NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.4482 8.2233 119.5636 54.3210 41.8456 176.2030 7 T 3.5517 7.4975 113.9136 63.0365 64.2648 166.2792 8 V 4.2028 8.5066 123.0323 62.4246 33.8574 175.1348 9 T 4.6569 8.9619 125.0914 61.8513 71.2120 173.2525 10 I 4.9100 8.3842 127.2457 59.9035 38.4205 175.1614 11 K 4.9206 9.0838 125.6171 54.2809 36.5403 173.9711 12 P 4.1900 0.0000 0.0000 62.6243 31.7330 176.3141 13 I 3.9531 8.0425 124.3657 61.3596 38.8824 175.2647 14 R 4.6684 8.4891 124.7919 53.8175 34.2408 176.2900 15 A 4.0132 8.5428 122.5974 55.3882 18.4004 179.3325 16 E 4.2294 8.0855 110.5749 57.9212 29.6988 177.3955 17 H 4.8788 7.9813 116.5555 56.1908 29.7838 176.5089 18 V 3.7802 7.6461 120.8405 66.1076 31.4108 177.7564 19 E 3.9598 8.1277 117.7622 59.4385 29.4826 179.0013 20 S 4.1260 8.0919 112.7243 61.4224 62.5342 175.7829 21 F 4.3098 8.6744 123.7430 61.5267 39.0090 176.6166 22 H 3.5749 8.1979 117.9116 58.8984 29.5397 177.4290 23 R 3.7607 7.8296 119.4159 59.1423 29.9300 178.7516 24 A 4.0605 7.9219 120.3823 55.2618 18.4598 179.3163 25 L 3.4669 7.6878 119.0357 58.1535 42.0303 178.8133 26 D 4.0814 8.1289 117.9935 57.0087 40.9540 177.7366 27 A 4.0070 7.8718 120.4008 55.5540 18.3526 179.5593 28 V 4.4644 7.8909 117.7836 65.7611 31.7707 178.4497 29 S 4.4919 8.3896 115.0112 61.5926 62.4814 176.4206 30 R 4.6710 7.7307 119.9661 56.3443 30.7069 176.9090 31 E 4.2702 7.8167 118.2217 55.5999 28.7354 176.7177 32 R 4.7961 7.9689 127.2503 54.5259 28.8785 176.6170 33 K 4.2686 7.6307 116.4890 56.4684 35.3580 177.1833 34 Y 4.6457 8.0127 113.1925 58.8262 40.2186 175.7243 35 L 4.6596 7.8311 116.8946 53.4703 43.7524 176.4169 36 S 4.5575 8.2263 114.8750 58.8931 63.5678 174.6905 37 F 4.9705 7.2082 115.0883 55.4266 39.4178 175.9070 38 L 4.4633 8.5418 121.8490 56.7632 42.1256 176.6042 39 E 4.6473 7.8612 113.7405 54.1046 32.1999 174.4502 40 A 3.1906 7.7804 122.7856 51.7641 18.7754 176.1690 41 P 4.2306 0.0000 0.0000 61.5495 32.3292 175.0563 42 P 4.2388 0.0000 0.0000 63.0998 33.0088 177.4657 43 L 3.7498 8.2967 121.7436 58.2814 41.9634 179.3392 44 E 3.9295 8.0960 117.9791 59.2396 29.4102 178.9751 45 A 4.0162 7.9038 120.4539 55.0294 18.5307 179.6944 46 V 3.9147 7.8044 110.5190 63.6623 31.6163 178.8935 47 R 3.8692 8.3778 119.1545 59.4070 30.0707 178.1701 48 A 4.0007 8.2096 120.7659 55.1503 18.0990 179.3846 49 F 4.1327 8.1254 117.9553 61.4603 39.6294 176.9266 50 V 3.3724 7.6449 116.3839 66.1963 31.4815 177.5032 51 L 4.1135 8.0505 118.4674 57.7233 41.5022 179.8412 52 D 4.4475 7.7714 115.2475 54.7057 41.0085 177.9953 *54 I 3.9467 7.6979 119.4254 60.8312 39.0710 177.4308 55 E 3.8501 8.6654 120.1644 58.9778 29.5029 177.2737 56 N 4.7002 8.0080 112.8953 52.0591 39.0939 174.2523 57 D 4.6069 7.7217 116.7315 55.3772 40.2768 173.4867 58 H 4.2434 7.2696 111.0823 54.4299 29.6813 173.9896 59 P 4.2960 0.0000 0.0000 63.1667 32.5086 175.4743 60 Q 4.8727 8.0658 126.2991 55.1758 32.1407 172.9710 61 F 5.3830 9.6019 125.5980 55.7375 43.0719 174.7726 62 V 5.1122 8.8093 113.9040 59.6050 35.5765 174.3302 63 A 5.0989 9.4613 126.2756 50.4753 21.1047 175.8162 64 I 4.9746 9.1367 123.7454 59.4488 40.4591 174.8103 65 A 4.9020 8.6117 127.5452 50.7132 22.6216 175.7480 66 D 4.2783 9.6856 120.8730 55.4323 38.4780 175.4604 67 G 4.1760 8.1808 107.0783 46.0948 0.0000 173.6179 68 D 4.6887 7.7216 119.9427 52.5990 41.9551 176.0763 69 V 4.0491 8.6355 124.6836 63.4412 31.8480 175.5136 70 I 4.4752 8.9549 120.2705 60.5118 39.3425 175.2346 71 G 4.4960 7.7101 107.9419 45.3609 0.0000 172.4124 72 W 5.8281 8.6871 119.7587 55.0182 32.2001 174.2003 73 C 5.0034 9.1301 119.9525 58.5002 34.6700 172.2839 74 D 5.4401 9.8078 125.4308 52.0831 43.1863 174.5052 75 I 5.0781 