 V 4.6353 8.5231 124.6207 61.2622 34.7375 174.6407 63 V 4.8899 9.5436 120.1880 58.7304 36.1122 175.1670 64 G 4.8759 7.8858 126.1191 46.7520 0.0000 173.4261 65 S 4.3536 9.0575 126.3730 58.4397 63.3293 173.2202 66 E 3.9363 8.1889 115.2080 56.9078 27.2354 179.3521 67 D 4.6795 8.8645 114.3051 57.3332 41.2488 173.8273 68 N 5.0965 7.5499 119.2007 52.7637 38.1745 176.2580 69 E 4.9295 8.3481 112.9191 59.2748 34.1192 174.9503 70 R 4.6656 8.7043 117.0478 56.9234 30.8193 169.7287 *71 Y 3.8140 8.5222 116.1047 55.8781 37.0288 172.0410 72 P 4.6487 0.0000 0.0000 61.8018 31.3888 179.0662 73 G 3.9053 9.0996 114.0661 47.6425 0.0000 173.4806 74 T 4.1710 7.4156 111.9579 57.5697 70.9175 177.6846 75 P 4.2625 0.0000 0.0000 62.7654 31.5388 176.9558 76 D 4.6857 8.1602 119.9103 52.6143 39.2662 174.5069 77 V 3.9125 8.1513 125.4172 61.1995 32.6197 173.3235 78 P 4.7173 0.0000 0.0000 62.6165 31.9642 176.1219 79 E 4.7795 8.8300 121.4628 56.7501 30.2099 176.2862 80 R 4.5524 8.4680 120.3252 56.0120 33.5869 172.6237 81 I 4.9488 8.7055 124.8864 59.7349 39.3334 174.9299 82 I 4.7107 8.8037 127.8027 59.4801 39.5815 174.5960 83 L 5.1483 8.7735 126.3468 53.4364 45.3477 176.4921 84 N 4.1708 8.8635 120.6424 53.7937 36.6573 172.8029 85 P 4.9245 0.0000 0.0000 63.0364 33.3343 177.6498 86 V 4.4432 8.7233 121.0080 61.7375 34.7346 173.8821 87 I 5.1533 8.4956 127.9454 60.0790 40.3756 175.2968 88 T 4.6523 8.3881 120.0780 61.4274 72.5803 171.9943 89 P 4.6706 0.0000 0.0000 62.8660 31.6643 176.2005 90 L 4.6901 8.9736 121.9410 55.2656 43.6971 176.2897 91 T 4.6353 7.6777 110.9541 60.7073 70.4011 173.0842 92 K 4.3886 8.4069 122.3867 56.4537 32.8863 176.9114 93 D 4.7606 7.7083 119.8781 54.3715 41.8665 175.5065 94 T 5.1127 8.4444 111.4175 60.0266 72.0870 173.3887 95 S 4.6534 8.4914 118.1563 56.6345 66.0606 174.2863 96 G 4.2580 8.8872 111.9950 45.8504 0.0000 172.1507 97 F 4.4471 6.9696 118.8957 57.1071 43.7450 173.1912 98 W 5.0860 8.9668 125.5428 55.9326 29.2971 175.7136 99 E 4.5402 8.9731 125.3036 55.2025 31.3953 175.9564 100 G 4.3023 8.0399 107.7879 44.9240 0.0000 171.4563 101 C 4.9375 8.9526 124.9684 57.3183 33.3027 174.2455 102 L 3.5644 8.7943 126.6626 58.1451 41.4708 178.5553 103 S 4.5046 8.1290 112.8132 59.8111 63.4959 173.5052 104 V 4.7153 8.3720 121.0074 59.5758 30.9013 172.4799 105 P 4.2585 0.0000 0.0000 63.8396 32.1578 177.4872 106 G 4.0798 9.3247 108.8241 45.0487 0.0000 172.2584 107 M 5.2379 7.8432 116.6521 53.5145 36.3660 174.4226 108 R 5.5476 8.1610 119.8982 54.0844 34.7905 174.7497 109 G 4.8111 8.4805 105.0780 45.5259 0.0000 171.7127 110 Y 4.1365 8.1411 125.6072 56.6898 40.1498 174.3700 111 V 4.1717 8.3463 126.3251 61.0825 34.9470 173.6177 112 E 4.6931 8.5656 127.4195 55.0265 30.8058 175.5230 113 R 4.7339 7.9823 122.3079 53.2339 34.5772 173.4472 114 P 5.2286 0.0000 0.0000 62.3034 32.1409 176.0506 115 N 4.9719 8.6694 116.9078 52.6663 39.1953 173.7517 116 Q 4.8444 7.9138 118.9800 54.9526 32.6260 173.6424 117 I 5.0497 8.9516 117.6433 59.0129 42.1023 174.4175 118 R 4.9841 9.1409 124.7733 55.2535 31.4825 174.3125 119 M 5.2754 8.7255 126.3448 54.0154 35.4788 174.5326 120 Q 5.1754 9.1766 122.8241 54.3090 32.6598 173.6059 121 W 5.4333 8.3513 123.0904 56.6623 31.9715 173.1987 122 M 5.4979 8.9828 114.4235 56.2772 35.9655 175.4202 123 D 5.3565 8.6239 124.5035 51.2801 42.0713 176.7246 124 E 4.3067 8.9923 118.3122 59.4107 29.3890 178.9038 125 K 4.1429 8.1910 116.1901 57.0215 32.5895 177.6681 126 G 4.0047 8.6384 106.6390 44.6301 0.0000 173.5181 127 N 4.2946 8.6892 121.2682 53.8308 39.6294 174.5693 128 Q 4.7252 8.1344 123.5703 54.0383 29.8240 172.7919 129 F 4.2857 7.4463 122.3792 55.0325 42.2814 174.7531 130 D 5.2419 7.6628 112.8190 54.6051 42.1503 173.9165 131 E 4.9395 8.4912 122.3462 54.2196 34.5054 174.1066 132 T 4.9580 8.5105 115.3868 60.8991 68.6297 173.6543 133 I 4.7449 8.8609 130.1608 60.0478 40.1652 174.2147 134 D 5.0465 7.7581 122.5542 52.7733 42.8987 175.8804 135 G 3.9235 7.9673 108.4699 45.7745 0.0000 174.4128 