NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 79 M 4.4714 8.3049 118.1944 55.4417 33.3246 175.0710 80 R 4.4850 7.8154 114.9367 53.4402 30.8702 174.8053 81 I 3.7603 7.8464 121.9358 64.2154 39.6123 176.1136 82 Q 3.9431 8.1288 119.9197 59.4731 28.5543 178.2161 83 E 4.0375 8.0981 117.9114 58.9276 29.6895 178.6527 84 A 4.1374 7.5505 119.8508 55.0371 18.4472 179.6910 85 I 3.6447 7.9788 118.2412 64.5776 37.0204 178.5539 86 A 4.0577 7.8805 120.0124 54.4990 18.2247 178.6085 87 Q 4.5829 7.4551 114.0411 54.9074 29.9681 175.2083 88 D 4.3696 7.7085 121.1130 54.2696 40.8586 176.3701 89 K 4.2796 8.5718 125.9072 57.3762 32.3538 177.7272 90 T 4.2744 8.2793 108.9703 61.6486 69.1681 174.4193 91 I 4.2242 7.1484 123.6927 60.0380 38.0360 175.8918 92 S 4.6264 8.3242 120.6000 57.1012 64.8600 174.1198 93 V 3.9715 8.0640 111.7551 62.1967 31.7431 176.8694 94 I 3.7184 7.3670 121.9785 61.0861 37.2728 175.2921 95 I 4.2206 8.1188 126.3615 59.6453 38.5935 174.5455 96 D 4.6673 8.4589 125.5079 51.9265 41.6949 174.9230 97 P 3.9512 0.0000 0.0000 65.5665 31.1459 178.5712 98 S 4.1745 8.2783 112.9529 60.6296 62.9657 175.0504 99 Q 4.2193 8.0950 119.3183 56.5810 28.9987 175.4556 100 I 3.9245 7.4287 120.5050 62.4881 37.2394 175.1851 101 G 4.3455 9.1089 114.5415 46.0078 0.0000 173.9277 102 S 4.2150 7.6516 115.2732 58.2796 62.7167 174.5573 103 T 4.0730 8.7366 119.4140 64.9462 68.4243 176.4009 104 E 4.1119 8.2005 119.2858 58.5034 30.0979 178.1432 105 G 3.9178 7.9273 104.5252 44.5040 0.0000 175.2126 106 K 3.9068 7.7106 123.3952 59.0180 32.1233 176.8455 107 P 4.4180 0.0000 0.0000 64.8861 31.3091 178.3331 108 L 3.9255 7.8145 118.5282 58.0838 42.1511 178.5632 109 L 3.9544 8.0825 120.4006 58.0432 41.8667 178.7104 110 S 4.0400 8.2681 113.3511 61.7866 62.2381 175.9967 111 M 4.0316 7.8677 120.4984 58.4706 31.8613 178.3288 112 K 4.0001 8.1094 118.8468 59.6044 32.2039 179.1270 113 C 4.2342 8.2507 117.1351 62.5914 28.0299 175.6598 114 N 4.2145 7.8871 118.3935 56.6761 38.6154 176.9771 115 L 4.0282 8.1615 120.5899 57.9951 41.6453 178.9582 116 Y 4.3395 8.3639 119.6756 60.7946 38.7629 177.8947 117 I 3.4354 7.8141 120.7597 64.7348 37.1778 178.1461 118 H 4.1367 8.1020 116.8779 58.7506 28.5120 177.5301 119 E 4.0181 8.2463 121.2776 59.1711 29.4873 178.9768 120 I 3.7272 7.9495 120.3495 64.3793 37.0901 178.4014 121 L 4.2136 7.9835 119.8664 57.7832 41.3225 179.5446 122 S 4.1207 8.0945 113.2350 61.5662 62.1367 176.5286 123 R 4.0779 7.8168 119.6013 58.6762 30.0714 178.5262 124 W 3.6401 7.9782 128.3554 60.1702 30.4024 177.8154 125 K 3.0446 7.8208 118.1773 59.1955 31.5678 177.9272 126 A 4.3179 7.6732 118.5253 53.3950 18.6591 177.9629 127 S 4.9830 8.4341 113.1813 58.1951 63.9460 175.7473 128 L 4.0572 8.2499 123.3805 58.2564 41.3331 179.5809 129 E 3.9049 8.3559 115.5184 58.3315 29.5079 177.3089 130 A 4.6893 8.2631 119.5549 51.8007 20.7250 175.5367 131 Y 3.6048 7.4804 115.8716 57.7264 41.6434 176.5763 132 H 4.0534 7.2433 125.3245 56.4278 25.3101 173.5775 133 P 4.4063 0.0000 0.0000 65.6105 31.7513 178.8699 134 E 4.2508 8.2181 114.8893 57.6324 30.0640 177.5290 135 L 4.5666 8.0522 119.2637 55.6816 42.7465 177.2802 136 F 2.5920 7.6759 119.7494 60.5686 39.0158 176.3026 137 L 3.5734 7.8179 118.6148 58.6548 41.9355 179.2824 138 D 4.2804 7.8283 117.8152 57.4547 40.5688 178.8100 139 T 3.8318 7.3504 115.3414 66.2967 68.8942 176.2600 140 K 3.8257 7.6150 121.7823 59.6430 31.9358 178.9247 141 K 3.6561 7.9674 118.2745 59.2684 31.7081 179.0993 142 A 4.1109 7.9241 119.6486 54.1639 18.5602 178.7265 143 L 4.3615 7.8100 116.4681 55.8175 42.0348 178.7064 144 F 3.8897 8.1931 118.9900 