NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2783 8.2549 120.8604 56.0092 31.5695 176.7784 5 I 4.0557 7.4416 117.0363 61.3987 37.7673 174.1911 6 E 3.9940 8.3390 120.6448 59.1062 29.6390 177.7315 7 D 4.3194 8.0384 117.6717 57.8158 41.3249 177.8797 8 H 4.3290 7.8678 115.5844 58.7901 28.6107 178.0023 9 I 3.7413 7.7525 121.2156 64.6042 37.1130 178.1913 10 S 4.1675 7.9836 115.6711 61.7086 62.5581 176.8299 11 F 4.2481 8.1189 123.1573 61.2472 39.1785 176.6305 12 L 3.8110 8.1419 120.1358 58.3817 41.7126 178.8395 13 E 3.9023 8.2543 118.0580 59.3126 29.3797 179.2672 14 K 3.8410 7.9838 119.5167 59.5205 32.4146 178.3982 15 F 3.9689 8.5265 121.8463 61.2671 39.0920 177.2312 16 I 3.3735 7.8261 119.3503 64.3790 36.9070 177.7693 17 N 4.1687 8.6147 117.7536 56.9122 38.3913 177.1815 18 D 4.2635 8.2956 120.1284 57.1366 40.7252 179.0724 19 V 3.3583 7.1940 118.5034 65.8213 31.4449 177.9336 20 N 4.2465 8.1400 116.2314 56.5789 38.3568 177.1737 21 T 3.7986 8.0043 117.4214 66.7264 68.5458 175.9382 22 L 3.8995 7.9658 121.7566 58.7220 42.0935 179.2200 23 T 3.8157 8.1482 115.4460 66.6675 68.3200 176.4856 24 A 4.0179 8.4086 123.0452 54.9532 18.1003 179.6479 25 K 4.0197 7.9509 117.5931 59.5670 32.4552 178.9087 26 L 4.1652 8.2651 118.1840 56.5979 41.8921 178.2389 27 L 4.5341 7.8086 117.6579 54.6392 42.5122 178.2616 28 K 3.9612 7.5544 119.2769 60.0588 31.9415 177.9017 29 D 4.4417 8.0960 118.3973 57.0219 40.8468 178.5106 30 L 4.1793 7.8406 120.6358 58.3734 42.0237 178.8935 31 Q 4.1094 8.7777 118.1400 58.6971 28.6366 178.9762 32 T 4.3341 7.6907 116.7189 66.5310 68.5997 176.4289 33 E 3.9531 9.5459 119.6601 59.4310 29.5239 177.7736 34 Y 4.1244 8.3179 115.1929 57.3355 39.4773 176.0935 35 G 3.9473 8.6937 106.9527 45.8702 0.0000 172.0578 36 I 4.6583 8.5803 111.0434 58.2037 41.5172 175.3270 37 S 4.7219 8.1314 115.1050 56.6449 66.1553 174.6548 38 A 4.0186 8.4796 124.3171 55.5650 17.8538 179.6408 39 E 3.9621 8.2311 116.2886 60.1019 29.1530 179.6925 40 Q 3.9936 7.9350 117.1187 58.9637 28.4858 178.9031 41 S 4.1473 8.4066 113.9710 61.4684 62.4230 175.3739 42 H 4.2390 9.1196 121.7294 58.8327 29.3981 177.3878 43 V 3.6289 7.5915 120.4849 66.1145 31.4741 178.0639 44 L 4.0333 7.6605 117.9446 57.7779 41.2846 179.0247 45 N 4.3985 7.9917 116.7484 56.3171 38.6747 175.9676 46 M 4.4231 7.5977 117.7099 55.8495 31.4497 176.9648 47 L 5.0128 7.8852 120.0968 53.7255 43.1234 178.3155 48 S 4.4496 7.6619 114.7246 60.8620 63.1362 175.4748 49 I 4.0656 7.6290 115.3202 63.1550 38.8196 175.1363 50 E 4.3327 7.4705 120.8687 56.0394 32.6669 172.8997 51 A 4.9506 8.3748 122.0571 50.1623 22.1725 175.1619 52 L 4.9209 7.6916 118.3422 56.0631 43.5243 174.2909 53 T 4.6608 7.5635 111.8537 61.4857 70.7341 174.8030 54 V 3.7443 7.7343 116.9742 66.3192 31.2415 179.2766 55 G 4.0634 8.1559 105.0175 47.9633 0.0000 175.2713 56 Q 4.0016 7.9355 119.5437 59.1011 28.6405 178.2303 57 I 3.7221 7.3535 118.9308 64.1515 38.0131 177.6822 58 T 3.8071 8.5549 116.4180 64.9874 68.0923 175.8691 59 E 4.1855 7.3456 119.6249 58.0602 30.4991 177.4331 60 K 4.0696 7.9394 117.1295 59.7664 32.2646 179.0881 61 Q 4.1326 7.3266 116.3065 58.3571 28.8730 178.1274 62 G 4.4036 8.1338 105.1263 44.2494 0.0000 173.4998 63 V 3.7354 7.7372 118.5202 62.6884 32.5087 175.1445 64 N 3.8840 8.0412 119.5536 51.4570 39.2231 174.5320 65 K 3.8857 8.9637 128.7566 60.4073 32.4701 178.4276 66 A 3.9626 7.9965 121.6348 54.3434 18.5169 178.8406 67 A 3.8898 7.9555 118.9606 55.7607 17.9096 179.9889 68 V 3.5643 7.8649 116.2345 66.1075 31.4209 178.2751 69 S 4.0858 7.7508 113.1281 61.3853 62.5574 176.1759 70 R 3.9487 8.4848 119.1647 59.5937 28.9193 178.9116 71 R 4.0547 7.9401 118.1092 58.6083 29.9381 178.9294 72 V 3.5411 7.4304 117.1762 66.0843 31.3461 178.0580 73 K 3.9090 7.7826 117.6208 59.4240 31.6794 178.5012 74 K 4.1578 7.6255 117.7773 59.1013 31.8529 179.0605 75 L 4.1498 7.9232 118.6644 56.8008 41.5052 179.3932 76 L 4.0462 7.5335 