NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1596 8.3149 121.7955 56.5929 33.4380 172.1597 7 L 3.7123 8.3377 124.4022 52.4364 41.3812 172.6269 8 P 4.5216 0.0000 0.0000 61.5035 32.9761 173.7646 9 P 4.3785 0.0000 0.0000 64.8954 31.5486 176.4948 10 G 3.9503 9.1410 111.5364 44.9233 0.0000 173.0542 11 W 5.0584 7.7178 119.1217 56.7419 29.9163 175.7360 12 E 4.9082 9.4882 123.4613 54.7252 33.2183 173.7413 13 K 4.2698 8.7295 127.3380 56.2431 33.2103 175.7959 14 R 4.6266 8.6542 125.2991 54.4851 34.8629 173.4944 15 M 5.2011 8.0414 118.1028 53.9485 35.3610 174.8369 16 S 4.5825 9.1659 121.9774 58.5026 63.9941 174.7302 17 R 4.0687 8.7029 122.6560 56.9610 30.6788 176.2872 18 S 3.7211 8.8183 112.6352 58.8956 61.0255 171.1109 19 S 4.6813 7.8940 110.6151 57.0484 65.3969 173.5315 20 G 4.1409 8.4215 107.5933 44.5859 0.0000 172.9553 21 R 4.1713 7.8542 119.5585 56.5542 30.9809 175.9240 22 V 4.6757 8.6758 124.8339 62.3739 33.0037 174.3085 23 Y 5.0344 8.5609 124.6064 56.4935 42.2723 172.5114 24 Y 5.1359 9.4386 116.8946 56.2850 40.7389 175.2116 25 F 5.5233 9.6516 125.5654 56.4350 43.5261 173.0227 26 N 4.5057 7.3147 123.7604 51.6668 39.7957 174.9238 27 H 4.2858 8.7362 124.7740 58.2512 28.7225 177.0042 28 I 4.0309 7.9006 118.8442 62.6206 37.8455 176.7069 29 T 4.1136 7.4697 108.2025 60.7330 70.0048 175.2912 30 N 3.9642 8.1441 119.0490 53.7479 36.7897 173.5488 31 A 4.5347 7.0611 120.0203 51.8286 19.7997 177.3162 32 A 5.6098 8.4103 121.1641 50.5965 22.3664 175.3898 33 Q 4.4208 9.3292 118.4138 55.0723 31.9649 175.7373 34 W 4.6896 8.7639 120.1214 59.4896 29.6570 177.4860 35 E 4.2219 8.1642 116.9458 55.5738 29.7204 176.5040 36 R 2.5100 8.1796 123.3005 55.0024 30.4774 175.5703 37 P 3.7272 0.0000 0.0000 64.2995 31.5825 176.0611 38 S 4.4635 7.1168 112.9203 56.4628 65.7450 173.9351 39 G 3.4781 8.0987 111.1606 47.4134 0.0000 173.8306 *45 G 3.6400 8.0570 106.2442 44.4565 0.0000 171.7777 46 K 4.6126 8.5780 125.7585 54.3966 34.3076 174.8003 47 N 4.9471 8.2854 121.9149 52.5334 40.2301 174.2388 48 G 3.8789 8.9379 107.7148 46.2601 0.0000 174.4890 49 Q 4.0078 8.1863 122.5428 56.4329 30.0785 178.2133 50 G 3.7201 8.0600 106.5793 46.2441 0.0000 172.1286 51 E 4.8484 8.4249 120.2787 53.1199 32.7544 174.1691 52 P 4.3916 0.0000 0.0000 62.8694 31.8227 176.6264 53 A 4.2024 8.5182 122.9031 54.5130 18.8479 177.5930 54 R 5.0330 7.5872 114.3824 55.3507 33.2585 174.3850 55 V 4.4912 8.0242 117.0500 59.5666 36.8519 174.0087 56 R 4.9294 8.4187 121.5245 53.8958 32.8148 174.1451 57 C 5.3829 8.8262 121.9044 58.3417 32.7961 172.8892 58 S 5.5588 8.9663 116.8078 57.5285 66.2362 172.6872 59 H 5.4391 9.1171 116.0548 54.8476 32.1307 172.5481 60 L 4.5612 9.0742 120.7262 53.2178 44.7719 174.6076 61 L 5.0555 8.8012 128.9209 53.3088 44.8198 175.1491 62 V 4.6718 8.6074 125.6881 61.1453 33.8271 175.2159 63 K 4.6791 9.1973 128.4398 56.1184 33.6252 175.4903 64 H 5.0200 8.8095 116.6975 53.8691 31.7020 174.4043 65 S 4.1957 8.8634 114.4294 61.2171 62.4592 175.3265 66 Q 4.5042 8.1818 117.3787 55.6085 28.8523 175.8377 67 S 4.4395 7.9425 115.6129 57.9614 63.3744 174.6701 68 R 4.0292 8.5259 120.6131 58.7207 29.0951 176.8244 69 R 4.4437 7.4786 117.6287 53.1351 30.7697 173.6047 70 P 4.6231 0.0000 0.0000 60.8820 29.9864 176.3714 71 S 4.7854 7.3311 109.8577 58.5750 65.5788 173.0819 72 S 4.6721 8.3644 119.3784 56.6423 65.8491 175.1880 73 W 4.3142 8.7307 117.1977 59.1711 27.9149 177.6875 74 R 3.2884 6.5607 117.8080 58.2177 29.8828 176.9840 75 Q 4.4168 7.5764 112.8965 54.8632 31.7544 174.3397 76 E 3.7711 9.1820 123.6882 58.3932 29.7233 176.6205 77 K 4.3444 7.7868 119.2462 54.4228 