NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3221 8.1693 120.6336 54.9903 43.1517 177.5145 6 D 4.5890 8.5210 126.1036 51.0969 38.1789 173.5944 7 L 4.7186 8.1219 124.2508 53.5357 45.6386 178.7412 8 Q 4.2791 8.7596 121.3780 54.8279 30.8571 175.8627 9 P 4.3542 0.0000 0.0000 66.1101 31.3937 179.3166 10 G 3.6645 8.0793 103.7470 47.8843 0.0000 175.6383 11 Q 4.0647 8.0301 119.8068 58.5369 28.7247 178.7837 12 R 3.7835 7.8999 119.2558 59.2657 30.0854 178.8789 13 L 3.9099 7.7410 118.0459 57.9654 41.5840 179.6298 14 A 3.9458 8.1009 120.4853 54.8719 18.2496 179.6443 15 R 3.8726 8.0477 117.5961 59.6390 30.1763 179.0858 16 G 3.9859 7.8605 106.3470 47.1178 0.0000 175.6415 17 V 3.5346 8.0902 120.7127 65.7798 31.5751 177.9300 18 A 3.9983 8.1540 120.5607 55.2068 18.2163 179.6960 19 R 3.8573 8.0192 116.4830 59.8198 29.8096 178.8649 20 H 4.2217 8.2657 117.8677 59.0858 29.8598 177.1016 21 L 3.8012 8.2496 121.3175 57.9234 41.4881 179.6132 22 R 4.5938 8.3040 119.5748 58.9328 29.8194 178.2771 23 A 4.0537 7.9100 119.5795 54.4202 18.2707 177.6241 24 H 4.7104 7.5251 113.2425 55.7501 29.2474 175.7114 25 G 3.8989 8.1377 106.5599 45.7042 0.0000 174.4765 26 F 4.4991 8.0517 118.7829 56.7117 41.1099 174.8319 27 V 5.0371 8.4275 113.2941 60.0159 35.8349 174.6047 28 S 5.1685 8.4508 114.5079 57.7385 65.7650 173.5389 29 V 4.5066 8.3057 112.6208 59.7956 36.0471 174.1855 30 E 4.8649 8.6555 120.6834 54.8046 31.9393 175.7243 31 E 3.8503 8.2147 119.4618 57.4540 27.6829 175.1079 32 F 4.3725 8.2579 120.8728 57.3526 40.7191 174.4583 33 V 4.3971 7.1538 127.1649 59.6278 30.9527 173.3601 34 P 4.0211 0.0000 0.0000 64.4450 32.0072 176.2856 35 A 4.0645 6.9441 119.0567 50.7157 21.4807 175.3733 36 R 3.9298 8.4824 118.6546 58.2947 30.3693 177.7166 37 G 3.9707 8.9724 109.7730 45.2514 0.0000 172.8296 38 L 4.9738 7.6080 119.3213 52.9537 45.4568 175.6184 39 R 4.8223 8.6039 120.8899 55.1916 33.3142 174.2995 40 V 4.4787 9.1130 119.5637 59.7752 34.2709 176.6541 41 D 4.3346 9.3992 125.0139 57.3710 41.8168 175.8434 42 V 5.0522 7.1184 116.7415 60.3277 35.4272 173.8277 *44 G 4.0961 8.5246 104.9763 46.2564 0.0000 171.7291 45 L 4.7600 8.8142 125.6524 52.7411 44.6871 176.5133 46 G 2.4185 8.1274 115.9101 43.1040 0.0000 172.6087 47 P 4.0444 0.0000 0.0000 64.4377 31.3849 177.3310 48 K 4.2476 8.4132 117.8108 56.0611 32.1676 176.8074 49 G 3.7697 7.8903 106.6082 45.2023 0.0000 173.9174 50 E 4.3188 7.7165 119.2741 56.3816 30.8962 175.7666 51 I 4.9193 9.7762 124.8702 59.3918 39.9008 174.5207 52 W 5.6539 9.2781 127.2942 54.9790 31.8410 175.2015 53 V 4.6413 8.8649 123.9579 61.2409 33.7104 174.2949 54 I 4.7318 8.7740 128.3870 59.5599 40.3989 174.1352 55 E 4.6941 8.4573 127.6608 55.2045 31.1492 175.2204 56 C 4.9797 9.1328 123.7831 58.5322 28.8535 173.3001 57 K 5.5436 8.9257 124.6120 54.1558 32.6592 177.1594 58 S 4.5735 9.2194 119.3526 59.2668 64.1071 174.4397 59 S 4.7818 7.7492 116.0371 56.3243 67.8580 174.8595 60 R 4.0042 8.6663 122.6121 59.7698 29.7823 179.2123 61 A 4.3494 8.0021 121.1899 54.6777 18.4654 178.8906 62 D 4.4121 8.2824 116.1582 57.5483 41.2904 178.2472 63 F 4.4773 8.2756 120.9450 61.4165 39.3025 177.1289 64 Q 3.7241 8.5413 117.8685 58.9992 28.3007 178.8538 65 A 4.1169 8.0436 120.3158 53.9086 18.9181 176.8580 66 D 4.9409 8.0987 117.7368 54.0419 41.7644 178.3136 67 A 4.1823 8.2460 122.8842 54.9391 18.7942 178.8633 68 K 4.3842 7.9782 114.3902 56.3437 32.5163 178.7989 69 W 4.1353 8.1207 120.5057 59.8829 27.8877 177.6423 70 Q 3.1312 6.7122 118.1286 58.0944 27.7044 178.7052 71 G 3.5579 7.5978 106.0541 47.3203 0.0000 174.9879 72 Y 4.7468 7.7461 118.8649 60.5427 37.7020 177.8331 73 L 4.0478 7.7466 120.5348 57.7703 41.7937 178.8015 74 E 3.9776 7.9943 113.3554 57.4128 29.6067 177.0114 75 W 4.9715 8.0476 119.0969 56.4588 29.5705 174.8451 76 C 4.9654 7.7086 112.3685 57.1851 32.3485 173.7141 77 D 4.8711 9.5045 121.1562 56.8916 41.9111 177.1088 78 R 4.7968 8.0847 115.9927 54.4094 34.8070 173.5631 79 Y 5.1771 8.3352 123.8126 55.8357 41.5194 174.1819 80 F 