NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3494 8.2493 123.5914 52.7269 19.9200 177.0532 3 T 4.7833 8.3259 98.5033 58.7688 67.3675 170.8583 4 P 4.6423 0.0000 0.0000 62.4427 35.0368 177.0679 5 A 4.9717 7.5271 120.6437 50.4883 22.0461 175.0848 6 Y 4.9319 8.4951 115.9694 55.0171 42.5242 174.7136 *8 S 4.5353 8.4246 112.6599 58.9702 64.9493 172.8975 9 I 5.0184 8.5399 121.1586 59.9646 41.3664 174.3475 10 T 4.9714 8.9762 122.9207 61.8153 71.4525 173.2891 11 G 4.2643 9.9391 115.0268 44.7931 0.0000 174.9165 12 T 4.0237 8.5016 113.6690 64.0572 69.1811 176.0098 13 K 4.1780 8.2647 120.3130 58.7917 32.5848 177.7014 14 Q 4.2889 8.5672 114.5425 55.4042 29.6412 178.2479 15 G 3.6948 7.9480 107.4258 46.4304 0.0000 175.3814 16 L 4.6339 8.2795 128.8203 54.0481 41.4359 177.2579 17 I 3.9124 8.6592 128.9306 63.4299 37.5708 177.3206 18 T 4.3007 7.7849 108.9572 60.9021 69.1439 173.8103 19 A 4.2677 7.6374 126.4624 53.8290 18.2620 177.6366 20 G 4.2006 9.0398 111.2204 46.3650 0.0000 173.9711 21 A 4.4405 8.1532 122.3077 52.3005 19.9229 178.7370 22 F 5.0658 8.0500 118.9632 56.2927 38.8837 173.2339 23 T 4.9123 7.2933 114.6783 58.4292 73.7138 174.6164 24 E 3.7063 7.6544 119.6228 59.5991 29.1445 179.2518 25 D 4.2971 7.7940 116.8552 57.5199 41.0039 178.5111 26 S 4.2971 7.6530 112.1605 60.7133 62.9800 175.5799 27 V 4.3910 8.2806 113.2393 60.1108 33.3723 176.8620 28 G 3.8969 8.8130 108.1864 46.2263 0.0000 176.4235 29 N 4.4951 8.8085 122.5377 55.6703 38.8652 175.5537 30 T 4.1863 7.3546 112.1044 65.4344 68.5568 174.1584 31 Y 3.5573 7.9859 125.0017 57.1735 39.1376 174.1834 32 Q 4.2315 7.6440 127.7631 53.4911 31.8161 174.7561 33 E 4.0637 7.3131 121.7997 56.2754 30.3204 176.9437 34 G 3.9614 9.5093 107.6667 45.9554 0.0000 173.8626 35 H 4.8435 7.7289 114.3870 55.2093 30.2479 175.4519 36 E 4.8784 8.4757 120.0373 58.4283 29.6746 178.3812 37 D 5.2419 8.0883 116.9217 53.9095 41.2644 175.1259 38 Q 4.8951 8.0071 117.8074 54.4528 33.1137 177.1512 39 V 4.3125 7.5483 111.1260 61.7230 31.7039 178.3475 *41 V 4.0584 8.2813 129.5250 64.0517 31.5746 174.8306 42 Q 4.5267 9.0066 125.2158 55.6147 29.5858 175.4865 43 G 4.3537 7.4026 105.7264 45.3330 0.0000 171.9020 44 F 5.1142 8.5242 118.9246 57.4592 42.3963 172.6369 45 N 5.0925 8.2808 124.1436 52.7683 42.5931 172.3674 46 H 5.0688 8.6487 122.5734 55.7938 33.1196 172.2561 47 E 4.6224 8.1643 122.5918 54.9848 33.1910 173.5601 48 V 4.6509 8.3064 126.2234 61.0825 33.8370 174.2066 49 I 4.5700 8.5329 127.4324 59.2069 41.7973 174.3552 50 I 4.5639 8.0719 127.2490 59.0143 37.6226 174.2065 51 P 4.1847 0.0000 0.0000 65.0162 31.4503 177.0344 *63 R 4.1978 7.5522 112.3543 55.9112 30.5498 174.8947 64 V 4.3907 8.1106 117.3947 60.4991 34.2989 174.2562 65 H 4.5473 8.3297 125.2850 55.5991 29.3518 175.1005 66 K 4.6399 8.3882 120.8598 53.7523 34.6514 174.5995 67 P 5.0095 0.0000 0.0000 63.1532 32.3172 176.3345 68 V 4.0336 9.0974 123.2992 62.7591 33.0488 174.9786 69 V 4.8246 8.6765 128.0395 61.2542 33.9004 174.6346 70 I 5.2319 8.4543 121.6656 59.0793 40.8899 174.5277 71 T 5.3084 8.1803 117.8144 61.9241 72.6943 173.5347 72 K 4.6636 9.1914 123.7381 56.0424 36.7329 175.1595 73 V 4.9490 8.1908 112.7934 59.6100 34.2061 176.1605 74 F 4.4168 8.9980 121.4369 58.6055 39.0350 175.2556 75 D 4.7949 8.8152 121.7682 51.7540 41.6665 175.3628 76 K 3.9681 8.4149 118.7046 60.0359 32.2619 179.3975 77 A 4.1736 8.2614 120.8428 54.5616 18.2724 179.4414 78 S 4.0255 7.8914 113.9876 61.8002 63.0977 175.4988 79 P 4.2966 0.0000 0.0000 65.1936 30.9907 178.7298 80 L 4.0629 7.6935 117.8389 57.6044 41.7031 179.1478 81 L 4.0332 8.3432 119.4461 57.5129 41.4520 179.4680 82 L 3.9299 7.9370 118.9146 57.7122 41.5563 179.3582 83 A 3.9503 7.9463 120.2517 54.9459 18.3761 179.4624 84 A 3.8816 8.0845 119.3437 55.2983 18.4940 179.2624 85 L 3.8337 8.3153 119.3351 58.8358 41.9605 179.4613 86 T 3.9658 8.1758 109.0635 64.0107 68.8149 175.5726 87 S 4.5221 7.9780 115.3572 57.5158 63.6594 174.4015 88 G 3.8615 7.8356 110.3459 46.2846 0.0000 173.3248 89 E 4.0185 7.8281 120.5605 55.9698 30.2134 176.4942 90 R 4.2806 8.6788 127.4574 56.2575 