NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6456 8.3649 120.5270 54.2753 42.1832 174.3612 3 V 4.7158 8.1048 115.9960 58.0962 36.2387 172.9816 4 T 4.6819 9.5457 113.7943 60.1165 71.9396 172.7449 5 I 4.9187 8.3017 124.6293 59.8050 38.9817 174.5905 6 E 4.8603 9.3006 127.8743 54.0623 33.1503 174.6572 7 R 4.1161 8.8379 126.7729 56.1570 31.0987 176.0346 8 V 3.9081 8.0549 126.3419 62.4727 31.2169 174.8845 9 N 5.0485 8.6195 124.0967 52.9407 40.0389 174.9132 10 D 4.6695 7.6738 116.5934 51.9483 42.4300 174.9654 11 F 4.6280 8.9891 125.7832 60.6273 39.1698 177.0287 12 D 4.8520 8.5845 117.9942 55.2802 40.7290 176.9689 13 G 3.7129 8.0988 107.8189 45.5482 0.0000 173.3831 14 Y 4.4277 7.2924 115.8675 55.7386 40.9220 175.3061 15 N 4.6235 8.4028 121.5160 52.7396 38.3485 175.3806 16 W 4.6218 8.6002 125.5748 57.3284 29.5895 178.2253 17 L 4.0824 8.4064 120.4572 57.3621 41.0850 177.4462 18 P 4.3021 0.0000 0.0000 65.5047 31.3205 178.4135 19 L 4.1535 8.0057 118.6797 58.1134 42.1474 178.7831 20 L 3.9327 8.3996 119.0345 57.6765 41.5551 179.4408 21 A 3.9871 8.4187 120.9819 55.1981 18.4547 179.8989 22 K 4.0435 8.2539 117.3181 59.5651 32.1089 179.8341 23 S 4.2558 7.9198 115.9189 61.0868 62.7462 176.7246 24 S 4.2239 8.0921 118.9787 61.3210 62.3393 176.4860 25 Q 4.0117 8.0313 119.6981 59.1586 28.6273 178.4758 26 E 4.2255 8.0515 116.4801 56.8202 29.6921 177.7820 27 G 3.7613 8.0056 107.6432 45.3074 0.0000 173.1071 28 F 4.8607 7.9446 118.0669 56.4443 40.2584 176.5378 29 Q 4.5088 8.5891 122.4915 55.8459 29.0713 177.7680 30 L 4.0577 7.8278 121.4037 58.7574 40.5561 179.1001 31 V 3.5263 7.4268 117.7748 65.5146 31.8456 176.8901 32 E 4.0313 8.0768 118.6067 59.4612 29.3499 180.1172 33 R 3.9906 8.2580 115.0895 56.9063 29.8461 178.4982 *35 L 3.7068 7.9038 121.1272 54.7263 43.5925 179.5432 36 R 3.7754 8.0860 116.9624 59.0247 30.1320 177.2167 37 N 4.7079 8.0994 113.6693 52.9823 38.8743 176.9717 38 R 4.1581 7.2784 116.3897 57.8205 29.7388 179.2157 39 R 3.8973 7.8214 117.6980 58.9343 30.4639 177.2543 40 E 4.1221 8.1114 117.1027 57.9441 30.1903 176.2488 41 E 4.3275 8.0422 120.7246 54.5575 28.6870 176.2710 42 S 4.8462 7.9030 115.2206 57.8021 63.8219 175.4855 43 F 3.7401 7.6162 118.5715 58.6302 36.3287 176.2401 44 Q 4.4746 7.9193 118.7722 56.0024 30.0824 176.0269 45 E 4.5506 8.4164 118.5340 54.8358 30.6177 175.5492 46 D 4.3897 8.3428 119.9259 56.3126 41.1393 177.4740 47 G 4.1265 9.7905 110.6343 45.5208 0.0000 172.7276 48 E 4.4409 7.7366 115.4920 54.8141 33.0091 174.8729 49 A 4.5225 7.4435 119.5084 52.3864 23.1440 175.1726 *51 F 4.9264 8.5118 111.9160 57.8680 40.9771 174.8354 52 V 5.0012 8.8001 113.5885 59.5859 35.7832 174.4166 53 A 5.0348 8.8249 125.8246 50.6246 20.8316 175.8837 54 L 5.1794 8.9618 123.6349 52.7649 44.5878 177.3131 55 S 4.7944 8.9669 119.0762 57.6959 63.9462 175.1399 56 T 3.9657 8.3773 110.0835 63.9918 68.5047 175.0410 57 T 4.3733 7.7544 111.1447 61.4232 68.9475 174.5779 58 N 4.3914 8.1761 116.5877 54.3932 36.7375 174.0544 59 Q 4.3979 7.6430 117.7536 54.3161 30.0903 175.3789 60 V 4.0433 8.1609 121.9142 63.0299 32.1164 175.4869 61 L 4.7086 8.8774 126.3953 55.1684 43.9482 175.7531 62 A 5.0741 7.6043 118.7530 51.5104 22.5973 174.5692 63 C 5.2815 9.0046 113.4805 56.7773 33.6027 173.4391 64 G 4.4180 8.5272 107.9703 46.8069 0.0000 173.4032 65 G 4.4129 8.2732 107.9278 46.3368 0.0000 171.1180 66 Y 5.9435 8.4511 118.1785 56.3690 42.1459 173.7029 *68 K 4.0819 8.3701 120.0442 56.1024 33.2791 174.6843 69 Q 4.2446 8.4622 129.3176 55.3314 29.8022 175.9426 70 S 4.1167 8.6583 121.7163 59.7453 63.7954 173.9241 71 G 4.1465 9.0273 114.0909 45.7687 0.0000 173.8898 72 Q 4.2621 7.5012 116.6755 54.6449 29.9226 174.7038 73 A 4.5398 8.1961 122.2069 51.2972 20.9349 176.6315 74 R 4.0707 8.6371 113.7190 57.3685 28.1077 175.6467 75 T 5.0751 7.8761 114.1199 61.7462 71.4698 173.3701 76 G 3.3802 8.6713 113.2131 44.0125 0.0000 171.9414 77 R 5.1052 7.9922 121.7519 54.2359 32.5811 174.7793 78 I 4.6884 8.5026 128.2162 61.1111 37.9338 