NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0988 8.2893 120.2937 56.7238 33.1661 174.2127 2 N 3.8547 7.3094 113.2881 50.3831 40.9494 173.0830 3 I 3.8824 8.4368 121.6891 64.9495 37.6106 178.9069 4 F 3.4100 8.3917 120.3042 61.7584 38.6333 177.0134 5 E 3.4724 8.1540 117.4506 59.3454 29.0618 179.2788 6 M 3.5279 7.6035 118.1632 58.6978 31.8851 178.4403 7 L 3.9891 7.3681 118.5065 57.4298 41.6991 179.0289 8 R 3.6418 7.2588 118.6465 58.7762 29.4285 178.0805 9 I 3.9833 6.5625 118.1335 63.8886 37.8426 177.4453 10 D 4.5150 8.2270 118.8742 56.9451 40.7766 177.2635 11 E 4.1594 8.9946 119.7121 58.1059 30.3428 175.6803 12 G 4.0811 7.8161 106.3086 44.0655 0.0000 172.6177 13 L 4.2439 8.2672 125.7961 53.7397 43.2164 175.6587 14 R 4.3532 8.0782 126.0178 54.4489 32.0564 174.9363 15 L 4.5156 8.3887 125.1814 54.9322 42.9063 176.4442 16 K 5.0304 7.5998 118.1274 54.3931 35.7296 176.1757 17 I 4.3749 8.0318 126.0931 60.3124 38.2853 174.2834 18 Y 4.9564 8.3576 122.0819 57.1077 39.8203 172.1051 19 K 4.3340 8.5987 120.3447 55.8747 33.1195 177.1713 20 D 4.3758 9.0739 125.7553 52.1541 40.5214 177.2267 21 T 3.8214 8.3668 109.2419 64.2854 68.3349 174.5961 22 E 4.4525 9.1945 119.9656 55.7826 29.9415 174.8826 23 G 3.8830 8.6132 110.3276 45.6459 0.0000 174.6129 24 Y 4.0743 7.2239 115.9274 57.3010 39.5413 175.2962 25 Y 4.7609 8.1956 119.4952 58.8928 39.1431 175.3089 26 T 5.0370 8.6566 118.9500 62.3785 74.1898 171.9747 27 I 4.0358 8.6709 121.3602 61.5578 42.1413 173.7561 28 G 4.1562 8.3175 111.4313 46.5025 0.0000 173.0474 29 I 4.3411 8.3551 115.3731 59.7982 35.4360 176.2613 30 G 4.0641 8.2777 108.5671 45.3914 0.0000 171.6287 31 H 4.5660 8.0315 119.9840 56.4663 27.9410 174.2312 32 L 4.7736 8.0201 124.6913 54.9497 42.4179 178.2298 33 L 5.2250 8.2947 119.5568 54.1581 41.4497 177.4186 *47 A 4.2959 8.3508 123.7391 53.1861 20.4876 178.5662 48 A 4.0674 7.7066 116.1585 54.9232 18.1123 179.7991 49 K 3.9756 7.8538 116.3443 59.4465 32.6735 179.4736 50 S 4.1655 8.0316 114.6249 60.9594 62.7727 176.2591 51 E 3.9366 8.7717 122.7971 58.9373 29.4459 177.9304 52 L 3.9491 7.5489 120.1353 58.3920 42.0869 178.2853 53 D 4.6983 10.4152 118.6753 57.5821 40.6555 179.5560 54 K 3.9533 7.7296 116.6737 59.9852 32.7345 178.5796 55 A 4.1097 9.1986 121.2559 54.7421 18.3444 179.0276 56 I 4.0826 8.6368 117.8484 61.3974 37.5234 177.2231 57 G 3.9149 8.6840 107.3104 45.6605 0.0000 172.9134 58 R 4.7051 7.4484 116.3178 54.6528 34.4488 174.0204 59 N 4.6505 8.4405 115.1288 53.5985 38.5942 176.9893 60 T 4.3199 7.5801 109.5526 60.3547 68.9884 174.6088 61 N 4.4557 8.8369 124.5171 55.8440 38.9503 176.6404 62 G 4.1024 7.9062 102.6426 45.8069 0.0000 171.7476 63 V 4.4247 7.8542 120.6555 62.1240 32.3654 175.5509 64 I 4.6040 8.2805 128.8407 59.9817 39.9745 174.8150 65 T 4.6026 8.1203 112.8398 59.6119 70.8284 175.3262 66 K 3.8234 8.8617 123.9949 60.2438 32.2690 178.3332 67 D 4.3936 8.0114 118.1786 57.5250 40.4457 178.4604 68 E 3.9528 7.9940 118.2215 59.2580 29.3460 179.1665 69 A 4.1999 8.1231 120.7485 54.3998 18.1287 178.7452 70 E 2.8238 7.8277 117.1130 57.5910 29.5701 178.5300 71 K 4.0429 7.6154 117.8639 58.8548 32.4917 178.6667 72 L 3.8448 7.2668 116.9351 57.7802 41.8952 178.6573 73 F 4.2230 8.2778 120.5030 61.9018 39.2914 176.7562 74 N 4.2902 8.0053 114.7741 56.7936 38.2791 177.4471 75 Q 4.2332 8.1483 118.9848 58.8907 28.6635 178.5726 76 D 4.3980 8.3687 120.6465 57.0524 40.7943 178.9213 77 V 3.6973 7.3550 118.4713 66.0673 31.7727 177.7136 78 D 4.0184 8.7088 118.7758 56.9447 40.5553 178.7146 79 A 3.9334 7.6786 121.3537 54.8326 18.3936 179.2619 80 A 3.6738 7.9103 118.4280 55.3415 18.6783 179.5982 81 V 3.3572 8.3030 117.3293 66.1319 31.5472 177.3730 82 R 3.7744 8.1389 115.0354 59.4670 29.1245 177.4754 83 