NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 Q 4.3152 8.2027 119.6879 55.7496 30.6445 176.5387 21 N 4.2356 7.9832 115.7403 54.5731 38.8574 174.9572 22 L 3.9797 8.5512 122.9532 58.2858 42.8743 177.6398 23 L 3.9284 8.0132 118.4235 58.2297 41.4260 179.6028 24 R 3.9169 7.8405 117.8503 59.0975 30.1020 178.3427 25 A 3.9320 7.5837 119.6434 55.0978 18.4173 179.7779 26 V 3.5015 8.4119 117.0112 66.3966 31.6627 178.4800 27 S 4.1374 8.3823 115.2706 61.6815 62.5418 176.5108 28 N 4.3640 8.9899 119.8851 56.3114 38.1379 177.2004 29 M 4.0235 7.9845 119.6828 58.5587 32.3319 178.3330 30 L 3.6374 8.0059 119.2576 57.5223 41.6728 179.3198 31 Q 3.8964 8.0896 119.7112 59.0488 29.0088 178.0985 32 K 3.9053 8.4046 120.8844 59.2587 32.1367 178.5281 33 A 3.9030 8.7111 122.0466 55.2293 18.1262 179.3005 34 R 3.8247 8.0955 116.1025 59.9469 30.1113 178.4146 35 Q 4.1797 8.3665 117.0754 58.6081 29.0543 177.7913 36 T 4.2600 7.9498 108.4488 61.7778 69.2445 176.2606 37 L 4.2885 8.1594 122.2495 57.6003 41.9602 178.0531 38 E 4.1912 8.5962 118.7219 59.4115 29.6666 178.3881 39 F 4.2800 8.8583 113.9865 58.1316 38.4670 175.1864 40 Y 4.7022 7.5730 118.6410 55.7670 39.9874 174.3445 41 P 4.2870 0.0000 0.0000 61.4750 33.4863 180.0637 42 C 4.0150 8.5408 123.1156 56.5054 43.1116 176.2209 *58 S 4.1724 8.3567 117.7179 57.9792 62.5746 173.2382 59 T 3.8472 8.3582 127.1322 66.7397 68.0783 176.4220 60 V 3.5695 7.7852 118.5683 65.8652 31.6764 177.3660 61 E 4.1813 7.8107 116.3726 59.0636 29.5780 178.5246 62 A 3.6187 7.9828 119.4883 54.3821 18.3154 177.2351 63 C 4.9487 7.7724 114.1474 56.4045 39.8171 173.9733 64 L 4.1646 8.5742 123.1193 54.0295 42.6088 174.6093 65 P 4.4674 0.0000 0.0000 62.0913 32.1958 176.7702 66 L 3.6246 8.9380 124.6461 58.5103 41.7901 179.3719 67 E 3.8960 8.3286 116.7120 59.6524 29.0120 178.3717 68 L 4.2252 7.5513 116.7357 56.2013 41.8168 178.8329 69 T 4.0497 8.0074 117.6346 66.2888 68.2584 176.4756 70 K 3.8847 7.5737 118.9915 58.0307 32.3971 175.9748 71 N 4.7488 7.5884 118.5150 52.7087 39.1228 175.3429 72 E 3.6166 7.9044 124.4267 59.7235 30.3520 178.8669 73 S 4.4103 7.8757 111.0412 59.2926 62.5782 174.4738 74 C 4.2603 7.4092 117.5475 62.2751 29.8145 174.7387 *79 T 4.1367 7.3422 112.3762 62.1306 67.7483 173.1627 80 S 4.2690 7.7249 118.4092 58.5193 64.2387 173.2684 81 F 4.9755 6.9915 115.4501 56.7438 40.0191 172.4432 82 I 4.8702 8.8989 112.6669 59.5290 41.4008 174.2675 83 T 5.6948 8.2561 117.2979 60.4426 72.3810 175.0465 84 N 3.3877 9.0707 120.5820 55.4845 38.7380 175.4509 85 G 3.8149 7.6946 109.5982 45.5537 0.0000 174.1337 *86 S 4.4335 8.0774 118.3435 57.3090 66.2318 172.4373 *95 S 4.5484 8.3403 118.2034 57.7820 64.0747 175.7157 96 F 4.3473 8.0749 121.3560 61.2898 39.0876 176.9197 97 M 3.6816 7.9248 118.0094 58.3499 31.6832 177.9570 98 M 3.9173 7.8579 117.4596 58.8886 32.3947 178.1169 99 A 3.9831 7.8222 120.0471 54.7580 18.4403 179.6588 100 L 3.7040 7.6450 118.0644 58.0759 41.5684 178.3769 101 C 4.1105 8.1754 118.3898 59.9074 41.1435 175.4684 102 L 3.9389 8.1044 120.1736 57.9551 41.3233 179.6042 103 S 4.1119 8.3747 113.2174 61.4764 62.3227 176.1134 104 S 4.1339 8.5195 116.1506 61.4136 62.1125 176.1480 105 I 3.7086 8.0153 122.6922 64.7664 37.0650 177.7285 106 Y 4.0375 8.5406 120.5917 60.7935 38.4793 178.2339 107 E 4.0376 8.4181 119.6155 59.2487 29.6523 178.6655 108 D 4.4622 8.1233 119.0127 57.5716 40.9327 179.0392 109 L 4.0589 7.9487 119.2085 57.6633 41.5165 179.4035 110 K 3.7297 7.6238 119.1823 59.6505 32.1888 178.4659 111 M 3.8745 7.9639 118.7725 58.8931 31.9533 178.4905 112 Y 3.9296 7.7891 116.4418 60.9421 38.0834 178.2124 113 Q 4.1253 8.7961 120.9824 59.1648 28.9594 178.9170 114 V 3.5264 7.5783 118.8843 65.9766 31.6695 177.4709 115 E 3.7842 7.7484 117.8446 59.8121 29.2441 179.5072 116 F 4.2075 8.4300 117.5523 60.6682 38.9744 178.0291 117 K 