NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5582 8.3349 115.4331 57.8277 64.4244 173.4381 1 L 4.0080 8.4879 119.7803 57.1131 41.6472 177.1746 2 Y 4.3160 8.3718 118.9720 60.1645 40.0487 174.7977 3 D 4.7964 8.4921 119.8998 51.6614 41.7989 173.3936 4 P 4.4702 0.0000 0.0000 64.2698 31.8976 177.1499 5 A 5.0184 8.1668 120.6567 51.6149 19.6715 178.0707 6 E 4.2926 8.4864 118.2322 59.8882 29.4320 179.5031 7 K 4.2412 8.1295 116.5204 58.8136 32.9869 177.3454 8 Y 4.0835 8.3288 116.8842 59.3722 38.0861 175.4176 9 F 4.9423 8.0193 118.0445 55.7405 41.4299 174.7869 10 N 5.0821 8.6204 119.2284 52.6459 37.9742 173.9902 11 C 4.5670 8.0790 113.3449 57.4205 31.7851 173.4897 12 T 4.2350 8.4084 111.3988 61.4269 70.4462 175.3243 13 D 4.5126 8.5781 121.1963 57.6091 40.8585 178.9112 14 I 3.8791 7.8050 118.7435 63.9856 38.0401 177.7818 15 Q 4.1189 7.9591 119.2346 58.9947 28.4651 178.7545 16 R 3.7121 8.0343 119.5163 59.1637 29.9939 178.4154 17 A 3.9406 8.1001 120.6219 55.1570 18.4017 179.6427 18 F 4.0158 8.4949 116.3404 60.5376 39.0167 177.5358 19 F 4.3304 8.5993 120.3876 61.6574 39.2367 177.0941 20 E 3.8027 8.6200 118.1746 59.2005 29.3247 179.1819 21 A 4.0525 8.2113 121.0654 54.9100 18.3238 179.9138 22 G 3.5104 8.1194 104.1468 48.0253 0.0000 175.6787 23 I 3.5516 7.3696 122.9185 64.0969 37.1149 178.6715 24 K 3.9655 7.8765 118.8457 59.4186 31.8566 179.5478 25 L 4.1323 7.9151 119.0064 57.5623 41.5853 179.6438 26 G 3.6782 8.3571 105.6938 47.7450 0.0000 175.5595 27 A 3.9932 8.3149 123.7197 54.9023 18.5210 179.6908 28 I 3.9485 7.9587 118.3600 64.6044 36.9387 178.4550 29 F 3.9706 8.3216 121.2770 61.8091 39.0760 176.9238 30 H 4.2696 8.1767 114.2835 58.5093 28.6185 177.3260 31 Q 3.8346 8.3308 121.3621 58.6094 29.0051 176.8195 32 Y 4.5816 7.5977 116.3031 57.6886 39.1315 176.1492 33 T 3.9142 6.7080 110.1417 62.9092 69.2222 174.1434 34 G 4.0360 8.9265 112.8450 45.4089 0.0000 174.2968 35 I 3.9815 7.4498 121.6825 60.6231 38.1760 173.9515 36 P 5.0612 0.0000 0.0000 63.0617 31.9929 176.0773 37 V 4.8936 9.5685 117.0871 59.9602 36.0605 174.9418 38 N 4.9505 9.2004 120.4456 52.0810 39.6565 174.8204 39 S 4.2496 8.7093 111.4493 61.5088 63.2227 175.2792 40 E 4.1386 8.6060 121.0524 58.4925 29.3848 177.1074 41 N 4.9373 7.9523 112.0684 51.4647 39.0926 175.7647 42 A 3.9659 8.1051 122.2656 55.6727 18.3997 180.1975 43 S 4.0669 7.9647 113.1798 61.9837 62.9724 176.4436 44 M 4.0481 8.0497 120.1951 58.3273 31.9763 177.8320 45 A 4.0256 8.2845 121.3108 55.2093 18.5977 179.2307 46 E 3.8095 7.9763 116.6353 59.6404 29.5205 179.3047 47 E 3.8951 8.0838 118.9906 59.3511 29.6653 178.6086 48 F 4.2143 8.5935 121.0592 61.3309 39.3437 177.1725 49 I 2.9967 7.5855 119.4428 63.9505 36.7419 178.0356 50 E 3.8412 7.9909 119.3821 59.7733 29.1474 179.8883 51 R 3.8767 7.8898 116.6242 59.1661 29.9798 179.0556 52 S 4.0770 7.9185 115.4575 61.7641 62.7498 176.8581 53 T 3.9184 7.9654 118.6695 66.8222 67.9630 176.7114 54 M 4.1321 8.0079 119.8824 57.6753 32.0057 177.8311 55 I 4.0530 7.0858 109.8364 60.7417 38.8305 175.8345 56 Q 4.3655 7.3062 120.6495 54.0090 30.0703 173.3635 57 P 3.8058 0.0000 0.0000 63.6937 31.8397 176.8485 58 F 3.9948 8.1441 119.0656 58.0293 36.3570 174.3387 59 V 4.3543 7.2248 120.3960 62.2254 31.5451 175.0885 60 E 4.3901 9.1604 129.4976 58.2517 30.6654 175.6941 61 N 5.0265 7.7336 115.5269 52.3875 42.7199 173.4255 62 V 4.9215 8.2092 123.1606 61.3438 34.9282 174.3132 63 R 4.8672 9.1519 126.6372 54.4421 33.1588 174.4693 64 I 4.9405 9.1086 125.1702 59.5422 39.7757 175.2576 65 S 4.8675 9.0954 122.6167 56.7977 66.0393 172.9623 66 I 4.6885 9.3181 126.5909 59.9593 38.4511 175.8219 67 N 4.7520 9.1572 127.1348 51.6908 37.6476 175.6704 68 N 4.7202 8.2383 127.7739 51.9873 37.6840 175.3007 *73 S 4.0740 8.5449 111.7299 56.9259 63.4934 173.5663 74 G 4.4077 8.4417 114.0001 43.6857 0.0000 173.9221 75 T 3.8452 8.0715 116.8786 66.6674 68.4095 176.4860 76 Y 4.9830 7.3012 116.8560 58.2249 38.8328 176.1948 77 S 4.6907 7.7627 113.2092 57.6343 62.6607 173.1841 78 Y 5.1009 7.1274 116.4136 56.1116 41.5104 175.2988 79 S 4.7438 9.1083 115.5787 56.4544 67.0963 173.8166 80 S 4.6643 8.4961 118.6424 58.0499 63.5310 