NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7105 8.2014 109.7349 45.3513 0.0000 173.0109 *27 G 4.2480 8.2717 114.2905 44.2096 0.0000 171.3187 28 T 3.8245 8.1216 109.3606 61.2537 69.0835 174.6126 29 K 4.1034 8.3810 125.9909 55.8122 31.4965 176.0272 30 T 3.9892 8.2586 123.7957 62.9010 69.2423 175.5508 31 A 3.9696 8.9377 128.7722 55.4681 18.1366 179.2624 32 A 3.9759 7.8793 117.4425 55.1010 18.5119 178.9321 33 E 4.0440 7.8823 117.0122 58.9261 29.8769 178.1044 34 A 4.2072 7.8926 118.2231 52.3767 19.4018 177.4579 35 A 3.9387 7.2699 120.3197 51.8193 18.9344 177.4087 36 A 4.2888 8.2631 124.4138 50.9269 19.3909 175.3070 37 P 4.7348 0.0000 0.0000 63.0564 32.2163 176.0143 38 A 4.7009 8.3094 122.1869 50.9861 23.2751 174.3001 39 V 4.7781 8.1467 116.9895 61.3872 34.0657 175.0624 40 H 4.5114 9.1971 128.5693 55.3776 30.4234 174.4173 41 P 4.3810 0.0000 0.0000 64.7118 31.8780 177.4398 42 V 4.0176 8.0080 118.3776 64.9493 32.0465 176.8759 43 S 4.2704 8.1664 111.9919 58.4492 63.5377 175.2292 44 G 3.9201 8.2365 107.8751 45.5575 0.0000 173.6505 45 L 4.3197 7.7141 120.0036 54.0446 43.1651 176.6386 46 Q 4.5234 8.6755 120.3009 56.5153 30.1363 175.2882 47 I 4.9353 8.9150 124.1977 59.7935 39.5533 175.2015 48 V 4.7347 8.7331 120.0713 58.4856 35.8713 173.2973 49 P 4.8777 0.0000 0.0000 62.9294 32.2673 175.6069 50 V 4.9240 9.1022 123.7153 61.2980 34.4256 174.1859 51 T 5.2640 9.0529 117.5982 59.9419 72.1278 173.1167 52 V 4.9539 9.0399 123.2292 61.6378 34.7147 174.2749 53 T 5.0924 9.1144 124.5023 62.1446 72.0720 173.5455 54 G 4.4394 8.6220 114.1052 46.0354 0.0000 173.5549 55 T 3.9383 8.6654 115.7517 66.5745 68.6470 175.8819 56 S 4.2067 7.9664 114.7301 59.3237 63.8111 172.6805 57 G 3.6495 7.0447 106.8368 43.8693 0.0000 171.3071 58 R 4.9349 8.3009 120.4618 54.8291 32.0477 176.1378 59 H 4.8679 9.2224 123.6739 53.8431 31.8852 173.1544 60 V 4.6973 7.8628 121.7691 60.9838 34.1048 174.4930 61 F 4.9086 9.2747 126.0956 55.5604 42.6447 174.4344 62 R 4.5446 9.2588 124.3521 56.3662 30.8354 175.8168 63 S 5.2061 9.0973 121.2219 56.2792 66.1469 173.9596 64 E 4.3795 8.7398 124.5243 56.4256 30.0942 176.5258 65 L 4.4314 8.6648 126.7450 53.7431 43.1192 175.5265 66 A 4.3811 8.6245 130.4339 50.7687 19.8585 176.7906 67 R 4.2101 9.0580 120.9259 57.9657 32.7743 177.8059 68 T 4.1564 7.8360 107.3381 61.3258 70.8449 175.2355 69 S 4.0916 8.6318 117.9186 61.9546 62.9109 176.9958 70 A 4.0171 7.9238 122.8393 55.0440 18.2172 179.3013 71 E 3.9139 8.2327 117.2185 59.8215 29.3172 179.6891 72 Q 4.2856 8.1927 116.8234 58.7770 28.8522 178.1972 73 A 4.1395 8.0850 121.4546 54.8281 18.4236 179.2754 74 K 4.0776 8.1190 117.8043 58.5451 32.8461 178.8628 75 G 3.8747 8.3241 108.6301 46.9584 0.0000 173.4420 76 L 4.3847 8.3272 122.6950 53.3019 42.7864 177.1854 *78 F 4.9249 8.4958 121.3026 56.9137 40.8804 175.4874 79 R 4.1527 7.7617 120.9100 56.3466 30.1439 176.5520 80 T 4.5024 8.4895 111.8453 61.4539 69.8086 174.0446 81 E 4.7577 7.6512 118.7872 55.3025 32.4617 174.2095 82 L 4.4551 8.0853 121.0047 53.9105 45.3667 175.4062 83 G 3.9146 9.2106 115.3230 45.2039 0.0000 174.3736 84 D 4.6089 8.6706 120.0620 56.2246 41.1660 177.2092 85 E 4.6077 8.2047 118.2612 55.9089 29.8931 174.5968 86 E 5.4105 7.8673 117.7346 53.9513 33.5359 177.2182 87 G 3.7733 8.6418 112.9085 47.1267 0.0000 175.2800 *89 I 4.4872 8.3520 126.0813 60.5243 39.4106 172.7776 90 F 5.1926 9.3464 127.9962 55.7367 41.5045 174.2856 91 L 4.7289 8.2531 124.1278 53.0314 42.8296 176.4856 92 R 4.3402 8.6455 124.4535 55.5358 31.0521 176.4113 93 N 4.7510 8.5562 122.5116 51.4624 40.9286 172.1203 94 P 4.5590 0.0000 0.0000 61.3993 32.3951 174.4446 95 P 4.7339 0.0000 0.0000 62.6050 32.2256 173.9124 96 D 4.5383 8.3872 120.6848 53.9128 45.0128 174.6967 *98 A 4.4186 8.3551 117.0351 51.4395 21.2575 176.8715 99 T 5.1688 8.4167 117.0342 61.8965 71.8917 173.4556 100 F 4.8633 9.3683 