NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 4.0842 8.0544 120.3176 61.5885 32.7816 173.6089 9 R 4.3595 8.2027 119.4961 53.8102 31.6654 173.4334 10 I 4.0618 8.4681 127.3839 61.6514 38.3160 175.5746 11 T 4.6707 8.3194 116.9619 61.5187 69.4359 174.9565 12 Q 4.1318 7.9888 120.4270 57.8121 29.5928 176.6859 13 G 4.1049 8.6207 107.5948 45.5681 0.0000 174.1889 14 T 3.7788 8.4889 117.9706 65.5024 68.6650 175.6566 15 F 5.1259 7.8052 118.7677 57.4242 39.8968 176.4665 16 S 4.5431 8.4160 115.7343 59.9477 62.8433 174.9373 17 F 4.2561 8.3338 118.1378 57.8760 39.2749 175.5487 18 L 4.6465 7.6855 120.8826 52.2317 43.1346 174.5792 19 P 4.3802 0.0000 0.0000 62.5736 31.7695 176.3813 20 D 4.4563 8.5569 120.5616 54.3831 41.0844 176.8176 21 L 4.2555 8.5192 124.8747 54.9669 42.3748 177.8389 22 T 4.2324 8.9404 114.1782 61.3226 70.9898 175.4552 23 D 4.3702 8.7709 121.9973 57.7843 40.7248 179.1205 24 E 3.9093 8.1018 119.1237 59.4774 29.9031 178.7938 25 Q 3.9464 7.6767 117.5557 58.8631 28.6410 178.7534 26 I 3.7693 8.0606 121.1723 64.1896 37.1524 178.1629 27 K 3.9060 8.2975 120.6592 59.7749 32.1201 178.9364 28 K 4.2795 7.8136 119.3752 59.0256 31.8746 179.4418 29 Q 4.0722 7.9494 118.1239 58.9088 28.5004 178.6833 30 I 3.9043 8.2476 121.2199 64.4289 37.1565 178.0722 31 D 4.4010 8.4099 119.9308 57.4700 40.7417 178.2563 32 Y 4.3034 7.8435 120.7663 60.5721 38.8631 178.0638 33 M 3.9678 8.3671 119.5677 58.4917 32.0584 178.9052 34 I 3.7685 8.1708 120.5219 64.3233 36.9470 178.6563 35 S 4.2174 8.3783 115.0482 60.5516 62.5476 175.5711 36 K 4.2889 7.4124 119.7337 54.6703 32.4028 176.3399 37 K 3.8419 7.7858 117.4487 57.3708 30.2327 175.1459 38 L 4.7585 7.6741 116.3806 53.9058 43.3227 177.5024 39 A 4.3645 8.8437 124.2090 51.7554 19.9996 176.4024 40 I 4.8009 8.6127 123.4159 59.4344 39.8258 175.1672 41 G 4.4609 9.1816 113.8153 44.3338 0.0000 171.5001 42 I 5.1332 8.3433 121.5893 59.3480 40.3921 174.5033 43 E 5.5860 9.2605 125.7056 54.9815 34.0084 174.2842 44 Y 6.3000 9.1575 118.8702 56.2816 42.0109 173.7136 45 T 4.9854 8.3258 109.1542 60.8692 72.0935 172.8546 46 N 5.2028 8.6585 117.6435 52.5997 37.6854 174.4592 47 D 4.5968 7.6405 119.0721 53.1396 41.6347 175.0368 48 I 4.0106 7.5975 124.4553 60.2387 38.1461 176.6922 49 H 4.6447 7.4872 120.2016 56.1820 30.6370 172.7802 50 P 4.3383 0.0000 0.0000 66.2066 31.1292 177.1864 51 R 4.0909 7.8650 115.1255 56.6913 30.0797 175.2640 *64 N 5.0346 8.0264 115.8659 53.3696 38.6035 173.4207 65 A 3.8390 8.2056 126.5699 53.6336 18.8127 177.1158 66 Y 4.7446 7.6655 112.3405 55.9668 38.7746 175.3106 67 W 4.6448 8.6717 124.3608 55.8621 30.7323 175.9874 68 E 4.1266 8.7468 121.5712 56.4261 29.9677 176.4854 69 I 4.3246 8.2362 124.7076 60.6252 38.5224 175.8965 70 W 4.5981 9.4080 135.0000 56.3098 29.7494 177.7082 71 G 3.6839 8.5086 119.0518 45.9323 0.0000 171.1831 72 L 4.7444 8.1505 125.0749 51.7366 44.7618 174.4233 73 P 4.1594 0.0000 0.0000 63.1112 31.4391 175.7732 74 L 4.1348 8.6104 122.8123 54.5310 41.4017 177.4022 75 F 4.1554 8.6654 123.4773 59.1766 39.5051 176.3998 76 D 4.7548 7.9875 128.4776 52.8281 40.5094 175.5730 77 V 4.3450 8.1608 123.7627 61.4126 33.0721 175.3882 78 T 4.3152 8.6203 122.9913 64.0276 70.4905 173.9922 79 D 4.8539 7.7906 121.6179 51.5259 42.5214 174.5678 80 P 4.3181 0.0000 0.0000 66.2695 30.8401 178.1028 81 A 4.0743 8.3135 119.5248 54.8384 18.3452 179.2605 82 A 4.0008 7.9778 119.2315 55.3358 18.4022 180.0952 83 V 3.6317 7.7828 116.2733 66.1111 31.6975 177.9102 84 L 4.0052 8.0852 118.8020 57.8417 41.3853 179.2254 85 F 4.1618 8.5728 120.5763 61.6312 39.2672 177.1566 86 E 4.0008 8.3043 117.5773 59.2236 29.1306 179.4482 87 I 3.5346 7.9475 120.1086 64.5183 37.2102 178.2895 88 N 4.1860 8.4017 117.3979 55.9740 38.2908 177.4330 89 A 3.7336 7.8570 122.6465 55.0060 18.4195 179.2539 90 C 2.0000 7.4985 117.2425 62.0280 31.2504 175.9128 91 R 3.7539 7.4963 118.5278 59.0637 29.6318 178.7226 92 K 3.9535 7.6888 118.3316 59.3394 32.3307 178.4523 93 A 4.1790 7.5921 119.3967 