173.8094 81 L 4.0188 9.1233 128.2828 55.9656 43.0191 175.6580 82 N 5.3198 8.4734 122.9013 50.4480 40.7429 174.9435 83 E 4.1913 8.8054 115.7541 58.9487 29.6923 178.2230 84 K 3.4509 8.0051 118.2156 57.9876 32.6126 177.6414 85 M 4.1759 8.0460 118.2524 55.9869 32.7943 175.2562 86 L 4.8187 7.7676 120.8212 53.9035 43.2656 175.2530 87 H 5.2870 9.2141 126.2169 54.3565 32.9358 172.2554 88 A 5.1228 8.6068 125.8807 50.2788 22.9930 174.6084 89 E 4.8788 9.3757 120.6109 54.5077 33.3867 174.9907 90 V 4.5927 8.8335 125.2581 60.8966 34.4959 174.0401 91 L 4.7551 9.1563 131.6468 54.2116 43.2459 175.1200 92 I 4.8335 8.7092 128.5917 60.0131 39.2332 174.5093 93 N 5.3249 9.3007 125.7752 52.1498 41.1185 173.2552 94 Y 4.2697 9.1383 129.2113 56.1842 39.7391 174.9608 95 N 3.5950 9.8907 129.2929 54.4655 37.8311 175.2114 96 G 3.9597 8.6054 105.3181 45.0897 0.0000 174.0505 97 K 4.3657 7.7553 120.4036 55.3785 33.1620 175.6264 98 K 5.1605 8.5061 122.3310 54.5316 35.6265 175.1293 99 V 4.4611 8.5227 123.9983 60.8684 34.9470 173.8438 100 L 4.7640 8.8832 130.9750 53.7991 43.1554 175.2602 101 G 4.1519 8.8612 115.2818 45.1718 0.0000 171.9643 102 V 4.7254 8.6608 124.1256 60.5985 35.1142 173.6864 103 L 5.1214 8.6846 130.1477 53.4970 44.0939 174.6355 104 N 5.3515 9.4254 125.2039 52.1762 42.8188 172.5983 105 Y 4.6345 9.0007 127.9144 57.8339 40.3848 173.5417 106 D 4.7560 8.5352 127.8695 52.7470 41.9800 176.9787 107 E 3.9833 8.9394 126.9009 59.3260 30.0230 178.8787 108 G 3.7208 8.1549 106.8282 48.5451 0.0000 174.6804 109 L 3.9785 8.6368 119.1252 54.9424 42.3385 176.2563 110 D 4.2225 7.5728 116.6569 53.2820 39.9693 172.5084 111 Y 4.7816 6.4261 118.2111 55.9051 42.8925 172.6904 112 P 4.7320 0.0000 0.0000 62.0438 30.8674 174.7310 113 V 4.0001 8.8164 128.1285 63.7292 32.8109 174.0599 114 M 5.3609 8.8455 127.6355 53.8481 33.9268 174.6353 115 Y 5.1521 9.0253 120.9691 55.9734 42.4297 173.5274 116 A 5.1378 8.5837 119.6472 50.8043 22.3936 175.8505 117 K 4.8250 8.7261 119.3482 54.2824 36.7839 175.6445 118 E 4.4043 9.0638 125.0462 56.5821 30.3351 175.9164 119 V 4.5882 8.5413 119.0398 59.5762 36.0523 175.8708 120 L 4.2727 8.3292 120.0197 55.1326 41.7942 176.8736 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 0 S 8.33 4.56 0.00 4.10 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 0.00 1 L 8.49 4.01 0.00 1.81 1.84 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.37 4.32 0.00 2.88 3.05 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 0.00 3 D 8.49 4.80 0.00 2.97 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 4 P 0.00 4.47 0.00 2.16 2.18 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 5 A 8.17 5.02 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 6 E 8.49 4.29 0.00 2.36 2.66 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 0.00 2.60 2.40 0.00 7 K 8.13 4.24 0.00 1.83 1.99 0.00 1.44 0.00 0.00 1.67 0.00 0.00 2.66 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.12 7.81 8 Y 8.33 4.08 0.00 2.98 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 9 F 8.02 4.94 0.00 3.15 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 10 N 8.62 5.08 0.00 2.76 2.84 0.00 0.00 6.04 7.68 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 11 C 8.08 4.57 0.00 3.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.41 4.23 4.28 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 1.27 0.00 0.00 13 D 8.58 4.51 0.00 2.79 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 14 I 7.80 3.88 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 1.02 0.00 0.00 15 Q 7.96 4.12 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 R 8.03 3.71 0.00 1.42 1.56 0.00 2.68 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 17 A 8.10 3.94 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 18 F 8.49 4.02 0.00 3.27 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 19 F 8.60 4.33 0.00 3.19 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 20 E 8.62 3.80 0.00 2.12 2.03 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 2.46 2.37 0.00 21 A 8.21 4.05 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 22 G 8.12 3.51 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 