4.8846 8.2793 124.4576 55.3078 43.4834 174.0967 81 W 4.9555 8.6894 121.2440 55.6132 31.3678 175.2497 82 A 5.1540 9.1016 124.4685 50.4265 21.4377 175.6922 83 V 4.7855 8.4133 114.9244 60.2745 37.2105 177.7032 84 D 5.2226 8.7097 123.6238 53.6971 37.4406 179.1178 *86 E 4.3059 9.2328 119.2020 55.5496 31.7804 175.7393 87 F 4.0854 8.0831 121.4779 57.2363 40.2355 174.3241 88 P 4.4594 0.0000 0.0000 61.3119 29.5321 176.2760 89 A 4.1380 8.2409 129.7161 56.0334 18.8493 180.0974 90 E 4.0394 8.0586 114.0810 59.1079 29.6287 178.1161 91 L 4.1403 7.6120 117.5281 56.2365 42.0137 177.5097 92 L 3.4046 7.0932 118.7125 52.9824 42.2004 175.1157 93 P 4.2486 0.0000 0.0000 63.0476 31.7292 177.5680 94 A 4.0704 8.7613 125.9697 55.0348 18.5119 178.4060 95 E 4.1990 8.1644 112.3210 58.5281 30.2935 177.3012 96 S 4.5151 7.7008 115.5107 57.9209 63.9850 174.5160 97 G 3.4575 8.2515 109.7610 46.2279 0.0000 172.3627 98 L 5.2689 9.2903 122.0722 53.5331 45.9910 174.5504 99 L 5.2434 9.2049 126.1034 53.0349 45.2406 175.2439 100 I 4.9035 8.3438 123.1419 59.8903 39.1034 174.7882 101 A 5.2388 9.1354 128.1715 50.7424 23.5424 174.7743 102 D 4.7224 8.5572 116.3887 52.5218 41.8663 175.6916 103 A 4.7015 8.2677 119.7655 54.1314 18.3796 177.8558 104 Y 4.5963 7.6532 111.8233 58.0239 40.0944 174.5571 105 D 4.3694 7.8321 117.1406 54.4184 43.9948 173.4722 106 A 4.9974 8.0787 122.2256 51.0423 22.0513 175.1425 107 E 4.5069 8.7337 116.9408 54.5562 33.4415 174.6476 108 I 4.4935 8.3535 123.0888 61.2933 37.3652 175.9884 109 V 4.1741 8.8373 120.6713 62.1421 33.2360 175.5418 110 R 4.3759 7.3744 118.9232 55.2273 33.1942 173.0654 *112 A 4.1430 8.5445 118.2532 50.8852 19.4764 175.5424 113 P 4.3204 0.0000 0.0000 62.7806 32.4603 175.3115 114 E 4.4115 8.5955 122.9130 55.2743 30.2355 176.7106 115 Q 4.6369 8.6965 126.8434 53.1755 28.9817 175.2548 116 K 4.1104 7.9732 117.5307 56.8446 33.2198 176.8622 117 L 4.2630 8.7341 124.1653 54.0961 43.1150 177.1290 118 A 4.1985 8.2396 125.5103 51.2901 20.5143 176.8656 119 P 4.1639 0.0000 0.0000 66.0248 31.4748 179.1159 120 A 4.0480 7.9094 118.8119 55.0162 18.3984 179.5616 121 R 3.9567 7.9213 116.8945 59.4080 30.3137 178.2088 122 R 3.9561 8.2068 118.7122 59.5504 29.9638 178.5150 123 K 3.9596 7.9817 117.6606 59.5277 32.1020 179.3923 124 V 3.6593 7.6764 117.8822 66.2007 31.3992 178.1132 125 L 4.3021 8.1976 118.6762 57.8967 41.4105 179.5042 126 I 3.6697 8.0320 119.9259 64.3136 36.9873 178.2564 127 Q 4.0285 8.2439 120.5428 59.1266 28.8376 178.5183 128 K 4.1369 8.3032 119.6417 59.2987 32.1166 179.0940 129 F 4.0079 8.7300 120.9001 61.2446 39.2745 176.6680 130 A 4.1242 8.5710 120.7526 55.8929 18.1622 179.7667 131 T 3.8174 8.1191 113.8718 66.9023 68.4920 176.4165 132 H 4.0372 8.5403 119.9665 59.1937 29.9851 177.0213 133 A 3.8527 8.2074 122.6787 55.3202 18.1902 179.5628 134 A 3.9665 8.2206 119.3004 55.0357 18.4139 180.0751 135 R 3.8061 7.9835 116.6793 59.6165 30.3420 179.4340 136 R 3.8812 7.8591 117.7306 59.0230 30.0144 178.8506 137 L 3.9074 7.9800 120.0611 58.3217 42.1422 178.8157 138 Q 3.9376 8.2326 119.2362 59.2352 28.9511 178.1804 139 A 4.0814 8.1241 121.7317 54.9864 18.1221 179.6702 140 L 3.9951 7.6238 116.5839 57.9869 41.8476 179.5575 141 R 4.2315 8.0281 116.8998 57.9016 31.3088 176.9540 142 D 4.7626 8.0709 117.9597 51.6490 41.9641 173.1555 143 P 4.7796 0.0000 0.0000 64.4715 32.0944 177.6284 144 E 4.2306 8.1312 115.7269 57.4563 29.9837 176.8298 145 G 4.0184 8.1052 108.0245 44.5708 0.0000 172.9340 146 H 4.7543 7.9885 113.3674 54.2878 31.5147 172.6280 147 G 4.1272 8.2979 109.1418 43.5743 0.0000 174.5820 148 I 3.7470 8.2452 111.9031 62.0676 37.8645 175.7218 149 F 5.0315 7.6047 123.8504 56.6278 39.5201 174.7639 150 E 4.1405 8.7339 126.4280 56.3908 30.1264 176.1474 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 5 L 8.17 4.32 0.00 1.66 1.68 0.82 0.74 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 6 D 8.52 4.59 0.00 2.85 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 7 L 8.12 4.72 0.00 1.60 1.57 0.86 