NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 Q 4.2944 8.3449 121.7158 56.0554 30.1533 178.8497 33 C 4.9054 8.6734 110.1330 55.3539 42.1240 171.2978 34 G 4.0571 8.8773 108.9701 46.9254 0.0000 174.3594 35 Q 4.3701 8.5892 119.5857 56.4318 29.3312 177.2333 36 T 3.9109 7.9629 116.2720 67.2986 68.6423 175.9984 37 A 3.5623 7.8685 122.1602 54.7452 18.3304 177.6797 38 P 4.1080 0.0000 0.0000 65.6790 31.3728 178.8406 39 L 4.0450 7.5393 117.3371 57.5980 41.3255 179.2948 40 I 3.6723 7.5160 118.9784 64.4115 37.1369 177.6710 41 N 4.3660 8.2073 117.7165 56.7861 38.7980 176.4630 42 E 3.9273 8.2034 120.0010 59.7864 29.4255 179.5611 43 R 4.1132 8.0517 118.3345 59.5008 29.9626 178.5694 44 L 4.1679 7.6204 117.8074 57.1560 41.7141 178.9729 45 S 4.3909 7.6393 112.7196 59.9364 64.2819 174.3638 46 Y 4.3369 7.5538 124.0776 56.7689 36.6598 175.9505 *48 K 3.8731 7.6468 122.9048 56.4159 34.8798 177.3075 49 D 4.8114 8.4553 118.3483 57.3253 40.7101 178.6140 50 V 3.6499 7.8744 118.4065 65.9884 31.5594 177.5885 51 A 4.2414 8.3544 120.1537 55.4327 18.0846 179.5432 52 G 3.8554 8.8951 104.1939 48.2939 0.0000 175.2039 53 Y 4.0949 8.3442 122.2293 60.3548 38.8230 178.0186 54 K 4.0437 8.6666 119.4574 59.4886 32.2671 179.1317 55 A 4.0584 8.5369 121.2347 55.4011 18.2040 179.4160 56 E 3.8321 8.1452 115.9170 59.0137 29.5493 178.5037 57 N 4.6587 7.5333 112.5330 51.8372 39.7430 174.5036 58 H 4.0285 7.4172 116.1436 56.7185 26.9503 174.7549 59 L 4.6282 8.3189 117.9241 52.7386 43.3086 175.9545 60 P 4.5987 0.0000 0.0000 62.3853 32.1729 176.9764 61 I 3.7374 8.3785 121.6609 64.1922 37.1973 176.5998 62 E 4.1566 7.9956 120.4829 55.3995 30.2319 175.6404 63 D 4.7178 8.3456 124.4736 51.7580 43.0371 175.7961 64 R 3.9723 8.4262 126.9367 59.0486 30.2929 178.7932 65 I 3.7432 7.7745 112.5398 63.8944 37.6959 177.9869 66 Q 3.9530 8.6184 121.4773 59.0476 28.8303 178.0063 67 E 3.9985 8.3546 119.6712 59.4831 29.4182 179.2556 68 E 3.9960 8.4780 118.8048 59.1341 29.5330 179.3944 69 K 3.9263 8.1309 118.6546 59.3929 32.1282 179.3633 70 V 3.5505 7.8709 118.2967 66.2140 31.2658 178.1662 71 I 3.7301 7.8290 118.2772 64.4664 37.0226 177.8130 72 N 4.4745 8.3186 116.6171 56.5568 38.6048 177.3723 73 S 4.3227 8.1396 116.1981 61.2304 62.8630 176.9099 74 A 4.0267 7.8520 119.8901 52.9622 18.0834 178.9861 *76 A 4.3304 7.8998 123.4134 53.7720 20.9503 179.6156 77 Q 3.9161 8.5653 116.0472 59.5298 29.0087 178.6233 78 A 4.0500 8.6465 122.0635 55.0000 18.3943 179.4979 79 E 3.8607 7.9630 115.6088 59.9509 29.6574 179.2240 80 S 4.1402 7.6963 115.4641 61.0627 63.0499 176.3736 81 L 4.2924 7.7308 118.9579 55.3684 41.7890 177.7270 82 G 3.8808 8.1957 107.4518 45.6827 0.0000 172.6540 83 L 4.8511 7.6493 118.8171 52.4608 43.3562 177.2417 84 N 4.4078 8.5399 120.4524 54.1879 36.0777 176.3777 85 G 3.8495 8.7697 116.8639 45.9452 0.0000 173.0673 86 E 4.2824 8.7609 122.0084 58.3909 30.8979 178.2767 87 S 4.2052 7.8343 112.3676 60.3386 63.5890 175.9319 88 I 3.9688 7.3129 122.5196 63.6612 36.7405 177.5556 89 K 3.8222 7.2721 119.1899 59.4882 32.2226 176.6950 90 P 4.4578 0.0000 0.0000 65.1272 31.1648 178.1641 91 L 4.7456 7.5098 116.0463 55.3538 41.7191 178.4279 *93 V 3.9737 7.9389 118.3714 62.4145 33.3187 177.1251 94 A 4.0869 8.4679 121.7956 55.4485 17.9887 179.7524 95 Q 3.9641 8.3444 116.3203 59.1424 28.7791 178.7439 96 I 3.7054 7.7933 120.3144 64.6152 37.0997 178.0325 97 N 4.3527 8.6708 117.3435 56.2273 38.3870 177.3067 98 A 3.9809 8.1248 121.9377 55.0861 18.4909 179.5266 99 A 3.9637 8.2607 119.4287 55.3073 18.4414 180.0032 100 K 3.6736 8.3899 117.1164 59.4075 32.2104 179.3295 101 A 4.1446 8.3159 121.2560 55.2664 18.3177 179.5447 102 I 3.7557 7.6839 119.4606 64.0551 37.2635 178.6070 103 Q 4.0468 7.9943 118.5187 59.3186 28.5848 178.4697 104 Y 4.3645 8.4308 117.9992 61.4411 37.8605 179.1905 105 R 3.8824 7.9641 118.5154 59.0518 30.0800 178.6488 106 Y 3.2842 7.5186 116.6410 60.7977 37.4768 178.7993 107 R 4.0141 7.6600 117.4681 59.0785 30.1543 178.6949 108 A 4.1523 8.0114 120.4525 55.4485 18.3651 179.4985 109 D 4.3009 8.0176 117.4005 57.2995 40.6442 179.0802 110 W 4.6422 8.0638 118.3513 59.3220 29.0410 178.1293 111 L 4.2668 7.7380 