NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 H 4.7438 8.4449 117.8545 54.3967 31.1516 172.4824 7 D 4.4172 8.2109 118.4256 54.9134 38.0704 171.3951 8 D 4.7644 7.3317 113.4901 54.2361 43.2075 175.6989 9 C 4.1556 8.6620 113.9157 57.1324 42.9267 171.4588 10 Q 5.2928 7.4666 115.1560 54.0112 32.4098 174.8501 11 V 4.6501 8.8421 120.1712 60.9987 35.0576 172.7596 12 T 5.1075 8.3250 112.0395 59.9894 71.5462 173.2478 13 N 3.8824 8.7537 123.1443 52.3422 39.1620 174.3097 14 P 3.7046 0.0000 0.0000 65.4663 31.9236 177.9026 15 S 4.3069 8.6147 115.7926 60.6661 62.8383 174.9691 16 T 4.3077 7.9005 107.2727 60.4676 70.0403 175.2548 17 G 3.8043 8.9764 110.9492 45.4910 0.0000 173.1333 18 H 3.8782 7.7742 120.4972 56.3607 30.8384 173.4432 19 L 4.6105 7.7871 127.7795 53.8685 42.9763 175.3071 20 F 4.9044 9.3090 125.6335 56.1590 41.6164 174.6578 21 D 4.9248 8.5325 121.0840 53.0666 44.0467 174.6840 22 L 4.4684 8.7035 124.7623 54.2781 42.5056 178.4200 23 S 4.2799 9.0046 117.0407 61.1681 62.8247 176.5687 24 S 4.2833 7.9772 114.0581 60.1023 62.9148 174.5098 25 L 4.6434 7.9504 120.5615 54.7852 41.8503 176.6776 26 S 5.0479 7.0568 113.8434 56.8945 64.1044 172.2573 27 G 4.0248 8.5712 105.2129 43.5149 0.0000 175.4862 28 R 4.0758 8.8586 121.2782 58.1313 30.6124 179.0788 29 A 4.1440 7.5900 119.6995 53.0463 19.2377 178.8220 30 G 3.5581 7.2232 104.5391 46.6021 0.0000 170.9818 31 F 5.1390 9.2411 119.7496 56.3319 44.0558 173.5865 32 T 5.2458 8.5684 107.8162 60.3457 72.0282 173.0832 33 A 4.8499 8.9028 123.9473 49.6728 22.2658 175.6395 34 A 4.3955 8.7074 123.3643 52.3426 19.4064 176.3219 35 Y 4.6659 8.8390 122.7755 57.1137 42.0622 176.3526 36 S 3.3479 8.4203 120.6905 58.7261 62.5243 170.6903 37 E 4.0845 8.7761 115.8332 59.3753 29.2482 178.0170 38 K 4.4277 7.7928 113.6046 55.8801 34.6382 176.4660 39 G 4.2710 7.6055 107.1850 45.4415 0.0000 172.0604 40 L 5.3975 8.2381 118.7456 54.5374 44.6920 174.6729 41 V 4.7145 8.7966 118.8061 61.2064 34.3475 174.0955 42 Y 5.0580 8.6802 125.9097 58.0396 39.5268 174.4745 43 M 5.4538 9.2532 119.8806 54.3368 34.6481 173.7903 44 S 5.3103 9.2387 117.9070 56.9894 66.4710 173.1676 45 I 4.8147 8.5124 123.2950 61.0686 38.3229 176.7836 46 C 4.7668 8.5941 122.3576 56.7572 37.9755 173.2639 47 G 4.0480 7.5574 107.8776 45.0619 0.0000 173.3223 48 E 4.1857 7.8153 117.5083 56.0053 30.5907 175.1824 49 N 5.2040 8.8030 118.3858 50.8307 40.5730 175.8976 50 E 4.0281 8.7762 123.0547 58.6243 29.8328 177.9561 51 N 4.3792 8.1353 115.6251 53.5585 38.9506 173.9640 52 C 4.8739 7.4307 115.5026 53.9471 42.0262 171.6074 53 P 4.4917 0.0000 0.0000 61.7802 31.5103 174.4969 54 P 4.4684 0.0000 0.0000 64.0378 31.8265 177.5560 55 G 3.9020 9.2899 110.5296 45.3523 0.0000 173.0817 56 V 4.1863 7.6019 121.2232 62.4314 32.2798 176.8221 57 G 3.6014 8.9926 114.8199 47.3695 0.0000 173.0988 58 A 5.8819 7.9844 121.4118 51.1844 22.8351 174.0176 59 C 5.0054 8.5118 114.2428 53.8425 44.4738 173.2381 60 F 4.5099 8.6515 120.0247 57.7216 38.9862 176.5227 61 G 3.7150 9.2149 112.1253 49.6909 0.0000 174.8790 62 Q 4.3474 8.4357 120.6000 57.8264 29.4235 176.3113 63 T 4.4884 7.6566 105.4084 60.0555 70.5839 175.1187 64 R 4.1509 8.6895 119.1193 56.7878 28.5770 175.9779 65 I 3.9865 7.2628 119.8824 61.3609 38.2555 175.4787 66 S 4.6454 8.8339 121.8723 57.9921 63.6245 174.3931 67 V 4.4863 9.6969 120.4733 58.7928 32.5723 174.9539 68 G 4.3776 7.4456 115.1399 44.6904 0.0000 172.9051 69 K 4.4679 8.2307 124.7218 55.7266 32.6233 177.2209 70 A 2.8573 8.1888 126.7248 52.1058 19.4920 175.9121 71 N 4.6061 