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 8 Q 8.76 4.28 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 9 P 0.00 4.35 0.00 2.18 2.14 0.00 3.62 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 2.19 0.00 10 G 8.08 3.66 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 0.00 11 Q 8.03 4.06 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 12 R 7.90 3.78 0.00 2.06 1.88 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 13 L 7.74 3.91 0.00 1.84 1.69 0.98 0.64 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 14 A 8.10 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.05 3.87 0.00 1.98 2.00 0.00 3.01 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 16 G 7.86 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.09 3.53 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 18 A 8.15 4.00 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 19 R 8.02 3.86 0.00 2.07 2.02 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 20 H 8.27 4.22 0.00 3.26 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.25 3.80 0.00 1.81 1.68 0.90 0.25 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 22 R 8.30 4.59 0.00 1.96 2.12 0.00 3.15 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 23 A 7.91 4.05 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 24 H 7.53 4.71 0.00 3.03 3.26 0.00 5.72 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 25 G 8.14 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 0.00 0.00 0.00 26 F 8.05 4.50 0.00 2.81 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 27 V 8.43 5.04 2.21 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 0.72 0.00 0.00 0.97 0.00 0.00 28 S 8.45 5.17 0.00 3.87 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 29 V 8.31 4.51 1.70 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 0.25 0.00 0.00 0.41 0.00 0.00 30 E 8.66 4.86 0.00 1.84 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 2.33 2.30 0.00 31 E 8.21 3.85 0.00 2.17 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 2.28 2.26 0.00 32 F 8.26 4.37 0.00 2.97 2.98 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 33 V 7.15 4.40 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 0.79 0.00 0.00 0.84 0.00 0.00 34 P 0.00 4.02 0.00 1.19 2.23 0.00 3.79 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 1.45 1.94 0.00 35 A 6.94 4.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.48 3.93 0.00 1.78 1.89 0.00 3.24 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 37 G 8.97 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 0.00 0.00 0.00 38 L 7.61 4.97 0.00 1.56 1.59 0.93 0.64 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 39 R 8.60 4.82 0.00 1.78 1.80 0.00 3.21 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 40 V 9.11 4.48 1.97 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 0.69 0.00 0.00 1.17 0.00 0.00 41 D 9.40 4.33 0.00 2.76 2.71 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 42 V 7.12 5.05 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 1.42 0.00 0.00 0.92 0.00 0.00 *44 G 8.52 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 45 L 8.81 4.76 0.00 0.54 0.70 0.58 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.13 2.42 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 47 P 0.00 4.04 0.00 2.04 2.02 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 48 K 8.41 4.25 0.00 1.90 1.77 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.26 7.81 49 G 7.89 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 0.00 0.00 0.00 50 E 7.72 4.32 0.00 1.84 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 0.00 2.52 2.42 0.00 51 I 9.78 4.92 1.99 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 1.14 0.81 1.02 0.00 0.00 52 W 9.28 5.65 0.00 3.14 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 53 V 8.86 4.64 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 1.01 0.00 0.00 1.15 0.00 0.00 54 I 8.77 4.73 1.80 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 0.96 0.40 0.79 0.00 