NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2469 0.0000 0.0000 62.5372 32.5542 175.4991 3 R 4.0985 8.4159 121.2715 54.4729 30.2157 174.7554 4 A 4.4327 8.0771 130.6737 50.2543 18.5435 176.1053 5 K 4.2284 7.9757 120.0325 56.5881 33.6741 178.0544 6 T 3.8655 8.5081 116.5738 66.6452 67.7919 176.4733 7 G 3.8074 8.0083 110.5960 46.0400 0.0000 175.3446 8 V 3.8731 8.4328 118.2261 64.6127 31.1239 178.4342 9 V 3.5135 7.1775 118.5664 66.0868 31.2947 178.0230 10 R 3.8212 7.9237 117.4001 59.5471 30.1305 177.8498 11 R 3.9089 8.1285 118.0130 59.9331 29.8472 178.0095 12 R 3.9055 7.9335 117.0854 59.4462 29.6928 179.1883 13 K 3.9860 7.8941 118.1000 59.6387 32.0926 179.3854 14 H 4.2069 8.3530 116.9273 58.7729 28.7868 177.9759 15 K 4.0625 8.4844 120.8791 59.6216 32.1398 178.9545 16 K 3.9395 8.0050 120.2788 59.0356 32.2973 178.0171 17 I 4.1183 7.2934 119.3113 63.3595 37.6082 177.8388 18 L 3.9892 7.7927 119.5702 57.6023 41.3810 179.5905 19 K 3.8631 8.0097 119.5641 59.5910 31.9881 178.8642 20 L 4.0168 7.6104 117.4126 57.0455 41.7803 178.3525 21 A 3.6896 7.2798 118.9331 50.3664 19.2226 176.6485 22 K 3.8141 6.9407 119.2078 59.1661 32.4498 177.7934 23 G 3.9847 8.7669 111.0971 45.5220 0.0000 173.4020 24 Y 4.7531 7.2079 116.7657 57.3540 38.7746 175.4135 25 W 4.3285 8.9388 132.3242 58.3588 32.6519 176.5385 26 G 3.7636 7.9365 113.3058 46.4221 0.0000 175.9903 27 L 4.1395 8.5622 120.5334 57.1744 42.0895 179.1586 28 R 3.8173 8.2647 118.1546 58.1252 30.0411 177.8275 29 S 4.8400 8.1128 110.3060 57.7946 63.9414 174.4723 30 K 4.2618 7.8649 119.4035 57.7918 34.2624 176.2144 31 S 4.2265 8.8679 118.3823 58.0433 61.8408 175.0985 *32 F 4.0821 8.6969 125.9354 58.3059 37.7930 171.5340 33 R 4.5236 8.3087 117.0241 58.2365 32.9410 177.9314 34 K 3.8556 8.3556 116.8487 59.8332 32.0290 179.1011 35 A 4.5932 7.8789 121.4996 54.6689 18.4382 179.0668 36 R 3.5641 7.9076 116.3049 59.7997 29.7384 178.1665 37 E 3.6141 8.2276 118.2727 59.6350 29.3313 179.6821 38 T 3.6824 7.9031 115.4863 66.7209 68.5903 176.7070 39 L 4.0505 8.1162 121.0099 57.7965 41.4445 179.6034 40 F 4.5160 8.0330 117.5931 60.6683 38.8359 177.5777 41 A 3.5818 7.5929 119.5065 54.9586 18.2108 179.2291 42 A 4.1119 8.1387 119.7653 55.6329 18.3031 180.1463 43 G 3.6537 8.6676 104.2695 48.0416 0.0000 175.5918 44 N 4.5126 7.8991 118.3676 55.8846 38.4491 177.3211 45 Y 4.2768 8.2824 118.6116 60.9556 37.9802 177.9553 46 A 4.3845 8.2071 121.7005 55.5240 18.6102 178.6815 47 Y 4.1562 7.8928 117.3489 61.1530 38.8886 178.5615 48 A 3.9892 8.1973 121.2905 55.5101 18.5097 179.1945 49 H 4.4212 9.2152 115.0898 58.0358 28.5365 178.2764 50 R 3.9276 7.9503 120.8123 59.2445 29.9386 178.7881 51 K 3.8117 7.1930 115.4344 59.3112 32.1291 179.1809 52 R 3.9632 7.7697 118.5825 59.3040 30.1411 178.0011 53 R 4.5117 7.8887 120.1111 59.0541 29.5475 178.2003 54 K 4.1413 7.9783 117.1334 58.5180 31.8969 178.3095 55 R 4.0678 8.6038 118.1967 56.5809 31.5125 177.6078 56 D 4.1753 7.8661 118.5461 56.0906 40.7001 177.8669 57 F 3.7113 7.3788 117.4126 58.7658 39.9770 177.7150 58 R 3.9587 6.9754 117.3272 60.3176 29.7606 178.1715 59 R 4.0825 7.9204 117.9205 57.1267 30.0830 178.6870 60 L 3.7335 7.7673 119.8658 58.9152 42.5081 179.0162 61 W 4.5673 8.1129 118.0768 59.8884 28.9267 178.4028 62 I 3.8369 8.0088 118.1961 64.8690 36.9162 178.1575 63 V 3.5765 7.9807 119.1792 66.1827 31.2693 178.0333 64 R 4.1401 7.9760 114.9307 58.5507 29.7141 178.4877 65 I 3.7169 8.5089 121.2482 64.4321 37.1445 177.3649 66 N 4.5178 9.0041 117.6418 57.7302 38.5556 175.8471 67 A 3.9172 7.8595 118.4916 56.1848 18.7081 178.9602 68 A 4.0460 8.5055 116.5797 55.2879 18.8524 179.3154 69 C 4.1408 8.9036 117.3650 62.9646 31.4161 175.9867 70 R 4.8662 8.7758 122.4225 59.0316 29.4952 178.1606 71 Q 4.0960 7.7618 116.7292 59.0228 28.6634 177.5488 72 H 4.7818 7.5333 113.8732 55.7320 28.7290 175.6149 73 G 4.0861 8.8896 111.4014 44.7142 0.0000 174.0458 74 L 4.8294 7.5484 118.1767 53.3369 43.5165 175.3002 75 N 5.1352 8.2789 117.2846 51.7109 40.3035 175.2663 76 Y 4.1690 8.7409 121.1933 61.4499 38.6391 178.3703 77 S 4.2766 8.4767 115.3002 62.2909 62.8991 176.9492 78 T 4.0040 8.7541 118.1971 66.6024 