G 3.6917 7.0684 109.0610 47.6724 0.0000 174.7630 84 I 3.5976 7.4739 121.9059 63.8503 36.9510 177.4637 85 L 4.2382 8.3153 117.9762 55.9092 41.3675 178.4732 86 R 4.5147 7.2641 117.5490 57.2006 31.2706 175.2063 87 N 4.1412 7.3820 121.5434 53.5077 38.8262 174.8277 88 A 3.9330 8.5360 129.8118 54.9582 18.7134 178.5667 89 K 4.4455 8.0305 114.2692 57.0959 32.4023 177.1071 90 L 4.7143 7.7148 115.0286 54.6345 44.5417 178.3632 91 K 3.8400 8.5189 120.3812 59.2109 31.7061 176.6109 92 P 4.2518 0.0000 0.0000 66.1931 31.4554 177.9031 93 V 3.6725 7.8670 117.7399 65.6098 31.4626 176.7160 94 Y 4.1513 8.1776 118.8125 61.1952 38.4785 178.2680 95 D 4.4190 8.1128 117.0883 56.8549 41.2487 177.6138 96 S 4.4065 8.5348 114.2886 58.8905 63.4466 174.2083 97 L 4.4490 6.9137 122.6377 53.8187 42.6627 176.6602 98 D 4.6284 8.2965 121.1051 52.8321 41.6795 177.1695 99 A 3.9840 8.3370 120.4703 54.7763 18.2161 180.0133 100 V 3.3082 7.6607 116.5599 66.1597 31.5873 178.0819 101 R 3.5758 8.4026 116.5900 59.2763 30.1316 178.8400 102 R 4.0805 7.7805 117.0603 59.2982 30.2235 178.4748 103 A 4.1345 7.7095 120.2749 55.6686 18.3414 179.5788 104 A 3.8089 7.7240 118.5719 54.7872 18.1511 179.3585 105 L 4.3100 8.3260 119.2358 57.8509 42.5148 178.4215 106 I 4.0377 7.8241 118.0284 62.8972 37.2272 177.5589 107 N 4.5630 8.1024 118.8579 56.9951 38.9108 176.7535 108 M 3.9569 7.5911 119.6420 58.1833 32.0607 178.6763 109 V 3.4803 7.7285 118.4579 66.2569 31.3848 178.1077 110 F 3.9519 8.0298 116.0159 60.5173 38.8121 177.2598 111 Q 4.2663 8.1011 118.6275 58.7296 29.0654 176.7148 112 M 4.4210 8.2507 114.7466 54.4024 31.6899 176.2482 113 G 4.0750 7.9703 106.1779 45.9562 0.0000 174.9109 114 E 3.8368 8.5030 119.8601 59.5480 29.6698 179.4229 115 T 4.0222 7.9107 115.4609 66.2186 68.3170 176.6577 116 G 3.7409 8.0303 106.5709 48.0144 0.0000 175.0803 117 V 3.4076 7.4888 120.9851 65.6203 31.2281 177.9915 118 A 4.1821 7.9025 119.0972 54.9756 18.2516 179.4692 119 G 3.8142 8.0600 103.5570 47.0945 0.0000 174.4717 120 F 4.2665 8.2753 121.9606 56.0247 36.8747 175.2933 121 T 3.8333 7.1105 118.8369 67.1396 68.6888 175.2422 122 N 4.2981 8.1929 118.1131 56.8884 39.1538 177.5494 123 S 4.1302 8.0703 115.7353 61.7979 62.8815 176.3312 124 L 3.9652 7.8784 120.1470 58.0430 41.6168 179.4738 125 R 3.9559 7.7277 118.3665 59.6283 30.0109 178.1523 126 M 3.8896 7.8797 117.8780 58.7324 31.8657 178.7533 127 L 3.9599 7.4820 116.9509 57.8387 41.8578 179.4303 128 Q 4.1706 7.8311 120.6502 58.6726 28.9299 177.5029 129 Q 4.2390 7.5739 114.3272 55.4625 28.6218 176.0821 130 K 2.0000 6.8564 117.6366 57.1512 30.6067 177.9563 131 R 4.0557 7.2405 118.1013 54.4727 26.2312 176.5923 132 W 4.8741 7.2123 123.8510 60.5023 29.7505 178.1050 133 D 4.5111 8.2537 117.8906 57.5052 40.3118 178.5978 134 E 4.0310 8.2308 118.4500 59.1071 29.4877 178.3248 135 A 3.9526 8.3933 121.0329 55.3985 18.3623 179.1246 136 A 4.0840 8.3665 117.9543 55.8220 18.3166 179.5927 137 V 3.5107 7.7795 114.9448 66.3981 31.6648 177.4287 138 N 4.4289 8.7279 117.6929 56.3833 39.0327 176.9521 139 L 4.4921 8.2435 120.7146 57.6448 41.6323 179.3559 140 A 4.5171 8.3065 119.2173 52.3888 18.9214 177.8453 141 K 4.4369 8.0408 118.3053 57.1606 33.7499 177.5295 142 S 4.5794 7.8607 115.3508 57.7527 65.5266 174.7633 143 R 4.1521 8.5461 121.1013 58.3427 29.7682 178.2229 144 W 4.4864 8.4859 128.2590 60.8796 30.7745 176.9896 145 Y 3.3607 8.3591 119.3270 60.5822 38.0746 177.4418 146 N 4.4452 7.9253 115.5621 56.7817 38.8225 177.1493 147 Q 4.3319 8.6305 118.4823 58.0942 30.2918 177.0587 148 T 4.4839 8.0264 114.5687 58.4344 68.1695 171.7204 149 P 3.0943 0.0000 0.0000 64.1855 31.4466 177.0984 150 N 4.0338 7.6978 113.2498 56.3089 38.7703 176.6526 151 R 3.9119 7.8427 118.8103 59.8653 30.0283 177.8304 