0.00 23 I 7.37 3.55 1.81 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.07 0.81 0.00 0.00 24 K 7.88 3.97 0.00 1.83 1.83 0.00 1.51 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 25 L 7.92 4.13 0.00 1.72 1.71 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 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 27 A 8.31 3.99 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 28 I 7.96 3.95 1.97 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 1.52 1.20 1.02 0.00 0.00 29 F 8.32 3.97 0.00 3.26 3.03 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 30 H 8.18 4.27 0.00 3.34 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.33 3.83 0.00 1.72 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 1.75 1.44 0.00 32 Y 7.60 4.58 0.00 3.15 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 33 T 6.71 3.91 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 0.51 0.00 0.00 34 G 8.93 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 35 I 7.45 3.98 2.02 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.58 0.94 0.00 0.00 36 P 0.00 5.06 0.00 1.74 1.94 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 1.87 1.88 0.00 37 V 9.57 4.89 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 0.79 0.00 0.00 0.99 0.00 0.00 38 N 9.20 4.95 0.00 2.98 3.09 0.00 0.00 6.56 6.73 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 39 S 8.71 4.25 0.00 4.01 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 40 E 8.61 4.14 0.00 2.07 2.03 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 2.34 2.25 0.00 41 N 7.95 4.94 0.00 2.78 2.94 0.00 0.00 6.17 7.38 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 42 A 8.11 3.97 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 43 S 7.96 4.07 0.00 3.88 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 44 M 8.05 4.05 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 45 A 8.28 4.03 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 46 E 7.98 3.81 0.00 2.24 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 0.00 2.32 2.50 0.00 47 E 8.08 3.90 0.00 2.11 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 2.33 2.39 0.00 48 F 8.59 4.21 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.59 3.00 1.55 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.04 0.48 0.00 0.00 50 E 7.99 3.84 0.00 2.15 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 2.32 2.41 0.00 51 R 7.89 3.88 0.00 1.68 1.95 0.00 3.20 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 52 S 7.92 4.08 0.00 3.41 3.66 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 0.00 0.00 0.00 0.00 53 T 7.97 3.92 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 1.18 0.00 0.00 54 M 8.01 4.13 0.00 1.94 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 55 I 7.09 4.05 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.50 0.91 0.00 0.00 56 Q 7.31 4.37 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.03 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 57 P 0.00 3.81 0.00 1.41 1.08 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 58 F 8.14 3.99 0.00 3.33 3.43 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 59 V 7.22 4.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.05 0.00 0.00 60 E 9.16 4.39 0.00 2.01 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 2.28 2.26 0.00 61 N 7.73 5.03 0.00 2.83 2.56 0.00 0.00 6.57 7.71 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 62 V 8.21 4.92 2.03 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 0.86 0.00 0.00 0.89 0.00 0.00 63 R 9.15 4.87 0.00 1.74 1.78 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 64 I 9.11 4.94 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.90 0.00 0.00 65 S 9.10 4.87 0.00 3.