31.9261 174.8175 91 L 4.7031 9.5266 127.3755 53.7254 42.8499 177.0646 92 T 4.0688 8.3748 122.2587 66.3620 69.6132 174.4598 93 K 5.0373 7.8616 121.0524 54.7862 36.1873 174.5966 94 V 4.6081 8.4888 126.9932 60.9636 34.1124 173.7000 95 E 4.9039 8.9223 128.5326 54.5708 32.1938 174.7085 96 I 4.3179 9.1355 129.4575 60.0304 39.0112 174.7351 97 Q 4.8631 9.0450 127.4524 54.0522 30.8833 174.8407 98 W 4.9573 9.0290 124.4942 55.5719 31.0298 175.0645 99 Y 5.6495 8.8782 121.7898 56.6027 40.6805 174.9990 100 R 4.7898 8.8241 117.1879 55.1605 33.7266 174.0062 101 T 4.7391 8.6186 117.0402 62.6172 69.3588 175.4168 102 S 4.4924 9.2773 122.0108 57.3186 64.2937 174.9688 103 A 3.9082 8.5281 122.4464 55.0675 18.0637 178.0849 104 A 4.4041 8.0073 116.5028 52.2176 18.7570 177.8043 105 G 3.9595 8.0919 104.8384 46.8581 0.0000 173.8844 106 T 4.7614 7.5096 115.4566 61.0840 71.5253 173.7725 107 Q 4.8425 8.7276 124.4574 56.3121 30.0790 175.1590 108 E 4.9062 9.6745 121.2196 54.7445 33.7693 174.0310 109 H 4.3060 8.9566 122.0978 56.2837 29.6002 174.0247 110 Y 4.7510 8.9790 123.5466 56.9414 40.6486 174.7603 111 Y 4.6367 7.1810 120.0047 56.0282 43.0098 173.7392 112 T 5.1809 8.6525 120.9984 62.2645 72.6039 172.7906 113 T 4.9188 9.1369 123.5501 61.9091 71.1582 173.9390 114 V 4.6434 8.1331 125.3678 61.1560 35.0927 173.8845 115 L 4.7659 8.8923 128.1757 53.3915 43.9024 175.2033 116 E 4.8541 8.7634 122.4387 55.0757 31.6721 175.6918 117 D 4.6082 8.2024 122.8016 55.3679 38.6942 172.6953 118 A 4.8284 8.2992 121.9837 51.2168 21.9286 177.8131 119 I 4.9496 8.5856 119.5916 59.4031 41.2987 175.0764 120 I 4.1931 8.5626 127.8139 61.5139 37.1365 176.1616 121 V 4.2886 8.8806 120.5158 61.2333 33.3186 175.5116 122 D 4.4903 7.3810 118.2240 53.2868 44.4745 174.0509 123 I 5.0821 8.3343 125.4959 59.3618 41.2407 174.4432 124 K 4.5754 9.0180 127.1397 54.7723 34.9684 174.1852 125 D 5.5389 8.9256 127.6912 52.7856 42.1869 174.6082 126 Y 4.0975 8.6351 126.1248 56.8514 41.5677 174.8128 *128 H 4.6561 9.1835 114.2551 55.8667 32.0675 172.9648 *138 F 4.4045 7.7392 123.8899 57.9891 39.6629 174.9181 139 T 4.2465 8.3836 122.1662 64.0514 69.8618 174.4733 140 H 4.4299 7.7600 118.6110 54.2789 29.7504 174.0547 141 L 5.2182 8.2666 123.3985 52.9652 45.5316 175.9568 142 E 5.0271 8.9626 121.9184 55.6189 33.1504 173.4333 143 D 5.3814 9.2623 127.9133 53.2080 43.1193 175.8064 144 V 4.8206 8.5607 122.4721 61.3153 34.9024 173.6686 145 H 5.3783 8.9855 124.5582 53.9871 31.6834 172.9047 146 F 5.5128 9.4981 122.4185 55.9669 41.9707 175.2839 147 T 4.5989 8.7039 114.1076 60.8405 71.3399 172.6816 148 Y 5.0976 6.3856 117.6683 57.1832 40.0789 174.3492 149 R 4.2326 8.8861 121.0155 58.8120 31.5377 175.8844 150 K 5.2111 8.0472 117.7486 55.2545 36.0375 174.4273 151 I 4.6896 8.6966 124.1423 59.3812 41.9133 173.9491 152 T 4.5610 7.9680 124.0086 61.3524 72.4784 172.6780 153 W 5.0544 9.4202 126.0358 55.1827 31.9451 175.0174 154 T 4.8365 8.2248 120.7434 61.8875 72.1102 172.3465 155 H 4.8368 9.0733 126.8560 55.1852 30.6925 175.4124 156 E 4.0927 9.8540 126.5324 57.8606 29.2934 177.8295 157 V 4.2015 8.1027 118.0004 63.8488 33.2991 176.2629 158 S 4.3969 8.3756 112.8781 58.0964 63.2994 174.5675 159 G 3.8910 7.8140 108.4370 46.3581 0.0000 173.4582 160 T 4.6651 7.6021 109.4226 60.5807 71.0254 173.5172 161 S 5.0388 8.0271 116.9217 57.7160 66.4958 172.8503 162 G 4.3904 8.6799 104.8439 46.1509 0.0000 172.6097 163 S 5.1061 8.6331 115.0037 57.2699 66.6327 171.9554 164 D 4.6320 8.8110 117.8949 54.0046 45.1724 173.6504 165 D 5.3455 8.7138 121.9766 52.1223 42.5588 176.3109 166 W 3.9664 8.5987 132.6604 58.2429 31.5846 175.1001 167 R 4.6010 7.8362 125.0777 55.7992 33.1178 175.2639 168 S 4.5848 9.0273 120.6559 58.8778 62.2580 168.6735 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 A 8.25 4.35 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 3 T 8.33 4.78 4.36 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 1.26 0.00 0.00 4 P 0.00 4.64 0.00 1.48 1.90 0.00 3.47 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 5 A 7.53 4.97 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 