53.2651 19.7543 177.6087 94 R 4.4202 7.8130 115.8913 54.9655 30.4645 176.6742 95 S 4.1728 8.0452 115.1478 60.7496 63.9734 175.6109 96 N 4.9058 7.5176 114.7047 52.2198 36.9135 173.6273 97 F 4.7621 7.5316 114.4894 56.7138 44.1275 175.2453 98 Y 4.5098 8.9614 118.6763 57.4461 39.2815 174.9692 99 I 5.5689 8.9098 124.5370 59.4813 41.1787 174.6952 100 K 5.0124 9.3953 124.3666 55.1596 36.6022 174.9230 101 V 4.6364 7.9264 121.3590 61.0782 33.9013 174.5006 102 V 4.7556 8.8326 127.4728 60.9327 34.8361 174.2013 103 G 4.4616 8.9851 114.0752 44.4361 0.0000 171.3251 104 F 5.3421 9.3046 128.3379 56.3874 42.4015 173.9796 105 S 5.0183 8.0327 120.1381 56.6099 64.3650 174.4421 106 S 4.6969 8.9571 122.0741 58.7858 63.2128 174.5670 107 V 3.6779 7.3024 121.4115 62.5651 31.9192 176.3641 107A R 4.1052 8.4484 127.4852 58.9790 29.7714 177.8061 107B G 3.6667 8.0413 103.8450 47.4261 0.0000 173.1253 108 I 3.9130 7.2475 120.0026 59.1253 39.1605 175.4953 109 E 3.7511 7.7106 117.7244 55.4757 27.4269 173.0015 110 S 4.3630 6.1566 111.3748 57.4877 66.7518 173.4218 111 T 4.6392 8.4286 118.4385 63.4900 68.4445 175.0414 112 I 4.4564 8.6849 118.6796 60.6722 38.9903 175.1990 113 I 4.5734 7.5098 122.2285 60.3992 41.7326 173.3154 114 S 5.5512 8.9338 123.4570 57.8358 65.7703 172.8275 115 F 5.3176 8.1615 121.4310 55.1231 41.5915 173.6136 116 I 4.5006 8.6957 121.9577 61.6166 37.4392 176.1353 117 V 4.5175 8.7297 119.1856 61.1094 33.1089 175.2174 118 N 4.8328 7.7689 118.1199 52.6503 42.2060 173.1777 119 R 4.4193 8.2613 123.7162 53.1199 32.6872 173.4870 120 P 4.1823 0.0000 0.0000 62.3167 31.8354 177.4475 121 K 4.1659 8.3834 118.7096 59.4518 32.1779 177.3481 122 H 4.6714 7.6598 117.1799 54.5896 32.7440 171.8247 123 E 4.6654 8.4995 127.8892 53.8620 30.1612 173.3485 124 P 4.3128 0.0000 0.0000 65.9016 32.2716 175.1857 125 G 4.0262 8.0358 103.0480 43.7574 0.0000 172.0320 126 F 5.0549 8.7236 117.7361 55.6454 42.9624 174.1705 127 N 4.8828 8.6378 120.3967 51.3938 40.9827 173.3837 128 L 5.1424 8.5445 126.5089 53.7019 44.6353 175.0396 129 M 4.6118 9.1695 126.6818 53.9768 34.3282 175.5467 130 R 4.1092 8.5649 122.0003 54.3395 32.2352 174.0954 131 Q 4.3365 8.5115 126.1204 54.7717 30.6503 174.3879 132 E 4.3556 8.7159 126.4555 55.5834 30.0246 175.6267 133 D 4.9309 8.6828 124.8948 53.8780 41.9128 176.4249 134 K 4.1882 8.6083 116.5748 57.4039 34.1918 176.9549 135 S 3.5456 8.6444 119.2150 60.1840 62.1705 173.3004 136 R 4.5321 8.9444 124.4490 56.7297 30.6068 175.7726 137 S 4.4531 8.1945 116.1214 58.5486 63.9098 173.3562 138 I 4.8444 8.2389 123.5365 59.3592 40.5799 174.7683 139 K 4.5538 8.5503 124.7668 54.9681 34.1977 174.8875 140 Y 5.7204 8.6154 121.9936 55.9036 40.5760 175.2384 141 T 4.7114 8.5042 118.3823 61.9436 72.1937 172.6337 142 I 4.9523 8.5619 127.0360 59.9604 39.4385 174.7666 143 H 4.9555 9.0063 126.1528 54.3371 33.6748 172.8276 144 S 4.0746 8.5086 120.5044 57.9931 63.9481 174.6571 145 Y 4.4504 8.3109 121.8553 61.4481 38.0249 178.8430 146 E 3.9164 8.0714 118.6538 59.3552 29.6213 178.3795 147 S 4.5908 7.4836 112.5671 59.1067 62.3430 174.3944 148 Y 4.5193 7.7814 118.2045 58.2534 38.3068 175.8266 149 K 4.6023 7.6841 119.8699 53.4920 34.1651 174.6695 150 P 4.3482 0.0000 0.0000 62.7122 31.6266 176.6295 151 E 3.8497 9.1134 121.7141 59.6964 29.3897 178.7394 152 D 4.5854 8.0998 114.9216 54.9908 39.7189 176.2738 153 E 4.5810 8.3368 118.8117 56.0743 30.1734 175.5869 154 R 4.1999 7.4784 118.3237 56.0399 31.2760 176.2510 155 Y 3.9524 8.2300 119.1054 58.6594 38.4196 169.6468 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 8 V 8.05 4.08 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 1.01 0.00 0.00 1.01 0.00 0.00 9 R 8.20 4.36 0.00 1.80 1.75 0.00 3.19 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 10 I 8.47 4.06 1.92 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 0.92 0.00 0.00 11 T 8.32 4.67 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 12 Q 7.99 4.13 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 13 