124.3407 54.9794 42.6166 174.7617 101 W 5.1379 8.6607 120.1630 55.9397 30.5761 175.6154 *103 R 3.3300 8.5403 116.2254 56.7809 29.8922 174.9675 104 N 3.8713 8.2991 119.7177 53.9733 36.5271 173.5084 105 T 4.0996 6.4653 114.6615 61.9430 69.6873 175.6752 106 V 3.9000 8.1372 125.7962 63.2044 32.5657 175.4292 107 I 4.7168 7.2473 112.1770 57.9341 39.6862 174.0494 108 P 4.6943 0.0000 0.0000 62.6189 32.1833 175.3794 109 L 5.0557 8.2326 119.7985 53.2809 46.6655 174.7328 110 D 5.0644 8.9028 121.9643 53.1178 42.9441 175.5872 111 I 3.8710 8.5454 125.0966 59.7429 39.0432 175.0356 112 I 4.4005 8.1534 130.2426 59.5606 38.1671 175.1021 113 F 4.6026 8.9333 127.3107 56.4941 40.5728 175.1877 114 V 4.8073 8.9238 123.9204 61.1199 34.1964 176.1064 115 G 4.4559 9.1691 117.6646 44.1088 0.0000 174.1506 116 L 4.1038 8.4681 118.4326 57.1945 41.6137 177.9824 117 D 4.6579 8.1030 116.2534 52.7480 39.6682 176.6452 118 R 4.0721 8.2726 117.1026 57.4747 28.3427 175.8414 119 R 4.8243 7.8437 116.9601 54.9817 31.3101 176.4393 120 V 4.5173 8.7419 122.1217 62.5958 33.1134 174.3276 *122 N 4.8842 8.4760 119.6542 52.8058 39.0227 173.1285 123 I 5.0151 8.2399 119.4992 59.7004 40.5322 175.4359 124 A 4.5132 9.2393 129.9078 50.7747 18.7717 175.7811 125 A 4.4806 8.4265 122.3850 52.5354 19.9310 176.6510 126 N 4.0441 9.1285 116.1058 53.6762 36.0997 174.9657 127 A 4.0245 7.9575 120.0854 52.5579 19.4924 177.4114 128 V 4.4069 8.1334 121.0849 60.2824 32.8472 173.6194 129 P 4.3800 0.0000 0.0000 64.6824 31.5174 176.2741 130 Y 3.4285 7.8494 118.2362 58.0893 36.5756 169.1749 131 D 4.4908 8.0246 120.6671 54.2140 41.6002 175.6539 132 E 4.6323 8.7054 124.7490 56.5180 30.1551 176.5723 133 T 4.0325 8.1558 117.2140 63.1361 68.9981 172.1972 134 P 4.6184 0.0000 0.0000 63.0176 32.5481 176.2218 135 L 4.6927 9.2138 123.4818 52.7265 42.9311 173.6095 136 P 5.0735 0.0000 0.0000 60.8521 32.8966 175.8615 137 A 2.7754 8.1893 124.5738 51.4741 18.5245 178.0822 138 A 3.9288 8.6351 122.1914 54.0534 19.0208 177.5215 139 G 3.9620 7.2341 101.6037 44.6382 0.0000 170.8263 140 P 4.3345 0.0000 0.0000 63.4954 31.8517 175.2372 141 T 4.9832 8.8337 120.0008 62.0413 70.3783 174.8758 142 L 4.3125 9.1928 129.4944 57.5017 43.5384 176.1312 143 A 5.0899 7.7381 117.8112 50.6751 23.1257 175.1333 144 V 4.4944 8.6609 118.6015 60.8721 35.1018 173.9297 145 L 4.8754 8.6566 129.9344 53.2827 44.1503 174.4810 146 E 5.0441 8.6951 125.8112 54.7220 31.8658 175.0560 147 I 4.5022 8.0831 116.8675 58.4454 42.1176 174.1403 148 N 4.5673 8.7422 118.9377 53.1857 39.4860 175.3914 149 G 3.8374 8.5703 111.5457 47.3627 0.0000 174.0441 150 G 3.9639 9.8847 112.7215 45.8192 0.0000 175.2202 151 L 4.0179 8.0183 121.2767 57.6436 41.9969 178.5340 152 A 3.9566 8.6153 121.1557 55.2330 18.2516 179.5465 153 A 3.9709 7.9155 118.7686 55.0916 18.2945 179.4753 154 R 3.8435 7.6959 116.2531 59.5985 30.2333 178.2184 155 L 4.3280 7.9904 116.6153 54.9507 41.8508 177.8259 156 G 3.8928 7.5118 106.6773 45.7779 0.0000 173.4509 157 I 4.1341 7.6742 120.8237 60.8791 37.6821 175.8852 158 K 4.7285 9.0639 123.7881 53.4026 35.9326 174.0068 159 P 4.5770 0.0000 0.0000 64.8186 31.5955 176.5588 160 G 4.0947 9.0687 111.2197 45.4207 0.0000 173.9038 161 D 4.6381 8.1127 119.3994 54.3074 42.3601 175.5201 162 K 4.6875 8.8474 121.0099 55.3977 33.8981 175.7321 163 V 4.9799 8.7756 125.6232 61.3408 33.3357 174.7469 164 E 4.7206 9.4349 126.8244 54.2718 33.7603 176.1102 165 W 4.7927 7.7827 118.8409 56.9282 28.2000 174.5897 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 0 G 8.20 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 *27 G 8.27 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 0.00 0.00 0.00 0.00 28 T 8.12 3.82 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 1.20 0.00 0.00 29 K 8.38 4.10 0.00 1.73 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 30 T 8.26 3.99 