152 A 3.0861 7.2643 119.7275 55.0426 18.1984 179.3343 153 K 3.9107 7.9309 118.0720 59.7594 31.8975 179.2426 154 R 3.8144 7.7356 117.3622 59.1496 30.4142 178.6342 155 V 3.7881 7.9503 117.4475 66.1743 31.6508 177.5452 156 I 4.1095 8.5098 119.7458 65.4091 36.6633 178.4971 157 T 4.0257 7.9318 115.7236 66.7295 68.1211 176.9516 158 T 3.8824 8.4732 118.1387 66.1752 68.2241 176.8825 159 F 3.8376 7.8059 118.6139 60.1532 39.1298 177.5503 160 R 4.1721 7.7547 117.0853 58.3248 29.9224 177.9833 161 T 4.3978 7.2139 106.6716 59.9267 70.5993 174.2524 162 G 3.5824 8.5524 109.8032 46.1667 0.0000 173.4443 163 T 4.4236 7.1129 107.5509 59.1529 71.9841 174.8460 164 W 4.8145 8.4675 121.9781 57.4300 28.8731 178.2321 165 D 4.4211 8.6003 122.5013 57.4111 40.3050 178.1272 166 A 4.2179 8.1041 118.7002 53.2537 18.2207 176.8715 167 Y 4.5541 7.6822 111.6339 57.7283 39.4034 177.4991 168 K 4.1487 7.0124 118.2223 58.0514 33.5354 175.1140 169 N 4.5734 7.7836 122.8211 53.6389 39.1516 174.3479 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 M 8.29 4.10 0.00 0.65 1.70 0.00 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 2 N 7.31 3.85 0.00 2.84 2.56 0.00 0.00 5.86 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.44 3.88 2.19 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.77 1.21 0.00 0.00 4 F 8.39 3.41 0.00 3.12 3.21 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 5 E 8.15 3.47 0.00 1.85 1.73 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 2.51 2.30 0.00 6 M 7.60 3.53 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.64 0.00 7 L 7.37 3.99 0.00 1.05 1.38 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.26 3.64 0.00 1.12 1.62 0.00 2.88 0.00 0.00 2.39 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.25 0.00 9 I 6.56 3.98 2.18 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 1.02 0.00 0.00 10 D 8.23 4.51 0.00 2.70 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 11 E 8.99 4.16 0.00 1.89 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 2.32 2.34 0.00 12 G 7.82 4.08 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 0.00 0.00 0.00 13 L 8.27 4.24 0.00 1.45 1.50 1.03 0.88 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 14 R 8.08 4.35 0.00 1.77 1.78 0.00 2.85 0.00 0.00 2.61 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.22 0.00 15 L 8.39 4.52 0.00 1.63 1.81 0.92 0.73 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 K 7.60 5.03 0.00 1.55 1.65 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.39 7.81 17 I 8.03 4.37 1.96 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 0.99 1.36 1.14 0.00 0.00 18 Y 8.36 4.96 0.00 3.17 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 19 K 8.60 4.33 0.00 1.53 1.72 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.32 1.33 7.81 20 D 9.07 4.38 0.00 2.74 2.64 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 21 T 8.37 3.82 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 22 E 9.19 4.45 0.00 2.13 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 2.27 2.26 0.00 23 G 8.61 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 0.00 0.00 0.00 24 Y 7.22 4.07 0.00 3.10 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 25 Y 8.20 4.76 0.00 2.99 2.93 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 0.00 0.00 0.00 26 T 8.66 5.04 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 1.36 0.00 0.00 27 I 8.67 4.04 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.36 1.14 0.00 0.00 28 G 8.32 4.16 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 0.00 0.00 0.00 29 I 8.36 4.34 1.98 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.76 0.00 0.00 30 G 8.28 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 0.00 0.00 0.00 31 H 8.03 