4.0179 8.1191 117.7587 59.5580 31.8231 179.5607 118 T 3.8143 8.1161 116.1870 66.8561 68.4344 176.3618 119 M 4.0021 7.9993 120.4136 58.6946 31.8601 178.3871 120 N 4.4674 8.2957 115.4557 56.5164 39.0330 176.5735 121 A 4.1013 7.6960 121.5394 55.7247 18.9984 178.9844 122 K 3.7029 8.3021 116.3351 59.7086 32.0744 179.3300 123 L 3.9094 8.8949 120.0186 57.9111 41.6379 179.4326 124 L 4.0995 7.5810 119.0630 57.4644 42.1187 177.6671 125 M 4.0991 7.8656 116.4993 57.3202 32.4991 175.6604 126 D 4.5494 8.1023 119.6675 52.4865 40.5596 174.7305 127 P 4.4297 0.0000 0.0000 65.6291 31.0264 177.4183 128 K 4.2308 9.8330 116.4125 56.3680 32.5429 179.1484 129 R 3.4050 7.8626 119.2019 57.8146 29.4858 174.5267 130 Q 4.7042 8.2348 125.5068 56.0000 32.2748 174.0328 131 I 4.7609 7.3393 113.0392 60.7200 37.5348 175.8934 132 F 4.6615 9.0556 113.4715 57.4904 44.4500 175.6106 133 L 3.9562 8.5388 122.0005 58.4334 41.6117 178.6958 134 D 4.0957 8.0544 118.2513 56.5633 39.3120 178.2659 135 Q 3.9890 7.7874 118.3930 57.8333 28.7665 177.8374 136 N 4.2669 8.1250 118.8106 56.9058 39.0514 176.5680 137 M 3.9902 8.3783 120.3743 58.3419 32.0477 178.5712 138 L 3.5734 7.6882 120.1989 58.0548 42.2628 178.6493 139 A 3.9763 7.8767 120.6335 55.4247 18.2219 179.8249 140 V 3.7450 7.9307 116.5346 65.9995 31.4877 178.2262 141 I 3.6983 7.9922 119.9025 64.4932 36.9170 177.7127 142 D 4.3871 8.4463 119.8263 57.7125 40.7488 179.0014 143 E 3.9653 8.5355 118.9157 59.5815 29.5548 179.4779 144 L 4.0374 8.5637 119.1259 58.1178 41.4508 179.5574 145 M 4.2060 8.2071 117.8657 58.4867 31.9777 178.4287 146 Q 4.1844 8.1512 116.8340 59.2393 29.0800 178.6026 147 A 4.1612 7.8082 120.1530 55.8967 18.3817 178.3698 148 L 4.0139 7.9153 117.4898 56.7434 41.7233 177.5054 *167 Y 4.6892 7.5424 118.8873 57.8969 41.4645 177.1857 168 K 3.7707 8.3821 119.7622 60.3533 31.9430 178.5772 169 T 3.9566 7.8513 114.8251 66.2871 68.5545 176.8568 170 K 4.0811 7.8215 120.0175 58.9412 31.9965 179.4087 171 I 3.5536 7.6944 120.8523 64.2242 36.6436 178.1223 172 K 3.7765 7.7565 119.9008 59.4392 31.8250 178.4535 173 L 4.0290 7.7364 120.6418 57.8606 42.0774 177.8883 174 C 4.3527 8.0037 118.0495 59.9783 39.9313 175.4679 175 I 3.6289 7.9388 121.4397 64.5116 36.6071 178.1399 176 L 4.0858 7.5809 119.7600 57.9281 42.0717 178.7742 177 L 4.1934 8.1244 119.0259 58.1353 41.5190 179.3558 178 H 4.0952 8.2206 115.3155 58.9710 28.3989 177.7908 179 A 4.1198 8.0989 122.4851 55.0978 18.0776 179.3525 180 F 3.8841 8.5356 119.3372 60.8150 39.3745 177.5942 181 R 3.4656 7.6887 118.1223 59.3157 29.6039 178.4992 182 I 3.6039 7.4551 119.0950 64.3893 37.0922 178.4294 183 R 3.8620 7.5095 118.8107 59.1388 29.8108 178.2512 184 A 3.6705 7.9486 121.7278 54.7805 18.1230 179.5178 185 V 3.7401 7.6486 116.8443 66.5780 31.4691 178.0421 186 T 3.8166 7.4113 114.9029 66.9093 68.3723 176.1774 187 I 3.6711 7.7090 121.2229 64.7903 37.2492 177.9511 188 D 4.4427 8.9852 119.5773 57.3382 40.8453 178.6226 189 R 3.9453 8.2662 119.0812 59.3666 30.0557 179.4586 190 V 3.6926 8.0960 112.4885 64.5926 31.2927 178.5060 191 M 4.1150 8.3462 118.1664 58.5674 31.8872 178.4860 192 S 4.2722 8.2345 113.2166 61.1932 62.6302 175.6275 193 Y 4.2117 8.3846 122.8925 60.6206 38.4257 177.6330 194 L 4.0783 8.3717 118.7072 57.1142 41.7485 177.7825 195 N 4.2478 8.1135 115.1845 49.4791 38.5707 179.4477 196 A 3.5193 9.0385 127.9682 52.5571 19.1599 177.6526 197 S 4.5706 8.8022 114.2088 61.1152 62.4193 175.7910 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 20 Q 8.20 4.32 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 21 N 7.98 4.24 0.00 2.84 2.81 0.00 0.00 6.88 5.78 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 22 L 8.55 3.98 0.00 1.81 1.64 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.01 3.93 0.00 1.90 1.73 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.84 