NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2577 8.1576 121.7845 55.9612 34.4601 177.4588 3 P 4.2527 0.0000 0.0000 64.5528 30.7365 176.5970 4 L 3.9557 8.6286 121.1093 57.5630 42.4203 180.0561 5 K 3.9784 7.9530 118.1526 59.4960 31.5204 179.0095 6 E 3.9057 8.2001 118.9510 59.0039 29.3193 179.5351 7 V 3.4123 7.5970 118.3485 66.0190 31.5687 178.3574 8 V 3.7296 7.8006 118.1060 65.8055 31.3511 178.0287 9 G 3.6825 8.3636 105.5356 47.8736 0.0000 175.5188 10 A 4.1051 8.1381 123.2660 55.0853 18.3626 179.2624 11 Y 4.1223 8.2852 115.3163 61.4582 37.9867 179.0875 12 L 4.1011 8.5646 119.9100 57.5637 41.6753 179.4039 13 A 4.0399 8.1736 120.9904 55.0899 18.2886 179.4955 14 L 3.9160 8.1755 118.8851 58.3167 42.2082 179.2486 15 S 4.1560 8.3893 115.2948 61.7319 62.8091 176.4027 16 D 4.3471 8.3408 121.2515 57.3390 40.5206 178.6533 17 A 4.3428 7.8971 122.4803 54.8501 18.2656 179.6847 18 Q 3.9556 8.3062 116.5524 59.2546 28.7481 179.3951 19 R 3.9611 8.0344 119.0295 59.2973 29.9408 179.1314 20 Q 4.0050 8.2514 117.9485 58.6817 28.6449 178.7364 21 L 4.0689 8.2032 120.3562 57.9236 41.5078 179.6864 22 V 3.6059 7.3569 116.6872 65.8208 31.5586 177.2567 23 A 4.2217 7.7448 118.1201 52.3117 18.4912 178.2088 24 G 3.1560 7.3966 105.2008 46.0411 0.0000 175.6675 25 E 4.2177 7.6652 121.9120 55.1500 26.3072 176.5095 26 Y 4.3464 7.3399 120.3328 60.8115 38.5816 177.2310 27 D 4.3538 8.1601 118.6568 57.4974 41.4015 178.1179 28 E 3.9813 8.1607 118.3330 59.2584 29.5814 178.9379 29 A 4.1277 8.2162 120.6430 55.1071 18.5076 179.5139 30 A 3.9467 8.3261 119.1395 55.2980 18.4497 179.7019 31 A 3.9561 7.8486 118.7847 55.5378 18.3895 179.6989 32 N 4.3402 8.4059 114.9726 56.4037 38.3140 177.5876 33 C 4.1126 8.0185 117.5975 62.9177 28.3343 175.9827 34 R 4.0642 7.6846 118.2443 59.2638 29.9382 178.8215 35 R 4.0971 8.3170 118.4375 59.1115 30.0163 178.6818 36 A 3.9858 8.1353 117.0403 53.1978 17.7751 178.7321 *38 E 4.3011 8.1000 121.7866 57.9525 31.8196 178.6136 39 I 3.7514 7.9209 119.6217 64.2365 37.3594 178.5722 40 S 3.6979 7.9220 113.9921 61.3887 62.6989 174.7840 41 H 4.5798 7.5423 115.5914 56.2974 28.8545 176.3703 42 T 4.1875 7.2858 113.0060 59.2614 67.2538 172.2213 *44 P 4.2159 0.0000 0.0000 62.3078 32.9259 176.8813 45 P 4.2683 0.0000 0.0000 65.7004 31.3629 177.1764 46 E 4.1449 8.1069 114.2317 56.8497 29.8116 175.6792 47 E 4.3296 7.7008 121.6099 54.4307 30.5723 175.3320 48 A 4.1223 8.5984 129.6518 52.5566 18.8160 176.2757 49 F 4.5061 8.2532 122.0266 56.4991 42.3690 174.4191 50 D 4.5254 7.1772 127.1703 53.1968 39.3144 176.4030 51 H 4.4495 8.4021 121.7608 58.1698 29.2429 176.6401 52 A 3.9358 7.9943 122.1913 55.1160 18.3354 179.8130 53 G 2.4564 7.7077 105.3727 46.8164 0.0000 175.6787 54 F 3.6122 7.7895 123.4350 60.9330 39.3289 176.9156 55 D 4.2110 8.3380 118.6341 57.2022 40.5494 178.6839 56 A 3.7703 7.2228 121.0304 55.0543 18.2265 179.7410 57 F 4.4841 7.6383 116.2974 60.9063 38.9151 177.7590 58 C 4.0012 7.7742 116.3511 63.1893 27.8882 175.9512 59 H 4.3447 8.4383 117.8316 58.5520 28.1911 177.8493 60 A 4.2151 8.4384 122.9464 55.1851 18.3355 179.8550 61 G 3.6038 8.1434 104.3185 47.9382 0.0000 175.6053 62 L 3.9957 8.4742 123.1328 57.7490 42.0469 178.8896 63 A 3.9994 8.2630 120.8488 55.1130 18.3354 179.2168 64 E 3.9311 8.5198 118.9309 58.7323 29.7228 178.9109 65 A 3.9145 8.0421 120.7326 55.3097 18.4757 179.6768 66 L 3.8660 8.2213 117.5870 57.7229 41.6240 179.6754 67 A 4.0306 8.2254 121.1549 55.0304 18.0907 179.8739 68 G 2.7224 7.3289 103.2405 47.4186 0.0000 175.1735 69 L 4.1919 7.4043 118.2972 54.2380 41.9194 177.1421 70 R 2.5100 7.1555 116.8436 57.2539 28.2938 177.9432 71 S 4.3492 7.2648 113.2725 57.0933 59.5030 173.3703 72 F 4.4513 7.5065 124.7338 60.0139 39.1292 176.5854 73 D 4.4142 8.1612 118.1882 57.6504 40.7560 178.5478 74 E 3.9538 8.1786 118.1809 59.2233 29.3964 179.1550 75 A 3.9832 7.9889 120.8010 55.0603 18.4544 179.3082 76 L 3.9068 8.2129 119.0016 58.8107 42.2313 178.9698 77 H 4.0968 8.1601 115.7669 58.8557 28.6970 177.8354 78 S 4.0855 8.2398 114.7983 61.2404 62.1861 175.9742 79 A 4.0868 8.3196 123.7698 55.4149 18.1648 179.3062 80 D 4.3481 8.3246 117.4071 57.5454 