NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6668 8.0232 122.9349 51.6819 20.3252 177.7729 2 L 4.0589 8.6352 121.0501 55.8540 41.6341 178.3200 3 W 4.3594 9.3080 117.7592 59.8954 28.4052 177.9940 4 Q 3.5808 6.7939 118.4146 57.8821 27.8916 178.4127 5 F 4.2872 7.9404 121.6757 61.3518 39.5542 177.0418 6 R 3.7750 7.9576 117.4850 59.4708 29.9775 179.2576 7 S 4.1775 7.9642 114.7133 61.7828 62.8251 176.5096 8 M 3.9686 8.3810 121.6674 58.6227 31.7023 178.8705 9 I 3.4809 7.9325 120.0573 64.3205 36.9836 178.7058 10 K 4.0024 7.8660 118.1524 59.0022 31.9074 178.5334 11 C 4.3830 7.9956 118.8514 59.7503 43.4817 175.5029 12 A 4.1638 7.7823 120.8500 53.4752 19.2180 177.3470 13 I 4.3897 7.7028 118.3439 58.4401 37.7374 171.9226 14 P 4.6160 0.0000 0.0000 63.2054 31.9802 176.4624 15 G 4.0719 9.0447 110.7121 45.9476 0.0000 174.4788 16 S 4.4498 7.3661 114.5083 59.4856 63.8627 174.2559 17 H 4.9630 9.3745 118.1201 53.2218 29.5585 172.3898 18 P 4.6948 0.0000 0.0000 65.8727 31.8603 179.1627 19 L 4.1809 8.1446 116.1218 56.9530 41.6944 177.6292 20 M 4.5414 7.8736 113.5561 55.6954 32.7332 176.5155 21 D 4.0512 7.8922 120.0622 56.7170 41.1786 176.8194 22 F 4.3463 7.2643 115.8326 57.3942 38.8934 174.9108 23 N 4.8100 7.9093 119.9033 52.9507 40.8410 173.4721 24 N 4.2700 10.1183 125.7997 54.0409 37.1445 172.6878 25 Y 4.9152 7.0687 119.4899 56.8057 42.9551 176.0426 26 G 4.1027 7.9921 115.0677 45.7670 0.0000 172.3015 27 C 4.7035 9.2678 114.1258 57.4928 41.1777 174.1987 28 Y 4.4631 8.6048 114.7398 57.3918 39.5491 175.2140 29 C 4.6951 8.3446 119.5751 58.7832 39.6437 171.0627 30 G 3.8097 9.7580 112.3945 46.4720 0.0000 174.1186 31 L 2.9672 8.5627 117.6551 54.6150 43.0253 175.6691 32 G 3.9958 8.6083 113.2142 47.2382 0.0000 170.6608 33 G 4.0818 9.2435 113.5374 44.9484 0.0000 172.5977 34 S 4.0994 7.7527 115.3659 57.3279 66.1401 173.9055 35 G 3.8963 8.8123 105.0004 44.7057 0.0000 172.4354 36 T 4.5706 8.2483 118.2387 60.9196 69.8388 172.8238 37 P 4.6458 0.0000 0.0000 63.1538 31.6957 176.9497 38 V 3.7661 9.2564 115.3559 62.1622 31.9992 175.3057 39 D 4.3875 7.5504 117.9237 52.0387 41.3627 176.5012 40 E 3.9488 9.1642 118.3247 59.9822 29.5227 178.8524 41 L 4.0537 8.0472 119.2259 58.6045 42.2637 178.2606 42 D 4.5211 9.0124 117.8963 57.6540 41.0727 178.5348 43 R 3.8714 8.2894 119.3451 59.2130 30.0338 177.7857 44 C 4.3268 8.3770 116.5242 60.3550 37.9120 175.0667 45 C 4.3377 8.5884 117.5163 60.6050 35.8521 176.0430 46 E 3.8076 8.0727 119.9902 59.4075 29.0125 178.9984 47 T 3.9894 7.7010 115.6257 66.4430 68.4126 176.2464 48 H 3.9563 8.2021 120.2497 59.3045 30.0048 176.7315 49 D 4.3933 8.4557 120.9969 57.8572 40.5634 178.9729 50 N 4.4295 8.4077 115.4442 56.2359 38.9097 176.4011 51 C 4.5270 8.6462 120.2612 60.1168 43.9549 175.0699 52 Y 4.3215 8.6370 118.8630 61.3732 37.2380 179.1343 53 R 3.9746 7.9408 115.6097 59.2947 29.6651 178.1083 54 D 4.4627 8.1118 117.9538 55.5953 40.8953 178.4968 55 A 3.2505 7.9137 122.4000 54.8501 18.3083 179.5215 56 K 3.9779 7.8537 113.5735 58.4145 32.3915 177.9820 57 N 4.5195 7.4673 116.1554 53.2980 38.5793 174.6280 58 L 4.4206 7.3258 122.0784 52.4891 43.0663 176.0310 59 S 4.1828 8.6872 119.6723 60.1732 63.1259 174.5825 60 G 3.8963 8.5979 114.8472 46.8840 0.0000 174.7641 61 C 4.0513 6.7361 118.8995 54.1371 39.1249 172.0562 *67 Y 5.0185 7.9795 123.5287 57.0959 37.5166 174.5625 68 P 4.0112 0.0000 0.0000 65.5048 31.1663 178.6735 69 Y 4.2386 8.4196 115.3242 60.0355 38.1327 177.1591 70 T 4.3934 7.3742 109.1043 62.1125 70.2118 174.5208 71 E 4.1576 8.0283 123.4011 55.7005 29.6874 175.7345 72 S 4.5661 8.6686 123.2926 57.4001 64.0334 173.0757 73 Y 4.9243 7.5750 122.9100 55.1661 40.9248 174.4241 74 S 5.1834 8.4394 114.7691 57.2808 65.6496 173.4250 75 Y 5.3672 8.1341 120.4440 56.6507 40.8074 173.1915 76 S 4.2540 9.2199 113.7290 56.8916 67.1892 172.3801 77 C 5.2552 8.5948 121.1842 54.9637 41.2914 173.7070 78 S 4.3072 9.3128 123.9886 58.9459 60.8338 172.8183 79 N 4.3852 9.2411 119.7320 53.6488 35.7383 172.5149 80 T 4.1210 8.0077 114.0461 64.4070 67.6611 172.7363 81 E 4.4152 7.8351 120.0637 55.7239 31.1058 175.9018 82 I 5.0434 8.2930 123.7832 59.8644 39.7862 174.9877 83 T 4.5942 9.3146 123.5801 61.8783 71.6949 172.4399 84 C 4.8492 8.8354 124.3703 55.6429 37.4382 172.9639 