G 8.62 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 0.00 0.00 0.00 14 T 8.49 3.78 3.25 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 0.51 0.00 0.00 15 F 7.81 5.13 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 16 S 8.42 4.54 0.00 4.00 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 17 F 8.33 4.26 0.00 3.00 3.17 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 0.00 0.00 0.00 0.00 18 L 7.69 4.65 0.00 1.88 1.63 0.94 1.10 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 19 P 0.00 4.38 0.00 2.04 2.00 0.00 3.70 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 2.04 2.13 0.00 20 D 8.56 4.46 0.00 2.68 2.66 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 21 L 8.52 4.26 0.00 1.69 1.59 0.77 0.73 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 22 T 8.94 4.23 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 1.20 0.00 0.00 23 D 8.77 4.37 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 24 E 8.10 3.91 0.00 1.99 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 2.38 2.34 0.00 25 Q 7.68 3.95 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 26 I 8.06 3.77 2.09 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 1.64 0.86 1.10 0.00 0.00 27 K 8.30 3.91 0.00 1.99 2.05 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.67 7.81 28 K 7.81 4.28 0.00 1.93 1.81 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 29 Q 7.95 4.07 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.27 1.83 0.00 30 I 8.25 3.90 2.12 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 1.67 1.07 0.99 0.00 0.00 31 D 8.41 4.40 0.00 2.95 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 32 Y 7.84 4.30 0.00 3.10 3.26 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 0.00 33 M 8.37 3.97 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.76 0.00 34 I 8.17 3.77 2.05 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 1.61 1.01 0.93 0.00 0.00 35 S 8.38 4.22 0.00 4.01 4.12 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 0.00 0.00 0.00 0.00 36 K 7.41 4.29 0.00 1.44 1.69 0.00 1.36 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 0.95 7.81 37 K 7.79 3.84 0.00 1.86 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 7.67 4.76 0.00 1.57 1.74 0.92 0.83 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 39 A 8.84 4.36 1.13 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 0.00 0.00 40 I 8.61 4.80 1.86 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 1.19 0.96 0.93 0.00 0.00 41 G 9.18 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 42 I 8.34 5.13 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.90 0.00 0.00 43 E 9.26 5.59 0.00 1.89 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 2.28 2.24 0.00 44 Y 9.16 6.30 0.00 3.13 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.33 4.99 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 0.98 0.00 0.00 46 N 8.66 5.20 0.00 2.81 2.36 0.00 0.00 5.74 8.06 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 47 D 7.64 4.60 0.00 2.49 2.45 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 0.00 0.00 0.00 0.00 48 I 7.60 4.01 1.69 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.36 0.17 0.00 0.00 49 H 7.49 4.64 0.00 3.36 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.34 0.00 2.09 2.05 0.00 3.38 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 51 R 7.87 4.09 0.00 1.98 2.01 0.00 3.29 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 *64 N 8.03 5.03 0.00 2.73 3.00 0.00 0.00 7.31 7.96 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 65 A 8.21 3.84 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 66 Y 7.67 4.74 0.00 3.05 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 67 W 8.67 4.64 0.00 3.29 3.26 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 0.00 68 E 8.75 4.13 0.00 1.16 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 2.20 2.25 0.00 69 I 8.24 4.32 2.02 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 1.26 