NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 2.6148 8.3544 109.6780 45.4176 0.0000 172.9141 2 H 4.3305 8.2101 121.1646 52.1186 32.8714 170.9667 *4 S 4.3373 8.4707 113.6749 58.1123 66.0590 173.8422 5 R 3.9016 8.3088 120.9524 59.5248 29.7620 177.9285 6 N 4.3127 8.1980 115.7944 56.4716 38.5733 177.1734 7 L 4.0503 8.0570 120.0648 57.8170 41.7788 179.3490 8 L 4.0088 8.3866 119.1226 57.9434 41.3516 179.4934 9 A 4.0292 8.2744 119.7653 55.2461 18.3972 179.4656 10 I 3.8334 7.6087 117.0661 64.5570 37.5886 178.5975 11 V 3.9669 8.1299 111.6393 62.3424 31.5480 177.6745 12 H 3.9807 8.1751 119.4282 59.2043 29.6342 174.6383 13 P 4.1499 0.0000 0.0000 65.7854 31.0052 178.6614 14 I 3.6654 7.7650 118.4294 64.3094 36.8290 178.4305 15 L 3.9096 7.7112 118.0192 57.7056 41.5833 179.1519 16 R 3.9417 7.8289 117.6399 59.4679 30.3765 177.8231 17 N 4.4619 8.5322 116.6154 56.1727 38.4121 177.9166 18 L 3.8873 7.8130 118.8525 55.5943 41.5275 178.4085 *20 E 4.1876 8.1172 118.0201 55.9670 31.4549 177.9779 21 E 3.7425 8.1534 118.0897 59.1703 29.7433 178.1883 22 S 3.6116 8.0241 112.3553 58.9449 63.2486 175.2203 23 G 3.9610 7.6340 107.3907 45.8102 0.0000 172.5275 24 E 4.9359 7.8652 118.2004 53.8742 34.1856 175.4671 25 T 4.1512 8.5291 117.7192 64.2978 69.7421 173.2509 26 V 4.7797 8.8508 126.1250 61.4764 34.0212 174.0275 27 N 5.7513 9.0624 125.9166 51.0160 42.5339 172.9655 *29 A 4.5777 8.4505 120.7808 53.0451 20.5294 176.6946 30 V 4.8775 8.7223 113.4765 59.4206 35.3364 174.7036 31 L 4.1860 7.9036 125.7309 53.7867 42.8069 175.7422 32 D 4.3657 8.8216 127.5978 54.0818 41.2467 176.9969 33 Q 3.8327 8.6483 126.4147 58.9055 29.2938 178.4700 34 S 4.2119 8.2516 113.1727 61.4646 62.9431 174.8191 35 D 4.6373 8.7510 116.4872 53.5825 41.7626 176.0771 36 H 3.9340 7.8334 115.5743 56.9689 26.4481 173.0051 37 E 4.8724 7.3944 118.2648 54.3934 35.1317 176.0457 38 A 5.0595 8.1253 122.2249 50.7067 21.1798 175.7583 39 I 4.8103 8.6057 124.3153 59.8993 39.6209 175.6989 40 I 4.2708 8.8297 129.7187 61.5665 37.3875 176.5535 41 I 4.4577 8.5440 119.2564 60.8395 39.2496 174.5609 42 D 4.6861 7.7457 120.9902 53.5671 44.1968 172.8565 43 Q 4.8262 8.0686 120.6815 55.1226 32.1588 173.3624 44 V 4.3431 8.6578 126.4993 61.0212 33.6384 174.6881 45 Q 4.5588 8.6585 127.5576 55.7205 29.5185 176.3533 46 C 4.4364 8.3708 117.9819 58.2183 30.7053 173.4867 47 T 4.3640 8.0343 107.7788 61.6000 68.9470 174.8305 48 H 4.2913 7.8774 119.5184 56.1520 29.1714 175.7134 49 L 4.0777 8.5505 119.7560 56.3077 42.9516 177.6285 *51 R 4.2193 8.1458 116.6795 56.1027 30.2972 177.4697 *53 S 4.1979 9.0446 106.3547 57.6110 64.3852 174.1793 54 A 4.1548 7.6755 122.2682 52.0893 19.5390 176.1581 55 P 4.4835 0.0000 0.0000 62.1174 32.2508 176.1261 56 I 3.9390 8.0513 121.0287 63.1379 37.3655 176.8324 57 G 3.9677 9.0178 113.9451 44.8097 0.0000 174.0073 58 G 3.8497 8.0194 107.4669 46.3016 0.0000 172.7866 59 K 5.1870 8.5504 120.6781 54.3182 33.3374 175.4892 60 L 4.6075 8.8485 125.1874 52.0121 43.3271 175.5016 61 P 4.6838 0.0000 0.0000 62.3741 30.4975 177.1536 *63 H 4.7690 8.6920 111.6326 55.3881 30.1759 173.8027 64 A 4.6287 7.6958 121.7496 51.7819 20.1711 175.3966 65 S 4.7936 7.7383 112.5561 56.9500 66.6092 175.3155 66 G 3.5407 8.7601 106.6856 47.9610 0.0000 175.7435 67 A 3.8417 7.9409 123.6446 54.5373 18.4190 179.3080 68 G 3.7979 8.0508 104.1505 48.4887 0.0000 176.0029 69 K 4.0000 8.1703 121.0813 58.4994 31.8178 179.3361 70 A 3.9245 7.9381 120.7799 55.0830 18.5239 179.4885 71 F 4.4715 7.9379 116.0533 60.8079 38.9619 177.6315 72 L 4.0303 8.2641 118.5292 58.1242 