4.57 0.00 3.35 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.02 4.77 0.00 1.86 1.68 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.29 5.22 0.00 1.78 1.67 1.08 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *47 A 8.35 4.30 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 48 A 7.71 4.07 1.04 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 0.00 0.00 49 K 7.85 3.98 0.00 1.77 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.41 7.81 50 S 8.03 4.17 0.00 3.85 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 51 E 8.77 3.94 0.00 2.05 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 0.00 2.33 2.33 0.00 52 L 7.55 3.95 0.00 1.92 1.80 1.00 1.27 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 53 D 10.42 4.70 0.00 2.92 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 54 K 7.73 3.95 0.00 1.94 2.14 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.70 1.46 7.81 55 A 9.20 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.64 4.08 1.87 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 1.46 0.81 0.91 0.00 0.00 57 G 8.68 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 0.00 0.00 0.00 58 R 7.45 4.71 0.00 1.74 1.79 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 59 N 8.44 4.65 0.00 2.70 2.81 0.00 0.00 6.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.58 4.32 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 1.21 0.00 0.00 61 N 8.84 4.46 0.00 2.73 2.90 0.00 0.00 6.89 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.91 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 63 V 7.85 4.42 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 0.87 0.00 0.00 0.93 0.00 0.00 64 I 8.28 4.60 1.90 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 1.30 0.77 0.90 0.00 0.00 65 T 8.12 4.60 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 66 K 8.86 3.82 0.00 1.79 1.93 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.64 7.81 67 D 8.01 4.39 0.00 2.72 2.64 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 68 E 7.99 3.95 0.00 2.32 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 2.32 2.36 0.00 69 A 8.12 4.20 1.47 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 0.00 0.00 70 E 7.83 2.82 0.00 1.31 1.62 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 1.73 1.47 0.00 71 K 7.62 4.04 0.00 1.74 1.77 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.39 7.81 72 L 7.27 3.84 0.00 1.81 1.56 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.28 4.22 0.00 3.40 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.01 4.29 0.00 2.78 2.88 0.00 0.00 7.15 7.62 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 75 Q 8.15 4.23 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 76 D 8.37 4.40 0.00 2.76 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 77 V 7.35 3.70 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 1.15 0.00 0.00 0.61 0.00 0.00 78 D 8.71 4.02 0.00 2.86 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 79 A 7.68 3.93 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 80 A 7.91 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.30 3.36 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 0.98 0.00 0.00 0.96 0.00 0.00 82 R 8.14 3.77 0.00 2.14 1.90 0.00 3.21 0.00 0.00 3.15 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 83 G 7.07 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.47 3.60 1.84 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 0.61 0.00 0.00 85 L 8.32 4.24 0.00 1.62 1.72 0.94 0.85 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 86 R 7.26 4.51 0.00 1.77 1.94 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 87 N 7.38 4.14 0.00 2.75 2.88 0.00 0.00 7.18 8.01 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 