40.4339 179.2695 81 K 3.9544 7.9877 118.3024 59.1722 31.9477 179.3716 82 A 4.0800 8.0029 121.0088 55.2261 18.3340 179.7785 83 L 4.2471 8.4838 117.7902 57.9789 40.0480 179.1139 84 H 4.0508 8.3873 118.6029 59.1496 29.6874 176.7572 85 Y 3.8894 7.4407 121.6441 60.6919 38.7644 177.5067 86 F 3.7381 7.7051 118.6092 60.4030 38.5595 177.4804 87 N 4.4679 8.2025 117.9363 56.2653 38.3097 177.9648 88 R 4.1734 6.7931 120.3018 60.2416 29.9436 181.5565 89 R 4.5523 7.2807 115.9259 55.2457 30.7569 176.4730 90 G 3.3819 7.2390 107.2411 44.9797 0.0000 174.0581 91 E 4.7130 8.9918 121.4145 53.9756 31.4377 176.7767 92 L 4.1025 8.9669 127.2548 57.9753 42.3894 177.7534 93 N 4.8873 8.1869 113.6383 53.1334 38.6065 174.2196 94 Q 4.7546 7.5797 117.9584 53.6533 31.9138 176.2752 95 D 4.3519 8.7733 118.5451 57.8715 41.3198 178.8476 96 E 3.9854 8.6411 118.9281 59.7259 29.3756 179.1088 97 G 4.0305 8.4081 106.9723 47.1375 0.0000 175.7498 98 K 3.9814 8.1311 120.6369 59.4068 32.0549 179.3654 99 L 4.0791 7.7899 118.7407 56.9478 41.4957 179.3056 100 W 3.2215 7.4946 128.0401 60.2943 30.6900 177.7681 101 I 3.5524 7.6928 119.7034 64.3847 36.4860 178.2327 102 S 4.1452 8.0532 113.5654 61.5519 62.2474 176.1736 103 A 4.1634 8.2431 123.3423 55.1729 18.1342 179.8126 104 V 3.6049 8.0158 116.9076 66.1978 31.5507 177.6953 105 Y 4.1095 8.2607 119.3527 60.9008 38.1572 178.0742 106 S 4.0106 8.6120 116.5459 61.5864 62.8305 176.7263 107 R 3.8536 8.1622 121.1243 59.2154 29.8305 178.4476 108 A 3.4750 7.6886 120.4957 54.9826 18.1290 179.6133 109 L 3.8166 7.5697 117.3400 57.6592 41.5918 179.7472 110 A 3.9178 8.1035 120.9032 55.1662 18.3209 179.6333 111 L 3.8428 7.9077 117.7476 57.8853 41.6378 179.3571 112 D 4.3128 8.0435 118.0294 57.3421 41.0138 178.6158 113 G 2.4709 7.3629 104.9659 46.7823 0.0000 174.6423 114 L 4.4456 7.4064 118.6909 54.3228 41.8662 177.4978 115 G 3.8345 7.6993 107.1737 46.0621 0.0000 175.4236 116 R 4.4569 7.8584 120.2258 54.5703 28.8704 177.6428 117 G 3.6000 7.8276 108.0497 48.3684 0.0000 173.3452 118 A 4.1170 8.0491 121.9566 54.7477 18.4719 178.1236 119 E 4.2443 8.0852 114.2731 58.2956 30.4224 178.2778 120 A 4.4220 7.6539 122.1660 51.5437 17.9604 177.4670 *122 P 4.3912 0.0000 0.0000 64.3916 33.6218 178.6081 123 E 3.9355 7.7169 118.5852 59.2660 29.1211 179.1641 124 F 4.3470 8.2250 117.9458 60.4221 38.9279 177.6238 125 K 3.9963 8.1550 118.8989 59.4052 31.8597 178.6233 126 K 3.9146 7.8900 119.0019 59.2485 32.1182 178.6322 127 V 3.6885 7.5959 117.9404 65.9975 31.7964 177.9062 128 V 3.7790 7.5524 117.9693 65.8934 31.3095 178.6158 129 E 3.7765 8.0499 115.2962 57.1418 27.8256 178.8583 *131 I 3.9799 7.7312 122.2602 61.4462 39.2999 177.7912 132 E 3.8988 8.1200 119.9589 59.2055 29.6310 177.5447 133 E 3.9416 8.0947 118.3102 58.8459 29.7992 177.2382 134 R 4.0960 7.2092 119.9206 55.9326 30.2784 175.5685 135 K 4.2074 8.7086 125.9860 56.2335 33.5914 176.0140 136 G 4.1384 8.9555 110.5881 43.1795 0.0000 173.0685 137 E 3.9451 8.6965 122.3630 56.7540 30.0544 177.3106 138 T 4.4623 8.0746 121.9909 60.0953 69.1604 170.4298 139 P 4.1458 0.0000 0.0000 64.1539 32.1664 177.0047 140 G 3.8805 8.9190 109.4772 45.5563 0.0000 175.0356 141 K 3.8220 7.6335 122.1680 59.2685 32.4318 178.1844 142 E 4.0209 8.1288 117.2631 59.4048 30.3047 177.7559 143 R 4.0947 7.2401 119.1793 56.5874 28.2292 175.9776 *146 E 4.2078 7.9491 122.5016 56.1401 32.2105 177.6977 147 V 3.5313 7.8746 117.4264 65.8616 31.5761 177.6813 148 A 3.4368 8.0398 119.9870 55.2828 18.3406 179.3557 149 I 3.6412 7.5851 116.4658 64.1539 38.1120 177.6906 150 D 4.2951 8.0797 119.9018 57.3358 40.5755 178.9894 151 R 3.7767 7.8810 118.7291 59.0727 29.9917 179.0249 152 I 3.6142 7.6050 119.4163 64.3456 36.8734 178.3912 153 A 3.9665 7.6127 120.1692 55.2440 18.0006 179.4382 154 Q 4.0610 8.1544 116.6384 59.1705 28.5770 179.0517 155 L 4.1710 8.5098 119.5232 57.5428 41.7197 179.4877 156 G 3.6974 8.0442 104.5349 46.9238 0.0000 173.9398 157 A 4.3014 7.4687 126.1830 52.4196 18.5606 176.9298 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 2 K 8.16 4.26 0.00 1.79 1.84 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.41 7.81 3 P 0.00 4.25 0.00 2.35 2.28 