NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5735 8.1233 122.4752 51.8993 20.9531 175.2502 3 N 5.2734 9.5787 119.6021 51.3097 40.8904 172.3080 4 I 5.1267 9.2296 125.5784 59.4775 40.9860 174.4330 5 V 4.8227 8.6857 127.2196 60.9629 32.8715 175.3006 6 F 4.9213 9.0085 129.1790 57.0814 41.4960 172.9385 7 I 4.7532 8.3813 125.3393 59.6018 41.8919 173.0010 8 A 5.4053 8.5363 128.2573 50.8097 20.7234 176.2111 9 T 5.1652 9.2140 115.6045 60.0648 71.6173 173.5570 10 S 4.2050 8.6397 122.0680 57.8387 64.0544 174.9133 11 L 3.9520 8.4644 122.8531 58.2683 41.4714 177.4546 12 D 4.5599 8.1110 116.0531 53.2963 39.5566 176.9356 13 G 3.6906 8.2248 107.4807 46.3800 0.0000 172.8892 14 Y 4.9415 7.8504 117.3066 56.2954 39.2762 176.5365 15 I 4.4487 8.7318 115.8180 61.1192 39.0946 175.3179 16 A 5.0462 7.5792 123.2723 50.6631 22.2542 175.3714 17 D 4.7441 8.8719 120.3133 51.8431 40.9422 177.3910 18 K 3.8649 8.3125 117.4468 59.1031 32.3069 177.5346 19 R 4.3370 8.2537 116.9770 55.7570 30.5474 176.7657 20 G 3.9224 8.3583 106.4916 45.3777 0.0000 173.7586 21 K 4.6239 8.6961 119.6637 55.0343 34.2957 176.5843 22 L 4.6816 8.0718 117.0718 54.5703 42.8321 178.5564 23 D 4.4089 8.3090 122.2809 57.1335 40.9393 178.8092 24 W 4.2319 8.0473 115.4265 58.7384 28.3527 178.0863 25 L 2.8943 6.3399 118.8554 57.0951 40.9046 177.2145 26 H 4.8340 7.7469 114.9670 55.8294 28.7378 175.6994 27 S 4.6086 7.7555 113.0315 58.1777 63.3863 173.8404 28 V 4.3898 7.5365 121.0065 60.3068 33.5540 173.2335 29 P 4.4797 0.0000 0.0000 63.2043 32.6552 176.3706 30 N 5.0082 8.1786 116.8516 52.1182 39.2740 173.5178 31 P 4.2405 0.0000 0.0000 65.3173 32.0512 177.5663 32 N 4.6114 8.1253 113.8793 52.1902 39.3894 174.1795 33 N 4.1183 7.9867 115.2920 54.2350 36.5245 175.0307 34 V 3.7316 8.7198 117.0907 62.5729 32.7154 174.7749 35 D 4.6216 8.6265 126.9422 54.3629 41.6855 175.8529 36 T 4.6102 8.9618 116.1190 61.2253 69.2917 173.8782 37 G 3.7059 8.2146 113.9381 46.5490 0.0000 176.8044 38 F 3.5051 8.4629 122.3875 61.1838 39.6229 176.4346 39 V 3.5421 8.2284 118.7558 65.8658 31.7445 176.9917 40 A 4.0148 7.8935 122.2630 55.1157 18.5483 179.5334 41 L 3.6632 7.7221 115.1290 55.7631 41.3879 178.4546 *43 E 4.2059 8.2590 117.6906 55.9572 31.3168 177.4331 44 R 3.9630 7.7928 117.3521 59.2154 30.2578 177.4017 45 V 4.1327 7.3387 109.4300 61.2109 32.3108 175.7232 46 D 4.7069 9.1124 121.4941 55.6306 41.9308 176.4554 47 G 4.2376 7.5255 104.2461 46.2510 0.0000 171.7874 48 L 5.4263 8.4125 119.5429 52.7780 44.8191 176.2652 49 V 5.4948 7.8647 121.7020 60.5963 34.8468 175.5664 *51 G 3.9938 8.2243 113.9967 45.4751 0.0000 173.0867 52 R 3.9404 8.4209 116.4932 59.3099 29.6696 178.8670 53 N 4.3437 7.9731 115.1764 56.6478 38.6168 177.1456 54 T 4.0305 7.7762 116.6907 66.1171 68.5589 176.3710 55 L 4.0586 7.7543 122.0559 58.3074 42.0633 180.1649 56 D 4.4557 7.8520 116.3312 54.7647 41.0249 178.8042 *58 V 3.4301 7.7320 120.0837 62.7961 33.2005 177.4996 59 L 4.0509 7.8893 119.8663 57.6795 41.5393 179.6915 60 S 4.1551 7.7089 112.2821 60.6531 62.9739 175.3693 61 F 4.5591 7.5776 118.9597 58.2669 39.3753 174.4518 62 D 4.4039 7.7953 120.2082 55.0145 39.5089 170.6067 63 C 4.9306 7.4813 112.2946 56.3046 33.6129 173.7813 64 D 4.5107 8.5501 119.5203 53.6543 40.8043 176.3981 65 W 4.5412 9.1275 132.5859 57.9527 30.6968 173.8636 66 P 4.3447 0.0000 0.0000 63.0811 31.4357 174.9890 67 Y 4.7777 