3.92 0.00 1.86 1.91 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 25 A 7.58 3.93 1.41 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 0.00 0.00 0.00 26 V 8.41 3.50 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 0.99 0.00 0.00 0.94 0.00 0.00 27 S 8.38 4.14 0.00 3.99 3.88 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 28 N 8.99 4.36 0.00 2.79 2.84 0.00 0.00 6.62 7.58 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 29 M 7.98 4.02 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 30 L 8.01 3.64 0.00 1.83 1.64 0.83 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.09 3.90 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 32 K 8.40 3.91 0.00 1.89 1.94 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 33 A 8.71 3.90 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 34 R 8.10 3.82 0.00 1.78 2.22 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 35 Q 8.37 4.18 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 36 T 7.95 4.26 4.18 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 1.16 0.00 0.00 37 L 8.16 4.29 0.00 1.76 1.77 0.75 0.54 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 38 E 8.60 4.19 0.00 1.95 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 2.40 2.45 0.00 39 F 8.86 4.28 0.00 3.04 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 40 Y 7.57 4.70 0.00 3.19 2.96 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 41 P 0.00 4.29 0.00 2.11 1.10 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 42 C 8.54 4.01 0.00 3.13 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 S 8.36 4.17 0.00 3.94 4.01 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 59 T 8.36 3.85 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 60 V 7.79 3.57 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 0.85 0.00 0.00 0.93 0.00 0.00 61 E 7.81 4.18 0.00 2.13 1.97 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 2.30 2.31 0.00 62 A 7.98 3.62 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 63 C 7.77 4.95 0.00 3.00 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 64 L 8.57 4.16 0.00 1.81 1.58 0.88 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.47 0.00 1.94 0.98 0.00 3.51 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.25 0.00 66 L 8.94 3.62 0.00 1.73 1.68 -0.35 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.33 3.90 0.00 2.19 2.23 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 2.38 2.43 0.00 68 L 7.55 4.23 0.00 1.75 1.72 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.01 4.05 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 1.13 0.00 0.00 70 K 7.57 3.88 0.00 1.66 1.85 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.47 7.81 71 N 7.59 4.75 0.00 2.69 2.82 0.00 0.00 7.07 8.96 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 72 E 7.90 3.62 0.00 1.99 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 2.31 2.42 0.00 73 S 7.88 4.41 0.00 3.97 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 74 C 7.41 4.26 0.00 2.99 2.95 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 *79 T 7.34 4.14 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 1.28 0.00 0.00 80 S 7.72 4.27 0.00 3.86 3.67 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 81 F 6.99 4.98 0.00 3.11 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 82 I 8.90 4.87 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.29 0.94 0.00 0.00 83 T 8.26 5.69 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 1.29 0.00 0.00 84 N 9.07 3.39 0.00 2.57 2.83 0.00 0.00 6.87 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 85 G 7.69 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 *86 S 8.08 4.43 0.00 3.58 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.55 0.00 3.90 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 