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 4 L 8.63 3.96 0.00 1.75 1.67 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.95 3.98 0.00 2.07 1.82 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.10 7.81 6 E 8.20 3.91 0.00 2.07 1.85 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 2.27 2.36 0.00 7 V 7.60 3.41 2.20 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 1.04 0.00 0.00 0.92 0.00 0.00 8 V 7.80 3.73 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 1.06 0.00 0.00 0.93 0.00 0.00 9 G 8.36 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.14 4.11 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 11 Y 8.29 4.12 0.00 3.36 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.56 4.10 0.00 1.75 1.78 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.17 4.04 1.53 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 0.00 0.00 0.00 14 L 8.18 3.92 0.00 1.78 1.87 0.79 0.62 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 15 S 8.39 4.16 0.00 4.11 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 16 D 8.34 4.35 0.00 2.89 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 17 A 7.90 4.34 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.31 3.96 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 19 R 8.03 3.96 0.00 2.03 1.97 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 20 Q 8.25 4.00 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 21 L 8.20 4.07 0.00 1.92 1.98 1.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.36 3.61 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 23 A 7.74 4.22 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 24 G 7.40 3.16 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 25 E 7.67 4.22 0.00 1.94 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 2.22 2.23 0.00 26 Y 7.34 4.35 0.00 3.01 3.04 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 27 D 8.16 4.35 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.16 3.98 0.00 2.24 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 2.39 2.44 0.00 29 A 8.22 4.13 1.53 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 0.00 0.00 0.00 30 A 8.33 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.85 3.96 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 32 N 8.41 4.34 0.00 2.77 3.10 0.00 0.00 7.06 7.26 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 33 C 8.02 4.11 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.68 4.06 0.00 1.97 2.01 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 35 R 8.32 4.10 0.00 1.97 2.14 0.00 3.11 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 36 A 8.14 3.99 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 *38 E 8.10 4.30 0.00 2.26 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 0.00 2.32 2.50 0.00 39 I 7.92 3.75 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 1.35 0.69 0.92 0.00 0.00 40 S 7.92 3.70 0.00 3.53 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 41 H 7.54 4.58 0.00 3.05 3.36 0.00 5.84 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 42 T 7.29 4.19 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 1.27 0.00 0.00 *44 P 0.00 4.22 0.00 2.25 2.24 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 45 P 0.00 4.27 0.00 2.20 2.21 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 1.98 1.94 0.00 46 E 8.11 4.14 0.00 2.10 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 0.00 2.27 2.24 0.00 47 E 7.70 4.33 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 2.26 2.36 0.00 48 A 8.60 4.12 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 49 F 8.25 4.51 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.18 4.53 0.00 2.64 2.19 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 51 H 8.40 4.45 0.00 3.35 3.43 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.99 3.94 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 53 G 7.71 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.79 3.61 0.00 2.87 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 55 D 8.34 4.21 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.22 3.77 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 57 F 7.64 4.48 0.00 2.86 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 58 C 7.77 4.00 0.00 2.87 2.79 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 59 H 8.44 4.34 0.00 3.17 3.56 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.44 4.22 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 0.00 0.00 0.00 0.00 0.00 61 G 8.14 3.60 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 0.00 62 L 8.47 4.00 0.00 1.84 1.91 0.98 1.18 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 63 A 8.26 4.