6.4732 117.6980 56.5018 39.1966 175.7856 68 S 4.5397 8.8516 118.9376 59.2156 63.9369 173.9086 69 K 4.8494 7.7337 119.4274 53.5224 35.4650 173.8273 70 P 4.5131 0.0000 0.0000 63.1197 32.7150 175.4404 71 V 4.4595 8.4321 123.0197 61.1835 34.0301 174.1910 72 F 5.1900 9.2963 128.2437 56.3651 40.7195 175.0394 73 V 4.3349 8.9641 125.2712 61.2148 32.8818 174.6767 74 L 4.7660 8.6256 131.2409 55.1577 42.2956 175.8850 75 S 4.6093 8.7562 120.8842 57.3450 65.5979 173.6260 76 N 4.8084 8.9610 123.2898 53.3451 39.2867 175.4636 77 T 4.5560 7.3881 107.5349 60.6588 68.3087 174.3840 *79 T 4.3818 7.5885 110.9572 61.3288 71.2957 174.4322 80 E 4.7026 7.8284 118.1760 54.0373 32.4201 175.4589 81 V 3.9048 8.0490 120.2508 61.2820 32.8156 174.0789 82 P 4.2732 0.0000 0.0000 62.4613 31.7579 175.8151 83 Q 4.5439 7.9890 122.8292 57.3056 29.3014 176.5440 84 G 3.7389 8.8727 113.6194 45.3910 0.0000 173.7124 85 Y 4.1232 7.6698 116.0996 57.5843 38.1929 177.6069 86 E 3.7726 7.9070 122.8886 58.7982 29.6555 177.9120 87 D 4.9078 7.7260 115.6271 53.2870 40.2706 176.6608 88 K 4.5899 7.2270 118.1200 56.3730 35.6403 176.0638 89 V 4.6879 7.1944 118.8002 60.8597 34.3627 175.0263 90 F 4.8674 8.9646 125.7182 55.6160 42.8732 173.9723 91 L 4.9924 8.7315 122.8039 54.1957 43.0299 176.4863 92 V 4.5760 9.1531 118.7608 60.0901 34.9782 175.4360 93 K 4.7705 8.7336 127.7914 54.6326 34.7990 172.7462 94 G 3.8859 8.6215 107.0986 43.8434 0.0000 173.9987 95 K 4.1207 8.6348 119.2889 55.9134 33.8425 177.4537 96 L 3.8179 8.4308 124.2283 58.1406 41.7291 180.0281 97 V 3.6052 7.6631 117.3441 65.9718 31.2728 177.7280 98 D 4.2634 7.8908 118.1456 57.2897 40.8358 178.3156 99 I 3.6326 7.8613 120.5344 64.6852 37.0738 178.5427 100 I 3.6919 8.1503 120.5432 64.2048 36.8965 178.4200 101 A 3.9652 7.8159 121.5222 55.3232 18.1095 179.4939 102 D 4.3026 8.3863 117.7806 57.3183 40.7777 179.0699 103 L 3.8878 7.9731 119.4807 57.8689 41.6184 179.1052 104 N 4.4667 8.6713 117.7688 55.8333 38.3076 177.2273 105 A 4.1014 7.8897 120.5919 54.8512 18.4579 178.8242 106 K 4.3902 7.5663 114.4837 56.4295 32.3198 177.9129 107 G 3.7923 8.4059 108.3116 45.3197 0.0000 174.9524 108 F 4.5102 8.2762 120.4927 56.0880 37.5547 175.3644 109 N 4.6276 8.6734 121.3871 53.2276 40.6103 174.8712 110 E 4.9321 8.8685 118.6523 54.6036 31.8338 175.3802 111 L 5.2869 9.1606 125.1962 53.0017 45.7438 175.2444 112 Y 5.1621 8.9036 125.1035 56.7414 40.2775 174.0790 113 I 4.6100 9.0900 129.3490 60.0669 38.7027 174.7011 114 D 4.8573 8.9010 126.4853 52.9782 45.0125 175.3519 115 G 3.8963 9.1067 110.1855 45.9018 0.0000 174.1654 116 G 3.7565 9.0469 111.4344 48.3117 0.0000 175.8416 117 V 3.6656 7.7103 120.6657 65.5718 31.5978 178.1253 118 T 3.9476 7.8162 115.0065 66.7312 68.4408 176.3751 119 I 3.6657 8.2379 121.9703 64.7480 37.1570 178.4247 120 Q 4.1928 8.2959 118.6152 59.2298 28.1521 178.8569 121 N 4.4745 8.2751 117.3710 56.1673 38.5039 177.5723 122 F 4.1229 8.8550 119.4436 60.5886 39.0307 177.6201 123 L 4.1417 8.6687 119.0416 57.9380 41.2442 179.8147 124 K 4.1257 8.2990 117.1836 58.4490 31.9259 178.2038 125 E 4.4913 7.4284 115.4510 54.6204 30.4067 175.1487 126 D 4.3822 7.9660 117.0610 55.7123 40.0888 173.8520 127 L 4.6372 8.3585 114.3015 54.3925 42.2338 176.5614 128 I 4.6173 7.7857 120.1554 60.1318 38.7649 174.8452 129 D 4.8613 9.0864 124.6452 55.6955 43.2134 175.7223 130 E 5.3089 7.6559 115.2886 54.0045 