119.9287 57.7530 41.4520 178.9068 77 N 4.3482 7.6890 114.2286 56.0277 38.5727 176.6693 78 A 4.1485 7.9550 119.3751 51.6335 20.2280 176.4432 79 E 3.7592 7.7933 116.0110 58.0040 26.9548 174.5067 80 L 4.8563 7.8775 113.3024 54.2062 44.0250 178.6404 81 V 4.8364 7.4673 118.8238 61.5689 34.2793 173.7711 82 K 4.6350 8.2990 127.0501 54.6824 34.6409 175.3912 83 L 5.0147 8.5509 124.8602 53.4316 42.6529 176.8904 *96 I 4.0786 8.0251 119.3903 60.1709 39.0696 174.8961 97 I 4.9371 7.6203 121.2250 61.3515 41.7091 174.1983 98 K 4.7884 9.7245 130.6036 55.7670 35.8692 173.0476 99 L 5.4509 8.2617 118.4143 53.9552 45.0641 175.0729 100 S 4.7146 8.2241 112.6435 56.7441 66.4021 174.4620 101 N 4.4567 8.8874 117.0290 56.5596 38.1926 177.5504 102 K 4.2140 8.1203 120.5936 59.1274 31.9265 179.0679 103 G 3.6101 8.2664 106.2839 47.8715 0.0000 175.7292 104 K 3.9622 9.2088 122.4351 58.9781 32.1053 179.3124 105 K 3.9754 8.0611 119.3696 59.5496 32.1147 177.9572 106 Y 3.7666 7.9527 119.5685 60.7962 38.4952 178.0394 107 I 3.2115 7.3392 119.7079 64.4074 37.2051 178.1223 108 K 4.1489 7.6325 118.4200 59.9257 31.8031 178.7363 109 E 3.8802 7.9135 117.6826 59.4131 29.3006 179.4214 110 R 3.6244 7.7258 118.9026 59.4901 30.1775 178.7902 111 K 3.9002 8.8462 119.0490 59.2385 31.9348 178.6416 112 A 3.8977 8.1351 121.4242 55.6215 18.3025 179.4074 113 I 3.5673 7.5935 116.9078 65.4230 37.2902 177.9478 114 M 3.8277 7.8085 118.4728 59.1220 31.8117 178.7283 115 S 4.1200 8.3319 113.1022 62.4532 62.7130 176.5911 116 H 4.3170 8.3360 119.7628 57.9970 28.3189 177.7227 117 I 3.8870 7.5578 120.8391 63.9106 37.1732 177.7420 118 A 4.0357 7.9435 120.3245 55.7540 18.3442 179.0810 119 S 4.1028 8.6834 111.6997 61.6112 62.2147 175.7902 120 D 4.1445 7.7739 121.2165 57.6029 40.8133 178.0761 121 M 4.4936 8.2610 115.9611 55.9188 32.6162 176.1868 122 T 4.9820 8.8351 110.4154 62.3995 70.8890 174.3688 123 S 4.8594 8.0199 116.9515 57.9447 61.9946 174.3839 124 D 4.5949 7.6375 114.6119 54.7489 43.3242 175.6391 125 F 4.2473 8.1793 119.3933 56.7977 40.0285 174.5990 126 D 4.6549 10.3780 123.4893 54.6264 41.5239 178.2043 127 S 3.9695 8.3916 123.0054 60.9886 63.8663 176.2915 128 K 3.9258 8.0841 123.6598 58.9328 31.8376 178.1731 129 E 3.9772 8.4837 117.9141 59.8241 29.6840 179.1455 130 I 3.6459 7.7570 118.9349 64.2923 37.1399 177.7578 131 E 3.8954 8.0575 118.6076 59.8044 29.0521 179.7022 132 K 3.8074 8.1780 118.9937 59.2557 32.0513 179.0069 133 V 3.5647 8.2853 119.1139 65.8843 31.5654 177.8450 134 R 3.8842 7.9197 117.9390 59.7217 29.9765 178.3114 135 Q 4.1095 8.4200 118.1093 58.6917 28.6896 178.4935 136 V 3.7544 7.5460 117.7870 65.1060 31.5452 177.8330 137 L 4.2573 7.9058 118.7221 57.0494 41.6022 178.9623 138 E 3.9755 8.5430 119.2509 59.4505 29.4583 179.1771 139 I 3.8095 7.7050 118.2944 64.0177 37.9510 178.0683 140 I 3.8201 7.5020 119.5956 64.1653 36.9091 177.8376 141 D 4.3258 8.3709 119.0978 57.4254 41.2201 177.3865 142 Y 4.1891 8.4596 120.5111 61.0474 38.6481 178.6758 143 R 4.0122 8.0407 119.9656 58.5696 30.1988 178.6346 144 I 3.6563 8.0874 120.0792 64.7741 37.1101 178.1885 145 Q 4.0081 8.4436 118.9651 59.0426 28.4698 179.2819 146 S 3.9866 7.7104 114.6698 61.6805 63.0158 175.9154 147 Y 3.8664 8.3620 123.8408 60.6472 38.5386 177.6754 148 T 3.9832 8.6078 117.2957 66.7439 68.4197 176.5799 149 S 4.1548 8.3236 116.6241 61.1637 62.8551 175.4035 150 K 4.1911 7.6090 120.9983 57.1251 32.6641 176.4595 151 L 3.9598 7.7775 127.3437 55.6057 43.5393 174.0353 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 4 R 8.25 4.28 0.00 1.79 2.03 0.00 3.36 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 5 I 7.44 4.06 1.89 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 1.54 0.63 0.95 0.00 0.00 6 E 8.34 3.99 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 7 D 8.04 4.32 0.00 2.79 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 8 H 7.87 4.33 0.00 3.44 3.37 0.00 5.67 