8.0180 115.4925 52.1914 40.9864 174.5313 72 K 4.5867 8.4058 114.7646 56.1930 33.8874 177.4615 73 R 4.9252 8.4463 122.1150 55.0595 28.3745 175.2329 74 L 4.4187 7.6945 121.5758 54.9475 43.2887 176.1329 75 R 4.8623 8.9863 123.9964 54.4943 34.5749 173.5020 76 Y 5.1197 8.5002 122.1603 55.7767 41.7452 175.0730 77 V 4.1099 8.3210 126.1284 61.4915 34.8460 174.4564 78 D 4.2299 9.3467 125.2758 55.5055 37.9249 174.3353 79 Q 3.7583 7.0585 112.5966 56.1990 27.3365 174.0222 80 V 4.3879 6.7753 118.6113 61.0876 34.0089 174.3206 81 L 5.1203 8.5732 126.7948 53.4022 44.1445 175.3568 82 Q 5.1232 9.1410 123.2737 54.6039 33.0551 173.3208 83 L 5.1158 9.0594 125.6018 52.9118 45.0397 175.7333 84 V 4.6640 8.3263 121.6750 61.5149 34.1141 174.5656 85 Y 4.9837 8.9212 128.1892 56.9915 39.0235 175.5125 86 K 4.5682 8.5296 124.5245 54.9155 36.3015 175.2586 87 D 4.5343 8.5622 116.2425 55.6174 37.9300 174.4481 88 G 4.0499 7.9526 107.4609 45.9137 0.0000 174.3670 89 S 4.6084 8.9004 114.9086 57.2692 63.9183 173.0742 90 P 4.7850 0.0000 0.0000 63.4401 31.4535 174.9350 91 C 4.5129 8.3903 118.9234 52.7799 44.1660 172.2842 92 P 4.3512 0.0000 0.0000 63.1911 29.6027 175.4604 93 S 4.5618 7.9828 116.7128 56.4384 65.4294 175.3376 94 K 3.9969 8.8235 127.4382 58.9281 32.0470 177.8148 95 S 4.5153 8.1005 111.0435 57.8275 63.1681 174.3216 96 G 3.8219 7.8646 108.3448 46.2334 0.0000 174.1450 97 L 4.2876 7.6963 118.7157 54.5621 43.0196 176.0583 98 S 5.2128 8.2224 115.9102 56.7417 65.9040 173.9323 99 Y 4.7683 8.8465 121.1679 58.2327 39.0125 175.1984 100 K 5.2333 9.1075 121.1238 55.4837 37.0930 174.9423 101 S 5.2458 9.2473 116.9054 56.7698 66.3524 173.2365 102 V 4.5414 8.9245 124.8804 61.2241 33.5721 174.3488 103 I 4.7163 8.9722 129.1449 59.8191 39.8538 174.5187 104 S 5.0812 8.5166 124.1803 56.7979 65.0246 173.4436 105 F 5.1281 9.5739 124.9218 56.0279 40.6742 175.4466 106 V 4.6740 8.3571 117.0457 59.1030 35.0477 174.4712 107 C 4.8576 8.7806 123.8467 56.8623 39.3095 172.6906 108 R 4.5732 8.8598 126.4341 53.9990 31.5317 174.1299 109 P 4.3456 0.0000 0.0000 65.2434 32.1879 177.2360 110 E 3.7764 8.0697 116.5890 58.1209 29.1181 176.6219 *115 N 4.8937 8.4186 121.5000 54.3937 40.7746 173.7644 116 R 3.9063 7.1445 117.6128 53.1916 33.2080 172.9146 117 P 4.1185 0.0000 0.0000 62.9696 32.4584 175.3875 118 M 4.8388 8.9368 120.2152 53.4622 36.3414 174.3035 119 L 4.2649 8.6916 125.3943 54.6302 42.1471 175.9402 120 I 4.2940 8.6244 120.7716 61.9695 39.4706 175.9878 121 S 4.6052 7.6922 115.7995 56.7469 66.0096 172.8304 122 L 5.0371 8.5409 128.0790 53.3107 43.8601 175.2988 123 D 4.6929 9.3167 128.5695 53.2142 41.4662 177.2135 124 K 4.1132 8.9296 127.0650 59.2575 32.4777 179.4222 125 Q 4.1089 8.5864 120.0018 58.3293 28.9821 176.6161 126 T 4.4774 7.7160 103.9915 60.3761 70.0796 173.9714 127 C 4.3592 7.5563 117.8633 58.8612 38.0185 172.6508 128 T 5.0506 7.6650 114.5937 61.7303 71.0527 174.6494 129 L 4.5615 8.5538 127.2089 54.0433 43.2823 175.6845 130 F 5.1484 9.2484 123.7026 55.8988 41.1047 175.1099 131 F 5.4241 9.5702 122.7943 55.6218 42.4930 174.6129 132 S 5.1477 9.2682 115.2958 56.5668 66.9243 173.2112 133 W 5.2223 8.8511 131.6206 56.5707 33.5936 173.3662 134 H 5.2368 9.2159 125.7732 55.5955 28.9777 174.9379 135 T 4.9483 8.9805 117.9115 59.8933 70.7646 172.9400 136 P 4.9545 0.0000 0.0000 64.5534 31.5866 178.1155 137 L 4.0542 7.8162 118.3677 56.7818 41.5886 177.4043 138 A 4.5923 7.8415 119.6096 51.9462 19.3550 177.0983 139 C 4.9680 7.8840 114.9150 55.9667 41.8317 173.8203 140 E 4.0125 8.5473 119.5103 