NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3942 8.3001 118.7933 53.9953 33.4678 174.3568 2 A 4.3514 8.0896 122.7880 51.5394 20.0778 176.5397 3 S 4.7078 8.6714 120.9334 56.5620 65.4203 169.9781 4 L 3.9496 8.5038 127.7634 53.0170 41.4258 173.6752 5 P 4.4450 0.0000 0.0000 64.3767 30.5627 176.9009 *6 H 4.7462 8.3538 117.7822 55.3372 29.3594 180.9524 7 P 4.2721 0.0000 0.0000 66.0139 29.6818 180.6136 8 K 4.4181 9.1577 117.7474 56.7501 32.2105 179.9088 9 I 4.2545 7.3441 118.4676 61.9479 35.6125 182.0440 10 V 4.3701 7.5799 121.8977 61.0054 33.4285 178.7020 11 K 4.5290 8.7267 125.8286 54.5449 36.2018 173.5614 12 K 3.9848 8.3208 119.4447 55.9148 30.7626 181.2469 *13 H 3.9445 8.5351 112.2742 57.8014 25.0457 176.0218 14 T 4.2676 7.5089 117.3159 60.0430 66.0283 175.1215 15 K 4.7720 8.3394 133.4033 54.8327 35.2945 177.1100 16 K 3.9871 9.0162 129.2225 55.8604 30.5392 172.7347 *17 F 3.6072 8.1780 118.7203 57.5466 34.7881 176.9687 18 K 5.0226 7.9340 129.7590 52.6937 36.0234 175.7743 19 R 4.0501 8.1606 121.5020 58.3798 29.8106 180.0718 *20 H 4.6356 9.0752 119.8310 54.6171 30.6926 176.8857 *21 H 4.1368 8.8822 121.4251 58.3578 27.1943 174.0337 22 S 5.9688 8.4099 135.0000 59.5299 62.5037 176.3801 23 D 4.7139 8.2477 119.6954 53.8453 38.4875 181.4196 24 R 4.2783 7.4395 126.8040 57.8274 36.3947 177.8743 *25 Y 4.1682 8.0117 116.3368 58.2806 38.1142 180.3167 *26 H 4.0452 8.9645 122.4455 58.0685 28.2663 177.6181 27 R 4.5612 7.8800 118.4685 56.3682 29.5390 178.9179 28 V 4.1906 7.1824 116.6267 61.0963 33.5581 177.3056 29 A 4.5349 8.2055 126.8759 52.9761 20.5380 179.2878 30 E 4.0732 9.8020 122.7569 61.0973 30.1626 178.2467 31 N 4.5190 9.6004 117.7510 54.1496 42.1994 178.2436 *32 W 3.2554 8.0065 120.9180 61.1857 27.2942 174.3369 33 R 3.4400 8.6135 113.9360 57.6019 27.9652 179.3852 34 K 3.6712 9.5323 117.0288 56.3416 28.3662 177.2492 35 Q 3.9452 8.3129 123.6878 55.4629 27.6413 177.6244 36 K 4.4195 8.5335 124.3857 53.5578 32.1143 174.5047 37 G 3.9153 7.7670 111.3321 46.5647 0.0000 175.4272 38 I 4.1112 8.2544 118.0789 61.7235 35.5878 176.1839 39 D 4.7757 8.2586 117.8063 55.8479 46.9864 181.7326 40 S 4.0389 8.3265 117.9540 59.0058 61.8862 178.8385 41 V 3.7927 8.8391 129.5420 65.8723 31.1791 174.8969 42 V 4.2035 8.2432 120.8394 66.0478 31.4076 184.3463 43 R 4.1372 8.0043 125.7115 61.6006 29.4038 181.1135 44 R 4.4693 7.9647 119.4637 61.1149 30.5931 183.6478 45 R 4.1231 8.1824 117.7765 57.2088 26.9509 178.6519 *46 F 4.3716 7.5254 118.9226 56.9151 38.9692 178.1971 47 R 3.9989 8.3599 118.2075 58.3749 29.5412 176.3276 48 G 3.9098 9.2190 110.8893 46.9471 0.0000 174.6012 49 N 4.5835 8.8808 114.6329 51.8877 36.4136 175.2920 50 I 3.8205 8.0071 116.6962 62.3415 35.5514 175.9550 51 S 4.6196 8.3365 113.2005 59.2110 63.7667 172.6393 52 Q 3.9015 8.7626 124.3495 56.4637 26.3050 174.2985 53 P 4.4568 0.0000 0.0000 61.9726 30.9720 176.4593 54 K 4.3039 9.0283 122.7647 55.2900 37.0040 172.9353 55 I 2.9746 9.1551 115.5003 58.4684 37.4904 175.7414 56 G 3.7523 8.3675 113.4101 49.3647 0.0000 176.2939 *57 Y 4.1470 11.3700 116.5855 57.9540 37.3252 181.2504 58 G 4.0122 7.6981 108.8679 46.2100 0.0000 172.9756 59 S 4.6801 8.3135 117.7679 56.6260 64.0392 175.2081 60 N 4.4281 9.1088 125.0561 53.2936 34.8718 177.2515 61 K 4.1638 7.4692 124.7566 56.7102 34.0961 177.6721 62 K 4.3266 8.2753 120.6340 55.7283 31.0593 180.0797 63 T 4.5410 8.3480 111.6037 62.1196 72.7278 179.7465 64 K 4.7132 7.4905 134.5096 54.8282 31.0070 184.4462 *65 F 3.9702 9.1440 120.7868 60.8448 37.4506 175.1730 66 L 4.5295 7.5673 119.4207 54.4884 42.0986 179.0582 67 