175.6661 79 R 4.5417 8.7782 125.4465 54.8102 34.5815 174.8779 80 H 4.1020 8.4053 115.8521 56.9316 26.2040 174.8908 81 V 4.4619 7.8141 118.6241 62.4343 32.2792 174.7986 82 Y 4.6321 9.0995 128.8361 56.3160 42.6412 173.2361 83 V 4.4433 7.3349 125.9294 60.4314 34.0671 174.9850 84 L 3.9402 8.7762 127.6402 55.0009 42.4420 176.3887 85 P 4.1430 0.0000 0.0000 65.9793 31.3849 178.3763 86 E 4.0735 8.1964 114.3911 58.1495 29.4986 177.2239 87 A 4.5030 7.6939 120.3337 51.9028 18.3738 177.4797 88 R 3.9716 7.5491 115.3836 57.0072 30.6772 177.0027 89 S 3.8691 8.5520 113.2055 60.0257 59.8938 171.2945 90 H 4.7504 7.7279 113.0141 55.4717 29.3846 175.0748 91 G 4.0008 8.2863 107.7714 45.9215 0.0000 176.0027 92 I 3.7798 7.7480 121.3117 64.3155 37.1255 178.2911 93 G 3.4649 7.9114 106.0531 48.0247 0.0000 175.6612 94 T 4.0919 8.0015 117.4055 66.4684 68.5830 176.4187 95 A 3.9959 8.1007 122.6858 54.9611 18.3199 179.4657 96 L 3.8293 8.2214 118.9850 58.3625 42.0231 179.2709 97 L 4.1145 8.2073 117.9395 57.8997 41.6599 178.9565 98 E 4.2080 8.3459 117.8432 59.2562 29.6674 179.1180 99 K 4.0758 8.0180 119.5752 59.4489 32.2511 179.3263 100 I 3.6173 7.5598 115.9647 62.6564 36.5567 177.5430 *102 S 4.5910 7.9017 116.1271 58.4647 64.2613 174.7558 103 E 4.0803 8.2978 120.6195 59.1303 29.8622 178.5600 104 A 3.3649 8.0436 122.0861 54.9170 18.3089 178.9748 105 F 4.8115 7.4499 111.1271 58.4413 39.0602 176.3391 106 L 4.2308 7.8399 121.1035 56.9349 41.7582 177.9297 107 T 4.1737 7.6579 114.0000 63.8256 69.8690 174.3865 108 Y 4.9306 7.4243 117.3714 56.4071 40.7808 175.4891 109 D 5.0384 9.1597 121.9159 54.8184 42.4320 176.0620 110 R 5.2641 7.9232 118.9465 54.9775 33.9980 173.2209 111 L 5.2088 9.2649 125.7053 53.0935 44.8297 175.9398 112 V 5.2332 8.7264 115.7557 59.9499 36.3264 174.2581 113 L 4.6156 8.3816 120.7279 55.1548 44.1496 173.3458 114 Y 4.8111 8.4529 121.0073 55.9294 40.6566 175.1165 115 S 4.4301 8.8583 122.0715 56.7914 64.5891 173.5537 116 E 4.1304 8.8223 127.5363 57.8422 29.7411 177.4501 117 Q 4.6142 8.1356 115.2567 55.7142 31.0160 175.3716 118 A 4.8344 7.7645 121.5274 51.0102 19.9947 177.8324 119 D 4.4885 8.6593 120.9553 58.5490 41.3428 175.1063 120 P 4.2573 0.0000 0.0000 65.6343 30.9123 177.9408 121 F 4.1867 8.2560 118.6680 61.9648 39.1812 176.7608 122 Y 3.9348 7.8783 115.9244 60.9518 37.5525 178.3841 123 Q 4.5460 8.3488 121.0440 58.3950 28.5960 178.9424 124 G 3.6655 8.2175 105.9733 47.1267 0.0000 174.7454 125 L 4.4323 7.1200 117.6906 54.4366 42.1798 177.3385 126 G 4.0731 8.0388 106.7407 44.8000 0.0000 174.3221 127 F 4.3842 8.5472 119.4413 57.5907 40.4687 173.9724 128 Q 4.7398 9.2098 124.1765 54.5413 30.6688 174.5487 129 L 4.5403 8.5644 128.7148 55.3202 42.7960 176.2007 130 V 4.4885 8.6441 118.4782 60.0639 36.0127 176.2272 131 S 4.5229 8.7932 119.9872 56.8056 61.6417 173.6663 132 G 4.2662 7.9826 111.6933 42.9536 0.0000 170.9168 133 E 4.1052 8.8494 120.0247 58.6816 29.7297 177.8034 134 K 4.3549 7.9844 115.2736 56.4708 33.5644 176.2975 135 I 5.0218 7.5595 111.7490 59.2574 40.6976 175.3818 136 T 4.6240 8.8680 111.5454 62.4533 71.3468 173.6502 137 H 5.5104 7.8809 117.6112 54.4846 33.6079 172.2829 138 T 5.3332 9.1079 114.7683 60.8993 71.5583 172.4405 139 L 4.8395 8.9391 128.2818 53.9564 45.8471 174.9399 140 D 5.0952 8.7972 126.0684 53.4754 42.1919 177.2861 141 K 2.8002 8.8893 123.8748 59.5608 32.0104 179.5037 142 T 3.7509 7.7952 109.3898 64.6783 68.6267 176.2226 143 A 3.8750 7.7974 123.1008 54.7000 18.2867 179.1033 144 F 3.8936 7.7959 117.8151 61.3238 39.4620 176.8608 145 A 3.8738 8.2259 119.2438 55.3492 18.2875 179.1540 146 D 4.3449 7.9699 116.1619 57.2508 40.8863 177.4469 147 S 4.3195 7.6629 119.4873 58.6827 62.9938 173.8591 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 D 8.36 4.65 0.00 2.67 2.68 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 3 V 8.10 4.72 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 0.69 0.00 0.00 0.93 0.00 0.00 4 T 9.55 4.68 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 