118.9366 57.0538 41.1749 177.9968 112 S 4.7415 8.0977 109.9890 58.3847 65.1813 174.1155 113 Q 4.6281 8.3119 119.6131 53.1151 29.0308 172.9582 114 P 4.3395 0.0000 0.0000 63.1220 32.3701 177.1927 115 E 4.5566 7.9686 119.5287 53.8195 29.8334 174.7729 116 P 4.1898 0.0000 0.0000 65.4740 31.5449 178.5500 117 G 3.6250 7.9854 104.4011 46.7198 0.0000 173.1288 118 W 4.3894 7.9497 130.5092 56.6636 29.9158 175.5904 119 Q 4.2135 7.5673 126.0015 53.0486 29.0276 174.2227 120 P 4.1803 0.0000 0.0000 61.9708 32.0421 177.0904 121 K 4.1829 8.8254 122.3741 55.2440 32.9805 175.9966 122 P 4.3290 0.0000 0.0000 62.7561 33.0351 177.6373 123 L 3.6154 7.3901 123.2942 57.9403 42.0026 178.9931 124 D 4.2832 7.7274 118.7136 56.5482 39.2737 178.1861 125 D 4.2472 7.8740 119.8199 56.9922 40.8816 178.8241 126 V 3.3578 7.5570 118.4469 65.9924 31.5274 178.1262 127 R 3.8402 8.3580 117.9498 59.3769 29.8852 178.9404 128 A 3.9359 7.9515 120.4004 54.9438 18.4357 179.5072 129 N 4.1169 7.8913 115.1807 56.3892 38.5403 177.6015 130 I 3.6932 7.7889 121.7211 64.3071 37.1890 178.7508 131 G 3.5626 8.1447 106.5678 47.7094 0.0000 175.2176 132 E 3.9351 8.2256 121.8394 59.1118 29.5202 179.0562 133 L 4.0408 7.8398 118.5873 57.8687 41.7078 179.4477 134 S 4.1451 8.1443 115.1294 61.9587 62.8105 176.9880 135 T 4.5416 7.7801 119.5280 66.3069 68.2291 176.9422 136 K 4.2187 8.0101 119.9795 59.2723 31.9186 179.5352 137 I 3.7554 8.0427 120.4392 64.4005 37.0469 178.4905 138 L 4.0047 7.9819 119.6688 57.7914 41.5164 179.0797 139 E 3.9646 8.0431 118.4432 59.8307 29.4706 179.4736 140 Q 4.0380 8.5766 119.5841 59.1180 29.0375 178.3129 141 I 3.7755 8.1853 120.8965 64.3144 37.0930 177.9099 142 A 3.9588 8.1191 121.5439 55.3645 18.3321 179.1483 143 E 3.9090 8.2663 116.4281 60.0149 29.4544 179.9004 144 E 4.0640 8.1577 116.7691 59.3553 29.5644 179.1465 145 L 4.1173 7.9662 118.5046 57.5436 41.7570 179.2198 146 K 4.2098 8.3400 118.0060 56.0681 32.3908 178.0399 147 T 4.2471 7.9436 104.7439 61.1286 68.2810 174.9969 148 C 4.1815 9.4586 108.8805 55.4539 40.5824 173.7891 149 K 4.3079 8.5039 121.3640 55.2477 32.2350 176.0713 150 P 4.1204 0.0000 0.0000 63.9388 32.0933 177.0128 151 A 4.1811 8.4020 123.1734 55.0293 19.1450 179.5227 152 E 4.1905 7.8804 115.8891 56.0968 27.1764 175.8335 *154 G 3.8203 7.6301 108.5432 45.1868 0.0000 171.0861 155 D 4.9194 8.2911 123.5406 51.8924 42.6127 177.5350 156 K 2.6493 8.1061 118.9862 59.0663 31.9480 178.2923 157 A 3.9110 7.8243 120.6226 55.4185 18.2501 179.2506 158 H 3.9978 8.9272 114.9762 58.8782 28.7725 177.4840 159 F 3.8723 8.3067 122.5038 61.6762 38.8889 177.3942 160 I 3.7374 7.8310 118.1452 64.3388 36.9772 177.6643 161 N 4.3932 8.1583 117.2150 56.7166 38.7906 176.9055 162 T 4.2384 7.7849 116.5016 65.3668 69.1084 175.3109 163 I 4.1456 7.5163 124.8351 59.9557 36.0828 175.1064 164 R 4.4762 9.0803 125.6621 54.8042 32.1590 174.4849 165 Q 4.5844 8.2977 123.0638 54.2899 32.9538 173.7237 166 H 4.0639 8.6031 121.2209 57.9194 30.1179 174.7978 167 N 4.0835 8.5573 121.0295 53.2638 35.5768 172.9418 168 L 4.7464 7.3482 119.1851 53.2192 44.2113 176.6939 169 T 4.4997 8.8146 116.9594 60.1310 72.3076 175.8829 170 S 4.1181 8.3932 115.9988 61.6577 62.7225 176.7176 171 A 4.1198 7.9792 123.0124 55.2105 18.0119 179.2214 172 D 4.3221 7.9621 117.0208 57.5982 40.8554 179.2780 173 V 3.7123 7.8912 118.6996 66.0165 31.4782 177.7785 174 E 4.0696 9.0110 118.5832 59.6057 29.4218 179.3220 175 A 4.0759 8.3495 120.7308 55.0379 18.3057 179.8210 176 I 3.7867 7.7719 118.4426 64.4685 37.3277 178.3423 177 F 3.4052 8.5972 121.8901 61.1931 38.9885 177.3427 178 S 3.9753 8.2728 113.0883 61.5609 63.1280 176.1902 179 T 4.1651 7.9344 113.2554 64.3078 68.7420 176.4316 180 F 4.1380 8.4401 123.8183 61.2330 39.2604 176.4796 181 N 4.3040 7.6172 112.7909 54.5291 38.3318 175.4987 182 Q 4.3858 7.2656 118.3399 55.2537 29.7264 175.8608 183 V 3.7725 7.1837 119.2034 62.8634 32.2521 175.5116 184 K 4.6874 8.9372 125.9800 54.2153 36.4328 175.9435 185 L 4.5327 8.6950 123.1825 54.2348 42.5852 177.4596 186 K 3.9577 8.4862 120.9108 57.5423 34.4111 174.6521 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 32 Q 8.34 4.29 0.00 2.