56.5068 29.3117 175.4233 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 6 H 8.44 4.74 0.00 3.14 3.41 0.00 5.84 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 7 D 8.21 4.42 0.00 2.90 2.74 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 0.00 8 D 7.33 4.76 0.00 2.66 2.54 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 9 C 8.66 4.16 0.00 3.18 3.09 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 10 Q 7.47 5.29 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.38 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 11 V 8.84 4.65 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 0.82 0.00 0.00 1.00 0.00 0.00 12 T 8.32 5.11 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 1.14 0.00 0.00 13 N 8.75 3.88 0.00 2.11 2.57 0.00 0.00 7.13 8.20 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 14 P 0.00 3.70 0.00 2.22 2.17 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 15 S 8.61 4.31 0.00 3.97 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 16 T 7.90 4.31 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 1.21 0.00 0.00 17 G 8.98 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 0.00 0.00 0.00 18 H 7.77 3.88 0.00 3.15 2.87 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.79 4.61 0.00 1.50 1.31 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.31 4.90 0.00 3.06 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 21 D 8.53 4.92 0.00 2.59 2.45 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 22 L 8.70 4.47 0.00 1.45 1.21 -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 23 S 9.00 4.28 0.00 3.94 4.11 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 24 S 7.98 4.28 0.00 4.02 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 25 L 7.95 4.64 0.00 1.63 1.86 -0.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.06 5.05 0.00 4.04 3.95 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 27 G 8.57 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 0.00 0.00 0.00 28 R 8.86 4.08 0.00 1.85 1.95 0.00 3.39 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 29 A 7.59 4.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.22 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 0.00 0.00 0.00 31 F 9.24 5.14 0.00 2.93 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 32 T 8.57 5.25 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 33 A 8.90 4.85 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 34 A 8.71 4.40 1.23 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 0.00 0.00 35 Y 8.84 4.67 0.00 3.02 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 36 S 8.42 3.35 0.00 3.00 3.40 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 37 E 8.78 4.08 0.00 1.89 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 2.26 2.34 0.00 38 K 7.79 4.43 0.00 1.63 1.78 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.42 7.81 39 G 7.61 4.27 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 0.00 40 L 8.24 5.40 0.00 1.79 1.71 0.11 0.24 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 41 V 8.80 4.71 2.17 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 0.91 0.00 0.00 0.79 0.00 0.00 42 Y 8.68 5.06 0.00 2.97 2.96 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 43 M 9.25 5.45 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 44 S 9.24 5.31 0.00 3.87 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 45 I 8.51 4.81 2.21 0.00 0.00 1.19 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 1.66 0.87 0.00 0.00 46 C 8.59 4.77 0.00 