5 I 8.30 4.92 1.82 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 1.22 0.85 0.87 0.00 0.00 6 E 9.30 4.86 0.00 2.05 1.81 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 2.32 2.31 0.00 7 R 8.84 4.12 0.00 2.02 1.87 0.00 3.29 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.31 0.00 8 V 8.05 3.91 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 0.02 0.00 0.00 0.66 0.00 0.00 9 N 8.62 5.05 0.00 2.75 2.85 0.00 0.00 6.95 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 10 D 7.67 4.67 0.00 2.70 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 11 F 8.99 4.63 0.00 3.22 3.20 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 12 D 8.58 4.85 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.10 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 14 Y 7.29 4.43 0.00 2.11 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 0.00 0.00 0.00 0.00 15 N 8.40 4.62 0.00 2.64 2.72 0.00 0.00 7.03 7.95 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 16 W 8.60 4.62 0.00 3.51 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.41 4.08 0.00 1.88 1.77 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.30 0.00 2.20 2.14 0.00 3.74 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 2.13 2.17 0.00 19 L 8.01 4.15 0.00 1.96 1.91 1.14 0.99 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 20 L 8.40 3.93 0.00 1.95 1.72 0.99 1.06 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 21 A 8.42 3.99 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 22 K 8.25 4.04 0.00 2.01 2.08 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.70 7.81 23 S 7.92 4.26 0.00 3.49 2.68 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 24 S 8.09 4.22 0.00 4.05 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 25 Q 8.03 4.01 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 26 E 8.05 4.23 0.00 2.37 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 2.45 2.70 0.00 27 G 8.01 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.94 4.86 0.00 3.11 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 29 Q 8.59 4.51 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 30 L 7.83 4.06 0.00 1.88 1.87 0.95 0.38 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 31 V 7.43 3.53 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 0.80 0.00 0.00 0.65 0.00 0.00 32 E 8.08 4.03 0.00 2.01 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 0.00 2.32 2.37 0.00 33 R 8.26 3.99 0.00 1.89 1.91 0.00 3.21 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 *35 L 7.90 3.71 0.00 1.44 1.40 0.47 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.09 3.78 0.00 1.74 1.91 0.00 3.09 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 37 N 8.10 4.71 0.00 2.80 2.74 0.00 0.00 6.75 6.94 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 38 R 7.28 4.16 0.00 1.20 1.49 0.00 2.21 0.00 0.00 2.74 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 39 R 7.82 3.90 0.00 1.77 1.99 0.00 3.17 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 40 E 8.11 4.12 0.00 2.13 1.89 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 2.26 1.89 0.00 41 E 8.04 4.33 0.00 1.90 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 2.02 2.08 0.00 42 S 7.90 4.85 0.00 4.07 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 43 F 7.62 3.74 0.00 3.33 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 44 Q 7.92 4.47 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 45 E 8.42 4.55 0.00 2.04 1.86 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 2.37 2.38 0.00 46 D 8.34 4.39 0.00 2.67 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 47 G 9.79 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 0.00 0.00 0.00 0.00 48 E 7.74 4.44 0.00 1.93 1.78 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 2.38 2.29 0.00 49 A 7.44 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 F 8.51 4.93 0.00 3.21 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 52 V 8.80 5.