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.52 3.93 0.00 2.14 2.20 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 2.39 2.28 0.00 65 A 8.04 3.91 1.50 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 0.00 0.00 66 L 8.22 3.87 0.00 1.65 1.85 0.95 0.89 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 67 A 8.23 4.03 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 68 G 7.33 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 69 L 7.40 4.19 0.00 1.66 1.64 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.16 2.51 0.00 1.71 1.55 0.00 3.18 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 71 S 7.26 4.35 0.00 3.74 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.51 4.45 0.00 3.12 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 73 D 8.16 4.41 0.00 2.70 2.71 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 74 E 8.18 3.95 0.00 1.99 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 2.37 2.35 0.00 75 A 7.99 3.98 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 76 L 8.21 3.91 0.00 1.90 1.95 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.16 4.10 0.00 3.36 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.24 4.09 0.00 3.96 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 79 A 8.32 4.09 1.48 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 80 D 8.32 4.35 0.00 2.81 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 81 K 7.99 3.95 0.00 1.66 1.56 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.56 7.81 82 A 8.00 4.08 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.48 4.25 0.00 1.79 1.88 1.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.39 4.05 0.00 3.39 3.44 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.44 3.89 0.00 3.02 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 7.71 3.74 0.00 2.50 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.20 4.47 0.00 2.68 2.90 0.00 0.00 6.90 8.10 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 88 R 6.79 4.17 0.00 1.93 1.83 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 89 R 7.28 4.55 0.00 0.90 1.62 0.00 3.12 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 1.39 1.30 0.00 90 G 7.24 3.38 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 0.00 91 E 8.99 4.71 0.00 2.13 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 2.27 2.25 0.00 92 L 8.97 4.10 0.00 1.68 1.68 0.60 0.41 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 93 N 8.19 4.89 0.00 2.78 2.82 0.00 0.00 6.74 7.69 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 94 Q 7.58 4.75 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.71 0.00 95 D 8.77 4.35 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.64 3.99 0.00 2.25 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 2.77 3.14 0.00 97 G 8.41 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 0.00 0.00 0.00 98 K 8.13 3.98 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 99 L 7.79 4.08 0.00 1.89 1.87 0.42 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 100 W 7.49 3.22 0.00 2.62 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 0.00 101 I 7.69 3.55 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.36 0.82 0.00 0.00 102 S 8.05 4.15 0.00 4.01 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 0.00 103 A 8.24 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.02 3.60 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.09 0.00 0.00 105 Y 8.26 4.11 0.00 3.13 3.16 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 0.00 106 S 8.61 4.01 0.00 4.06 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 0.00 