8.8620 121.1389 59.7024 40.4686 175.0148 76 R 4.3390 8.8005 125.3100 54.6022 30.9875 176.1246 77 R 4.3199 8.0369 124.8966 56.0653 30.7013 176.3287 78 Q 4.2527 8.5122 125.0099 56.1503 29.5779 176.3132 79 D 4.5567 8.6324 120.3664 57.0087 41.7289 178.0507 80 R 3.9931 7.8980 117.6090 56.1823 30.5768 177.6887 81 A 4.0868 8.6402 124.9943 55.4073 18.5531 178.7147 82 T 4.1928 7.8755 103.5848 63.3762 69.2161 174.9334 83 R 4.5365 8.2272 119.4549 55.7803 32.1319 176.3678 84 A 4.4153 8.0836 120.9273 54.1245 18.9396 178.0763 85 H 4.7457 8.2487 110.7709 56.5395 29.9121 174.6451 86 C 5.3472 8.1689 117.6569 58.1683 31.5458 173.1140 87 G 4.4855 9.0694 108.0043 44.8439 0.0000 171.3609 88 T 5.1211 8.8874 118.2190 61.5327 70.6456 173.5576 89 L 4.9529 8.6959 129.5828 54.2270 43.3912 175.8452 90 G 4.2406 9.1392 111.9594 44.5577 0.0000 171.7539 *92 G 3.0581 8.4473 108.0223 44.9295 0.0000 172.2843 93 I 4.7540 7.4606 120.0895 59.1735 41.2572 175.3924 94 L 4.2636 9.1675 125.8036 54.3117 42.3771 176.3614 95 P 4.1814 0.0000 0.0000 65.8843 31.4088 178.6342 96 A 3.8767 8.1567 119.0370 54.6748 18.2194 177.4466 97 Y 4.4767 8.0303 111.0680 57.8132 38.2623 176.1299 98 R 4.1790 7.6745 120.4357 56.2098 30.9945 176.0889 99 N 4.3750 8.7049 112.9547 54.4361 35.8088 174.9434 100 K 4.5128 7.3082 115.8878 56.1762 33.3514 178.0959 101 G 3.9512 8.4508 105.6632 46.2466 0.0000 176.0065 102 L 4.0241 7.6284 122.5948 57.9489 41.8303 178.9706 103 G 3.6373 8.0819 103.7202 47.8561 0.0000 174.7528 104 A 4.1643 7.8697 121.4095 54.9367 18.7482 179.3722 105 R 4.0436 7.5754 115.8513 59.4383 30.1345 179.8712 106 L 3.6523 7.7929 115.2868 56.0378 41.7292 179.1971 *108 R 4.3001 7.9243 120.3837 56.4294 32.3204 178.1525 109 R 3.7144 7.8063 116.7577 59.4278 29.7824 179.3023 110 T 4.1166 7.9116 115.5705 66.5864 68.4864 176.8887 111 L 4.2094 7.9229 120.4552 57.9375 41.7215 178.9838 112 D 4.2889 8.1474 118.6366 57.4974 40.7079 178.9067 113 A 4.0770 8.2519 120.8346 55.0036 18.4649 179.5766 114 A 4.0512 8.3512 119.8558 55.4104 18.5650 179.4253 115 H 3.6765 8.4877 117.2799 59.1255 29.6213 177.0083 116 E 3.8140 8.0200 120.1122 59.3720 29.5169 178.0334 117 F 4.0953 8.2729 119.8866 60.4866 39.3474 175.8019 118 G 4.2002 7.7959 104.0198 45.0760 0.0000 173.8482 119 L 4.4590 7.9449 119.2164 55.1742 42.4868 176.4630 120 H 4.8402 9.6744 121.9405 58.0181 31.5921 175.1486 121 R 4.8591 7.8574 117.8899 54.5767 33.6214 173.6824 122 I 5.0372 8.3391 127.1092 59.4020 39.9792 174.5031 123 E 5.2527 9.4265 124.7353 54.5824 33.0898 174.5892 124 L 4.9187 8.1084 119.1354 54.6290 44.2920 174.5059 125 S 5.1313 8.4168 115.1239 56.9193 66.0873 174.1095 126 V 4.5873 8.6289 121.6005 60.3291 35.0478 173.8090 127 H 4.7820 8.9660 120.4841 55.9842 29.2188 176.5470 128 A 4.0910 9.2394 126.1227 55.0636 18.3630 178.3426 129 D 4.6276 8.0131 112.6365 54.1269 40.5343 176.9416 130 N 4.7163 8.3205 121.6913 52.3252 37.5574 174.8231 131 A 3.9921 8.1078 124.7940 54.7150 19.0061 179.0840 132 R 3.7032 7.9503 116.4370 59.6286 30.2271 178.4961 133 A 3.4869 7.6443 119.1674 54.7503 18.2033 179.5605 134 I 3.6394 7.6185 118.0917 64.5738 37.2859 178.1115 135 A 3.9508 8.1245 121.6971 55.5443 18.1433 179.5260 136 L 3.8644 7.7368 118.3749 58.2527 42.0736 178.8323 137 Y 4.4320 7.5935 116.8891 60.9823 37.6633 178.0029 138 E 4.2272 8.4644 119.6514 59.4165 29.4224 179.1464 139 K 3.8897 7.8770 118.0356 59.9222 32.3198 178.6254 140 I 4.0114 7.7492 118.4958 63.0286 37.0723 176.3565 141 G 3.8625 7.5965 106.1826 44.8363 0.0000 174.0286 142 F 4.3486 8.5521 119.4641 57.5723 39.4201 174.5936 143 A 4.7996 8.3832 124.7385 50.3680 20.8509 176.5859 144 H 4.4302 8.8765 118.7471 56.0892 29.1718 175.3838 145 E 4.5008 10.5380 