96 F 8.07 4.35 0.00 3.10 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 97 M 7.92 3.68 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 98 M 7.86 3.92 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.69 0.00 99 A 7.82 3.98 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 0.00 100 L 7.65 3.70 0.00 1.57 1.52 0.46 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 101 C 8.18 4.11 0.00 3.14 3.27 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 0.00 102 L 8.10 3.94 0.00 1.73 1.74 0.93 0.71 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 0.00 103 S 8.37 4.11 0.00 3.85 4.14 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 0.00 104 S 8.52 4.13 0.00 3.88 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 0.00 105 I 8.02 3.71 2.10 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 1.45 0.62 0.98 0.00 0.00 106 Y 8.54 4.04 0.00 3.15 3.15 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 0.00 0.00 0.00 0.00 107 E 8.42 4.04 0.00 2.23 2.01 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 2.61 2.55 0.00 108 D 8.12 4.46 0.00 3.07 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 0.00 109 L 7.95 4.06 0.00 1.62 1.61 0.93 0.98 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 0.00 110 K 7.62 3.73 0.00 1.79 1.78 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.38 7.81 111 M 7.96 3.87 0.00 1.73 2.08 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 2.52 2.44 0.00 112 Y 7.79 3.93 0.00 3.08 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 0.00 113 Q 8.80 4.13 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 114 V 7.58 3.53 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 0.99 0.00 0.00 0.89 0.00 0.00 115 E 7.75 3.78 0.00 1.89 1.61 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 2.24 2.18 0.00 116 F 8.43 4.21 0.00 3.05 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 0.00 117 K 8.12 4.02 0.00 1.84 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.77 7.81 118 T 8.12 3.81 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 1.17 0.00 0.00 119 M 8.00 4.00 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 120 N 8.30 4.47 0.00 2.83 2.99 0.00 0.00 7.31 8.57 0.00 0.00 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 A 7.70 4.10 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 0.00 122 K 8.30 3.70 0.00 1.97 1.80 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 123 L 8.89 3.91 0.00 1.91 1.74 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.58 4.10 0.00 1.77 1.80 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 M 7.87 4.10 0.00 2.06 2.11 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 2.60 2.47 0.00 126 D 8.10 4.55 0.00 2.72 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 0.00 127 P 0.00 4.43 0.00 2.22 2.22 0.00 3.83 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 2.01 2.04 0.00 128 K 9.83 4.23 0.00 2.06 1.92 0.00 1.71 0.00 0.00 2.02 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.48 7.81 129 R 7.86 3.40 0.00 1.84 1.69 0.00 3.32 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 130 Q 8.23 4.70 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 131 I 7.34 4.76 2.05 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 1.43 0.98 0.99 0.00 0.00 132 F 9.06 4.66 0.00 3.17 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 0.00 133 L 8.54 3.96 0.00 1.69 1.53 0.69 1.14 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 0.00 134 D 8.05 4.10 0.00 2.99 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 0.00 135 Q 7.79 3.99 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 136 N 8.13 4.27 0.00 2.99 2.80 0.00 0.00 7.01 7.22 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 0.00 137 M 8.38 3.99 0.00 1.76 1.41 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 138 L 7.69 3.57 0.00 