41.2994 179.5268 73 A 4.0043 8.1545 119.1982 55.1284 18.2734 179.0800 74 Q 4.2408 7.9904 114.9807 56.8715 29.2869 176.4847 75 L 4.4390 7.3493 120.3146 53.5887 42.8952 177.4852 76 S 4.3696 8.6618 116.5319 58.3821 64.8645 175.3875 77 E 3.9883 8.7694 122.9038 59.4658 29.1200 179.5151 78 E 3.9495 8.1258 117.2170 59.6756 29.4804 179.0601 79 Q 3.9643 7.8385 118.0973 58.5821 28.8397 178.8524 80 V 3.7575 7.7879 118.2387 66.2307 31.6537 177.9469 81 T 4.1904 7.9857 115.0785 65.0985 68.3180 174.3312 82 K 4.0323 7.9076 122.7882 55.4801 31.8462 175.8188 *87 K 4.2884 8.6164 128.1119 56.0181 33.8449 176.3598 88 G 3.8238 7.8953 106.6035 44.7392 0.0000 172.4585 89 L 4.4326 8.0946 123.4828 52.7203 43.2604 176.0349 90 H 3.9625 8.6353 123.4216 55.8938 30.3525 174.7581 91 A 4.4116 7.8146 129.7342 50.8781 18.0929 176.4429 92 Y 4.2203 8.5228 120.5164 61.5242 38.3486 176.4435 93 T 4.8370 8.5639 108.7203 59.5959 72.2061 174.2209 94 H 4.1300 8.9614 116.3260 58.2516 28.3497 176.2615 95 A 4.1230 7.4251 121.3152 53.0454 18.9677 177.5812 96 T 3.7898 7.3037 113.0871 63.8976 68.6693 174.4348 97 L 4.1966 8.4896 126.5670 55.1153 40.2401 176.7222 98 V 4.0717 8.0226 116.5525 61.6016 33.1220 177.0415 99 S 4.4240 7.8812 115.2383 56.8679 63.2208 172.4724 100 P 4.2191 0.0000 0.0000 65.5383 31.1802 178.5772 101 V 3.5494 7.7858 116.5899 66.5529 31.5164 177.6865 102 H 4.2083 7.9874 115.3647 58.6276 28.5133 177.6486 103 L 3.9518 8.1954 122.2577 58.2575 42.0380 179.2002 104 K 3.9998 8.1976 118.4275 59.5412 31.9399 179.2517 105 E 4.0014 8.1078 118.5079 59.2499 29.2898 178.8262 106 D 4.3292 8.0746 117.9968 57.3988 41.3092 178.3663 107 L 3.9763 8.1744 119.2823 57.4082 41.6161 179.3584 108 A 3.9546 8.0097 120.9072 55.4410 18.4104 179.7925 109 Q 3.9507 8.1307 116.5122 59.1117 28.7199 178.9729 110 T 3.9148 7.9417 118.3237 66.1598 68.3227 176.6429 111 R 3.9365 7.6433 118.3032 59.1965 30.1513 178.8292 112 K 4.0993 7.6841 118.0707 59.3291 32.3880 178.7077 113 R 4.1507 8.2832 114.6801 57.1278 29.7382 177.4799 114 G 4.0831 9.7227 108.0409 45.0794 0.0000 172.5097 115 Y 5.1278 6.9357 116.1608 55.7127 41.2695 174.4173 116 S 4.4733 9.2299 117.2824 58.2111 65.4075 173.1257 117 F 5.4203 8.4442 122.6550 57.2573 41.8940 173.0689 118 D 4.5160 9.4596 128.3408 53.3229 42.1358 174.6864 119 D 4.6991 8.7755 128.2413 52.5719 40.2869 175.0871 120 E 4.0979 8.6102 121.9792 56.9181 27.9917 175.8815 121 E 4.2074 8.4729 119.7556 58.0336 30.2509 177.3372 122 H 4.3158 8.3579 116.8871 57.1715 30.9851 174.8231 123 A 4.6856 7.3716 120.4979 49.9297 22.0377 175.1869 124 L 4.1447 8.4536 122.1436 56.2820 42.3641 178.1735 125 G 3.9043 10.0634 110.9508 45.3335 0.0000 172.1783 126 L 5.0873 7.7146 122.7498 53.2988 44.1612 175.2967 127 R 5.3429 9.0493 124.9810 54.7922 33.7649 174.6115 128 C 5.4829 8.9935 118.5709 58.2242 33.1639 172.9758 129 L 5.8100 9.2641 120.8936 52.1910 44.9316 175.5407 130 A 5.6821 8.7632 123.3082 50.4588 23.3199 174.6634 131 A 4.8960 8.1249 119.1150 50.5893 22.8958 175.7081 132 C 4.3721 8.5389 117.6058 59.4437 29.5788 173.0804 133 I 4.3908 8.0162 122.1966 59.4906 39.4361 175.0035 134 F 5.2720 8.7785 124.4729 55.6348 42.0556 175.6907 135 D 4.9616 9.0016 123.9234 52.2980 41.4108 176.5829 136 E 4.1754 8.9108 115.8373 59.2346 29.6605 176.9577 137 H 4.8323 8.3819 115.3854 55.0419 28.9225 174.6857 138 R 4.0307 7.8987 116.4276 57.1557 28.2530 175.6621 139 E 4.6951 8.7266 117.7908 54.3720 30.6378 174.1573 140 P 4.3466 0.0000 0.0000 62.5149 32.1998 175.9399 141 F 4.7246 8.7021 116.5690 56.3401 40.0585 174.2277 142 A 5.3341 6.6498 