34.7665 174.3820 *132 V 4.2709 8.2617 119.4402 63.7425 32.8848 174.6412 133 I 4.7695 8.6332 129.7734 60.0156 39.3542 175.0800 134 T 4.7906 8.6046 124.3803 62.0591 70.5306 173.4036 135 R 5.1138 9.0446 128.6050 54.7799 31.9185 175.1442 136 F 4.8017 9.4574 126.2531 55.2295 40.3497 174.6083 137 P 4.7567 0.0000 0.0000 62.0931 29.7999 176.4584 138 I 4.5040 7.3589 119.0700 59.9973 41.3871 173.2858 139 L 4.7939 8.3912 127.4033 53.2139 40.5190 176.7454 140 L 3.8547 8.8794 124.9799 55.4520 41.9628 178.8738 141 G 3.8057 8.7547 105.5276 44.3734 0.0000 173.4485 142 G 3.9071 6.4595 109.4238 44.7655 0.0000 173.8941 143 G 3.2133 7.0949 106.2871 44.4377 0.0000 172.3953 144 V 4.1887 7.8232 123.2571 61.1860 32.4609 175.4965 145 P 4.6968 0.0000 0.0000 62.4806 31.6211 176.6227 146 L 3.8935 8.5772 125.9935 57.6938 42.2081 177.2613 147 F 5.2447 7.9213 114.9625 55.7122 42.2920 175.5199 148 G 4.1119 8.2982 113.1021 45.2651 0.0000 172.3311 149 E 4.5017 8.7631 123.3933 55.3620 30.8570 175.5515 150 L 4.9293 7.9655 120.4601 52.7267 45.7165 176.7219 151 E 4.1503 9.0416 121.6101 59.0474 29.5928 177.5795 152 S 4.7283 7.5245 109.8104 55.9696 66.2389 173.6547 153 S 4.3429 8.4407 115.7527 58.2220 63.5238 173.4417 154 L 4.6574 8.2056 120.8660 53.1078 44.4751 176.2330 155 S 4.9001 8.2406 119.0319 57.2901 65.2310 173.0585 156 F 5.2072 8.7517 120.2142 55.9604 43.4260 173.4832 157 N 5.1263 9.4507 117.2030 51.4505 41.3104 174.7429 158 V 3.9416 8.4634 123.3737 63.0419 31.3380 175.6179 159 I 4.0192 8.6853 130.6835 63.7539 37.9690 176.6720 160 K 4.3102 7.3363 118.9110 55.6332 35.2591 173.9545 161 S 5.2028 8.5909 120.6074 56.8123 65.6421 172.4252 162 E 4.7371 8.8867 122.8304 55.1614 33.3408 173.9026 163 V 4.3836 8.2412 121.0234 62.4577 32.5921 175.4745 164 V 4.3812 8.7082 121.0283 59.9346 35.3296 175.7112 165 L 3.6080 9.2574 121.5700 55.9202 39.3739 177.2431 166 D 4.6821 8.5043 122.6820 55.0224 39.9301 175.1027 167 S 4.6271 8.2320 109.9445 57.6068 64.4968 173.5559 168 L 4.8140 7.7479 122.3121 53.3589 44.0884 175.3698 169 T 4.8997 8.2272 112.4006 60.1884 71.6264 173.3331 170 Q 4.9628 9.4558 125.4043 54.8273 32.0643 173.8376 171 T 4.9761 8.9147 123.4979 61.9500 72.1655 173.2649 172 T 4.7486 8.6069 122.8611 62.1504 70.8438 172.9051 173 Y 5.2288 8.6637 124.1678 56.5620 40.8993 174.3695 174 H 5.5745 9.1502 121.1039 53.7965 31.7512 174.0960 175 R 3.6444 8.9685 123.9462 56.1494 30.6718 176.1874 176 K 4.1702 8.3022 128.3629 56.0011 32.2769 176.9760 177 R 4.1603 8.3738 125.7389 56.3195 30.2273 176.7715 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 2 A 8.12 4.57 1.37 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 0.00 0.00 0.00 3 N 9.58 5.27 0.00 2.98 2.91 0.00 0.00 6.68 6.58 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 4 I 9.23 5.13 1.94 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 1.35 0.74 0.97 0.00 0.00 5 V 8.69 4.82 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 0.91 0.00 0.00 1.00 0.00 0.00 6 F 9.01 4.92 0.00 2.84 2.57 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 7 I 8.38 4.75 1.94 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 1.19 1.17 0.87 0.00 0.00 8 A 8.54 5.41 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 9 T 9.21 5.17 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 1.27 0.00 0.00 10 S 8.64 4.20 0.00 3.96 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 