S 3.9175 9.0023 125.7614 56.2906 58.6294 165.0000 68 P 5.0853 0.0000 0.0000 64.4192 33.1880 174.4020 69 S 5.0767 8.6567 117.4445 58.6222 60.7546 174.4886 70 G 3.9580 8.5093 112.0158 45.7335 0.0000 176.7099 *71 H 4.4420 9.7566 122.2856 55.6184 31.3141 178.3059 72 K 3.9154 8.5326 125.4500 57.4333 30.3464 175.0493 73 T 4.8761 7.6913 106.7599 63.4616 71.5268 168.5929 *74 F 4.4508 7.5518 117.8943 57.5320 41.8316 175.6775 75 L 5.2459 8.5411 131.1787 53.5426 38.0558 175.1459 76 V 3.6315 7.6139 120.5114 61.8868 33.0443 179.8302 77 A 4.6163 8.2432 132.0675 51.2747 19.8310 176.6201 78 N 4.3709 8.6625 114.2449 56.2141 39.2223 181.8799 79 V 2.9766 7.0841 119.5892 62.1507 33.6844 177.4969 80 K 4.0247 8.0733 126.5709 60.6592 31.6918 181.2142 81 D 4.7381 8.3220 124.0748 59.1227 39.8212 181.3146 82 L 4.4141 7.9714 123.6456 57.0464 41.2688 179.9417 83 E 4.7092 9.1049 122.2739 59.0196 28.4690 184.1596 84 T 3.5088 7.0421 111.4092 63.8343 67.6901 174.2694 85 L 4.7692 8.9030 119.8762 55.1237 43.1591 184.0751 86 T 3.8716 7.6580 112.3482 66.5402 68.7068 181.4982 87 M 4.0907 7.9898 124.9337 57.8942 31.8398 179.7982 *88 H 4.6155 7.8784 113.6681 55.9373 29.3803 182.2699 89 T 3.5007 7.1275 111.7324 63.0318 66.6461 179.3301 90 K 3.7338 8.7378 116.0314 57.4928 28.3483 174.7439 91 T 4.3466 7.4980 115.8146 61.4127 70.7347 177.4409 *92 Y 3.9373 8.6464 115.5190 57.4364 37.3775 169.0515 93 A 4.7076 7.6751 117.9333 52.4539 22.3518 175.4333 94 A 5.1385 8.6485 124.2995 51.2590 22.1400 176.5277 95 E 5.0684 9.7730 119.4656 54.0830 34.6513 179.3334 96 I 4.5991 8.6575 123.7628 58.7915 33.8510 179.5708 97 A 4.6301 8.7286 123.3981 53.1217 21.5656 177.6162 *98 H 4.0088 9.2819 121.0403 58.6773 27.9848 177.6760 99 N 4.4237 8.2606 117.9958 55.4537 37.7286 177.5963 100 I 3.6607 7.0641 116.8961 60.6090 35.8721 179.4628 101 S 4.5056 8.5553 122.4665 57.4049 61.7905 169.1050 102 A 4.3708 8.5839 119.3071 56.7543 19.3607 179.9402 103 K 3.8236 7.5934 121.0911 60.7801 31.4433 180.9011 104 N 4.5262 8.3689 121.7329 58.3192 37.5898 180.2127 105 R 4.1798 7.8190 123.3449 62.5138 29.4502 183.6520 106 V 3.9112 7.9155 123.1908 67.2764 31.5283 180.3192 107 V 3.8929 8.5850 120.8409 65.6177 30.8286 181.3100 108 I 3.8550 7.7479 124.3084 63.5470 36.7154 180.4347 109 L 4.1451 9.2715 120.4616 57.0436 40.6584 183.9475 110 A 3.2596 6.9805 120.8991 52.5905 21.2482 181.8040 111 R 3.8142 5.8400 122.1198 60.2578 30.2959 179.9905 112 A 4.3714 8.9129 124.7104 54.7980 18.3143 180.2861 113 K 3.8686 7.9197 122.1065 59.7605 31.9587 181.3884 114 A 4.6665 7.9612 122.7895 54.5060 19.6147 179.4959 115 L 4.0487 7.5793 119.2809 57.8900 41.1241 180.0137 116 G 4.2040 8.2429 107.2438 46.4680 0.0000 174.4038 117 I 4.4327 7.2870 121.5641 59.8533 37.4905 180.9124 118 K 4.6437 8.5792 127.7916 54.8410 34.2742 177.1888 119 V 4.5303 8.3183 125.8637 60.3000 32.8564 174.6590 120 T 4.0352 9.5288 124.9246 63.5634 68.1014 173.3774 121 N 4.2543 8.4415 118.2639 53.2911 37.8733 175.6176 122 P 4.1725 0.0000 0.0000 64.4316 32.2763 181.8754 123 K 4.3111 8.7681 119.4016 54.1700 30.4438 174.5650 124 G 3.9641 8.4467 107.3452 47.6970 0.0000 174.0960 125 R 4.1068 9.1635 122.9244 56.3180 29.3243 177.3779 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 1 M 8.30 4.39 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 8.09 4.35 1.27 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 0.00 0.00 3 S 8.67 4.71 0.00 3.62 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 4 L 8.50 3.95 0.00 1.56 1.61 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.44 0.00 2.08 1.98 0.00 3.71 