0.50 0.98 0.00 0.00 70 W 9.41 4.60 0.00 3.62 3.26 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 0.00 71 G 8.51 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.15 4.74 0.00 1.54 1.54 0.92 0.91 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 73 P 0.00 4.16 0.00 1.42 1.80 0.00 3.81 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 1.86 1.88 0.00 74 L 8.61 4.13 0.00 1.71 1.65 1.00 1.24 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 75 F 8.67 4.16 0.00 3.12 3.08 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 76 D 7.99 4.75 0.00 2.72 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 77 V 8.16 4.35 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 0.86 0.00 0.00 0.96 0.00 0.00 78 T 8.62 4.32 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 1.23 0.00 0.00 79 D 7.79 4.85 0.00 2.74 2.54 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 0.00 0.00 0.00 0.00 80 P 0.00 4.32 0.00 2.34 2.36 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 81 A 8.31 4.07 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.98 4.00 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.78 3.63 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 1.19 0.00 0.00 0.99 0.00 0.00 84 L 8.09 4.01 0.00 1.97 1.80 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.57 4.16 0.00 3.23 3.35 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 86 E 8.30 4.00 0.00 2.32 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 0.00 2.72 2.67 0.00 87 I 7.95 3.53 2.00 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 1.48 0.87 0.86 0.00 0.00 88 N 8.40 4.19 0.00 2.80 2.74 0.00 0.00 6.97 6.93 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 89 A 7.86 3.73 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 90 C 7.50 2.00 0.00 1.60 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 91 R 7.50 3.75 0.00 1.80 1.85 0.00 3.12 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 92 K 7.69 3.95 0.00 1.83 1.83 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.53 7.81 93 A 7.59 4.18 1.21 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 94 R 7.81 4.42 0.00 1.23 1.00 0.00 2.21 0.00 0.00 2.50 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 95 S 8.05 4.17 0.00 3.85 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 96 N 7.52 4.91 0.00 2.98 2.85 0.00 0.00 6.77 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 97 F 7.53 4.76 0.00 2.92 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.96 4.51 0.00 2.78 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 99 I 8.91 5.57 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 0.96 0.00 0.00 100 K 9.40 5.01 0.00 1.64 1.71 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.87 1.01 7.81 101 V 7.93 4.64 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 0.00 0.00 0.80 0.00 0.00 0.70 0.00 0.00 102 V 8.83 4.76 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 1.01 0.00 0.00 0.77 0.00 0.00 103 G 8.99 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 0.00 104 F 9.30 5.34 0.00 3.05 2.85 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 0.00 105 S 8.03 5.02 0.00 3.79 3.46 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 0.00 106 S 8.96 4.70 0.00 4.01 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 0.00 107 V 7.30 3.68 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 0.99 0.00 0.00 0.92 0.00 0.00 107A R 8.45 4.11 0.00 1.80 1.98 0.00 3.11 0.00 0.00 3.89 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 107B G 8.04 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.25 3.91 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.76 0.00 0.00 109 E 7.71 3.75 0.00 2.11 2.03 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 2.38 2.44 0.00 110 S 6.16 4.36 0.00 3.86 3.52 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 0.00 111 T 8.43 4.64 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 1.28 0.00 0.00 112 I 8.68 4.46 1.89 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 