33.7871 175.1081 78 I 4.3215 8.3382 128.9983 60.7059 36.9480 175.9162 79 T 4.4719 8.2441 115.2451 61.0441 70.2324 175.1357 80 R 4.1671 7.7641 119.9115 56.5280 30.1332 176.4185 81 T 4.5553 8.9685 111.7098 60.9754 71.3496 176.0804 82 K 3.9229 8.3939 120.0773 59.5796 31.9460 179.4849 83 E 4.0449 8.0984 118.5028 59.4627 29.4854 179.0658 84 E 3.9905 8.2080 118.1141 59.1707 29.3933 179.2539 85 A 4.0190 8.1263 121.0787 54.9936 18.3534 179.4592 86 L 3.8871 8.0974 118.9829 58.0652 42.1651 178.7933 87 E 3.8669 8.1891 119.4258 59.1848 29.5166 178.8596 88 L 3.6072 7.8473 118.8983 57.6698 41.6611 179.3856 89 I 3.8412 7.9477 120.0340 64.7824 37.1157 178.3050 90 N 4.4583 8.4953 117.4356 56.0802 38.2827 177.8372 91 G 3.3976 7.7613 107.3064 47.9127 0.0000 175.4737 92 Y 4.2905 7.7619 119.4608 60.7998 37.7527 178.7123 93 I 3.7971 8.0447 120.8553 64.4090 37.2196 178.1983 94 Q 3.9594 8.2124 120.4032 59.1712 28.7542 178.3459 95 K 4.0207 8.2299 120.6097 59.4764 32.0734 178.9614 96 I 4.2266 7.8780 121.5950 63.8924 36.8695 178.5663 97 K 4.1273 8.3008 118.5914 58.9300 31.9361 179.1106 98 S 4.4009 8.0074 113.9890 59.3129 63.3230 175.3763 99 G 4.0427 7.6933 110.0463 45.0947 0.0000 174.2106 100 E 4.1657 7.9455 119.2568 58.6266 29.8019 176.9105 101 E 4.8338 8.1298 117.0413 53.7558 34.0280 173.9443 102 D 5.0857 7.9443 120.3331 51.4802 43.0038 177.2318 103 F 3.9000 8.8098 122.9395 61.7302 39.3118 177.3455 104 E 4.1026 8.4383 117.6841 59.5023 29.2348 179.3137 105 S 4.1031 8.7441 114.5785 61.5572 62.9939 176.5850 106 L 4.0838 7.8817 122.3109 57.3483 41.3851 179.3660 107 A 3.8380 7.9577 120.8373 55.2074 18.2062 179.8424 108 S 4.2597 8.3276 113.8285 61.4278 62.6013 176.5326 109 Q 4.0774 7.5108 119.1796 56.7868 29.2062 176.5412 110 F 4.8187 8.0424 115.3087 56.9534 40.4843 175.7996 111 S 4.3776 7.7798 116.0839 58.4041 62.5606 173.4076 112 D 4.5275 9.1513 126.6671 54.7334 41.0450 175.7555 113 C 4.7719 7.7712 120.6795 57.7281 33.3482 174.4251 114 S 4.1865 8.6346 120.6450 60.3331 62.5784 175.9369 115 S 4.3252 8.0043 117.2488 59.7968 62.8835 175.4484 116 A 3.9691 7.9773 125.8807 55.1980 17.8064 179.6621 117 K 3.7496 7.5389 115.8562 58.9240 32.7388 178.1665 118 A 4.6082 7.9968 121.7634 51.1397 19.7937 176.6589 119 R 3.7993 8.3276 116.4642 57.9011 28.3611 178.0364 120 G 4.0852 8.2218 106.9607 45.2663 0.0000 173.8235 121 D 4.7520 7.6735 119.2174 54.0989 41.4019 175.7882 122 L 4.4338 8.8227 125.5012 53.9887 42.6468 177.4410 123 G 3.8042 8.4771 107.6271 44.3654 0.0000 172.0518 124 A 4.8576 8.2230 119.6953 51.3634 20.3622 176.9904 125 F 5.0134 8.5417 114.1304 56.1772 42.2686 173.2518 126 S 5.5436 8.7220 115.2997 56.5038 66.4945 173.8284 127 R 4.2848 8.2602 119.4513 57.7020 30.1393 177.7231 128 G 3.9787 10.7106 109.7824 45.5311 0.0000 174.0766 129 Q 4.2382 7.6597 118.6259 57.1067 29.7971 175.1078 130 M 4.5532 7.5808 114.9278 52.7001 35.0471 175.7601 131 Q 4.1008 8.2280 118.7425 55.7303 30.4773 177.3025 132 K 3.9386 8.8106 125.7598 59.6620 32.3420 176.9497 133 P 4.3333 0.0000 0.0000 65.5212 31.2413 178.4533 134 F 3.9500 8.2298 119.0384 61.0597 39.4415 176.6320 135 E 4.3669 8.8262 119.3524 59.6448 29.3229 178.3676 136 D 4.4679 8.6221 117.5270 57.4530 41.3300 178.5519 137 A 4.0521 7.9072 120.7128 55.2567 17.9202 179.7398 138 S 3.9085 8.0688 113.7459 61.8196 62.7656 176.7117 139 F 4.1530 8.2387 117.4782 58.8425 38.9199 176.6769 140 A 4.4063 7.5533 118.7964 51.7847 19.5067 177.3254 141 L 4.2462 6.8344 116.7789 54.2209 42.7648 176.7733 142 R 4.5519 8.7170 120.7886 54.3768 32.0697 176.2430 143 T 3.8781 8.2329 116.1953 65.7563 68.6017 175.0233 144 