120.6747 50.0321 22.9176 174.4138 143 A 4.6581 8.8581 119.7749 50.4211 22.6016 175.6139 144 I 4.6888 8.4858 121.3547 59.1696 40.6197 174.6414 145 S 5.2186 9.0118 122.8807 56.6691 66.8624 172.5671 146 I 4.9197 8.7223 122.7314 59.9455 39.4265 174.9946 147 S 5.0389 8.7247 122.3114 57.2074 66.7775 173.6630 148 G 4.2234 8.9960 110.8121 45.3848 0.0000 170.4262 149 P 5.0290 0.0000 0.0000 62.3710 32.0421 177.4171 150 I 3.7533 8.6986 123.1902 64.4570 37.8913 177.1314 151 S 4.2735 8.3971 117.2999 61.3563 62.8234 175.3441 152 R 4.3223 7.8463 116.2012 57.6396 31.3225 177.3147 153 I 3.6628 7.6420 120.4657 60.0578 35.5212 175.3093 154 T 4.3313 7.1622 114.6358 60.0497 70.3646 176.4783 155 D 4.2916 8.6248 121.7022 57.5908 40.8101 178.4836 156 D 4.5494 7.9943 115.6594 54.6578 39.7348 177.1119 157 R 4.3992 7.8559 118.8684 56.2157 31.4054 178.0436 158 V 3.2001 7.0834 117.9020 66.0788 31.4187 178.0145 159 T 3.7179 7.6461 114.7674 66.5325 68.2163 175.7536 160 E 3.8811 8.1489 119.2353 59.6323 29.5892 178.3665 161 F 4.1493 8.5895 116.4643 60.5068 39.3030 177.2952 162 G 2.7203 7.9076 105.3907 47.3758 0.0000 176.9483 163 A 3.9061 7.6939 122.2714 51.8600 18.3549 179.5980 *165 V 3.9530 7.8533 122.7280 63.3275 33.8236 177.8574 166 I 3.6959 7.7987 121.5183 64.1374 36.9437 178.2076 167 K 3.9001 8.0003 120.1745 59.3851 32.0457 178.5184 168 A 3.9244 7.9674 120.3072 55.2857 18.2479 179.3045 169 A 3.9134 8.0972 119.1456 55.1914 18.3318 179.9641 170 K 3.9800 8.2410 117.0368 59.7771 32.1011 179.4518 171 E 3.9986 8.1233 118.7813 59.1315 29.3363 179.5959 172 V 3.5970 8.0355 118.3512 66.3968 31.6941 177.7887 173 T 4.0188 8.1682 115.8198 67.0795 68.2448 175.9946 174 L 4.0418 8.4031 120.3610 58.0507 41.5244 179.6991 175 A 4.0442 8.0406 119.2057 55.1419 18.3774 178.7306 176 Y 4.2930 8.5462 117.6767 60.9327 39.0301 177.9863 177 G 4.1354 8.2478 105.3680 47.9614 0.0000 174.9168 178 G 3.9236 7.4009 104.7195 44.0212 0.0000 173.3615 *180 R 3.1088 7.5587 119.0190 56.6579 30.7656 176.2026 181 G 3.8900 8.6728 111.1363 45.3786 0.0000 173.2298 182 S 4.2490 7.7939 119.9437 58.9310 62.7794 174.0531 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 1 G 8.35 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 H 8.21 4.33 0.00 3.01 3.16 0.00 5.98 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 S 8.47 4.34 0.00 4.17 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 5 R 8.31 3.90 0.00 1.92 1.99 0.00 3.20 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 6 N 8.20 4.31 0.00 2.85 2.87 0.00 0.00 7.14 6.74 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 7 L 8.06 4.05 0.00 2.05 1.89 1.11 0.42 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 8 L 8.39 4.01 0.00 1.87 1.77 0.99 0.68 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 9 A 8.27 4.03 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 10 I 7.61 3.83 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 0.95 0.00 0.00 11 V 8.13 3.97 2.12 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 0.86 0.00 0.00 1.06 0.00 0.00 12 H 8.18 3.98 0.00 3.41 3.50 0.00 5.80 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 13 P 0.00 4.15 0.00 2.19 2.10 0.00 3.82 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 14 I 7.77 3.67 1.99 0.00 0.00 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 1.69 0.57 0.92 0.00 0.00 15 L 7.71 3.91 0.00 1.70 1.68 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.83 3.94 0.00 1.56 1.95 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 17 N 8.53 4.46 0.00 2.84 2.81 0.00 0.00 6.71 