88 A 8.54 3.93 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 89 K 8.03 4.45 0.00 1.75 1.94 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.41 7.81 90 L 7.71 4.71 0.00 1.72 1.61 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.52 3.84 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.31 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 92 P 0.00 4.25 0.00 2.45 2.19 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 93 V 7.87 3.67 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.96 0.00 0.00 94 Y 8.18 4.15 0.00 3.15 3.02 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 95 D 8.11 4.42 0.00 3.01 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 96 S 8.53 4.41 0.00 4.05 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 97 L 6.91 4.45 0.00 1.67 1.63 1.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.30 4.63 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 99 A 8.34 3.98 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 0.00 100 V 7.66 3.31 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 -0.08 0.00 0.00 0.65 0.00 0.00 101 R 8.40 3.58 0.00 1.72 2.08 0.00 2.72 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.62 0.00 102 R 7.78 4.08 0.00 1.92 2.00 0.00 2.85 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.58 0.00 103 A 7.71 4.13 1.58 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 0.00 0.00 0.00 104 A 7.72 3.81 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 0.00 105 L 8.33 4.31 0.00 2.09 2.12 1.06 1.26 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 0.00 106 I 7.82 4.04 2.20 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.72 1.14 0.00 0.00 107 N 8.10 4.56 0.00 3.04 3.08 0.00 0.00 7.06 7.18 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 0.00 108 M 7.59 3.96 0.00 1.79 2.09 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 1.68 0.00 109 V 7.73 3.48 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 0.77 0.00 0.00 0.89 0.00 0.00 110 F 8.03 3.95 0.00 3.38 3.23 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 0.00 111 Q 8.10 4.27 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.17 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 112 M 8.25 4.42 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 113 G 7.97 4.08 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 0.00 0.00 0.00 114 E 8.50 3.84 0.00 1.96 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 2.32 2.32 0.00 115 T 7.91 4.02 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 116 G 8.03 3.74 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 0.00 0.00 0.00 117 V 7.49 3.41 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 0.84 0.00 0.00 0.82 0.00 0.00 118 A 7.90 4.18 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 0.00 119 G 8.06 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.28 4.27 0.00 3.25 3.06 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 0.00 121 T 7.11 3.83 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 1.21 0.00 0.00 122 N 8.19 4.30 0.00 2.91 2.89 0.00 0.00 6.87 7.09 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 0.00 123 S 8.07 4.13 0.00 4.00 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 0.00 124 L 7.88 3.97 0.00 1.93 1.77 1.09 0.79 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 0.00 125 R 7.73 3.96 0.00 1.81 1.99 0.00 3.10 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 1.86 1.65 0.00 126 M 7.88 3.89 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 127 L 7.48 3.96 0.00 1.80 1.88 0.36 0.77 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 0.00 128 Q 7.83 4.17 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 129 Q 7.57 4.24 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 130 K 6.86 2.00 0.00 1.42 1.15 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.19 7.81 131 R 7.24 4.06 0.00 1.74 1.93 0.00 3.34 0.00 0.00 3.08 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 132 W 7.21 4.87 0.00 3.37 3.18 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 0.00 133 D 8.25 4.51 0.00 2.78 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 0.00 134 E 8.23 4.03 0.00 2.01 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 2.40 2.37 0.00 135 A 8.39 3.