6 Y 8.50 4.93 0.00 2.79 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 *8 S 8.42 4.54 0.00 3.92 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 9 I 8.54 5.02 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.81 0.95 0.00 0.00 10 T 8.98 4.97 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 11 G 9.94 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.50 4.02 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 K 8.26 4.18 0.00 2.07 1.89 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.51 7.81 14 Q 8.57 4.29 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 15 G 7.95 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.28 4.63 0.00 1.74 1.59 1.00 0.97 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 17 I 8.66 3.91 1.90 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 1.37 0.81 0.95 0.00 0.00 18 T 7.78 4.30 4.26 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 0.00 0.00 0.00 1.25 0.00 0.00 19 A 7.64 4.27 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 20 G 9.04 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 0.00 0.00 0.00 21 A 8.15 4.44 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 22 F 8.05 5.07 0.00 3.36 3.26 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 0.00 0.00 0.00 0.00 23 T 7.29 4.91 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 1.25 0.00 0.00 24 E 7.65 3.71 0.00 1.72 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 2.07 1.47 0.00 25 D 7.79 4.30 0.00 2.59 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 26 S 7.65 4.30 0.00 3.85 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 27 V 8.28 4.39 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 1.10 0.00 0.00 0.77 0.00 0.00 28 G 8.81 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 0.00 0.00 0.00 29 N 8.81 4.50 0.00 2.67 2.82 0.00 0.00 6.86 7.70 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 30 T 7.35 4.19 4.52 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 1.82 0.00 0.00 31 Y 7.99 3.56 0.00 2.82 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 32 Q 7.64 4.23 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 33 E 7.31 4.06 0.00 2.12 1.93 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 2.16 2.19 0.00 34 G 9.51 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 35 H 7.73 4.84 0.00 2.78 2.64 0.00 5.82 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 36 E 8.48 4.88 0.00 2.13 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 2.51 2.75 0.00 37 D 8.09 5.24 0.00 2.66 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 38 Q 8.01 4.90 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 39 V 7.55 4.31 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 0.96 0.00 0.00 0.95 0.00 0.00 *41 V 8.28 4.06 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 0.92 0.00 0.00 0.86 0.00 0.00 42 Q 9.01 4.53 0.00 1.77 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.43 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 43 G 7.40 4.35 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 0.00 44 F 8.52 5.11 0.00 3.04 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 45 N 8.28 5.09 0.00 2.75 2.50 0.00 0.00 6.34 8.54 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 46 H 8.65 5.07 0.00 2.95 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.16 4.62 0.00 2.02 1.67 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 2.22 2.25 0.00 48 V 8.31 4.65 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 0.73 0.00 0.00 0.84 0.00 0.00 49 I 8.53 4.57 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 1.19 1.29 0.85 0.00 0.00 50 I 8.07 4.56 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 0.89 0.00 0.00 51 P 0.00 4.18 0.00 2.02 2.09 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 *63 R 7.55 4.20 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 64 V 8.11 4.39 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 0.95 0.00 0.00 0.87 0.00 0.00 65 H 8.33 4.55 0.00 1.61 2.80 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.39 4.64 0.00 1.69 1.76 