121.4984 55.6738 30.9414 176.1962 146 G 4.1520 6.9672 106.0712 43.5854 0.0000 171.4592 147 R 4.9816 7.9755 119.5710 54.4196 32.9875 174.5070 148 A 4.5962 9.0306 129.0083 50.5439 20.2653 176.0355 149 R 4.5610 8.5488 121.8264 56.8435 31.8618 176.8770 150 D 4.5784 9.3554 122.1307 55.1638 39.1244 175.2634 151 A 4.1409 7.5356 124.2328 54.1774 18.8618 179.1369 152 V 4.4015 7.9806 115.4913 60.9137 34.1946 174.0809 153 S 5.0182 8.6591 120.6343 56.4058 64.3945 173.0782 154 I 4.4740 8.2566 127.8880 60.9826 40.6566 175.2811 155 D 4.3983 9.8590 124.5651 55.3930 38.2489 174.7899 156 G 3.8265 8.2005 105.2266 45.4410 0.0000 172.9863 157 H 4.9275 7.6623 117.6098 53.7946 30.8394 173.2972 158 Y 4.8873 8.4086 121.9930 58.1949 38.7989 175.2277 159 I 4.7382 9.1230 123.2011 59.6228 41.5439 174.8943 160 D 5.0611 8.7059 125.1720 54.1158 42.7656 174.9570 161 S 5.1155 8.7508 115.3408 56.5694 65.4356 172.7040 162 L 4.9077 9.2770 127.6982 54.0763 43.0413 176.0640 163 N 5.3798 8.9830 120.8608 51.7297 40.7623 174.1431 *165 A 4.7334 8.2812 121.7055 52.0294 20.6061 175.3548 166 I 4.4088 8.1052 120.2363 58.9093 41.4182 174.1713 167 I 4.5078 7.7624 128.4251 59.1907 39.0137 175.3174 168 F 4.3698 8.2981 127.3217 55.9779 39.4092 176.1118 169 G 3.7229 8.7174 111.7505 46.4148 0.0000 171.8988 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 6 D 8.22 4.45 0.00 2.62 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 7 T 7.50 3.55 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 1.23 0.00 0.00 8 V 8.51 4.20 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 0.71 0.00 0.00 0.97 0.00 0.00 9 T 8.96 4.66 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 1.23 0.00 0.00 10 I 8.38 4.91 1.85 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 1.40 0.52 0.87 0.00 0.00 11 K 9.08 4.92 0.00 1.84 1.91 0.00 1.43 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.44 7.81 12 P 0.00 4.19 0.00 1.83 1.70 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 13 I 8.04 3.95 1.69 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.77 0.00 0.00 14 R 8.49 4.67 0.00 1.63 1.65 0.00 3.15 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 15 A 8.54 4.01 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 16 E 8.09 4.23 0.00 2.04 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 2.11 2.07 0.00 17 H 7.98 4.88 0.00 3.39 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.65 3.78 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 1.09 0.00 0.00 1.05 0.00 0.00 19 E 8.13 3.96 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 20 S 8.09 4.13 0.00 3.94 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.67 4.31 0.00 3.06 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 22 H 8.20 3.57 0.00 3.10 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.83 3.76 0.00 2.06 1.95 0.00 3.20 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 1.65 1.92 0.00 24 A 7.92 4.06 1.56 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 25 L 7.69 3.47 0.00 0.53 1.16 0.79 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.13 4.08 0.00 2.56 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 27 A 7.87 4.01 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 28 V 7.89 4.46 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 1.61 0.00 0.00 1.15 0.00 0.00 29 S 8.39 4.49 0.00 3.95 4.18 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 0.00 0.00 0.00 30 R 7.73 4.67 0.00 1.93 1.99 0.00 3.09 0.00 0.00 3.06 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 31 E 7.82 4.27 0.00 2.34 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 0.00 2.41 2.56 0.00 32 R 7.97 4.80 0.00 1.77 1.91 0.00 3.18 0.00 0.00 4.