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 18 L 7.81 3.89 0.00 1.75 1.70 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.12 4.19 0.00 2.26 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 0.00 2.27 2.34 0.00 21 E 8.15 3.74 0.00 1.86 1.83 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 2.18 2.17 0.00 22 S 8.02 3.61 0.00 3.09 3.49 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 23 G 7.63 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.87 4.94 0.00 1.94 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 2.65 2.65 0.00 25 T 8.53 4.15 4.40 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 1.22 0.00 0.00 26 V 8.85 4.78 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 1.05 0.00 0.00 0.91 0.00 0.00 27 N 9.06 5.75 0.00 2.60 2.66 0.00 0.00 6.73 7.07 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 *29 A 8.45 4.58 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 30 V 8.72 4.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 31 L 7.90 4.19 0.00 0.27 0.83 0.61 0.78 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 32 D 8.82 4.37 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.65 3.83 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 34 S 8.25 4.21 0.00 3.94 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 35 D 8.75 4.64 0.00 2.58 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 36 H 7.83 3.93 0.00 3.25 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.39 4.87 0.00 1.84 1.79 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 2.29 2.33 0.00 38 A 8.13 5.06 1.51 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 0.00 0.00 39 I 8.61 4.81 1.87 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 1.23 0.67 0.92 0.00 0.00 40 I 8.83 4.27 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 0.92 0.00 0.00 41 I 8.54 4.46 1.89 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 1.25 0.68 0.98 0.00 0.00 42 D 7.75 4.69 0.00 2.67 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 43 Q 8.07 4.83 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.61 0.00 0.00 0.00 0.00 0.00 2.23 2.59 0.00 44 V 8.66 4.34 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 1.01 0.00 0.00 0.93 0.00 0.00 45 Q 8.66 4.56 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 46 C 8.37 4.44 0.00 3.14 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 47 T 8.03 4.36 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 48 H 7.88 4.29 0.00 3.16 3.28 0.00 5.91 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.55 4.08 0.00 1.65 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *51 R 8.15 4.22 0.00 1.97 1.55 0.00 3.15 0.00 0.00 3.50 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 *53 S 9.04 4.20 0.00 4.03 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 54 A 7.68 4.15 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 55 P 0.00 4.48 0.00 2.23 2.19 0.00 3.71 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 2.07 1.99 0.00 56 I 8.05 3.94 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.97 0.00 0.00 57 G 9.02 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 58 G 8.02 3.85 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 0.00 0.00 0.00 59 K 8.55 5.19 0.00 1.64 1.72 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.44 7.81 60 L 8.85 4.61 0.00 1.54 1.52 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.68 0.00 2.12 2.17 0.00 3.24 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 1.56 0.90 0.00 *63 H 8.69 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0.00 