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 33 C 8.67 4.91 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.88 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 0.00 0.00 0.00 35 Q 8.59 4.37 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 36 T 7.96 3.91 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 1.43 0.00 0.00 37 A 7.87 3.56 0.79 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 38 P 0.00 4.11 0.00 2.30 2.08 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 39 L 7.54 4.05 0.00 1.99 1.73 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.52 3.67 1.83 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 1.59 0.59 0.84 0.00 0.00 41 N 8.21 4.37 0.00 2.69 2.88 0.00 0.00 7.23 7.28 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 42 E 8.20 3.93 0.00 2.24 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 2.34 2.62 0.00 43 R 8.05 4.11 0.00 1.96 2.12 0.00 3.13 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 44 L 7.62 4.17 0.00 1.81 1.73 0.91 0.89 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 45 S 7.64 4.39 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.55 4.34 0.00 3.23 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 *48 K 7.65 3.87 0.00 1.37 1.56 0.00 0.85 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 49 D 8.46 4.81 0.00 3.21 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 50 V 7.87 3.65 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.03 0.00 0.00 51 A 8.35 4.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.90 3.86 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 0.00 0.00 0.00 53 Y 8.34 4.09 0.00 3.22 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 54 K 8.67 4.04 0.00 2.10 2.13 0.00 1.89 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.82 7.81 55 A 8.54 4.06 1.62 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 56 E 8.15 3.83 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 57 N 7.53 4.66 0.00 2.62 2.76 0.00 0.00 7.18 8.44 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 58 H 7.42 4.03 0.00 3.31 3.38 0.00 5.84 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 59 L 8.32 4.63 0.00 1.68 1.66 1.11 1.09 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 60 P 0.00 4.60 0.00 2.27 2.05 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 61 I 8.38 3.74 1.41 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 1.29 0.40 0.10 0.00 0.00 62 E 8.00 4.16 0.00 2.02 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 2.31 2.53 0.00 63 D 8.35 4.72 0.00 2.71 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 64 R 8.43 3.97 0.00 1.91 1.98 0.00 3.20 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 65 I 7.77 3.74 1.88 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 0.79 0.92 0.00 0.00 66 Q 8.62 3.95 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 67 E 8.35 4.00 0.00 2.22 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 0.00 2.34 2.52 0.00 68 E 8.48 4.00 0.00 1.98 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 0.00 2.61 2.50 0.00 69 K 8.13 3.93 0.00 2.08 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 70 V 7.87 3.55 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 0.97 0.00 0.00 71 I 7.83 3.73 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 1.54 0.72 0.92 0.00 0.00 72 N 8.32 4.47 0.00 2.70 2.89 0.00 0.00 7.12 7.12 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 73 S 8.14 4.32 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.85 4.03 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 *76 A 7.90 4.33 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 77 Q 8.57 3.92 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 78 A 8.65 4.05 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 79 E 7.96 3.86 0.00 2.20 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 0.00 2.36 2.40 0.00 80 S 7.70 4.14 0.00 4.05 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.73 4.29 0.00 1.65 1.72 0.98 1.00 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 82 G 8.20 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 0.00 0.00 0.00 83 L 7.65 4.85 0.00 1.76 1.57 