85 N 4.3428 8.7011 122.7764 54.3492 39.0006 175.7521 86 S 4.3014 8.9143 119.5203 59.9726 63.6711 174.8280 87 K 4.2932 8.2665 119.6669 56.6346 32.4355 176.7924 88 N 4.3224 7.5605 117.2661 53.6016 39.0565 175.3241 89 N 4.6848 9.8008 120.5253 52.0912 39.8684 175.9497 90 A 3.9721 8.4412 120.9561 55.6222 18.3849 180.1327 91 C 4.1832 8.2455 116.3151 59.9011 39.2507 175.3429 92 E 4.0085 8.1373 119.5728 59.4486 29.1003 179.1618 93 A 3.9120 8.2256 120.8463 55.3017 18.4371 179.0885 94 F 3.7344 8.3586 119.0011 61.5539 39.5702 177.1269 95 I 3.7941 8.1929 119.1171 64.6083 37.0204 177.4810 96 C 2.9324 8.4171 119.2928 59.5491 44.4433 175.4560 97 N 4.0412 7.9160 117.7566 56.3054 38.0677 176.6901 98 C 4.1392 8.0244 117.8287 60.2723 40.2030 176.0126 99 D 3.8526 7.7304 119.8124 57.0396 40.3086 178.9012 100 R 3.7380 7.7080 119.2262 59.5318 30.0506 178.4214 101 N 4.2301 8.1097 116.0622 56.1559 38.3953 177.3471 102 A 3.6058 7.6821 121.5569 54.6203 18.1288 179.5871 103 A 3.4013 7.5023 118.7311 54.8543 18.6985 179.6505 104 I 3.6770 7.4675 118.3069 64.8750 37.1306 177.2050 105 C 4.0916 8.1341 119.0256 60.3387 43.1961 175.5372 106 F 4.3375 8.2147 118.9702 59.5487 38.6190 176.9549 107 S 4.4698 8.4525 114.2132 60.3176 63.5905 175.7296 108 K 4.1966 7.8133 118.8686 55.9756 32.5160 176.4598 109 A 4.7369 7.3137 122.5669 49.5664 20.7664 174.9664 110 P 4.4675 0.0000 0.0000 62.5608 32.3249 175.1081 111 Y 4.3569 8.5543 122.4524 56.1570 39.7979 174.5191 112 N 4.7661 8.7112 126.2264 51.2801 38.6731 175.9613 113 K 4.1870 8.5887 123.4312 58.5079 32.9371 177.4706 114 E 4.2740 7.8271 116.7180 56.8342 29.9355 176.1272 115 H 4.4814 7.7193 115.7650 55.3499 29.4706 173.2446 116 K 4.3500 7.5728 121.7796 56.3523 32.4397 175.7412 117 N 4.2785 9.1330 124.8642 53.9650 36.0869 174.4615 118 L 3.8205 7.9438 119.8986 55.0721 42.5500 176.0647 119 D 4.5402 8.8318 126.0790 54.7578 39.5495 176.3754 120 T 4.1103 8.3167 114.8050 62.9706 68.9894 175.3952 121 K 4.5283 8.2101 121.7107 55.8222 32.2921 176.1269 122 K 4.3670 7.6941 119.5923 57.0611 38.0896 175.6067 123 Y 4.7092 7.8340 114.1501 57.9747 39.0923 175.0215 124 C 4.5034 8.1066 122.0449 57.1125 41.4919 173.3111 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 A 8.02 4.67 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 2 L 8.64 4.06 0.00 2.11 2.01 0.76 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 3 W 9.31 4.36 0.00 3.70 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 4 Q 6.79 3.58 0.00 1.26 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 5 F 7.94 4.29 0.00 3.13 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 6 R 7.96 3.77 0.00 2.31 2.02 0.00 3.26 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 7 S 7.96 4.18 0.00 4.08 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 0.00 8 M 8.38 3.97 0.00 1.88 2.23 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 2.35 2.16 0.00 9 I 7.93 3.48 1.71 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.13 0.53 0.00 0.00 10 K 7.87 4.00 0.00 1.86 1.88 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 11 C 8.00 4.38 0.00 3.08 3.28 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 12 A 7.78 4.16 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 13 I 7.70 4.39 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.98 0.95 0.00 0.00 14 P 0.00 4.62 0.00 2.03 1.98 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 15 G 9.04 4.07 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 0.00 16 S 7.37 4.45 0.00 4.10 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 17 H 9.37 4.96 0.00 3.06 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.69 0.00 2.23 2.19 0.00 3.67 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 2.15 2.16 0.00 19 L 8.14 4.18 0.00 1.70 1.80 0.99 0.94 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 20 M 7.87 4.54 0.00 2.09 2.13 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 2.43 2.62 0.00 21 D 7.89 4.05 0.00 1.66 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 22 F 7.26 4.35 0.00 3.23 2.83 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 N 7.91 4.81 0.00 2.79 2.82 0.00 0.00 7.16 7.79 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 24 N 10.12 4.27 0.00 3.01 2.93 0.00 0.00 6.12 7.44 0.00 0.00 