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.51 7.81 67 P 0.00 5.01 0.00 2.12 2.28 0.00 3.84 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 68 V 9.10 4.03 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 0.89 0.00 0.00 0.91 0.00 0.00 69 V 8.68 4.82 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 0.76 0.00 0.00 0.90 0.00 0.00 70 I 8.45 5.23 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.93 1.11 0.00 0.00 71 T 8.18 5.31 4.38 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 1.35 0.00 0.00 72 K 9.19 4.66 0.00 1.75 1.88 0.00 1.33 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.44 7.81 73 V 8.19 4.95 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 0.89 0.00 0.00 1.10 0.00 0.00 74 F 9.00 4.42 0.00 2.80 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 75 D 8.82 4.79 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.41 3.97 0.00 1.83 1.94 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.48 7.81 77 A 8.26 4.17 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 78 S 7.89 4.03 0.00 3.93 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 79 P 0.00 4.30 0.00 2.14 2.08 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 80 L 7.69 4.06 0.00 1.87 1.83 0.98 0.73 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 81 L 8.34 4.03 0.00 1.64 1.69 0.95 0.58 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 82 L 7.94 3.93 0.00 1.81 1.67 0.83 0.92 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 83 A 7.95 3.95 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 84 A 8.08 3.88 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 85 L 8.32 3.83 0.00 1.82 1.83 0.86 0.79 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 86 T 8.18 3.97 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 87 S 7.98 4.52 0.00 4.05 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 88 G 7.84 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 0.00 0.00 0.00 89 E 7.83 4.02 0.00 2.02 1.88 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 2.33 2.27 0.00 90 R 8.68 4.28 0.00 1.92 1.76 0.00 3.20 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 91 L 9.53 4.70 0.00 1.52 1.61 1.14 0.66 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 92 T 8.37 4.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 93 K 7.86 5.04 0.00 1.73 1.54 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.35 7.81 94 V 8.49 4.61 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 0.29 0.00 0.00 0.63 0.00 0.00 95 E 8.92 4.90 0.00 1.88 1.72 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 2.15 2.18 0.00 96 I 9.14 4.32 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.05 0.00 0.00 97 Q 9.04 4.86 0.00 2.04 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.83 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 98 W 9.03 4.96 0.00 2.91 2.95 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 99 Y 8.88 5.65 0.00 3.10 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 0.00 100 R 8.82 4.79 0.00 1.66 1.66 0.00 2.40 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 101 T 8.62 4.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 102 S 9.28 4.49 0.00 4.03 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.53 3.91 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 0.00 104 A 8.01 4.40 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 0.00 105 G 8.09 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 0.00 106 T 7.51 4.76 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 1.26 0.00 0.00 107 Q 8.73 4.84 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 108 E 9.67 4.91 0.00 2.01 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 2.24 2.34 0.00 109 H 8.96 4.31 0.00 2.57 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.98 4.75 0.00 3.05 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 0.00 111 Y 7.18 4.64 0.00 1.56 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 0.00 0.00 0.00 112 T 8.65 5.18 4.17 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 1.18 0.00 0.00 113 T 9.14 4.92 