0.00 0.00 2.40 2.38 0.00 80 V 7.79 3.76 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 0.84 0.00 0.00 0.98 0.00 0.00 81 T 7.99 4.19 4.40 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 1.21 0.00 0.00 82 K 7.91 4.03 0.00 1.85 1.73 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 *87 K 8.62 4.29 0.00 1.77 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 88 G 7.90 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 0.00 0.00 0.00 89 L 8.09 4.43 0.00 1.50 1.31 0.88 1.06 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 90 H 8.64 3.96 0.00 2.94 2.94 0.00 5.91 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 A 7.81 4.41 1.18 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 0.00 0.00 92 Y 8.52 4.22 0.00 3.29 3.30 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 93 T 8.56 4.84 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 1.31 0.00 0.00 94 H 8.96 4.13 0.00 3.29 3.48 0.00 5.52 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 95 A 7.43 4.12 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 96 T 7.30 3.79 4.29 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 1.44 0.00 0.00 97 L 8.49 4.20 0.00 1.67 1.69 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.02 4.07 2.05 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 0.74 0.00 0.00 0.92 0.00 0.00 99 S 7.88 4.42 0.00 3.94 3.85 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 0.00 100 P 0.00 4.22 0.00 2.19 2.09 0.00 3.66 0.00 0.00 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0.00 0.00 117 F 8.44 5.42 0.00 3.03 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 0.00 118 D 9.46 4.52 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.78 4.70 0.00 1.58 2.15 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 0.00 120 E 8.61 4.10 0.00 2.09 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 2.22 2.21 0.00 121 E 8.47 4.21 0.00 2.00 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 2.44 2.28 0.00 122 H 8.36 4.32 0.00 3.15 3.15 0.00 5.90 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 0.00 123 A 7.37 4.69 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.45 4.14 0.00 1.66 1.64 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 125 G 10.06 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 0.00 126 L 7.71 5.09 0.00 1.77 1.69 1.00 0.84 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 0.00 127 R 9.05 5.34 0.00 1.83 1.98 0.00 3.26 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.62 0.00 128 C 8.99 5.48 0.00 2.88 2.86 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 0.00 129 L 9.26 5.81 0.00 1.67 1.53 1.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.76 5.68 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 0.00 131 A 8.12 4.90 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 0.00 132 C 8.54 4.37 0.00 2.46 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 0.00 0.00 0.00 0.00 133 I 8.02 4.39 1.25 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 1.09 0.52 0.67 0.00 0.00 134 F 8.78 5.27 0.00 3.11 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 0.00 135 D 9.00 4.96 0.00 2.83 2.40 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 0.00 136 E 8.91 4.18 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.18 0.00 137 H 8.38 4.83 0.00 3.35 3.37 0.00 5.87 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.90 4.03 0.00 2.01 1.92 0.00 3.32 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 139 E 8.73 4.70 0.00 2.49 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 2.36 0.00 