1.47 1.50 0.89 0.91 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 0.00 139 A 7.88 3.98 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 0.00 140 V 7.93 3.75 2.22 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 1.04 0.00 0.00 0.96 0.00 0.00 141 I 7.99 3.70 1.92 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.49 0.85 0.00 0.00 142 D 8.45 4.39 0.00 2.78 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 0.00 143 E 8.54 3.97 0.00 2.10 2.02 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 2.34 2.44 0.00 144 L 8.56 4.04 0.00 1.92 1.77 0.98 1.10 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 0.00 145 M 8.21 4.21 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.16 0.00 146 Q 8.15 4.18 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 147 A 7.81 4.16 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 0.00 148 L 7.92 4.01 0.00 2.06 1.71 1.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *167 Y 7.54 4.69 0.00 3.08 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 0.00 168 K 8.38 3.77 0.00 1.90 1.84 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.56 7.81 169 T 7.85 3.96 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 0.00 170 K 7.82 4.08 0.00 1.81 1.82 0.00 1.79 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.57 7.81 171 I 7.69 3.55 1.81 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 0.68 0.60 0.83 0.00 0.00 172 K 7.76 3.78 0.00 1.80 1.89 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 173 L 7.74 4.03 0.00 1.87 1.91 1.01 1.24 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 0.00 174 C 8.00 4.35 0.00 3.20 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 0.00 175 I 7.94 3.63 2.04 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 1.39 0.66 0.92 0.00 0.00 176 L 7.58 4.09 0.00 1.89 1.65 0.81 -0.41 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 0.00 177 L 8.12 4.19 0.00 1.76 1.54 0.30 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 178 H 8.22 4.10 0.00 3.40 3.37 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 8.10 4.12 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 3.88 0.00 2.74 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 0.00 181 R 7.69 3.47 0.00 1.98 1.98 0.00 3.25 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 182 I 7.46 3.60 2.02 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 1.39 0.80 0.90 0.00 0.00 183 R 7.51 3.86 0.00 1.98 1.90 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 184 A 7.95 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 185 V 7.65 3.74 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 1.04 0.00 0.00 0.88 0.00 0.00 186 T 7.41 3.82 4.37 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 0.00 0.00 1.19 0.00 0.00 187 I 7.71 3.67 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.93 0.00 0.00 188 D 8.99 4.44 0.00 2.70 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 0.00 189 R 8.27 3.95 0.00 2.01 1.94 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 190 V 8.10 3.69 2.11 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 0.83 0.00 0.00 0.98 0.00 0.00 191 M 8.35 4.11 0.00 1.96 2.22 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 2.83 2.59 0.00 192 S 8.23 4.27 0.00 3.92 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 0.00 193 Y 8.38 4.21 0.00 3.07 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 0.00 194 L 8.37 4.08 0.00 1.87 1.75 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 195 N 8.11 4.25 0.00 2.71 2.64 0.00 0.00 7.07 7.23 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 0.00 196 A 9.04 3.52 0.94 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 0.00 0.00 197 S 8.80 4.57 0.00 4.07 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 * Residues marked with a * may have inaccurate shift predictions.