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 31 A 8.94 3.97 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 32 A 7.88 3.98 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 33 E 7.88 4.04 0.00 1.99 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 2.32 2.33 0.00 34 A 7.89 4.21 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 35 A 7.27 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 36 A 8.26 4.29 1.27 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 0.00 0.00 37 P 0.00 4.73 0.00 1.96 2.13 0.00 3.71 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 38 A 8.31 4.70 1.20 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 0.00 0.00 0.00 39 V 8.15 4.78 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 0.94 0.00 0.00 40 H 9.20 4.51 0.00 3.23 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.64 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 4.38 0.00 2.19 2.12 0.00 3.27 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 42 V 8.01 4.02 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 0.90 0.00 0.00 1.00 0.00 0.00 43 S 8.17 4.27 0.00 3.98 3.96 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 44 G 8.24 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 45 L 7.71 4.32 0.00 1.58 1.65 0.80 0.72 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 46 Q 8.68 4.52 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 47 I 8.92 4.94 1.89 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 1.28 0.92 0.97 0.00 0.00 48 V 8.73 4.73 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 0.82 0.00 0.00 1.05 0.00 0.00 49 P 0.00 4.88 0.00 2.12 2.09 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 50 V 9.10 4.92 2.26 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 1.19 0.00 0.00 1.02 0.00 0.00 51 T 9.05 5.26 4.28 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 1.24 0.00 0.00 52 V 9.04 4.95 2.34 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 1.15 0.00 0.00 1.14 0.00 0.00 53 T 9.11 5.09 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 1.26 0.00 0.00 54 G 8.62 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 0.00 0.00 0.00 0.00 55 T 8.67 3.94 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 1.22 0.00 0.00 56 S 7.97 4.21 0.00 4.12 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 57 G 7.04 3.65 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 0.00 0.00 0.00 58 R 8.30 4.93 0.00 1.76 1.74 0.00 3.17 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 59 H 9.22 4.87 0.00 3.13 2.95 0.00 5.61 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 60 V 7.86 4.70 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 0.81 0.00 0.00 0.86 0.00 0.00 61 F 9.27 4.91 0.00 2.94 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 62 R 9.26 4.54 0.00 1.80 1.93 0.00 3.23 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 63 S 9.10 5.21 0.00 3.73 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 64 E 8.74 4.38 0.00 1.72 1.75 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 2.27 2.20 0.00 65 L 8.66 4.43 0.00 1.62 1.62 0.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.62 4.38 0.69 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 67 R 9.06 4.21 0.00 1.74 1.92 0.00 3.18 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 68 T 7.84 4.16 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 69 S 8.63 4.09 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 70 A 7.92 4.02 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 71 E 8.23 3.91 0.00 2.16 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 2.30 2.34 0.00 72 Q 8.19 4.29 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 73 A 8.09 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 74 K 8.12 4.08 0.00 1.84 2.02 0.00 2.02 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.49 1.54 7.81 75 G 8.32 