60.0544 38.9098 175.6376 145 P 4.2782 0.0000 0.0000 65.8508 30.9633 178.0969 146 L 3.6559 7.8329 119.7532 57.6495 41.9539 178.5791 147 L 3.7833 7.8821 119.0081 57.8152 41.6209 179.3879 148 L 3.9001 7.9991 120.1060 58.1959 42.0310 179.0507 149 Q 3.9814 7.9903 118.0651 58.8727 28.6051 178.7674 150 L 4.0762 8.0359 121.7098 57.2595 41.4444 179.5630 151 R 3.9564 8.0704 117.6563 58.4967 30.0264 177.7211 152 R 4.3785 7.4932 114.9813 54.3923 31.3510 175.3095 153 N 4.0801 7.8474 117.1428 55.0107 37.7586 174.7908 154 Q 4.5733 8.4319 113.3635 55.4979 29.6344 176.3791 155 L 4.2484 7.5026 119.8218 54.1499 43.1956 176.6922 156 A 4.2518 8.3804 125.2767 50.9940 20.4307 176.6703 157 P 4.1537 0.0000 0.0000 66.3406 31.6753 178.9548 158 D 4.3191 8.0361 116.4501 56.8233 40.9358 178.4310 159 L 4.0903 7.8277 120.8568 57.7763 42.1433 178.4524 160 L 3.9909 8.1699 120.6133 57.9159 42.0067 178.8811 161 I 3.4952 7.5944 119.8714 64.4408 36.9985 178.6341 162 S 4.2798 7.7221 116.8048 60.9152 62.6210 176.5455 163 L 4.1075 7.9747 122.5576 58.1723 41.8811 178.8921 164 A 4.0698 8.4372 121.1901 55.2812 18.2431 179.8091 165 T 3.8933 7.9459 114.4327 66.7392 68.5608 176.9217 166 V 3.7097 7.8227 119.9608 66.1998 31.4025 177.9796 167 L 4.2139 7.9970 117.2093 57.9645 41.8142 178.4802 168 Y 4.2466 8.5735 119.6816 61.3923 38.7325 178.2013 169 H 3.8079 8.2297 116.7500 58.5815 28.5274 177.5998 170 L 4.0685 7.7534 121.4142 57.7529 42.0085 178.2897 171 Q 4.1193 7.7149 116.1670 56.1103 29.2633 175.7876 172 Q 4.3446 6.8911 119.4743 53.5096 30.0872 173.8807 173 P 4.2235 0.0000 0.0000 63.6553 31.7408 176.4017 174 K 3.9570 8.8004 121.3720 57.7273 29.4382 175.6618 175 E 4.7159 7.7462 116.4486 55.8559 30.6380 178.3627 176 I 3.7081 7.8709 121.3684 64.3307 38.0531 176.7050 177 N 4.4552 8.0780 116.8908 55.9908 38.4655 177.2436 178 L 4.0141 7.7609 120.0179 57.3830 41.6729 179.1030 179 A 4.0892 8.0399 121.0306 55.1255 18.2933 179.8813 180 V 3.6217 7.8805 116.8417 66.1778 31.5356 178.2458 181 Q 4.0413 8.2187 117.7944 59.2249 28.6158 179.0739 182 S 4.2080 8.2454 116.0979 61.7330 62.8452 176.0963 183 Y 4.1474 8.3660 122.4783 61.1093 38.4562 178.1529 184 M 4.0774 8.4635 119.6505 57.9926 31.9573 178.9542 185 K 3.8897 7.7684 118.5227 59.4834 32.1666 178.9575 186 L 4.0439 7.7970 121.7978 57.6256 41.6463 178.9667 187 S 3.8060 7.9062 112.8595 60.1529 62.2926 175.1960 188 I 4.4338 7.2555 114.2309 60.4480 38.9825 175.8806 189 G 3.8489 7.6786 106.4759 47.4487 0.0000 173.1931 190 N 6.1288 7.8496 116.1556 49.9109 41.6406 174.6105 191 V 3.8742 8.5135 122.3261 62.9449 32.2932 174.8230 192 A 4.8495 8.5274 128.3755 49.9811 21.4361 175.4597 193 W 4.6950 8.8463 122.1477 53.5504 32.1811 174.0245 194 P 4.5832 0.0000 0.0000 63.4191 31.0897 175.5591 195 I 4.3600 8.7802 121.3942 60.9865 38.6319 176.0667 196 G 3.9952 9.5364 112.6118 45.8507 0.0000 172.8111 197 V 4.5687 7.0621 110.7354 60.5084 37.5096 178.5690 198 T 3.1287 8.8375 121.7114 65.0303 66.4560 173.0671 *218 A 4.5321 9.1370 131.0392 52.3942 21.4188 178.1259 219 N 5.4460 8.1155 110.2651 51.8801 40.9532 174.4380 220 I 4.6638 8.1724 121.0282 59.4372 41.5317 174.3863 221 M 4.1439 8.6838 128.3913 55.2715 32.7237 175.6104 222 I 4.2859 8.1092 126.1454 59.1334 39.4409 175.0979 223 D 4.7634 8.1354 126.4833 51.7826 42.8325 176.4975 224 E 3.9840 8.5718 117.7869 59.5997 28.7678 179.5617 225 R 3.8993 8.1132 118.3081 59.8925 30.2379 178.8131 226 T 3.4500 7.7964 115.5853 66.4530 68.3936 176.6068 227 R 3.6078 8.2686 120.9642 59.2251 29.7935 178.4378 228 L 3.9604 7.6210 118.5179 57.6976 41.6785 179.6204 229 W 4.3572 7.6544 116.0842 59.2958 