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.54 4.41 0.00 2.94 2.77 0.00 0.00 6.91 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.77 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.76 4.28 0.00 2.01 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 2.36 2.28 0.00 87 S 7.83 4.21 0.00 4.24 3.94 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 88 I 7.31 3.97 1.87 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 1.63 0.92 0.00 0.00 89 K 7.27 3.82 0.00 1.81 1.87 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 90 P 0.00 4.46 0.00 2.20 2.09 0.00 3.72 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 2.10 2.14 0.00 91 L 7.51 4.75 0.00 1.73 1.77 1.13 1.48 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 *93 V 7.94 3.97 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 0.98 0.00 0.00 0.99 0.00 0.00 94 A 8.47 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.34 3.96 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 96 I 7.79 3.71 1.90 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 1.65 0.74 0.93 0.00 0.00 97 N 8.67 4.35 0.00 2.79 2.91 0.00 0.00 6.95 7.16 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 98 A 8.12 3.98 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 99 A 8.26 3.96 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 0.00 100 K 8.39 3.67 0.00 1.92 1.67 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.59 7.81 101 A 8.32 4.14 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 0.00 102 I 7.68 3.76 2.07 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 1.48 1.39 1.03 0.00 0.00 103 Q 7.99 4.05 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 104 Y 8.43 4.36 0.00 3.07 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 0.00 105 R 7.96 3.88 0.00 1.70 1.67 0.00 3.20 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 106 Y 7.52 3.28 0.00 2.57 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.66 4.01 0.00 2.03 2.11 0.00 3.60 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 108 A 8.01 4.15 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 0.00 109 D 8.02 4.30 0.00 2.51 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 0.00 110 W 8.06 4.64 0.00 3.48 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 0.00 111 L 7.74 4.27 0.00 1.78 1.80 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.10 4.74 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.31 4.63 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 114 P 0.00 4.34 0.00 2.15 2.06 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 115 E 7.97 4.56 0.00 1.91 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 2.41 2.55 0.00 116 P 0.00 4.19 0.00 2.04 2.12 0.00 3.70 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 2.04 2.09 0.00 117 G 7.99 3.63 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 0.00 0.00 0.00 118 W 7.95 4.39 0.00 3.29 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 0.00 119 Q 7.57 4.21 0.00 1.79 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.71 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 120 P 0.00 4.18 0.00 2.14 2.33 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 121 K 8.83 4.18 0.00 1.72 1.72 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.39 7.81 122 P 0.00 4.33 0.00 2.10 1.96 0.00 3.57 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 2.10 2.16 0.00 123 L 7.39 3.62 0.00 0.27 1.06 0.82 1.06 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 0.00 124 D 7.73 4.28 0.00 2.83 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 0.00 125 D 7.87 4.25 0.00 2.89 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 0.00 126 V 7.56 3.36 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 1.07 0.00 0.00 0.99 0.00 0.00 127 R 8.36 3.84 0.00 1.96 1.90 0.00 3.09 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 128 A 7.95 3.94 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 0.00 129 N 7.89 4.12 0.00 2.21 2.12 0.00 0.00 6.96 7.31 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 0.00 130 I 7.79 3.69 1.90 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 1.45 0.60 0.90 0.00 0.00 131 G 8.14 3.56 