68.5967 176.6674 79 F 4.2494 8.3765 122.4031 61.9595 39.5796 177.4788 80 I 3.2468 7.5919 119.0419 64.4693 36.8070 178.0240 81 H 4.2875 7.7720 118.6490 59.7710 29.1403 176.7447 82 G 3.7265 8.5337 106.8792 48.2006 0.0000 174.9946 83 L 4.1951 8.1288 119.8975 57.1293 41.7010 179.9454 84 K 3.8843 7.4987 117.6919 59.5063 32.2316 178.6617 85 K 4.1098 7.6998 117.1681 59.0395 32.2150 178.9227 86 A 4.0935 9.2427 121.1875 53.1233 18.0232 179.2211 87 G 3.7817 7.7343 104.3696 45.5891 0.0000 174.7856 88 I 4.0929 6.8808 114.1761 59.9959 35.8667 177.7518 89 E 4.3229 7.7280 122.7969 56.6979 30.6360 177.3485 90 V 3.9130 7.7227 118.6499 62.2451 31.1184 178.3586 91 D 3.6947 9.7901 111.3597 51.5333 43.3560 170.6245 92 R 3.6251 6.5850 125.8020 56.6290 28.3227 178.7454 93 K 4.9040 7.4035 122.1450 58.7194 33.1654 177.3271 94 N 2.0000 7.2449 114.8973 55.6360 38.4265 175.2598 95 L 4.1420 8.4469 116.2751 55.1882 42.0015 176.9144 96 A 4.7629 7.6831 121.6188 52.4859 19.5382 178.4976 97 D 4.5005 7.6562 121.1050 55.9896 39.6148 177.2847 98 L 4.3450 8.1611 121.4366 56.8207 41.6534 178.4792 99 A 3.4539 7.1764 120.5089 54.7922 18.1815 179.0054 100 V 3.7265 7.9687 116.3560 64.1978 32.0296 176.0871 101 R 4.1671 7.2639 117.3587 56.5980 31.6654 176.2990 102 E 3.7919 8.7856 119.2617 57.1201 26.7680 174.5528 103 P 4.5140 0.0000 0.0000 65.9091 31.5078 177.8487 104 Q 4.0104 8.1577 117.8260 58.9572 28.6245 178.7938 105 V 3.6227 7.6824 119.2449 65.7867 31.5046 177.6103 106 F 4.1226 8.3280 119.7358 61.5784 39.2480 176.4571 107 A 3.9891 8.3729 120.3136 55.6146 17.9609 179.3741 108 E 3.8262 7.8290 116.4555 59.6114 29.4058 179.2269 109 L 3.9052 7.5573 117.9576 58.4760 42.0343 179.3781 110 V 2.9102 7.6401 117.9223 65.8034 31.3514 177.4415 111 E 3.7775 8.2649 117.4470 60.0925 29.3631 179.8771 112 R 3.9227 8.0538 116.9676 59.3550 30.3539 178.8028 113 A 4.2130 8.4224 121.2197 54.8388 18.4504 179.1374 114 K 4.2722 7.7274 112.7204 57.9322 32.5061 177.8503 115 A 4.2857 7.7961 123.2137 54.5572 18.9420 178.8640 116 A 4.5211 7.5711 115.7200 52.1773 19.3915 178.0049 117 Q 4.3774 7.6395 116.2555 53.4998 29.6848 175.7774 118 G 3.7247 8.2766 109.8992 45.3590 0.0000 170.5592 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 P 0.00 4.25 0.00 2.19 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 R 8.42 4.10 0.00 1.86 1.89 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 4 A 8.08 4.43 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 5 K 7.98 4.23 0.00 1.88 1.83 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 6 T 8.51 3.87 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 7 G 8.01 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 0.00 0.00 0.00 8 V 8.43 3.87 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 0.77 0.00 0.00 0.93 0.00 0.00 9 V 7.18 3.51 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 0.97 0.00 0.00 0.96 0.00 0.00 10 R 7.92 3.82 0.00 1.91 1.91 0.00 3.31 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 11 R 8.13 3.91 0.00 1.92 2.10 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 12 R 7.93 3.91 0.00 2.11 1.96 0.00 3.35 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 13 K 7.89 3.99 0.00 1.64 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.58 1.60 7.81 14 H 8.35 4.21 0.00 3.47 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.48 4.06 0.00 1.95 2.07 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.44 7.81 16 K 8.01 3.94 0.00 1.88 2.09 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 17 I 7.29 4.12 1.89 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 1.53 0.75 0.90 0.00 0.00 18 L 7.79 3.99 0.00 1.85 1.71 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.01 3.86 0.00 1.94 1.94 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.46 7.81 20 L 7.61 4.02 0.00 1.85 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.28 3.69 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 22 K 6.94 3.81 0.00 1.65 1.68 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.48 7.81 23 G 8.77 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.21 4.75 0.00 3.11 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 