136 Y 3.9138 8.0075 117.8497 60.0957 39.4185 178.3020 137 K 3.2391 8.0665 119.0115 59.4586 32.0545 178.6302 138 A 3.8362 7.7824 120.7343 55.3755 18.1265 179.7064 139 I 3.3910 7.1577 117.3742 64.6593 37.1820 178.0849 140 V 3.2039 7.3140 119.0430 66.1588 31.1815 177.2676 141 Y 4.3369 8.3032 116.2132 61.6755 37.8981 179.1760 142 Q 3.9660 8.3762 118.7760 59.1513 28.5589 178.5022 143 H 3.9445 7.8783 118.1079 59.3150 30.0807 176.8504 144 E 4.0279 8.2635 120.1943 59.7135 29.3869 178.8748 145 C 3.9419 8.5504 118.8037 62.6186 31.3125 175.3794 146 D 4.2963 7.8390 120.5228 57.6909 40.1734 178.3840 147 H 4.1806 7.9882 116.4151 58.7104 28.5860 177.7096 148 L 4.1021 7.9240 120.9392 56.8872 41.2284 178.1856 149 Q 4.2208 7.7666 115.2993 55.1780 28.9965 175.2738 150 G 3.9729 7.4946 104.7803 47.8154 0.0000 174.3646 151 I 4.6845 8.0257 118.9088 59.0303 40.6781 175.4945 152 L 4.7575 8.4210 124.8366 52.7221 43.8506 177.0077 153 Y 3.9647 8.7588 120.7139 60.7797 37.5258 179.1546 154 V 2.7470 6.7936 118.8475 65.5951 31.1197 177.2724 155 D 4.4848 8.4448 117.8731 55.8697 40.7031 177.0601 156 R 4.4473 7.9649 117.1085 55.2983 30.7093 176.0625 157 L 3.9916 7.1519 117.4381 55.2186 42.1148 177.2634 158 K 4.0297 8.3667 125.6447 58.8501 32.5521 176.5765 159 D 4.7167 7.7779 117.7304 52.3480 43.7857 175.8144 160 T 4.0157 8.7291 116.9036 64.1690 69.0055 175.5471 161 K 4.1898 8.2514 121.8088 59.5005 32.7338 178.0974 162 L 4.6470 7.9405 120.9156 52.0535 39.9778 174.9307 163 F 5.4243 7.5918 117.2392 57.8010 43.1084 173.5023 164 G 3.8098 8.0293 111.4798 46.0175 0.0000 171.7842 165 F 4.8663 8.3769 118.0597 57.0114 40.2906 176.8768 166 N 4.3140 9.8223 124.4425 57.5788 38.2627 178.1975 167 E 4.0574 8.0150 117.7707 61.0960 29.9441 180.4558 168 T 4.6037 7.7189 106.8406 61.8894 69.8555 175.9833 169 L 4.0990 7.7762 121.5629 56.5374 43.0222 177.1346 170 D 4.5583 7.3454 120.8486 51.4057 39.6359 176.4110 171 S 4.2684 7.3622 116.9113 59.1177 62.4192 175.6672 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 S 8.19 4.41 0.00 4.02 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 2 V 8.09 4.11 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 0.72 0.00 0.00 0.93 0.00 0.00 3 R 8.09 4.64 0.00 1.80 1.80 0.00 3.20 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 4 K 8.25 4.16 0.00 1.78 1.66 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.45 7.81 5 I 7.96 4.64 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 1.40 0.73 0.97 0.00 0.00 6 L 8.55 4.24 0.00 1.50 1.59 0.97 1.17 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 7 R 8.44 4.72 0.00 1.74 1.85 0.00 3.33 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 8 M 8.60 4.08 0.00 2.03 1.99 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 2.58 2.50 0.00 9 G 9.20 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.94 4.41 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.30 0.00 2.25 2.29 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 12 I 8.76 3.52 1.95 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 1.45 1.65 0.90 0.00 0.00 13 L 7.87 4.17 0.00 1.76 1.69 0.95 0.78 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 14 R 8.63 4.79 0.00 1.76 1.91 0.00 3.25 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 15 K 7.72 4.40 0.00 1.59 1.72 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 16 I 8.12 4.25 1.87 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 1.34 0.46 0.94 0.00 0.00 17 S 8.68 4.61 0.00 3.78 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 18 E 8.68 4.72 0.00 2.04 2.05 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 2.34 2.27 0.00 19 P 0.00 4.61 0.00 1.95 2.07 0.00 3.64 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 2.04 2.25 0.00 20 V 8.30 4.50 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 0.76 0.00 0.00 1.04 0.00 0.00 21 T 9.37 4.19 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 1.23 0.00 0.00 22 E 8.62 4.09 0.00 2.01 1.91 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 2.23 1.91 0.00 23 D 7.87 4.63 0.00 2.61 2.67 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 0.00 0.00 0.00 0.00 24 E 8.07 3.90 0.00 1.80 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 2.31 2.29 0.00 25 I 7.23 2.12 1.58 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.19 0.49 0.00 0.00 26 Q 8.00 4.45 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 27 T 7.65 3.