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 33 K 7.63 4.27 0.00 0.79 0.74 0.00 1.39 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.04 1.20 7.81 34 Y 8.01 4.65 0.00 2.98 2.87 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 35 L 7.83 4.66 0.00 1.79 1.64 1.36 0.99 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 36 S 8.23 4.56 0.00 3.68 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 7.21 4.97 0.00 3.14 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 38 L 8.54 4.46 0.00 1.77 1.77 0.92 0.77 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 39 E 7.86 4.65 0.00 1.90 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 2.14 2.21 0.00 40 A 7.78 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.23 0.00 1.88 1.89 0.00 3.16 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 42 P 0.00 4.24 0.00 2.10 1.95 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 43 L 8.30 3.75 0.00 1.39 1.51 0.84 0.86 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 44 E 8.10 3.93 0.00 1.99 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 0.00 2.37 2.30 0.00 45 A 7.90 4.02 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 46 V 7.80 3.91 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 0.64 0.00 0.00 0.92 0.00 0.00 47 R 8.38 3.87 0.00 1.87 2.06 0.00 3.11 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 1.66 0.00 48 A 8.21 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.13 4.13 0.00 3.06 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 0.00 50 V 7.64 3.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.20 0.00 0.00 51 L 8.05 4.11 0.00 1.70 1.68 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.77 4.45 0.00 2.95 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 *54 I 7.70 3.95 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.85 0.00 0.00 55 E 8.67 3.85 0.00 1.88 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 2.30 2.28 0.00 56 N 8.01 4.70 0.00 2.56 2.66 0.00 0.00 6.73 7.83 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 57 D 7.72 4.61 0.00 2.82 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 58 H 7.27 4.24 0.00 3.12 3.22 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.30 0.00 2.15 2.18 0.00 3.64 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 60 Q 8.07 4.87 0.00 1.94 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.82 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 61 F 9.60 5.38 0.00 3.02 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 V 8.81 5.11 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 0.68 0.00 0.00 0.85 0.00 0.00 63 A 9.46 5.10 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 64 I 9.14 4.97 1.97 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 1.15 0.65 0.91 0.00 0.00 65 A 8.61 4.90 1.12 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 0.00 0.00 66 D 9.69 4.28 0.00 2.86 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 67 G 8.18 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 76 R 8.80 4.34 0.00 1.91 2.19 0.00 3.27 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 77 R 8.04 4.32 0.00 1.37 1.60 0.00 3.36 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 78 Q 8.51 4.25 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 79 D 8.63 4.56 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.90 3.99 0.00 1.89 1.88 0.00 3.14 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 81 A 8.64 4.09 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 82 T 7.88 4.19 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 1.23 0.00 0.00 83 R 8.23 4.54 0.00 1.85 1.88 0.00 3.13 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 84 A 8.08 4.42 1.34 