0.00 55 E 8.46 4.69 0.00 1.41 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 1.87 2.36 0.00 56 C 9.13 4.98 0.00 2.85 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 57 K 8.93 5.54 0.00 1.45 1.89 0.00 2.06 0.00 0.00 1.97 0.00 0.00 3.40 0.00 0.00 3.67 0.00 0.00 0.00 0.00 1.76 1.74 7.81 58 S 9.22 4.57 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.75 4.78 0.00 3.94 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 60 R 8.67 4.00 0.00 1.79 1.98 0.00 2.88 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.29 0.00 61 A 8.00 4.35 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 62 D 8.28 4.41 0.00 2.94 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.28 4.48 0.00 3.18 3.40 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 64 Q 8.54 3.72 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 65 A 8.04 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.10 4.94 0.00 3.15 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 67 A 8.25 4.18 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 68 K 7.98 4.38 0.00 1.68 1.67 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.31 7.81 69 W 8.12 4.14 0.00 3.79 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 6.71 3.13 0.00 1.39 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 71 G 7.60 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.75 4.75 0.00 3.08 3.15 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 73 L 7.75 4.05 0.00 1.72 1.67 0.79 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.99 3.98 0.00 1.59 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 2.08 1.47 0.00 75 W 8.05 4.97 0.00 3.66 3.40 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 76 C 7.71 4.97 0.00 3.42 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 77 D 9.50 4.87 0.00 2.99 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 78 R 8.08 4.80 0.00 1.13 1.02 0.00 2.60 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 79 Y 8.34 5.18 0.00 3.10 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 80 F 8.28 4.88 0.00 2.52 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 81 W 8.69 4.96 0.00 3.08 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 82 A 9.10 5.15 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 83 V 8.41 4.79 1.67 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 -0.22 0.00 0.00 0.74 0.00 0.00 84 D 8.71 5.22 0.00 2.92 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 0.00 0.00 0.00 0.00 *86 E 9.23 4.31 0.00 2.25 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 2.22 2.33 0.00 87 F 8.08 4.09 0.00 3.01 2.97 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 88 P 0.00 4.46 0.00 2.03 1.97 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.50 0.00 89 A 8.24 4.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.06 4.04 0.00 1.93 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 2.29 2.31 0.00 91 L 7.61 4.14 0.00 1.58 1.67 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.09 3.40 0.00 1.32 0.70 0.40 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.25 0.00 2.15 2.38 0.00 2.88 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 2.14 0.00 94 A 8.76 4.07 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 95 E 8.16 4.20 0.00 2.20 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 0.00 2.59 2.53 0.00 96 S 7.70 4.52 0.00 4.16 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 97 G 8.25 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 98 L 9.29 5.27 0.00 1.70 1.47 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.20 5.24 0.00 1.54 1.43 0.57 0.37 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 0.00 100 I 8.34 4.90 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 1.14 0.92 0.94 0.00 0.00 101 A 9.14 5.24 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 0.00 102 D 8.56 4.72 0.00 2.89 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 0.00 103 A 8.27 4.70 0.60 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 0.00 104 Y 7.65 