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 9.32 4.69 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.91 0.00 0.00 67 N 9.16 4.75 0.00 2.56 2.79 0.00 0.00 7.00 7.93 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 68 N 8.24 4.72 0.00 2.83 2.70 0.00 0.00 6.20 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 *73 S 8.54 4.07 0.00 3.88 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 74 G 8.44 4.41 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 0.00 75 T 8.07 3.85 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 1.11 0.00 0.00 76 Y 7.30 4.98 0.00 2.89 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 77 S 7.76 4.69 0.00 4.18 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.13 5.10 0.00 3.08 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 79 S 9.11 4.74 0.00 3.74 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 80 S 8.50 4.66 0.00 3.72 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 81 L 9.12 4.02 0.00 1.83 1.57 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.47 5.32 0.00 2.75 2.82 0.00 0.00 5.98 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 83 E 8.81 4.19 0.00 2.38 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 2.29 2.27 0.00 84 K 8.01 3.45 0.00 1.63 1.49 0.00 1.47 0.00 0.00 1.40 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.87 7.81 85 M 8.05 4.18 0.00 2.07 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 2.63 2.58 0.00 86 L 7.77 4.82 0.00 1.61 1.59 0.91 0.86 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 87 H 9.21 5.29 0.00 3.32 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.61 5.12 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 9.38 4.88 0.00 1.83 1.78 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 2.15 2.19 0.00 90 V 8.83 4.59 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 1.00 0.00 0.00 0.89 0.00 0.00 91 L 9.16 4.76 0.00 1.73 1.70 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.71 4.83 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.06 1.02 0.00 0.00 93 N 9.30 5.32 0.00 2.82 2.79 0.00 0.00 6.96 7.11 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 94 Y 9.14 4.27 0.00 2.75 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 95 N 9.89 3.60 0.00 2.17 2.76 0.00 0.00 7.35 7.98 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 96 G 8.61 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.76 4.37 0.00 2.05 1.78 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.61 7.81 98 K 8.51 5.16 0.00 1.84 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 99 V 8.52 4.46 1.76 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 0.50 0.00 0.00 0.05 0.00 0.00 100 L 8.88 4.76 0.00 1.73 1.48 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.86 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 0.00 0.00 0.00 102 V 8.66 4.73 0.68 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 0.89 0.00 0.00 0.61 0.00 0.00 103 L 8.68 5.12 0.00 1.78 1.49 1.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.43 5.35 0.00 2.97 2.80 0.00 0.00 6.40 7.43 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 0.00 105 Y 9.00 4.63 0.00 3.39 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 0.00 106 D 8.54 4.76 0.00 2.67 2.39 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 0.00 107 E 8.94 3.98 0.00 2.03 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 2.61 2.46 0.00 108 G 8.15 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 0.00 109 L 8.64 3.98 0.00 1.54 1.70 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.57 4.22 0.00 2.84 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 0.00 111 Y 6.43 4.78 0.00 3.03 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 0.00 112 P 0.00 4.73 0.00 1.93 2.25 0.00 2.27 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.99 0.00 113 V 8.82 4.00 2.31 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 1.05 0.00 0.00 1.09 0.00 0.00 114 M 8.85 5.36 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 115 Y 9.03 5.15 0.00 3.06 3.03 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 0.00 116 A 8.58 5.14 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.73 4.83 0.00 1.74 1.71 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.58 7.81 118 E 9.06 4.40 0.00 2.10 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 2.31 2.53 0.00 119 V 8.54 4.59 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 0.79 0.00 0.00 0.92 0.00 0.00 120 L 8.33 4.27 0.00 1.62 1.56 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.