0.00 0.00 0.00 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1.81 2.00 1.09 1.31 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 0.00 112 D 8.15 4.29 0.00 2.90 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 0.00 113 A 8.25 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.35 4.05 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 0.00 115 H 8.49 3.68 0.00 1.77 2.85 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.02 3.81 0.00 1.94 2.22 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 2.34 2.38 0.00 117 F 8.27 4.10 0.00 3.22 3.33 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 0.00 118 G 7.80 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.94 4.46 0.00 1.99 1.89 0.85 0.96 0.00 0.00 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0.00 0.00 136 L 7.74 3.86 0.00 1.58 1.24 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 7.59 4.43 0.00 3.11 2.57 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 0.00 138 E 8.46 4.23 0.00 2.19 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 2.42 2.50 0.00 139 K 7.88 3.89 0.00 1.80 2.13 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 140 I 7.75 4.01 2.36 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.12 1.11 0.00 0.00 141 G 7.60 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 142 F 8.55 4.35 0.00 2.97 2.96 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 0.00 143 A 8.38 4.80 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 0.00 144 H 8.88 4.43 0.00 3.09 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 10.54 4.50 0.00 1.89 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 2.23 2.22 0.00 146 G 6.97 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 0.00 147 R 7.98 4.98 0.00 1.78 1.77 0.00 3.23 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 1.50 1.61 0.00 148 A 9.03 4.60 1.25 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 0.00 149 R 8.55 4.56 0.00 1.74 1.81 0.00 3.25 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 150 D 9.36 4.58 0.00 2.56 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 0.00 151 A 7.54 4.14 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 0.00 152 V 7.98 4.40 1.98 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 0.70 0.00 0.00 0.91 0.00 0.00 153 S 8.66 5.02 0.00 3.67 3.61 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 0.00 154 I 8.26 4.47 1.82 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 1.28 0.60 0.86 0.00 0.00 155 D 9.86 4.40 0.00 2.62 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 0.00 156 G 8.20 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 0.00 0.00 0.00 157 H 7.66 4.93 0.00 3.14 3.16 0.00 5.64 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 0.00 158 Y 8.41 4.89 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 9.12 4.74 1.79 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 0.87 0.88 0.00 0.00 160 D 8.71 5.06 0.00 2.62 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 0.00 161 S 8.75 5.12 0.00 3.89 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 0.00 162 L 9.28 4.91 0.00 1.73 1.65 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 163 N 8.98 5.38 0.00 2.68 2.72 0.00 0.00 6.72 7.91 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 *165 A 8.28 4.73 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 0.00 166 I 8.11 4.41 0.56 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.15 -0.02 0.00 0.00 167 I 7.76 4.51 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.59 0.67 0.00 0.00 168 F 8.30 4.37 0.00 2.91 2.60 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 0.00 169 G 8.72 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.