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.55 0.00 0.00 53 A 8.82 5.03 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 54 L 8.96 5.18 0.00 1.55 1.57 1.11 0.66 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 55 S 8.97 4.79 0.00 3.95 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 56 T 8.38 3.97 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 1.24 0.00 0.00 57 T 7.75 4.37 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 1.20 0.00 0.00 58 N 8.18 4.39 0.00 2.91 3.00 0.00 0.00 6.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.64 4.40 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 60 V 8.16 4.04 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 0.59 0.00 0.00 0.49 0.00 0.00 61 L 8.88 4.71 0.00 1.54 1.63 0.89 0.60 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 62 A 7.60 5.07 1.17 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 0.00 0.00 63 C 9.00 5.28 0.00 3.18 3.29 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 64 G 8.53 4.42 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 0.00 65 G 8.27 4.41 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 0.00 66 Y 8.45 5.94 0.00 3.13 3.11 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 *68 K 8.37 4.08 0.00 2.01 1.83 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.59 7.81 69 Q 8.46 4.24 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 70 S 8.66 4.12 0.00 4.02 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 71 G 9.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.50 4.26 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 73 A 8.20 4.54 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 74 R 8.64 4.07 0.00 2.11 2.09 0.00 3.28 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 75 T 7.88 5.08 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 1.20 0.00 0.00 76 G 8.67 3.38 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 0.00 77 R 7.99 5.11 0.00 1.94 1.74 0.00 3.33 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 78 I 8.50 4.69 1.73 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.95 0.00 0.00 79 R 8.78 4.54 0.00 1.73 1.49 0.00 3.31 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.85 0.00 80 H 8.41 4.10 0.00 3.23 3.26 0.00 5.61 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.81 4.46 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 0.83 0.00 0.00 1.08 0.00 0.00 82 Y 9.10 4.63 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.33 4.44 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 0.78 0.00 0.00 0.73 0.00 0.00 84 L 8.78 3.94 0.00 1.64 1.60 0.99 1.11 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 85 P 0.00 4.14 0.00 2.19 2.14 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 86 E 8.20 4.07 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 87 A 7.69 4.50 1.26 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 0.00 0.00 88 R 7.55 3.97 0.00 1.92 1.72 0.00 3.12 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.00 89 S 8.55 3.87 0.00 3.86 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 90 H 7.73 4.75 0.00 3.06 3.22 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.29 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 92 I 7.75 3.78 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.61 0.88 0.00 0.00 93 G 7.91 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 0.00 0.00 0.00 94 T 8.00 4.09 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 1.27 0.00 0.00 95 A 8.10 4.00 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 96 L 8.22 3.83 0.00 1.88 1.98 1.01 0.99 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 97 L 8.21 4.11 0.00 1.96 1.82 1.15 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.35 4.21 0.00 1.96 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 2.58 0.00 99 K 8.02 4.08 0.00 1.76 1.60 0.00 1.41 0.00 0.00 0.94 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.79 1.27 7.81 100 I 7.56 3.62 2.10 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.54 