4.60 0.00 3.09 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 0.00 105 D 7.83 4.37 0.00 2.68 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 0.00 106 A 8.08 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.73 4.51 0.00 1.92 1.90 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 2.27 2.23 0.00 108 I 8.35 4.49 1.88 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 1.19 0.53 1.03 0.00 0.00 109 V 8.84 4.17 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 0.61 0.00 0.00 0.95 0.00 0.00 110 R 7.37 4.38 0.00 1.82 1.74 0.00 3.19 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 *112 A 8.54 4.14 0.17 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 0.00 113 P 0.00 4.32 0.00 2.06 2.03 0.00 3.58 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 114 E 8.60 4.41 0.00 2.03 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 2.29 2.38 0.00 115 Q 8.70 4.64 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 116 K 7.97 4.11 0.00 1.76 1.80 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.52 7.81 117 L 8.73 4.26 0.00 1.83 1.59 1.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.24 4.20 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 0.00 119 P 0.00 4.16 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 120 A 7.91 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.92 3.96 0.00 1.95 2.11 0.00 3.39 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 122 R 8.21 3.96 0.00 1.94 2.12 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 123 K 7.98 3.96 0.00 2.14 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.64 7.81 124 V 7.68 3.66 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 1.15 0.00 0.00 1.01 0.00 0.00 125 L 8.20 4.30 0.00 1.89 1.87 1.30 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.03 3.67 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 0.87 0.00 0.00 127 Q 8.24 4.03 0.00 2.23 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 128 K 8.30 4.14 0.00 2.41 2.16 0.00 1.82 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.66 7.81 129 F 8.73 4.01 0.00 2.97 3.09 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 0.00 130 A 8.57 4.12 1.48 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 0.00 0.00 131 T 8.12 3.82 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 1.22 0.00 0.00 132 H 8.54 4.04 0.00 3.40 3.42 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.21 3.85 1.19 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 0.00 0.00 134 A 8.22 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 7.98 3.81 0.00 2.04 1.91 0.00 3.09 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 136 R 7.86 3.88 0.00 1.80 1.94 0.00 3.23 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 137 L 7.98 3.91 0.00 1.83 1.89 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 8.23 3.94 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 139 A 8.12 4.08 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 0.00 140 L 7.62 4.00 0.00 1.82 1.73 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.03 4.23 0.00 1.79 1.99 0.00 3.14 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 142 D 8.07 4.76 0.00 2.71 2.63 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 0.00 143 P 0.00 4.78 0.00 2.08 2.12 0.00 3.77 0.00 0.00 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 144 E 8.13 4.23 0.00 2.06 1.96 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 2.36 2.34 0.00 145 G 8.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.99 4.75 0.00 3.42 3.24 0.00 5.54 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 0.00 147 G 8.30 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 0.00 148 I 8.25 3.75 1.90 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 1.34 0.70 0.93 0.00 0.00 149 F 7.60 5.03 0.00 2.93 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 0.00 150 E 8.73 4.14 0.00 1.95 1.74 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 2.17 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.