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 K 8.89 4.27 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 29 E 8.19 4.25 0.00 2.06 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 2.23 1.94 0.00 30 F 8.23 4.56 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 31 K 8.60 3.80 0.00 1.80 1.84 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.11 7.81 32 K 7.86 4.23 0.00 1.73 1.84 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.31 7.81 33 L 7.91 4.04 0.00 1.68 1.62 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.62 3.63 1.92 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.36 1.08 0.00 0.00 35 R 7.90 4.01 0.00 1.85 1.98 0.00 3.29 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 36 D 8.36 4.81 0.00 2.87 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 37 M 8.59 3.93 0.00 1.83 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 38 F 8.57 3.96 0.00 3.27 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 39 T 8.72 4.11 4.44 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 1.25 0.00 0.00 40 T 8.53 3.93 4.39 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 1.22 0.00 0.00 41 M 8.51 3.99 0.00 2.09 1.97 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 2.58 2.68 0.00 42 R 8.52 3.99 0.00 1.88 2.04 0.00 3.41 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 43 H 7.82 4.09 0.00 3.24 3.54 0.00 5.75 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 44 A 7.69 4.23 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 45 E 7.78 3.65 0.00 2.10 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 2.24 2.37 0.00 46 G 7.94 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 47 V 7.95 4.16 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 1.01 0.00 0.00 1.00 0.00 0.00 48 G 7.61 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.68 4.64 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 92 K 8.41 4.39 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.39 7.81 93 D 7.71 4.76 0.00 2.64 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 94 T 8.44 5.11 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 1.24 0.00 0.00 95 S 8.49 4.65 0.00 3.77 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 96 G 8.89 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 97 F 6.97 4.45 0.00 3.25 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 98 W 8.97 5.09 0.00 3.24 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.97 0.00 2.79 2.97 0.00 0.00 5.71 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 0.00 116 Q 7.91 4.84 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 117 I 8.95 5.05 1.88 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 1.23 1.34 0.90 0.00 0.00 118 R 9.14 4.98 0.00 1.90 1.88 0.00 3.10 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 119 M 8.73 5.28 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 120 Q 9.18 5.18 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.22 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 121 W 8.35 5.43 0.00 3.43 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 0.00 122 M 8.98 5.50 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.31 0.00 123 D 8.62 5.36 0.00 3.06 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 0.00 124 E 8.99 4.31 0.00 2.11 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 125 K 8.19 4.14 0.00 1.97 1.88 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 126 G 8.64 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 0.00 127 N 8.69 4.29 0.00 2.60 2.11 0.00 0.00 6.92 7.25 