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 Y 7.07 4.92 0.00 2.88 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 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 0.00 0.00 0.00 27 C 9.27 4.70 0.00 3.28 3.29 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 28 Y 8.60 4.46 0.00 3.23 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 29 C 8.34 4.70 0.00 3.42 3.37 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 30 G 9.76 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 31 L 8.56 2.97 0.00 1.76 1.84 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.61 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.24 4.08 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 0.00 0.00 0.00 34 S 7.75 4.10 0.00 3.90 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 35 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 36 T 8.25 4.57 4.30 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 1.24 0.00 0.00 37 P 0.00 4.65 0.00 2.15 1.96 0.00 3.77 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 1.88 1.99 0.00 38 V 9.26 3.77 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 0.62 0.00 0.00 0.70 0.00 0.00 39 D 7.55 4.39 0.00 2.95 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 40 E 9.16 3.95 0.00 1.99 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 2.35 2.48 0.00 41 L 8.05 4.05 0.00 1.70 1.69 -0.16 0.64 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 42 D 9.01 4.52 0.00 3.10 2.87 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 43 R 8.29 3.87 0.00 2.18 1.99 0.00 3.15 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 44 C 8.38 4.33 0.00 3.61 3.56 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 45 C 8.59 4.34 0.00 3.33 3.57 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 46 E 8.07 3.81 0.00 1.16 1.63 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 2.05 1.81 0.00 47 T 7.70 3.99 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 1.18 0.00 0.00 48 H 8.20 3.96 0.00 3.14 3.41 0.00 5.63 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 49 D 8.46 4.39 0.00 3.14 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 50 N 8.41 4.43 0.00 2.78 2.92 0.00 0.00 7.07 7.56 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 51 C 8.65 4.53 0.00 3.13 3.23 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 52 Y 8.64 4.32 0.00 2.88 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 53 R 7.94 3.97 0.00 2.03 2.16 0.00 3.28 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.02 0.00 54 D 8.11 4.46 0.00 3.21 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 55 A 7.91 3.25 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 56 K 7.85 3.98 0.00 1.71 1.90 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.81 7.81 57 N 7.47 4.52 0.00 2.64 2.76 0.00 0.00 6.86 9.20 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 58 L 7.33 4.42 0.00 1.51 1.45 0.53 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.69 4.18 0.00 3.81 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 60 G 8.60 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 61 C 6.74 4.05 0.00 2.77 2.83 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 *67 Y 7.98 5.02 0.00 3.22 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 68 P 0.00 4.01 0.00 0.49 1.17 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 69 Y 8.42 4.24 0.00 3.02 3.18 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 70 T 7.37 4.39 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 1.31 0.00 0.00 71 E 8.03 4.16 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 2.33 2.39 0.00 72 S 8.67 4.57 0.00 3.99 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 73 Y 7.58 4.92 0.00 3.01 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 74 S 8.44 5.18 0.00 3.85 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 75 Y 8.13 5.37 0.00 3.14 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 76 S 9.22 4.25 0.00 3.76 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 77 C 8.59 5.26 0.00 3.08 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 78 S 9.31 4.31 0.00 3.88 3.79 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 79 N 9.24 4.39 0.00 2.79 2.81 0.00 0.00 7.47 7.54 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 