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 9 I 7.75 3.74 2.04 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 1.66 0.90 0.92 0.00 0.00 10 S 7.98 4.17 0.00 4.12 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 11 F 8.12 4.25 0.00 3.07 3.32 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 12 L 8.14 3.81 0.00 1.95 1.85 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.25 3.90 0.00 2.18 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 2.46 0.00 14 K 7.98 3.84 0.00 1.86 1.95 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.46 7.81 15 F 8.53 3.97 0.00 2.17 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 16 I 7.83 3.37 2.04 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 1.48 0.53 0.84 0.00 0.00 17 N 8.61 4.17 0.00 2.83 2.85 0.00 0.00 7.13 8.68 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 18 D 8.30 4.26 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.19 3.36 1.91 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 0.97 0.00 0.00 0.23 0.00 0.00 20 N 8.14 4.25 0.00 2.86 2.80 0.00 0.00 7.03 6.57 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 21 T 8.00 3.80 4.32 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 1.19 0.00 0.00 22 L 7.97 3.90 0.00 1.77 1.85 0.91 0.74 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 23 T 8.15 3.82 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 1.18 0.00 0.00 24 A 8.41 4.02 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 25 K 7.95 4.02 0.00 1.93 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.52 7.81 26 L 8.27 4.17 0.00 1.74 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.81 4.53 0.00 1.72 1.73 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.55 3.96 0.00 2.07 1.84 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 29 D 8.10 4.44 0.00 2.84 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 30 L 7.84 4.18 0.00 1.83 1.87 1.22 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.78 4.11 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 32 T 7.69 4.33 4.45 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 1.23 0.00 0.00 33 E 9.55 3.95 0.00 2.20 2.37 0.00 0.00 0.00 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 2.40 0.00 34 Y 8.32 4.12 0.00 2.92 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 35 G 8.69 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 36 I 8.58 4.66 1.78 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.80 0.00 0.00 37 S 8.13 4.72 0.00 4.05 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 0.00 38 A 8.48 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.23 3.96 0.00 1.98 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 2.40 2.36 0.00 40 Q 7.94 3.99 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 41 S 8.41 4.15 0.00 3.88 4.03 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 0.00 0.00 0.00 42 H 9.12 4.24 0.00 3.40 3.30 0.00 5.84 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 43 V 7.59 3.63 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 0.98 0.00 0.00 1.03 0.00 0.00 44 L 7.66 4.03 0.00 1.99 1.80 0.76 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.99 4.40 0.00 2.68 2.68 0.00 0.00 7.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 7.60 4.42 0.00 1.98 2.09 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 2.87 2.55 0.00 47 L 7.89 5.01 0.00 1.88 1.66 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.66 4.45 0.00 3.95 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 49 I 7.63 4.07 1.87 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 1.44 0.60 0.95 0.00 0.00 50 E 7.47 4.33 0.00 2.29 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 2.16 2.22 0.00 51 A 8.37 4.95 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 52 L 7.69 4.92 0.00 1.86 1.78 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.56 4.66 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 1.23 0.00 0.00 