11 L 8.46 3.95 0.00 1.85 1.89 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.11 4.56 0.00 2.83 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 13 G 8.22 3.69 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 0.00 0.00 0.00 14 Y 7.85 4.94 0.00 2.70 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 15 I 8.73 4.45 1.96 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 1.46 0.68 0.89 0.00 0.00 16 A 7.58 5.05 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 17 D 8.87 4.74 0.00 2.78 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 18 K 8.31 3.86 0.00 1.78 1.81 0.00 1.46 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.41 7.81 19 R 8.25 4.34 0.00 1.92 1.97 0.00 3.24 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 20 G 8.36 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 21 K 8.70 4.62 0.00 2.18 1.79 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.57 7.81 22 L 8.07 4.68 0.00 1.53 1.20 1.03 0.99 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 23 D 8.31 4.41 0.00 2.77 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 24 W 8.05 4.23 0.00 3.49 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 25 L 6.34 2.89 0.00 1.02 1.14 0.36 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 26 H 7.75 4.83 0.00 3.09 3.25 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.76 4.61 0.00 4.05 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 28 V 7.54 4.39 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 29 P 0.00 4.48 0.00 2.22 2.04 0.00 3.82 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 1.98 1.95 0.00 30 N 8.18 5.01 0.00 2.76 2.68 0.00 0.00 6.80 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 31 P 0.00 4.24 0.00 2.21 2.17 0.00 3.80 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 1.98 1.99 0.00 32 N 8.13 4.61 0.00 2.72 2.88 0.00 0.00 7.04 8.00 0.00 0.00 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 N 7.99 4.12 0.00 2.81 2.83 0.00 0.00 6.86 7.24 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 34 V 8.72 3.73 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 0.72 0.00 0.00 0.97 0.00 0.00 35 D 8.63 4.62 0.00 2.69 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 36 T 8.96 4.61 4.31 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 1.23 0.00 0.00 37 G 8.21 3.71 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 0.00 0.00 0.00 38 F 8.46 3.51 0.00 2.98 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 39 V 8.23 3.54 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 0.77 0.00 0.00 1.06 0.00 0.00 40 A 7.89 4.01 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 41 L 7.72 3.66 0.00 1.15 1.13 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 *43 E 8.26 4.21 0.00 2.21 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 2.18 2.26 0.00 44 R 7.79 3.96 0.00 1.82 2.05 0.00 3.22 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 45 V 7.34 4.13 2.31 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 0.80 0.00 0.00 1.04 0.00 0.00 46 D 9.11 4.71 0.00 2.83 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 47 G 7.53 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 0.00 0.00 0.00 0.00 48 L 8.41 5.43 0.00 1.33 1.20 0.85 -0.05 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 49 V 7.86 5.49 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 