27.9530 178.4322 230 I 3.6936 6.8284 120.2039 64.6550 36.2961 178.0082 231 T 4.1604 7.8675 116.4342 66.9282 68.2572 176.9247 232 S 4.2695 7.9740 117.0632 61.6250 62.9516 176.5741 233 I 3.8094 8.5071 123.0479 64.4489 36.8094 178.2426 234 K 3.4246 7.8458 119.7098 59.3468 31.9309 179.1015 235 R 4.1365 8.0896 119.7978 58.4656 29.8585 179.0077 236 L 4.1450 7.8261 118.6526 57.6656 41.7109 179.2597 237 I 3.6640 7.6408 119.8842 64.6703 36.6828 178.6595 238 T 3.9053 7.8723 110.5945 64.5557 68.5734 176.4438 239 F 3.0078 8.0273 123.5053 60.7410 39.2603 176.9586 240 E 3.5087 8.1940 118.3959 59.0763 29.2161 178.7878 241 E 3.8329 8.0951 119.2974 59.0432 29.6612 178.6810 242 W 4.0195 7.8680 129.3859 60.0293 30.5720 176.9215 243 Y 3.2955 7.8049 118.2115 60.9391 38.3243 178.1509 244 T 3.9079 8.0513 116.8661 66.6897 68.3284 176.9054 245 S 4.0830 7.8773 115.9569 60.7471 62.7116 175.1159 246 N 4.5453 7.1768 117.8511 52.9622 38.3534 174.7732 247 H 4.1309 7.4862 123.5085 55.9783 29.9723 173.1158 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 79 M 8.30 4.47 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 80 R 7.82 4.48 0.00 1.87 1.84 0.00 3.29 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 81 I 7.85 3.76 1.87 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 1.52 1.57 0.91 0.00 0.00 82 Q 8.13 3.94 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 83 E 8.10 4.04 0.00 2.12 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 2.31 2.31 0.00 84 A 7.55 4.14 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 85 I 7.98 3.64 2.02 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 0.77 0.90 0.00 0.00 86 A 7.88 4.06 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 87 Q 7.46 4.58 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 88 D 7.71 4.37 0.00 2.90 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 89 K 8.57 4.28 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.59 7.81 90 T 8.28 4.27 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 91 I 7.15 4.22 1.87 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 1.35 0.60 0.91 0.00 0.00 92 S 8.32 4.63 0.00 3.97 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 93 V 8.06 3.97 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 0.87 0.00 0.00 0.95 0.00 0.00 94 I 7.37 3.72 1.84 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 1.23 0.42 0.89 0.00 0.00 95 I 8.12 4.22 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.94 0.00 0.00 96 D 8.46 4.67 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 3.95 0.00 1.80 0.76 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.53 0.00 98 S 8.28 4.17 0.00 3.97 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 99 Q 8.09 4.22 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 100 I 7.43 3.92 2.02 0.00 0.00 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 1.20 0.50 0.81 0.00 0.00 101 G 9.11 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.65 4.21 0.00 3.82 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 0.00 103 T 8.74 4.07 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 1.24 0.00 0.00 104 E 8.20 4.11 0.00 2.15 2.13 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 2.28 2.38 0.00 105 G 7.93 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 0.00 106 K 7.71 3.91 0.00 1.87 1.89 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 107 P 0.00 4.42 0.00 2.19 2.08 0.00 4.02 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 2.11 2.15 0.00 108 L 7.81 3.93 0.00 1.75 1.81 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.08 3.95 0.00 1.86 1.78 0.92 0.70 