54 V 7.73 3.74 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 0.94 0.00 0.00 0.93 0.00 0.00 55 G 8.16 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 56 Q 7.94 4.00 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 57 I 7.35 3.72 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 1.53 1.36 1.08 0.00 0.00 58 T 8.55 3.81 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 1.27 0.00 0.00 59 E 7.35 4.19 0.00 2.28 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 2.25 2.33 0.00 60 K 7.94 4.07 0.00 1.76 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.50 7.81 61 Q 7.33 4.13 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.57 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 62 G 8.13 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 0.00 0.00 0.00 0.00 63 V 7.74 3.74 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 0.78 0.00 0.00 0.92 0.00 0.00 64 N 8.04 3.88 0.00 2.84 2.63 0.00 0.00 6.57 6.52 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 65 K 8.96 3.89 0.00 2.06 2.10 0.00 1.45 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.61 7.81 66 A 8.00 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.96 3.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 3.56 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 1.01 0.00 0.00 1.04 0.00 0.00 69 S 7.75 4.09 0.00 3.90 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 70 R 8.48 3.95 0.00 2.01 2.19 0.00 2.82 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 71 R 7.94 4.05 0.00 1.90 2.01 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 72 V 7.43 3.54 2.29 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 0.99 0.00 0.00 0.98 0.00 0.00 73 K 7.78 3.91 0.00 1.81 1.83 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 74 K 7.63 4.16 0.00 2.10 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.69 7.81 75 L 7.92 4.15 0.00 1.89 1.70 0.92 0.66 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 76 L 7.53 4.05 0.00 1.84 1.70 0.92 0.63 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 77 N 7.69 4.35 0.00 2.86 2.88 0.00 0.00 7.04 7.23 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 78 A 7.95 4.15 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 79 E 7.79 3.76 0.00 2.15 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 2.25 2.44 0.00 80 L 7.88 4.86 0.00 1.45 1.63 0.87 0.83 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 81 V 7.47 4.84 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 1.16 0.00 0.00 0.97 0.00 0.00 82 K 8.30 4.63 0.00 1.94 1.69 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.45 7.81 83 L 8.55 5.01 0.00 1.60 1.56 0.92 1.15 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 *96 I 8.03 4.08 1.87 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 1.42 0.67 0.91 0.00 0.00 97 I 7.62 4.94 2.10 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 1.11 1.21 0.91 0.00 0.00 98 K 9.72 4.79 0.00 1.66 1.61 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.39 7.81 99 L 8.26 5.45 0.00 1.64 1.61 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.22 4.71 0.00 3.96 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 0.00 101 N 8.89 4.46 0.00 2.78 2.94 0.00 0.00 6.46 6.90 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 0.00 102 K 8.12 4.21 0.00 1.87 2.00 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.58 7.81 103 G 8.27 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 0.00 0.00 0.00 104 K 9.21 3.96 0.00 2.10 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 105 K 8.06 3.98 0.00 2.03 2.16 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.66 1.55 7.81 106 Y 7.95 3.77 0.00 2.66 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.34 3.21 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.94 0.81 0.00 0.00 108 K 7.63 4.15 0.00 1.95 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.67 7.81 109 E 7.91 3.88 