G 3.9230 9.1234 115.3531 45.1016 0.0000 173.2232 145 E 4.4799 8.0506 119.5540 55.8056 31.3283 175.0374 146 M 5.2514 8.4259 121.4254 53.8223 34.9956 175.5426 147 S 4.3973 9.0425 120.9926 58.0442 65.1481 172.6845 148 G 4.7510 8.2212 107.4234 43.7545 0.0000 171.2448 149 P 4.5591 0.0000 0.0000 62.7598 32.1502 176.2582 150 V 4.4481 8.5932 124.4956 61.1192 34.0816 174.1002 151 F 5.2901 9.2524 127.1116 56.8550 40.0978 175.3483 152 T 4.8046 8.9761 112.5458 60.4133 71.9496 173.9336 153 D 4.6146 9.1566 119.8634 56.9115 40.9982 179.0217 154 S 4.2812 8.2420 115.1823 59.1513 64.1696 175.0514 155 G 3.9329 6.2719 108.4012 45.5295 0.0000 171.8389 156 I 4.7024 8.2104 125.2271 59.6952 39.8881 174.6262 157 H 5.5791 9.3202 123.2551 54.0585 32.9619 172.7702 158 I 4.8791 8.5984 120.7012 59.7229 40.2447 174.7004 159 I 5.0815 9.0011 128.0026 59.3146 40.4038 174.3550 160 L 4.8289 8.5823 127.9597 53.0286 44.7376 175.0841 161 R 4.5786 8.6201 128.1064 56.2388 30.5278 176.5624 162 T 4.4075 8.7976 116.8167 62.1683 70.8412 174.7366 163 E 4.1607 7.6791 126.6188 56.6813 30.6896 174.6675 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 K 8.31 4.16 0.00 1.76 1.85 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 7 L 8.34 3.71 0.00 2.05 1.82 1.17 0.77 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 8 P 0.00 4.52 0.00 2.52 2.09 0.00 3.48 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 1.98 2.08 0.00 9 P 0.00 4.38 0.00 2.08 2.07 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 10 G 9.14 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 7.72 5.06 0.00 3.36 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 12 E 9.49 4.91 0.00 2.18 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 2.27 2.34 0.00 13 K 8.73 4.27 0.00 1.77 1.60 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.99 0.57 7.81 14 R 8.65 4.63 0.00 0.67 1.39 0.00 3.21 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 15 M 8.04 5.20 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 16 S 9.17 4.58 0.00 3.91 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 17 R 8.70 4.07 0.00 1.88 1.85 0.00 3.26 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 18 S 8.82 3.72 0.00 3.95 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 19 S 7.89 4.68 0.00 3.88 3.78 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 0.00 0.00 0.00 20 G 8.42 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 21 R 7.85 4.17 0.00 2.19 2.53 0.00 3.21 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.70 0.00 22 V 8.68 4.68 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 0.68 0.00 0.00 1.00 0.00 0.00 23 Y 8.56 5.03 0.00 3.05 2.75 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 0.00 0.00 0.00 0.00 24 Y 9.44 5.14 0.00 3.04 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 25 F 9.65 5.52 0.00 3.17 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 26 N 7.31 4.51 0.00 1.44 1.51 0.00 0.00 7.20 7.79 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 27 H 8.74 4.29 0.00 3.03 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.90 4.03 1.82 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 1.31 0.42 0.92 0.00 0.00 29 T 7.47 4.11 4.05 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 0.00 0.00 0.00 1.06 0.00 0.00 30 N 8.14 3.96 0.00 2.94 3.07 0.00 0.00 6.74 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 31 A 7.06 4.53 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 32 A 8.41 5.61 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 33 Q 9.33 4.42 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 34 W 8.76 