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 0.00 128 Q 8.13 4.73 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.80 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 129 F 7.45 4.29 0.00 1.51 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 0.00 0.00 0.00 0.00 130 D 7.66 5.24 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.49 4.94 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 2.42 2.47 0.00 132 T 8.51 4.96 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 1.26 0.00 0.00 133 I 8.86 4.74 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.80 0.00 0.00 134 D 7.76 5.05 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 7.97 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 0.00 136 Y 8.01 3.91 0.00 3.01 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 0.00 137 K 8.07 3.24 0.00 1.45 0.95 0.00 1.51 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.41 7.81 138 A 7.78 3.84 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 0.00 139 I 7.16 3.39 1.43 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.45 0.00 0.00 140 V 7.31 3.20 1.76 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 1.01 0.00 0.00 0.17 0.00 0.00 141 Y 8.30 4.34 0.00 2.99 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.38 3.97 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 143 H 7.88 3.94 0.00 2.98 3.47 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.26 4.03 0.00 2.10 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 2.48 2.44 0.00 145 C 8.55 3.94 0.00 2.90 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 0.00 146 D 7.84 4.30 0.00 2.87 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 0.00 147 H 7.99 4.18 0.00 3.28 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.92 4.10 0.00 1.82 1.70 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.77 4.22 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 150 G 7.49 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 0.00 151 I 8.03 4.68 1.82 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 1.26 0.84 0.95 0.00 0.00 152 L 8.42 4.76 0.00 1.57 1.42 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.76 3.96 0.00 3.16 3.26 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 0.00 154 V 6.79 2.75 1.67 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 0.66 0.00 0.00 0.07 0.00 0.00 155 D 8.44 4.48 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.96 4.45 0.00 1.80 1.86 0.00 3.15 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 157 L 7.15 3.99 0.00 1.52 1.52 0.00 0.84 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 0.00 158 K 8.37 4.03 0.00 1.66 1.93 0.00 2.00 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.40 7.81 159 D 7.78 4.72 0.00 2.70 2.45 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 0.00 160 T 8.73 4.02 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 1.19 0.00 0.00 161 K 8.25 4.19 0.00 1.86 1.98 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.76 7.81 162 L 7.94 4.65 0.00 1.81 1.40 0.73 0.91 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 0.00 163 F 7.59 5.42 0.00 2.91 3.18 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 0.00 0.00 0.00 0.00 164 G 8.03 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 0.00 0.00 0.00 165 F 8.38 4.87 0.00 3.00 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 0.00 166 N 9.82 4.31 0.00 2.76 2.90 0.00 0.00 6.94 7.52 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 0.00 167 E 8.01 4.06 0.00 2.06 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 2.24 1.99 0.00 168 T 7.72 4.60 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 1.18 0.00 0.00 169 L 7.78 4.10 0.00 1.55 1.50 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 170 D 7.35 4.56 0.00 2.60 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 0.00 171 S 7.36 4.27 0.00 3.73 3.62 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 * Residues marked with a * may have inaccurate shift predictions.