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 1.94 1.59 0.00 *6 H 8.35 4.75 0.00 2.88 2.96 0.00 7.19 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.27 0.00 1.99 1.84 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.60 0.00 8 K 9.16 4.42 0.00 1.77 1.73 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.00 7.81 9 I 7.34 4.25 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.12 0.91 0.00 0.00 10 V 7.58 4.37 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 0.90 0.00 0.00 0.93 0.00 0.00 11 K 8.73 4.53 0.00 1.73 1.66 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.99 7.81 12 K 8.32 3.98 0.00 1.72 2.17 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.28 0.91 7.81 *13 H 8.54 3.94 0.00 2.99 3.08 0.00 7.18 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.51 4.27 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 15 K 8.34 4.77 0.00 1.70 1.72 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.20 0.76 7.81 16 K 9.02 3.99 0.00 1.77 1.77 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.06 7.81 *17 F 8.18 3.61 0.00 2.34 2.27 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 18 K 7.93 5.02 0.00 1.48 1.56 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.97 7.81 19 R 8.16 4.05 0.00 1.60 1.78 0.00 3.25 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 *20 H 9.08 4.64 0.00 2.59 2.62 0.00 7.20 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 8.88 4.14 0.00 2.92 2.99 0.00 7.31 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.41 5.97 0.00 3.70 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 23 D 8.25 4.71 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 24 R 7.44 4.28 0.00 1.76 1.58 0.00 3.26 0.00 0.00 3.26 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.08 0.00 *25 Y 8.01 4.17 0.00 2.23 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 0.00 0.00 0.00 0.00 *26 H 8.96 4.05 0.00 2.92 3.01 0.00 7.16 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.88 4.56 0.00 1.82 1.81 0.00 3.22 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.18 0.00 28 V 7.18 4.19 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 0.85 0.00 0.00 0.93 0.00 0.00 29 A 8.21 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 9.80 4.07 0.00 1.67 1.70 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 2.32 1.91 0.00 31 N 9.60 4.52 0.00 2.45 2.58 0.00 0.00 6.47 7.96 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 *32 W 8.01 3.26 0.00 2.57 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.61 3.44 0.00 1.90 2.19 0.00 3.35 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 34 K 9.53 3.67 0.00 1.85 1.72 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.24 7.81 35 Q 8.31 3.95 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.14 0.00 0.00 0.00 0.00 0.00 2.30 1.97 0.00 36 K 8.53 4.42 0.00 1.77 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.00 7.81 37 G 7.77 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 0.00 0.00 0.00 38 I 8.25 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.91 0.00 0.00 39 D 8.26 4.78 0.00 2.60 2.52 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 40 S 8.33 4.04 0.00 3.