140 P 0.00 4.35 0.00 2.22 1.88 0.00 3.88 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 141 F 8.70 4.72 0.00 3.23 3.19 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 0.00 142 A 6.65 5.33 0.61 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 0.00 0.00 143 A 8.86 4.66 0.45 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 0.00 144 I 8.49 4.69 1.78 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 1.22 1.56 0.83 0.00 0.00 145 S 9.01 5.22 0.00 3.93 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 0.00 146 I 8.72 4.92 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.97 0.00 0.00 147 S 8.72 5.04 0.00 3.71 3.73 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 0.00 148 G 9.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 5.03 0.00 2.11 2.18 0.00 3.90 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 150 I 8.70 3.75 1.88 0.00 0.00 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 1.23 0.83 0.95 0.00 0.00 151 S 8.40 4.27 0.00 3.87 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 0.00 152 R 7.85 4.32 0.00 1.81 1.98 0.00 3.00 0.00 0.00 3.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 153 I 7.64 3.66 1.80 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 0.53 0.00 0.00 154 T 7.16 4.33 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 1.21 0.00 0.00 155 D 8.62 4.29 0.00 2.78 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 0.00 156 D 7.99 4.55 0.00 2.75 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 0.00 157 R 7.86 4.40 0.00 1.43 1.42 0.00 3.09 0.00 0.00 2.90 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 158 V 7.08 3.20 1.82 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 0.24 0.00 0.00 0.65 0.00 0.00 159 T 7.65 3.72 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 160 E 8.15 3.88 0.00 1.97 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 2.33 2.44 0.00 161 F 8.59 4.15 0.00 2.97 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 0.00 162 G 7.91 2.72 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 0.00 163 A 7.69 3.91 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 *165 V 7.85 3.95 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 0.82 0.00 0.00 0.90 0.00 0.00 166 I 7.80 3.70 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.91 0.94 0.00 0.00 167 K 8.00 3.90 0.00 1.89 1.76 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.44 7.81 168 A 7.97 3.92 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 0.00 169 A 8.10 3.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.24 3.98 0.00 2.01 1.90 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.64 7.81 171 E 8.12 4.00 0.00 2.21 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 2.34 2.55 0.00 172 V 8.04 3.60 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 0.97 0.00 0.00 0.98 0.00 0.00 173 T 8.17 4.02 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 174 L 8.40 4.04 0.00 1.83 1.77 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.04 4.04 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 0.00 176 Y 8.55 4.29 0.00 3.13 3.31 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 0.00 177 G 8.25 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 7.40 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *180 R 7.56 3.11 0.00 1.60 1.71 0.00 3.10 0.00 0.00 3.51 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.55 0.00 181 G 8.67 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 S 7.79 4.25 0.00 3.84 3.79 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.