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.37 4.08 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 0.00 137 V 7.78 3.51 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 1.05 0.00 0.00 138 N 8.73 4.43 0.00 2.73 2.89 0.00 0.00 7.41 7.64 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 0.00 139 L 8.24 4.49 0.00 2.10 2.06 1.05 1.16 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 0.00 140 A 8.31 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 0.00 141 K 8.04 4.44 0.00 1.88 1.78 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.53 7.81 142 S 7.86 4.58 0.00 4.49 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.55 4.15 0.00 2.02 2.09 0.00 3.31 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 144 W 8.49 4.49 0.00 3.72 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 0.00 145 Y 8.36 3.36 0.00 3.04 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 0.00 146 N 7.93 4.45 0.00 3.03 2.95 0.00 0.00 7.16 8.96 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 0.00 147 Q 8.63 4.33 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.11 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 148 T 8.03 4.48 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 149 P 0.00 3.09 0.00 1.89 1.59 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 150 N 7.70 4.03 0.00 2.55 2.74 0.00 0.00 6.79 7.66 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 0.00 151 R 7.84 3.91 0.00 1.86 1.88 0.00 3.30 0.00 0.00 3.59 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 152 A 7.26 3.09 0.09 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 0.00 0.00 153 K 7.93 3.91 0.00 1.81 1.90 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.54 7.81 154 R 7.74 3.81 0.00 1.90 1.48 0.00 2.51 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 155 V 7.95 3.79 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 1.21 0.00 0.00 1.23 0.00 0.00 156 I 8.51 4.11 2.23 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.21 1.10 0.00 0.00 157 T 7.93 4.03 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 1.21 0.00 0.00 158 T 8.47 3.88 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 0.71 0.00 0.00 159 F 7.81 3.84 0.00 3.25 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 0.00 160 R 7.75 4.17 0.00 1.98 2.01 0.00 3.17 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 161 T 7.21 4.40 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 1.18 0.00 0.00 162 G 8.55 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 0.00 0.00 0.00 0.00 163 T 7.11 4.42 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 0.00 164 W 8.47 4.81 0.00 3.48 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 0.00 165 D 8.60 4.42 0.00 2.72 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 0.00 166 A 8.10 4.22 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 0.00 167 Y 7.68 4.55 0.00 3.23 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 K 7.01 4.15 0.00 1.79 1.78 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.50 7.81 169 N 7.78 4.57 0.00 2.67 2.60 0.00 0.00 6.79 7.56 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 * Residues marked with a * may have inaccurate shift predictions.