1.04 0.00 0.00 1.07 0.00 0.00 *51 G 8.22 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.58 4.56 0.00 3.19 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 62 D 7.80 4.40 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 63 C 7.48 4.93 0.00 3.07 2.90 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 64 D 8.55 4.51 0.00 2.74 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 65 W 9.13 4.54 0.00 3.42 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 66 P 0.00 4.34 0.00 1.59 1.75 0.00 2.36 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.25 0.00 67 Y 6.47 4.78 0.00 2.80 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 68 S 8.85 4.54 0.00 4.05 4.05 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 69 K 7.73 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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 *79 T 7.59 4.38 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 1.22 0.00 0.00 80 E 7.83 4.70 0.00 2.03 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 2.14 2.23 0.00 81 V 8.05 3.90 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 0.73 0.00 0.00 0.88 0.00 0.00 82 P 0.00 4.27 0.00 2.16 1.92 0.00 3.54 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 83 Q 7.99 4.54 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 84 G 8.87 3.74 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 0.00 0.00 0.00 85 Y 7.67 4.12 0.00 2.96 2.51 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 86 E 7.91 3.77 0.00 1.97 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 2.34 2.27 0.00 87 D 7.73 4.91 0.00 2.79 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 88 K 7.23 4.59 0.00 1.36 1.34 0.00 0.90 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.16 7.81 89 V 7.19 4.69 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 0.66 0.00 0.00 0.74 0.00 0.00 90 F 8.96 4.87 0.00 3.09 2.99 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 91 L 8.73 4.99 0.00 1.58 1.63 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 92 V 9.15 4.58 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 0.72 0.00 0.00 1.03 0.00 0.00 93 K 8.73 4.77 0.00 1.50 1.54 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.97 7.81 94 G 8.62 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 95 K 8.63 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2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.03 1.13 0.00 0.00 129 D 9.09 4.86 0.00 2.67 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 0.00 130 E 7.66 5.31 0.00 1.95 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 0.00 2.10 2.13 0.00 *132 V 8.26 4.27 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 1.04 0.00 0.00 1.11 0.00 0.00 133 I 8.63 4.77 2.06 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 1.42 0.93 0.98 0.00 0.00 134 T 8.60 4.79 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 1.10 0.00 0.00 135 R 9.04 5.11 0.00 1.91 1.83 0.00 3.13 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 136 F 9.46 4.80 0.00 3.27 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 0.00 137 P 0.00 4.76 0.00 2.11 2.13 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 138 I 7.36 4.50 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 1.00 0.00 0.00 139 L 8.39 4.79 0.00 1.67 1.61 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.88 3.85 0.00 1.42 