4.69 0.00 3.39 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 35 E 8.16 4.22 0.00 1.89 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 2.34 2.42 0.00 36 R 8.18 2.51 0.00 1.51 1.49 0.00 3.12 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.00 37 P 0.00 3.73 0.00 0.88 0.49 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 0.00 38 S 7.12 4.46 0.00 3.99 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 39 G 8.10 3.48 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 0.00 *45 G 8.06 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.58 4.61 0.00 1.69 1.68 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.38 7.81 47 N 8.29 4.95 0.00 2.81 2.71 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.94 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 49 Q 8.19 4.01 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.07 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 50 G 8.06 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 51 E 8.42 4.85 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 52 P 0.00 4.39 0.00 2.42 2.11 0.00 3.89 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 53 A 8.52 4.20 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.59 5.03 0.00 1.82 1.74 0.00 3.20 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.78 0.00 55 V 8.02 4.49 1.61 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 0.18 0.00 0.00 -0.48 0.00 0.00 56 R 8.42 4.93 0.00 1.78 1.65 0.00 3.07 0.00 0.00 3.33 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 57 C 8.83 5.38 0.00 3.21 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 58 S 8.97 5.56 0.00 3.63 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 9.12 5.44 0.00 3.59 3.55 0.00 5.50 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.07 4.56 0.00 1.19 1.30 0.28 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.80 5.06 0.00 1.76 1.45 0.69 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.61 4.67 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 0.97 0.00 0.00 1.08 0.00 0.00 63 K 9.20 4.68 0.00 1.62 1.67 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.34 7.81 64 H 8.81 5.02 0.00 3.43 3.41 0.00 5.48 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.86 4.20 0.00 4.00 4.09 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 66 Q 8.18 4.50 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 67 S 7.94 4.44 0.00 3.84 3.80 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 68 R 8.53 4.03 0.00 1.92 2.09 0.00 3.01 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 69 R 7.48 4.44 0.00 1.73 1.83 0.00 3.25 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 70 P 0.00 4.62 0.00 2.25 2.22 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 71 S 7.33 4.79 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.36 4.67 0.00 4.09 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 73 W 8.73 4.31 0.00 3.58 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 74 R 6.56 3.29 0.00 1.35 1.51 0.00 2.96 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.58 4.42 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 76 E 9.18 3.77 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 77 K 7.79 4.34 0.00 1.67 1.64 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.46 7.81 78 I 8.34 4.32 1.85 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 1.52 0.64 0.89 0.00 0.00 79 T 8.24 4.47 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 1.21 0.00 0.00 80 R 7.76 4.17 0.00 2.10 2.10 0.00 3.16 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 81 T 8.97 4.56 