1.09 0.70 0.84 0.00 0.00 113 I 7.51 4.57 2.07 0.00 0.00 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 1.59 1.19 1.14 0.00 0.00 114 S 8.93 5.55 0.00 3.77 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.16 5.32 0.00 3.21 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.70 4.50 2.06 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.03 1.23 0.00 0.00 117 V 8.73 4.52 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 0.69 0.00 0.00 0.92 0.00 0.00 118 N 7.77 4.83 0.00 2.68 2.57 0.00 0.00 6.91 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.26 4.42 0.00 1.51 1.43 0.00 3.34 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 120 P 0.00 4.18 0.00 1.80 1.55 0.00 2.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.00 121 K 8.38 4.17 0.00 1.76 1.92 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.39 7.81 122 H 7.66 4.67 0.00 3.10 3.17 0.00 5.73 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 0.00 123 E 8.50 4.67 0.00 2.03 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 2.34 2.42 0.00 124 P 0.00 4.31 0.00 2.15 2.10 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 125 G 8.04 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 0.00 0.00 0.00 126 F 8.72 5.05 0.00 2.81 2.84 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 0.00 127 N 8.64 4.88 0.00 2.01 2.66 0.00 0.00 6.50 6.25 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 0.00 128 L 8.54 5.14 0.00 1.71 1.61 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 129 M 9.17 4.61 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 130 R 8.56 4.11 0.00 1.61 1.71 0.00 3.24 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 131 Q 8.51 4.34 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 132 E 8.72 4.36 0.00 1.86 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 2.26 2.26 0.00 133 D 8.68 4.93 0.00 2.51 2.36 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 0.00 134 K 8.61 4.19 0.00 1.85 1.71 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 135 S 8.64 3.55 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 0.00 136 R 8.94 4.53 0.00 1.78 1.93 0.00 3.37 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 137 S 8.19 4.45 0.00 3.89 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 0.00 138 I 8.24 4.84 1.45 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 1.19 0.67 0.17 0.00 0.00 139 K 8.55 4.55 0.00 1.58 1.68 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.50 7.81 140 Y 8.62 5.72 0.00 2.80 2.85 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 0.00 141 T 8.50 4.71 4.30 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 1.26 0.00 0.00 142 I 8.56 4.95 1.82 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 1.18 0.56 0.65 0.00 0.00 143 H 9.01 4.96 0.00 3.10 2.94 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.51 4.07 0.00 3.64 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 0.00 145 Y 8.31 4.45 0.00 3.07 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 0.00 146 E 8.07 3.92 0.00 1.56 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 2.09 1.47 0.00 147 S 7.48 4.59 0.00 3.61 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 7.78 4.52 0.00 3.22 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 0.00 149 K 7.68 4.60 0.00 1.78 1.68 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.36 7.81 150 P 0.00 4.35 0.00 2.39 2.19 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 2.28 1.97 0.00 151 E 9.11 3.85 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 2.49 2.47 0.00 152 D 8.10 4.59 0.00 2.86 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 0.00 153 E 8.34 4.58 0.00 2.02 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 2.22 2.23 0.00 154 R 7.48 4.20 0.00 1.60 1.32 0.00 3.16 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 155 Y 8.23 3.95 0.00 3.11 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 * Residues marked with a * may have inaccurate shift predictions.