80 T 8.01 4.12 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 1.20 0.00 0.00 81 E 7.84 4.42 0.00 2.07 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 2.30 2.42 0.00 82 I 8.29 5.04 1.84 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 1.38 0.60 0.94 0.00 0.00 83 T 9.31 4.59 4.25 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 1.20 0.00 0.00 84 C 8.84 4.85 0.00 2.78 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 85 N 8.70 4.34 0.00 2.93 2.99 0.00 0.00 6.55 7.48 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 86 S 8.91 4.30 0.00 4.01 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 87 K 8.27 4.29 0.00 2.02 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.40 7.81 88 N 7.56 4.32 0.00 2.82 2.81 0.00 0.00 6.97 7.89 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 89 N 9.80 4.68 0.00 2.97 3.01 0.00 0.00 6.75 7.09 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 90 A 8.44 3.97 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 91 C 8.25 4.18 0.00 2.92 3.21 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 0.00 92 E 8.14 4.01 0.00 2.35 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 2.44 2.39 0.00 93 A 8.23 3.91 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 94 F 8.36 3.73 0.00 3.21 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 95 I 8.19 3.79 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.02 0.99 0.00 0.00 96 C 8.42 2.93 0.00 2.50 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 97 N 7.92 4.04 0.00 2.59 2.62 0.00 0.00 7.10 7.18 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 98 C 8.02 4.14 0.00 3.16 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 99 D 7.73 3.85 0.00 2.72 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 0.00 100 R 7.71 3.74 0.00 1.93 1.77 0.00 3.00 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 1.54 0.00 101 N 8.11 4.23 0.00 2.79 2.73 0.00 0.00 6.97 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 0.00 102 A 7.68 3.61 0.94 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 0.00 0.00 103 A 7.50 3.40 1.12 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 0.00 0.00 104 I 7.47 3.68 1.91 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 1.34 0.84 0.86 0.00 0.00 105 C 8.13 4.09 0.00 3.08 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 0.00 106 F 8.21 4.34 0.00 2.68 2.73 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 0.00 107 S 8.45 4.47 0.00 3.97 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 0.00 108 K 7.81 4.20 0.00 1.73 1.91 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.45 7.81 109 A 7.31 4.74 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 0.00 110 P 0.00 4.47 0.00 2.25 2.11 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 111 Y 8.55 4.36 0.00 2.90 2.84 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 0.00 112 N 8.71 4.77 0.00 2.98 2.55 0.00 0.00 6.32 6.57 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 0.00 113 K 8.59 4.19 0.00 1.91 2.14 0.00 1.94 0.00 0.00 1.98 0.00 0.00 3.14 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.43 7.81 114 E 7.83 4.27 0.00 1.96 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 1.91 2.10 0.00 115 H 7.72 4.48 0.00 2.45 2.41 0.00 5.62 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 0.00 116 K 7.57 4.35 0.00 1.71 1.73 0.00 1.99 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.73 7.81 117 N 9.13 4.28 0.00 2.89 2.97 0.00 0.00 7.02 7.73 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 0.00 118 L 7.94 3.82 0.00 1.64 1.65 0.67 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.83 4.54 0.00 2.82 2.77 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 0.00 0.00 0.00 0.00 120 T 8.32 4.11 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 1.35 0.00 0.00 121 K 8.21 4.53 0.00 1.84 1.79 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.47 7.81 122 K 7.69 4.37 0.00 1.41 1.53 0.00 1.42 0.00 0.00 1.40 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.86 7.81 123 Y 7.83 4.71 0.00 3.14 2.87 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 0.00 124 C 8.11 4.50 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 * Residues marked with a * may have inaccurate shift predictions.