25 W 8.94 4.33 0.00 3.51 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 26 G 7.94 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.56 4.14 0.00 1.77 1.77 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.26 3.82 0.00 2.28 2.10 0.00 3.16 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 29 S 8.11 4.84 0.00 4.00 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 30 K 7.86 4.26 0.00 1.72 1.83 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.29 7.81 31 S 8.87 4.23 0.00 3.81 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 F 8.70 4.08 0.00 2.34 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 0.00 0.00 0.00 33 R 8.31 4.52 0.00 1.76 1.86 0.00 3.13 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 34 K 8.36 3.86 0.00 1.95 1.91 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 35 A 7.88 4.59 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 36 R 7.91 3.56 0.00 1.71 1.94 0.00 3.09 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.81 0.00 37 E 8.23 3.61 0.00 2.06 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 2.31 2.26 0.00 38 T 7.90 3.68 4.31 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 0.60 0.00 0.00 39 L 8.12 4.05 0.00 1.80 1.81 0.96 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.03 4.52 0.00 3.23 2.92 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 41 A 7.59 3.58 1.06 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 42 A 8.14 4.11 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 G 8.67 3.65 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 0.00 0.00 0.00 44 N 7.90 4.51 0.00 2.77 2.82 0.00 0.00 6.98 8.80 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 45 Y 8.28 4.28 0.00 3.15 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.21 4.38 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 47 Y 7.89 4.16 0.00 2.99 3.20 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 48 A 8.20 3.99 1.46 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 49 H 9.22 4.42 0.00 3.15 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.95 3.93 0.00 1.79 1.95 0.00 3.18 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 51 K 7.19 3.81 0.00 1.76 1.78 0.00 1.43 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.21 1.06 7.81 52 R 7.77 3.96 0.00 2.10 1.99 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 53 R 7.89 4.51 0.00 2.07 2.18 0.00 3.37 0.00 0.00 3.36 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 54 K 7.98 4.14 0.00 1.95 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.64 7.81 55 R 8.60 4.07 0.00 1.76 1.86 0.00 3.09 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 56 D 7.87 4.18 0.00 2.23 2.18 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 57 F 7.38 3.71 0.00 2.27 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 58 R 6.98 3.96 0.00 1.81 2.03 0.00 3.10 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 59 R 7.92 4.08 0.00 1.85 1.68 0.00 3.21 0.00 0.00 2.99 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 60 L 7.77 3.73 0.00 1.62 1.45 1.07 1.17 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 61 W 8.11 4.57 0.00 3.66 3.22 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 62 I 8.01 3.84 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.76 0.25 0.00 0.00 63 V 7.98 3.58 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 1.03 0.00 0.00 0.89 0.00 0.00 64 R 7.98 4.14 0.00 2.14 2.19 0.00 3.03 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 65 I 8.51 3.72 2.37 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.01 1.37 0.00 0.00 66 N 9.00 4.52 0.00 2.97 3.14 0.00 0.00 7.15 8.18 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 67 A 7.86 3.92 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 68 A 8.51 4.05 1.07 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 69 C 8.90 4.14 0.00 3.56 3.46 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 70 R 8.78 4.87 0.00 2.13 2.07 0.00 3.27 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 71 Q 7.76 4.10 0.00 2.