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 114 V 8.13 4.64 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.88 0.00 0.00 115 L 8.89 4.77 0.00 1.39 1.41 0.74 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.76 4.85 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 2.18 2.17 0.00 117 D 8.20 4.61 0.00 2.85 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 0.00 0.00 0.00 118 A 8.30 4.83 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 0.00 119 I 8.59 4.95 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.67 0.86 0.00 0.00 120 I 8.56 4.19 1.80 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 0.54 0.74 0.00 0.00 121 V 8.88 4.29 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 0.63 0.00 0.00 0.96 0.00 0.00 122 D 7.38 4.49 0.00 2.52 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 0.00 0.00 0.00 123 I 8.33 5.08 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.85 0.00 0.00 124 K 9.02 4.58 0.00 1.82 1.73 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.26 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.49 1.40 7.81 125 D 8.93 5.54 0.00 2.63 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 0.00 126 Y 8.64 4.10 0.00 3.14 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 *128 H 9.18 4.66 0.00 3.16 3.35 0.00 5.95 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 F 7.74 4.40 0.00 3.02 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 0.00 139 T 8.38 4.25 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 1.21 0.00 0.00 140 H 7.76 4.43 0.00 2.65 1.56 0.00 5.58 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.27 5.22 0.00 0.54 0.98 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.96 5.03 0.00 1.99 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 2.18 2.35 0.00 143 D 9.26 5.38 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.56 4.82 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 0.37 0.00 0.00 0.89 0.00 0.00 145 H 8.99 5.38 0.00 2.99 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.50 5.51 0.00 3.00 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 0.00 147 T 8.70 4.60 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 0.95 0.00 0.00 148 Y 6.39 5.10 0.00 3.07 2.94 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 0.00 149 R 8.89 4.23 0.00 1.93 2.13 0.00 3.12 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 150 K 8.05 5.21 0.00 1.88 1.58 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.69 7.81 151 I 8.70 4.69 0.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.92 0.71 0.00 0.00 152 T 7.97 4.56 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 153 W 9.42 5.05 0.00 3.21 2.81 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 0.00 154 T 8.22 4.84 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 1.15 0.00 0.00 155 H 9.07 4.84 0.00 3.36 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 9.85 4.09 0.00 1.68 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 2.05 1.82 0.00 157 V 8.10 4.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.01 0.00 0.00 158 S 8.38 4.40 0.00 3.67 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 0.00 159 G 7.81 3.89 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 0.00 0.00 0.00 160 T 7.60 4.67 4.26 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 0.00 0.00 0.00 1.20 0.00 0.00 161 S 8.03 5.04 0.00 3.90 3.82 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 0.00 162 G 8.68 4.39 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 0.00 163 S 8.63 5.11 0.00 3.78 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 0.00 164 D 8.81 4.63 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.71 5.35 0.00 2.67 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 0.00 166 W 8.60 3.97 0.00 3.27 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 0.00 167 R 7.84 4.60 0.00 1.86 1.79 0.00 3.23 0.00 0.00 3.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 168 S 9.03 4.58 0.00 3.90 4.17 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 * Residues marked with a * may have inaccurate shift predictions.