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 1.21 0.00 0.00 82 K 8.39 3.92 0.00 1.78 1.92 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.80 1.29 7.81 83 E 8.10 4.04 0.00 2.05 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 2.47 0.00 84 E 8.21 3.99 0.00 2.19 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 2.31 2.31 0.00 85 A 8.13 4.02 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 86 L 8.10 3.89 0.00 2.00 1.91 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.19 3.87 0.00 2.05 2.13 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 2.20 2.27 0.00 88 L 7.85 3.61 0.00 1.84 1.43 0.89 0.38 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 89 I 7.95 3.84 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 1.69 0.82 0.91 0.00 0.00 90 N 8.50 4.46 0.00 2.81 2.84 0.00 0.00 6.98 8.29 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 91 G 7.76 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 0.00 0.00 0.00 92 Y 7.76 4.29 0.00 3.11 2.85 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 93 I 8.04 3.80 2.05 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 1.49 0.96 0.95 0.00 0.00 94 Q 8.21 3.96 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 95 K 8.23 4.02 0.00 1.90 1.99 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.52 7.81 96 I 7.88 4.23 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 1.05 0.00 0.00 97 K 8.30 4.13 0.00 1.77 1.94 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.70 7.81 98 S 8.01 4.40 0.00 4.08 4.11 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 99 G 7.69 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.95 4.17 0.00 2.03 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 2.37 2.31 0.00 101 E 8.13 4.83 0.00 1.94 1.84 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 2.28 2.46 0.00 102 D 7.94 5.09 0.00 3.03 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 0.00 103 F 8.81 3.90 0.00 3.16 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 0.00 104 E 8.44 4.10 0.00 2.35 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 105 S 8.74 4.10 0.00 4.04 4.33 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 0.00 106 L 7.88 4.08 0.00 1.68 1.53 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.96 3.84 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 0.00 108 S 8.33 4.26 0.00 3.96 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 0.00 109 Q 7.51 4.08 0.00 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 110 F 8.04 4.82 0.00 2.68 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 0.00 111 S 7.78 4.38 0.00 3.80 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 0.00 112 D 9.15 4.53 0.00 2.75 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 0.00 113 C 7.77 4.77 0.00 3.01 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 0.00 114 S 8.63 4.19 0.00 4.00 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 0.00 115 S 8.00 4.33 0.00 4.27 4.19 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 0.00 116 A 7.98 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 0.00 117 K 7.54 3.75 0.00 1.78 1.64 0.00 1.46 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.34 7.81 118 A 8.00 4.61 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 0.00 119 R 8.33 3.80 0.00 2.00 2.06 0.00 3.14 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 120 G 8.22 4.09 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 0.00 121 D 7.67 4.75 0.00 2.70 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 0.00 122 L 8.82 4.43 0.00 1.93 1.66 0.71 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.48 