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 0.00 110 S 8.27 4.04 0.00 4.00 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 0.00 111 M 7.87 4.03 0.00 2.22 2.03 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 2.59 2.61 0.00 112 K 8.11 4.00 0.00 2.02 1.86 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.62 7.81 113 C 8.25 4.23 0.00 3.11 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 0.00 114 N 7.89 4.21 0.00 2.75 3.02 0.00 0.00 7.19 7.92 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 0.00 115 L 8.16 4.03 0.00 1.91 1.75 0.93 1.01 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 0.00 116 Y 8.36 4.34 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.81 3.44 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 0.75 0.00 0.00 118 H 8.10 4.14 0.00 3.43 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.25 4.02 0.00 2.23 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 2.37 2.59 0.00 120 I 7.95 3.73 1.85 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.15 1.04 0.00 0.00 121 L 7.98 4.21 0.00 1.91 1.82 0.76 0.61 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 0.00 122 S 8.09 4.12 0.00 4.04 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 0.00 123 R 7.82 4.08 0.00 2.03 1.91 0.00 2.64 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 124 W 7.98 3.64 0.00 2.23 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.82 3.04 0.00 1.36 1.89 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.11 7.81 126 A 7.67 4.32 1.44 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 0.00 0.00 0.00 127 S 8.43 4.98 0.00 4.50 4.50 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 0.00 128 L 8.25 4.06 0.00 1.65 1.70 0.65 0.50 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 0.00 129 E 8.36 3.90 0.00 2.04 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 2.34 2.34 0.00 130 A 8.26 4.69 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 7.48 3.60 0.00 1.43 2.39 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 0.00 132 H 7.24 4.05 0.00 2.91 3.58 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.41 0.00 2.22 2.49 0.00 3.64 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 134 E 8.22 4.25 0.00 2.11 2.13 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 2.30 2.29 0.00 135 L 8.05 4.57 0.00 2.20 1.93 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.68 2.59 0.00 2.22 2.61 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 0.00 0.00 0.00 137 L 7.82 3.57 0.00 1.77 1.61 0.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 138 D 7.83 4.28 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 139 T 7.35 3.83 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 1.37 0.00 0.00 140 K 7.62 3.83 0.00 0.93 1.57 0.00 1.12 0.00 0.00 1.49 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.36 7.81 141 K 7.97 3.66 0.00 1.70 1.60 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.08 1.45 7.81 142 A 7.92 4.11 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 0.00 143 L 7.81 4.36 0.00 2.11 1.66 1.03 0.88 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 0.00 144 F 8.19 3.89 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.28 0.00 2.33 2.37 0.00 3.83 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 2.17 2.11 0.00 146 L 7.83 3.66 0.00 1.30 1.65 -0.35 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.88 3.78 0.00 1.66 1.51 0.50 0.21 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 0.00 148 L 8.00 3.90 0.00 1.91 1.78 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.99 3.98 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 