3.19 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 47 G 7.56 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 0.00 0.00 0.00 48 E 7.82 4.19 0.00 2.18 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 2.32 2.25 0.00 49 N 8.80 5.20 0.00 2.83 2.69 0.00 0.00 6.87 7.55 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 50 E 8.78 4.03 0.00 2.13 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 0.00 2.34 2.16 0.00 51 N 8.14 4.38 0.00 1.88 1.85 0.00 0.00 6.85 7.20 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 52 C 7.43 4.87 0.00 3.05 2.97 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 0.00 0.00 0.00 0.00 53 P 0.00 4.49 0.00 2.16 1.97 0.00 3.59 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 2.13 2.12 0.00 54 P 0.00 4.47 0.00 2.01 1.96 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 55 G 9.29 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 56 V 7.60 4.19 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 1.03 0.00 0.00 0.94 0.00 0.00 57 G 8.99 3.60 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 0.00 58 A 7.98 5.88 1.23 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 0.00 0.00 59 C 8.51 5.01 0.00 3.08 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 60 F 8.65 4.51 0.00 2.97 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 61 G 9.21 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 62 Q 8.44 4.35 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 63 T 7.66 4.49 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 1.22 0.00 0.00 64 R 8.69 4.15 0.00 2.01 2.10 0.00 3.60 0.00 0.00 3.60 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 65 I 7.26 3.99 2.10 0.00 0.00 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 1.20 0.96 1.10 0.00 0.00 66 S 8.83 4.65 0.00 3.91 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 67 V 9.70 4.49 1.83 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 -0.50 0.00 0.00 0.64 0.00 0.00 68 G 7.45 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 0.00 0.00 0.00 0.00 69 K 8.23 4.47 0.00 1.61 1.67 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.55 7.81 70 A 8.19 2.86 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 71 N 8.02 4.61 0.00 2.84 2.91 0.00 0.00 5.81 6.42 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 72 K 8.41 4.59 0.00 1.89 1.90 0.00 1.66 0.00 0.00 1.94 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.44 7.81 73 R 8.45 4.93 0.00 1.94 1.94 0.00 3.19 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 74 L 7.69 4.42 0.00 1.62 1.57 0.86 0.92 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 75 R 8.99 4.86 0.00 1.76 1.78 0.00 3.32 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 76 Y 8.50 5.12 0.00 3.00 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 77 V 8.32 4.11 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 0.86 0.00 0.00 78 D 9.35 4.23 0.00 2.68 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 79 Q 7.06 3.76 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 80 V 6.78 4.39 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 1.03 0.00 0.00 0.87 0.00 0.00 81 L 8.57 5.12 0.00 1.61 1.45 0.71 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.14 5.12 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 83 L 9.06 5.12 0.00 1.49 1.29 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.33 4.66 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 0.83 0.00 0.00 0.94 0.00 0.00 85 Y 8.92 4.98 0.00 2.84 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 