1.41 -0.41 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.75 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 0.00 142 G 6.46 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 0.00 0.00 0.00 143 G 7.09 3.21 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 0.00 144 V 7.82 4.19 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 0.95 0.00 0.00 0.96 0.00 0.00 145 P 0.00 4.70 0.00 2.07 1.86 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 146 L 8.58 3.89 0.00 1.30 1.07 0.62 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 147 F 7.92 5.24 0.00 3.04 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 0.00 148 G 8.30 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.76 4.50 0.00 1.99 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 2.29 2.34 0.00 150 L 7.97 4.93 0.00 1.57 1.67 0.96 0.97 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 0.00 151 E 9.04 4.15 0.00 1.96 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 2.32 2.31 0.00 152 S 7.52 4.73 0.00 3.89 3.76 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 0.00 153 S 8.44 4.34 0.00 3.98 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 0.00 154 L 8.21 4.66 0.00 1.71 1.43 1.07 0.89 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 0.00 155 S 8.24 4.90 0.00 3.69 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 0.00 156 F 8.75 5.21 0.00 2.94 3.23 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 0.00 157 N 9.45 5.13 0.00 2.66 2.74 0.00 0.00 7.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 8.46 3.94 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 0.65 0.00 0.00 0.89 0.00 0.00 159 I 8.69 4.02 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.33 0.82 0.00 0.00 160 K 7.34 4.31 0.00 1.73 1.51 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.31 7.81 161 S 8.59 5.20 0.00 3.74 3.58 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 0.00 162 E 8.89 4.74 0.00 2.03 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 0.00 2.17 2.23 0.00 163 V 8.24 4.38 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 0.83 0.00 0.00 0.91 0.00 0.00 164 V 8.71 4.38 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 0.74 0.00 0.00 0.85 0.00 0.00 165 L 9.26 3.61 0.00 1.74 1.66 0.88 1.13 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 0.00 166 D 8.50 4.68 0.00 2.81 2.80 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 0.00 167 S 8.23 4.63 0.00 3.87 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 0.00 168 L 7.75 4.81 0.00 1.54 1.30 0.40 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 169 T 8.23 4.90 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 1.19 0.00 0.00 170 Q 9.46 4.96 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 171 T 8.91 4.98 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 0.48 0.00 0.00 172 T 8.61 4.75 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 1.25 0.00 0.00 173 Y 8.66 5.23 0.00 2.78 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 0.00 174 H 9.15 5.57 0.00 3.21 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.97 3.64 0.00 1.82 1.81 0.00 2.63 0.00 0.00 2.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 176 K 8.30 4.17 0.00 1.87 1.66 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.43 7.81 177 R 8.37 4.16 0.00 2.09 1.80 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.