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.84 3.79 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 0.75 0.00 0.00 0.93 0.00 0.00 42 V 8.24 4.20 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 0.71 0.00 0.00 0.93 0.00 0.00 43 R 8.00 4.14 0.00 1.90 1.93 0.00 3.22 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.31 0.00 44 R 7.96 4.47 0.00 1.90 1.85 0.00 3.25 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.25 0.00 45 R 8.18 4.12 0.00 1.95 2.10 0.00 3.24 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 *46 F 7.53 4.37 0.00 2.31 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 47 R 8.36 4.00 0.00 1.82 1.78 0.00 3.35 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 48 G 9.22 3.91 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 0.00 0.00 0.00 49 N 8.88 4.58 0.00 2.87 2.96 0.00 0.00 6.55 7.72 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 50 I 8.01 3.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.91 0.00 0.00 51 S 8.34 4.62 0.00 3.57 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 52 Q 8.76 3.90 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 5.71 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 53 P 0.00 4.46 0.00 2.27 2.02 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 1.81 1.57 0.00 54 K 9.03 4.30 0.00 1.71 1.54 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 0.94 7.81 55 I 9.16 2.97 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.48 0.91 0.00 0.00 56 G 8.37 3.75 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 0.00 0.00 0.00 *57 Y 11.37 4.15 0.00 2.35 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 0.00 0.00 0.00 0.00 58 G 7.70 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 0.00 0.00 0.00 59 S 8.31 4.68 0.00 3.63 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 60 N 9.11 4.43 0.00 2.64 2.78 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.47 4.16 0.00 1.74 2.04 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.03 7.81 62 K 8.28 4.33 0.00 1.80 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.26 7.81 63 T 8.35 4.54 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 64 K 7.49 4.71 0.00 1.67 0.98 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.00 7.81 *65 F 9.14 3.97 0.00 2.29 2.28 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 66 L 7.57 4.53 0.00 1.63 1.47 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.00 3.92 0.00 3.81 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 68 P 0.00 5.09 0.00 2.07 1.94 0.00 3.69 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 1.69 1.36 0.00 69 S 8.66 5.08 0.00 3.69 4.13 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 70 G 8.51 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 *71 H 9.76 4.44 0.00 2.86 2.93 0.00 7.34 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.53 3.92 0.00 1.92 1.73 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 0.98 7.81 73 T 7.69 4.88 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 *74 F 7.55 4.45 0.00 1.91 2.12 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 75 L 8.54 5.25 0.00 1.42 1.54 0.92 0.89 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 76 V 7.61 3.63 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 0.67 0.00 0.00 0.93 0.00 0.00 77 A 8.24 4.62 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 78 N 8.66 4.37 0.00 2.61 2.66 0.00 0.00 7.10 7.67 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 79 V 7.08 2.98 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 0.65 0.00 0.00 0.93 0.00 0.00 80 K 8.07 4.02 0.00 1.75 1.86 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.09 7.81 81 D 8.32 4.74 0.00 2.73 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 82 L 7.97 4.41 0.00 1.74 1.62 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.10 4.71 0.00 1.96 1.17 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 2.23 2.19 0.00 84 T 7.04 3.51 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 85 L 