3.87 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 0.00 0.00 0.00 76 L 8.33 4.38 0.00 1.72 1.57 0.99 0.98 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 *78 F 8.50 4.92 0.00 3.09 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 79 R 7.76 4.15 0.00 1.86 1.88 0.00 3.33 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 80 T 8.49 4.50 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 1.26 0.00 0.00 81 E 7.65 4.76 0.00 2.06 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 2.20 2.32 0.00 82 L 8.09 4.46 0.00 1.57 1.69 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 G 9.21 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 84 D 8.67 4.61 0.00 2.72 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 85 E 8.20 4.61 0.00 2.01 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 2.21 2.27 0.00 86 E 7.87 5.41 0.00 2.04 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 2.28 0.00 87 G 8.64 3.77 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 0.00 0.00 0.00 *89 I 8.35 4.49 1.73 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.33 0.76 0.00 0.00 90 F 9.35 5.19 0.00 2.90 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 91 L 8.25 4.73 0.00 1.51 1.59 0.89 -0.05 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 92 R 8.65 4.34 0.00 1.88 2.06 0.00 3.51 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 93 N 8.56 4.75 0.00 2.66 2.69 0.00 0.00 7.19 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 94 P 0.00 4.56 0.00 2.24 2.05 0.00 3.84 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 1.99 1.99 0.00 95 P 0.00 4.73 0.00 2.10 2.18 0.00 3.76 0.00 0.00 5.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 96 D 8.39 4.54 0.00 2.85 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 *98 A 8.36 4.42 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.42 5.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 100 F 9.37 4.86 0.00 3.00 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 0.00 101 W 8.66 5.14 0.00 3.44 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.54 3.33 0.00 0.67 0.66 0.00 2.90 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.24 0.00 104 N 8.30 3.87 0.00 2.33 2.01 0.00 0.00 7.01 7.54 0.00 0.00 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 T 6.47 4.10 3.96 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 1.11 0.00 0.00 106 V 8.14 3.90 2.29 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 0.93 0.00 0.00 0.92 0.00 0.00 107 I 7.25 4.72 1.86 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 1.36 0.79 0.91 0.00 0.00 108 P 0.00 4.69 0.00 2.08 2.09 0.00 3.31 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 109 L 8.23 5.06 0.00 1.49 1.43 0.90 1.07 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 0.00 110 D 8.90 5.06 0.00 2.46 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.55 3.87 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.65 -0.37 0.00 0.00 112 I 8.15 4.40 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 0.86 0.00 0.00 113 F 8.93 4.60 0.00 3.16 2.93 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 0.00 114 V 8.92 4.81 2.30 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 1.30 0.00 0.00 1.03 0.00 0.00 115 G 9.17 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 0.00 0.00 0.00 0.00 116 L 8.47 4.10 0.00 1.69 1.79 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.10 4.66 0.00 2.79 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 0.00 118 R 8.27 4.07 0.00 2.03 2.26 0.00 2.87 0.00 0.00 2.58 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 119 R 7.84 4.82 0.00 2.06 1.87 0.00 3.35 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 120 V 8.74 4.52 2.26 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 1.11 0.00 0.00 0.98 0.00 0.00 *122 N 8.48 4.88 0.00 2.83 2.95 0.00 0.00 5.68 7.76 