1.04 0.00 0.00 *102 S 7.90 4.59 0.00 4.12 4.04 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 0.00 103 E 8.30 4.08 0.00 2.18 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 2.54 2.41 0.00 104 A 8.04 3.36 0.38 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 0.00 105 F 7.45 4.81 0.00 2.75 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 0.00 106 L 7.84 4.23 0.00 1.78 1.74 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.66 4.17 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 108 Y 7.42 4.93 0.00 2.89 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 0.00 109 D 9.16 5.04 0.00 2.67 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 0.00 110 R 7.92 5.26 0.00 1.93 1.78 0.00 3.16 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 111 L 9.26 5.21 0.00 1.54 1.44 0.05 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.73 5.23 2.09 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 0.82 0.00 0.00 0.98 0.00 0.00 113 L 8.38 4.62 0.00 1.44 1.41 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 8.45 4.81 0.00 3.17 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 0.00 115 S 8.86 4.43 0.00 3.74 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 0.00 116 E 8.82 4.13 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 117 Q 8.14 4.61 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.52 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 118 A 7.76 4.83 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 0.00 119 D 8.66 4.49 0.00 2.91 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 0.00 120 P 0.00 4.26 0.00 2.24 2.13 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 121 F 8.26 4.19 0.00 2.81 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 0.00 122 Y 7.88 3.93 0.00 2.75 2.56 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 0.00 123 Q 8.35 4.55 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 124 G 8.22 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 0.00 125 L 7.12 4.43 0.00 2.02 1.85 0.22 0.92 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 0.00 126 G 8.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.55 4.38 0.00 3.32 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 0.00 128 Q 9.21 4.74 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 129 L 8.56 4.54 0.00 1.68 1.55 0.75 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.64 4.49 2.09 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 0.76 0.00 0.00 0.96 0.00 0.00 131 S 8.79 4.52 0.00 3.85 3.83 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 0.00 132 G 7.98 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 0.00 0.00 0.00 0.00 133 E 8.85 4.11 0.00 1.96 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 2.27 2.32 0.00 134 K 7.98 4.35 0.00 2.04 1.82 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 0.98 7.81 135 I 7.56 5.02 2.00 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 1.51 0.98 0.94 0.00 0.00 136 T 8.87 4.62 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 0.59 0.00 0.00 137 H 7.88 5.51 0.00 2.76 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 9.11 5.33 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 1.32 0.00 0.00 139 L 8.94 4.84 0.00 1.10 1.13 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.80 5.10 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.89 2.80 0.00 1.92 1.73 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.25 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.16 1.24 7.81 142 T 7.80 3.75 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 1.18 0.00 0.00 143 A 7.80 3.88 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 0.00 144 F 7.80 3.89 0.00 2.51 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.23 3.87 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 0.00 146 D 7.97 4.34 0.00 2.59 2.68 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 0.00 147 S 7.66 4.32 0.00 3.77 3.64 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.