3.80 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 0.00 0.00 0.00 124 A 8.22 4.86 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 0.00 125 F 8.54 5.01 0.00 3.13 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 0.00 126 S 8.72 5.54 0.00 3.87 3.87 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 0.00 127 R 8.26 4.28 0.00 1.56 1.73 0.00 2.90 0.00 0.00 3.03 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 128 G 10.71 3.98 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 0.00 0.00 0.00 129 Q 7.66 4.24 0.00 2.15 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.26 0.00 130 M 7.58 4.55 0.00 1.66 1.97 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.98 0.00 131 Q 8.23 4.10 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 132 K 8.81 3.94 0.00 1.90 1.90 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.55 1.81 7.81 133 P 0.00 4.33 0.00 2.40 2.19 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 134 F 8.23 3.95 0.00 3.02 3.14 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 0.00 135 E 8.83 4.37 0.00 2.32 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 2.49 2.74 0.00 136 D 8.62 4.47 0.00 2.68 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 0.00 137 A 7.91 4.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.07 3.91 0.00 4.08 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 0.00 139 F 8.24 4.15 0.00 3.06 3.24 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 0.00 140 A 7.55 4.41 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 0.00 141 L 6.83 4.25 0.00 1.72 1.54 0.78 0.78 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 0.00 142 R 8.72 4.55 0.00 2.02 1.83 0.00 3.16 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 143 T 8.23 3.88 4.21 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 1.17 0.00 0.00 144 G 9.12 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 0.00 145 E 8.05 4.48 0.00 2.06 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 2.35 2.36 0.00 146 M 8.43 5.25 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 147 S 9.04 4.40 0.00 3.95 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 0.00 148 G 8.22 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.56 0.00 2.00 1.85 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 150 V 8.59 4.45 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 0.92 0.00 0.00 0.91 0.00 0.00 151 F 9.25 5.29 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.98 4.80 4.55 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 1.36 0.00 0.00 153 D 9.16 4.61 0.00 2.87 2.78 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 0.00 0.00 0.00 154 S 8.24 4.28 0.00 3.95 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 0.00 155 G 6.27 3.93 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 0.00 0.00 0.00 156 I 8.21 4.70 1.72 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 0.76 0.80 0.35 0.00 0.00 157 H 9.32 5.58 0.00 3.12 3.38 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.60 4.88 1.97 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 1.30 0.99 1.23 0.00 0.00 159 I 9.00 5.08 1.68 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.51 0.75 0.00 0.00 160 L 8.58 4.83 0.00 0.44 0.52 0.77 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.62 4.58 0.00 1.82 1.83 0.00 2.94 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 162 T 8.80 4.41 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 163 E 7.68 4.16 0.00 1.92 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 2.26 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.