8.90 4.77 0.00 1.38 1.59 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.66 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 87 M 7.99 4.09 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.11 0.00 *88 H 7.88 4.62 0.00 2.96 2.98 0.00 7.20 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.13 3.50 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 90 K 8.74 3.73 0.00 1.99 1.82 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 1.24 7.81 91 T 7.50 4.35 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 *92 Y 8.65 3.94 0.00 2.17 2.57 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 0.00 0.00 0.00 0.00 93 A 7.68 4.71 1.20 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 94 A 8.65 5.14 1.24 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 0.00 0.00 0.00 95 E 9.77 5.07 0.00 1.48 1.75 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 2.13 2.10 0.00 96 I 8.66 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.91 0.00 0.00 97 A 8.73 4.63 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 *98 H 9.28 4.01 0.00 2.94 3.04 0.00 7.21 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.26 4.42 0.00 2.74 2.75 0.00 0.00 6.50 7.72 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 0.00 100 I 7.06 3.66 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.09 0.91 0.00 0.00 101 S 8.56 4.51 0.00 3.62 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 0.00 102 A 8.58 4.37 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 0.00 103 K 7.59 3.82 0.00 1.77 1.74 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.10 7.81 104 N 8.37 4.53 0.00 2.71 2.91 0.00 0.00 6.76 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 0.00 105 R 7.82 4.18 0.00 1.76 1.96 0.00 3.26 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 106 V 7.92 3.91 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 0.71 0.00 0.00 0.93 0.00 0.00 107 V 8.59 3.89 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 0.75 0.00 0.00 0.93 0.00 0.00 108 I 7.75 3.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.08 0.91 0.00 0.00 109 L 9.27 4.15 0.00 1.63 1.20 0.92 1.15 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 0.00 110 A 6.98 3.26 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 0.00 111 R 5.84 3.81 0.00 1.86 1.94 0.00 3.27 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 1.57 1.58 0.00 112 A 8.91 4.37 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.92 3.87 0.00 1.82 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.38 7.81 114 A 7.96 4.67 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 0.00 115 L 7.58 4.05 0.00 1.77 1.62 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.24 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 0.00 117 I 7.29 4.43 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.91 0.00 0.00 118 K 8.58 4.64 0.00 1.43 1.69 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 0.99 7.81 119 V 8.32 4.53 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 0.87 0.00 0.00 0.93 0.00 0.00 120 T 9.53 4.04 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 0.00 121 N 8.44 4.25 0.00 2.73 2.75 0.00 0.00 6.50 7.75 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 0.00 122 P 0.00 4.17 0.00 2.08 1.88 0.00 3.73 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 1.95 1.64 0.00 123 K 8.77 4.31 0.00 1.91 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 0.97 7.81 124 G 8.45 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 0.00 125 R 9.16 4.11 0.00 1.84 1.72 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.