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 110 R 7.73 3.62 0.00 1.15 1.49 0.00 3.01 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 0.00 111 K 8.85 3.90 0.00 1.77 1.79 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.53 7.81 112 A 8.14 3.90 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 0.00 113 I 7.59 3.57 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.90 0.00 0.00 114 M 7.81 3.83 0.00 1.94 2.15 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 2.57 2.87 0.00 115 S 8.33 4.12 0.00 4.10 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 0.00 116 H 8.34 4.32 0.00 3.53 3.43 0.00 5.80 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 0.00 117 I 7.56 3.89 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 1.81 0.90 0.93 0.00 0.00 118 A 7.94 4.04 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 0.00 119 S 8.68 4.10 0.00 3.90 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 0.00 120 D 7.77 4.14 0.00 2.89 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 0.00 121 M 8.26 4.49 0.00 2.02 2.30 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 2.63 2.61 0.00 122 T 8.84 4.98 4.48 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 1.31 0.00 0.00 123 S 8.02 4.86 0.00 4.04 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 0.00 124 D 7.64 4.59 0.00 2.63 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 0.00 125 F 8.18 4.25 0.00 3.27 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 0.00 126 D 10.38 4.65 0.00 2.98 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 0.00 127 S 8.39 3.97 0.00 4.12 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 0.00 128 K 8.08 3.93 0.00 1.82 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.48 7.81 129 E 8.48 3.98 0.00 2.14 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 2.43 2.45 0.00 130 I 7.76 3.65 2.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.11 0.86 0.00 0.00 131 E 8.06 3.90 0.00 2.16 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 2.33 2.47 0.00 132 K 8.18 3.81 0.00 1.92 1.99 0.00 1.49 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 133 V 8.29 3.56 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.88 0.00 0.00 134 R 7.92 3.88 0.00 1.93 2.09 0.00 3.27 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 135 Q 8.42 4.11 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 136 V 7.55 3.75 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 1.01 0.00 0.00 0.94 0.00 0.00 137 L 7.91 4.26 0.00 1.90 1.69 0.89 0.67 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 0.00 138 E 8.54 3.98 0.00 2.14 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 2.34 2.49 0.00 139 I 7.71 3.81 1.86 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 1.61 1.37 0.97 0.00 0.00 140 I 7.50 3.82 2.09 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 1.42 0.56 0.92 0.00 0.00 141 D 8.37 4.33 0.00 2.87 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 0.00 142 Y 8.46 4.19 0.00 3.14 3.12 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 0.00 143 R 8.04 4.01 0.00 2.09 2.00 0.00 3.29 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 144 I 8.09 3.66 2.06 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 1.48 0.87 0.90 0.00 0.00 145 Q 8.44 4.01 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 146 S 7.71 3.99 0.00 3.91 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 0.00 147 Y 8.36 3.87 0.00 3.10 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 0.00 148 T 8.61 3.98 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 1.24 0.00 0.00 149 S 8.32 4.15 0.00 3.97 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 0.00 150 K 7.61 4.19 0.00 1.81 1.70 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.38 7.81 151 L 7.78 3.96 0.00 1.66 1.68 0.92 0.70 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 * Residues marked with a * may have inaccurate shift predictions.