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 0.00 123 I 8.24 5.02 1.89 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 1.28 0.70 0.88 0.00 0.00 124 A 9.24 4.51 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 0.00 125 A 8.43 4.48 1.22 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 0.00 0.00 126 N 9.13 4.04 0.00 2.84 2.89 0.00 0.00 6.93 7.35 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 0.00 127 A 7.96 4.02 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 0.00 128 V 8.13 4.41 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 1.04 0.00 0.00 1.01 0.00 0.00 129 P 0.00 4.38 0.00 2.22 2.14 0.00 3.85 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 2.07 2.23 0.00 130 Y 7.85 3.43 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 0.00 131 D 8.02 4.49 0.00 2.68 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 0.00 132 E 8.71 4.63 0.00 2.12 2.35 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 1.85 2.38 0.00 133 T 8.16 4.03 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 1.25 0.00 0.00 134 P 0.00 4.62 0.00 2.06 2.02 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 135 L 9.21 4.69 0.00 1.87 1.81 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 5.07 0.00 1.79 1.87 0.00 3.61 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 1.93 2.05 0.00 137 A 8.19 2.78 1.11 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 0.00 138 A 8.64 3.93 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 0.00 139 G 7.23 3.96 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 0.00 0.00 0.00 140 P 0.00 4.33 0.00 2.21 2.03 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 141 T 8.83 4.98 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 1.42 0.00 0.00 142 L 9.19 4.31 0.00 1.90 2.05 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.74 5.09 0.69 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 0.00 144 V 8.66 4.49 1.64 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 -0.37 0.00 0.00 0.72 0.00 0.00 145 L 8.66 4.88 0.00 1.62 1.31 0.79 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.70 5.04 0.00 2.01 1.77 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 1.99 2.03 0.00 147 I 8.08 4.50 1.58 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.08 -0.04 0.00 0.00 148 N 8.74 4.57 0.00 2.68 2.80 0.00 0.00 6.68 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 0.00 149 G 8.57 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 9.88 3.96 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 0.00 0.00 0.00 151 L 8.02 4.02 0.00 1.86 1.77 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.62 3.96 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 0.00 153 A 7.92 3.97 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 0.00 154 R 7.70 3.84 0.00 1.87 2.17 0.00 3.27 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 155 L 7.99 4.33 0.00 1.58 1.38 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.51 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 0.00 157 I 7.67 4.13 1.88 0.00 0.00 1.00 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 0.51 0.94 0.00 0.00 158 K 9.06 4.73 0.00 1.78 1.65 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.59 7.81 159 P 0.00 4.58 0.00 2.05 2.04 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 160 G 9.07 4.09 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 0.00 0.00 0.00 161 D 8.11 4.64 0.00 2.74 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 0.00 162 K 8.85 4.69 0.00 1.70 1.73 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.52 7.81 163 V 8.78 4.98 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 1.09 0.00 0.00 1.05 0.00 0.00 164 E 9.43 4.72 0.00 1.88 1.68 0.00 0.00 0.00 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 2.31 0.00 165 W 7.78 4.79 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.