150 L 8.04 4.08 0.00 1.72 1.83 0.72 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 151 R 8.07 3.96 0.00 2.02 2.08 0.00 3.20 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 152 R 7.49 4.38 0.00 1.82 1.91 0.00 3.36 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 153 N 7.85 4.08 0.00 3.09 2.77 0.00 0.00 7.10 7.19 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 0.00 154 Q 8.43 4.57 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 155 L 7.50 4.25 0.00 1.52 1.53 0.85 0.88 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 0.00 156 A 8.38 4.25 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 0.00 157 P 0.00 4.15 0.00 2.17 2.16 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 158 D 8.04 4.32 0.00 2.71 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 0.00 159 L 7.83 4.09 0.00 1.83 1.89 1.01 0.85 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 0.00 160 L 8.17 3.99 0.00 1.77 1.77 0.87 0.82 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 0.00 161 I 7.59 3.50 1.59 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.45 -0.34 0.00 0.00 162 S 7.72 4.28 0.00 3.92 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 0.00 163 L 7.97 4.11 0.00 1.98 1.82 1.06 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.44 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 T 7.95 3.89 4.46 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 1.42 0.00 0.00 166 V 7.82 3.71 2.40 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 1.20 0.00 0.00 1.21 0.00 0.00 167 L 8.00 4.21 0.00 1.97 2.07 1.04 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 0.00 168 Y 8.57 4.25 0.00 3.03 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 0.00 169 H 8.23 3.81 0.00 3.34 3.47 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.75 4.07 0.00 1.96 2.06 0.93 0.89 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 0.00 171 Q 7.71 4.12 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 1.55 2.12 0.00 172 Q 6.89 4.34 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 173 P 0.00 4.22 0.00 2.01 1.97 0.00 3.76 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 2.00 2.07 0.00 174 K 8.80 3.96 0.00 1.90 1.91 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.42 7.81 175 E 7.75 4.72 0.00 2.11 1.88 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 2.28 2.42 0.00 176 I 7.87 3.71 1.85 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 1.62 1.22 0.90 0.00 0.00 177 N 8.08 4.46 0.00 2.77 2.85 0.00 0.00 7.18 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 0.00 178 L 7.76 4.01 0.00 1.77 1.30 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 179 A 8.04 4.09 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 0.00 180 V 7.88 3.62 2.24 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 1.17 0.00 0.00 0.97 0.00 0.00 181 Q 8.22 4.04 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.78 0.00 182 S 8.25 4.21 0.00 4.16 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 8.37 4.15 0.00 3.18 3.22 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 0.00 184 M 8.46 4.08 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.05 0.00 185 K 7.77 3.89 0.00 1.97 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.69 7.81 186 L 7.80 4.04 0.00 1.73 1.70 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.91 3.81 0.00 3.28 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 0.00 188 I 7.26 4.43 1.83 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 1.70 0.81 0.86 0.00 0.00 189 G 7.68 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 