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.17 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 72 H 7.53 4.78 0.00 3.08 3.20 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.89 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.55 4.83 0.00 1.78 1.74 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.28 5.14 0.00 3.13 3.06 0.00 0.00 5.55 7.57 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 76 Y 8.74 4.17 0.00 3.24 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 77 S 8.48 4.28 0.00 4.18 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 0.00 78 T 8.75 4.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 79 F 8.38 4.25 0.00 2.93 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 80 I 7.59 3.25 1.57 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.03 0.78 0.00 0.00 81 H 7.77 4.29 0.00 3.45 3.47 0.00 5.81 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 82 G 8.53 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 0.00 0.00 0.00 83 L 8.13 4.20 0.00 1.74 1.65 1.06 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.50 3.88 0.00 1.93 1.94 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.53 7.81 85 K 7.70 4.11 0.00 1.80 1.79 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.32 7.81 86 A 9.24 4.09 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 87 G 7.73 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 0.00 0.00 0.00 88 I 6.88 4.09 1.85 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 1.28 0.58 0.95 0.00 0.00 89 E 7.73 4.32 0.00 1.93 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 2.28 2.29 0.00 90 V 7.72 3.91 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 0.84 0.00 0.00 0.91 0.00 0.00 91 D 9.79 3.69 0.00 2.65 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 92 R 6.58 3.63 0.00 2.08 1.78 0.00 3.14 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 93 K 7.40 4.90 0.00 2.22 2.24 0.00 1.72 0.00 0.00 1.92 0.00 0.00 3.23 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.81 1.77 7.81 94 N 7.24 2.00 0.00 1.44 2.15 0.00 0.00 6.96 7.78 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 95 L 8.45 4.14 0.00 1.81 1.57 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.68 4.76 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 97 D 7.66 4.50 0.00 2.81 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.16 4.34 0.00 1.81 1.94 1.01 0.92 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 99 A 7.18 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.97 3.73 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 0.86 0.00 0.00 0.89 0.00 0.00 101 R 7.26 4.17 0.00 1.90 1.82 0.00 3.33 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 102 E 8.79 3.79 0.00 2.19 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 2.31 2.23 0.00 103 P 0.00 4.51 0.00 2.32 2.47 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 104 Q 8.16 4.01 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 105 V 7.68 3.62 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 1.04 0.00 0.00 0.96 0.00 0.00 106 F 8.33 4.12 0.00 3.34 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 0.00 107 A 8.37 3.99 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 0.00 108 E 7.83 3.83 0.00 2.15 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 2.31 2.49 0.00 109 L 7.56 3.91 0.00 1.68 1.86 1.03 1.00 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 0.00 110 V 7.64 2.91 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 0.57 0.00 0.00 0.30 0.00 0.00 111 E 8.26 3.78 0.00 2.14 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 2.47 2.47 0.00 112 R 8.05 3.92 0.00 1.92 2.02 0.00 3.31 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 113 A 8.42 4.21 1.56 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 0.00 0.00 114 K 7.73 4.27 0.00 1.89 1.90 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.44 7.81 115 A 7.80 4.29 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 0.00 116 A 7.57 4.52 1.26 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 0.00 117 Q 7.64 4.38 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 118 G 8.28 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 * Residues marked with a * may have inaccurate shift predictions.