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 0.00 0.00 0.00 132 E 8.23 3.94 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.41 2.53 0.00 141 I 8.19 3.78 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.74 0.85 0.00 0.00 142 A 8.12 3.96 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 0.00 143 E 8.27 3.91 0.00 2.06 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 0.00 2.35 2.59 0.00 144 E 8.16 4.06 0.00 2.18 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 2.42 2.41 0.00 145 L 7.97 4.12 0.00 1.87 1.69 0.78 0.74 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 0.00 146 K 8.34 4.21 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.59 7.81 147 T 7.94 4.25 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 0.00 148 C 9.46 4.18 0.00 3.24 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 0.00 149 K 8.50 4.31 0.00 1.85 1.78 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.46 7.81 150 P 0.00 4.12 0.00 2.01 2.09 0.00 3.66 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 2.00 2.09 0.00 151 A 8.40 4.18 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 0.00 152 E 7.88 4.19 0.00 1.96 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 2.31 2.32 0.00 *154 G 7.63 3.82 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 0.00 0.00 0.00 155 D 8.29 4.92 0.00 3.00 2.89 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 0.00 156 K 8.11 2.65 0.00 1.17 1.54 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.20 0.75 7.81 157 A 7.82 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 H 8.93 4.00 0.00 3.48 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.31 3.87 0.00 3.10 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 0.00 160 I 7.83 3.74 1.99 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 1.55 0.86 0.87 0.00 0.00 161 N 8.16 4.39 0.00 2.61 2.89 0.00 0.00 7.31 8.44 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 0.00 162 T 7.78 4.24 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 1.13 0.00 0.00 163 I 7.52 4.15 1.75 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.10 0.82 0.00 0.00 164 R 9.08 4.48 0.00 1.64 1.71 0.00 3.22 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 165 Q 8.30 4.58 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 166 H 8.60 4.06 0.00 3.03 3.22 0.00 6.00 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 N 8.56 4.08 0.00 2.45 2.54 0.00 0.00 6.50 6.74 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 0.00 168 L 7.35 4.75 0.00 1.67 1.52 0.89 0.89 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 0.00 169 T 8.81 4.50 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 1.17 0.00 0.00 170 S 8.39 4.12 0.00 3.88 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 0.00 171 A 7.98 4.12 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 0.00 172 D 7.96 4.32 0.00 2.89 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 0.00 173 V 7.89 3.71 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 1.25 0.00 0.00 0.99 0.00 0.00 174 E 9.01 4.07 0.00 2.22 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 0.00 2.37 2.50 0.00 175 A 8.35 4.08 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 0.00 176 I 7.77 3.79 2.34 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 1.24 0.00 0.00 177 F 8.60 3.41 0.00 2.84 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.27 3.98 0.00 4.02 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 T 7.93 4.17 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 1.27 0.00 0.00 180 F 8.44 4.14 0.00 3.24 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 0.00 181 N 7.62 4.30 0.00 2.39 2.60 0.00 0.00 6.97 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Q 7.27 4.39 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 183 V 7.18 3.77 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.86 0.00 0.00 184 K 8.94 4.69 0.00 1.59 1.56 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.48 7.81 185 L 8.69 4.53 0.00 1.50 1.65 0.91 0.89 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 0.00 186 K 8.49 3.96 0.00 1.73 1.72 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.