0.00 190 N 7.85 6.13 0.00 2.79 2.71 0.00 0.00 6.65 7.30 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 0.00 191 V 8.51 3.87 2.16 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 0.41 0.00 0.00 0.94 0.00 0.00 192 A 8.53 4.85 1.24 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 0.00 193 W 8.85 4.69 0.00 3.28 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 P 0.00 4.58 0.00 2.20 2.04 0.00 4.19 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 195 I 8.78 4.36 1.93 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 0.90 0.96 0.00 0.00 196 G 9.54 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 0.00 197 V 7.06 4.57 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 0.90 0.00 0.00 0.93 0.00 0.00 198 T 8.84 3.13 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 1.18 0.00 0.00 *218 A 9.14 4.53 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 0.00 219 N 8.12 5.45 0.00 2.62 2.74 0.00 0.00 6.57 7.45 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 0.00 220 I 8.17 4.66 1.86 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 1.11 0.70 0.93 0.00 0.00 221 M 8.68 4.14 0.00 2.00 1.95 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 2.57 2.62 0.00 222 I 8.11 4.29 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.73 0.00 0.00 223 D 8.14 4.76 0.00 2.85 2.81 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 0.00 224 E 8.57 3.98 0.00 2.07 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 0.00 2.39 2.42 0.00 225 R 8.11 3.90 0.00 2.18 2.00 0.00 3.19 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 226 T 7.80 3.45 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 0.75 0.00 0.00 227 R 8.27 3.61 0.00 1.78 2.02 0.00 3.07 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 228 L 7.62 3.96 0.00 2.00 1.77 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 229 W 7.65 4.36 0.00 3.43 3.32 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 0.00 230 I 6.83 3.69 1.67 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 0.66 0.00 0.00 231 T 7.87 4.16 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 1.26 0.00 0.00 232 S 7.97 4.27 0.00 4.13 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 0.00 233 I 8.51 3.81 2.41 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 2.17 1.88 1.09 0.00 0.00 234 K 7.85 3.42 0.00 1.63 1.90 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.07 7.81 235 R 8.09 4.14 0.00 2.26 2.23 0.00 3.33 0.00 0.00 3.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 236 L 7.83 4.15 0.00 1.87 1.74 0.91 1.02 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 0.00 237 I 7.64 3.66 1.88 0.00 0.00 0.48 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 0.83 0.84 0.00 0.00 238 T 7.87 3.91 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 1.21 0.00 0.00 239 F 8.03 3.01 0.00 2.11 2.91 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 0.00 240 E 8.19 3.51 0.00 2.17 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 2.32 2.48 0.00 241 E 8.10 3.83 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 242 W 7.87 4.02 0.00 3.38 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 0.00 243 Y 7.80 3.30 0.00 2.03 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 T 8.05 3.91 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 1.14 0.00 0.00 245 S 7.88 4.08 0.00 3.93 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 0.00 246 N 7.18 4.55 0.00 1.48 2.11 0.00 0.00 6.77 7.69 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 0.00 247 H 7.49 4.13 0.00 2.65 2.84 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.