107 R 8.16 3.85 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 108 A 7.69 3.48 0.07 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 0.00 0.00 109 L 7.57 3.82 0.00 1.70 1.66 0.67 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.10 3.92 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.91 3.84 0.00 1.68 1.81 0.83 1.16 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 0.00 112 D 8.04 4.31 0.00 2.99 2.71 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 0.00 113 G 7.36 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 0.00 0.00 0.00 114 L 7.41 4.45 0.00 1.73 1.70 0.95 1.09 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 0.00 115 G 7.70 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.86 4.46 0.00 1.96 1.85 0.00 3.12 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 117 G 7.83 3.60 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 0.00 118 A 8.05 4.12 1.29 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 0.00 0.00 0.00 119 E 8.09 4.24 0.00 2.01 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 2.34 2.28 0.00 120 A 7.65 4.42 1.40 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 *122 P 0.00 4.39 0.00 2.26 2.37 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 123 E 7.72 3.94 0.00 1.80 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 2.26 2.38 0.00 124 F 8.23 4.35 0.00 3.08 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 0.00 125 K 8.15 4.00 0.00 1.87 2.00 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.51 7.81 126 K 7.89 3.91 0.00 1.92 1.97 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.40 7.81 127 V 7.60 3.69 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 0.88 0.00 0.00 1.09 0.00 0.00 128 V 7.55 3.78 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.02 0.00 0.00 129 E 8.05 3.78 0.00 2.14 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 2.30 2.47 0.00 *131 I 7.73 3.98 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.85 0.00 0.00 132 E 8.12 3.90 0.00 2.05 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 0.00 2.29 2.22 0.00 133 E 8.09 3.94 0.00 2.07 1.86 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 2.26 2.20 0.00 134 R 7.21 4.10 0.00 1.86 1.77 0.00 3.28 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 135 K 8.71 4.21 0.00 1.91 1.79 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.38 7.81 136 G 8.96 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 0.00 137 E 8.70 3.95 0.00 1.90 1.87 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 2.28 2.39 0.00 138 T 8.07 4.46 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 1.14 0.00 0.00 139 P 0.00 4.15 0.00 2.01 1.99 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 140 G 8.92 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 0.00 141 K 7.63 3.82 0.00 1.61 2.01 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.37 7.81 142 E 8.13 4.02 0.00 1.95 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 2.29 2.33 0.00 143 R 7.24 4.09 0.00 1.97 1.97 0.00 3.16 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 *146 E 7.95 4.21 0.00 2.05 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 2.26 2.29 0.00 147 V 7.87 3.53 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.09 0.00 0.00 148 A 8.04 3.44 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 0.00 149 I 7.59 3.64 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.17 0.90 0.00 0.00 150 D 8.08 4.30 0.00 2.72 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 0.00 151 R 7.88 3.78 0.00 0.95 1.63 0.00 3.34 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.35 0.00 152 I 7.61 3.61 1.82 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 1.52 0.75 0.91 0.00 0.00 153 A 7.61 3.97 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 0.00 154 Q 8.15 4.06 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 155 L 8.51 4.17 0.00 1.62 1.74 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.04 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 7.47 4.30 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 * Residues marked with a * may have inaccurate shift predictions.