86 K 8.53 4.57 0.00 1.84 1.99 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.47 7.81 87 D 8.56 4.53 0.00 2.87 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 88 G 7.95 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 0.00 0.00 0.00 89 S 8.90 4.61 0.00 4.00 4.12 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 90 P 0.00 4.79 0.00 1.99 1.99 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 91 C 8.39 4.51 0.00 2.08 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 92 P 0.00 4.35 0.00 2.07 2.10 0.00 3.61 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 2.09 2.12 0.00 93 S 7.98 4.56 0.00 3.71 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 94 K 8.82 4.00 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 95 S 8.10 4.52 0.00 3.96 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 96 G 7.86 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 0.00 0.00 0.00 97 L 7.70 4.29 0.00 1.53 1.52 0.89 0.82 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 98 S 8.22 5.21 0.00 3.72 3.77 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 99 Y 8.85 4.77 0.00 2.90 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 0.00 100 K 9.11 5.23 0.00 1.93 1.87 0.00 1.23 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.33 7.81 101 S 9.25 5.25 0.00 3.73 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 0.00 102 V 8.92 4.54 1.89 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 1.03 0.00 0.00 0.68 0.00 0.00 103 I 8.97 4.72 1.72 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.32 0.49 0.00 0.00 104 S 8.52 5.08 0.00 3.82 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 0.00 105 F 9.57 5.13 0.00 2.83 2.82 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 0.00 106 V 8.36 4.67 2.01 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 0.64 0.00 0.00 0.66 0.00 0.00 107 C 8.78 4.86 0.00 3.17 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 0.00 108 R 8.86 4.57 0.00 2.01 1.85 0.00 3.24 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 109 P 0.00 4.35 0.00 2.11 2.13 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 2.06 2.15 0.00 110 E 8.07 3.78 0.00 1.99 1.79 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 2.31 2.26 0.00 *115 N 8.42 4.89 0.00 2.89 3.05 0.00 0.00 6.61 7.65 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 0.00 116 R 7.14 3.91 0.00 1.61 1.53 0.00 3.24 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.40 0.00 117 P 0.00 4.12 0.00 1.87 1.48 0.00 3.02 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.53 0.00 118 M 8.94 4.84 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 119 L 8.69 4.26 0.00 1.47 1.69 0.15 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.62 4.29 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 1.26 0.77 0.90 0.00 0.00 121 S 7.69 4.61 0.00 3.85 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 0.00 122 L 8.54 5.04 0.00 1.75 1.65 1.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 123 D 9.32 4.69 0.00 2.98 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 0.00 124 K 8.93 4.11 0.00 1.86 1.88 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.42 7.81 125 Q 8.59 4.11 0.00 2.04 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 126 T 7.72 4.48 4.27 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 1.31 0.00 0.00 127 C 7.56 4.36 0.00 3.15 2.76 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 0.00 128 T 7.67 5.05 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 0.33 0.00 0.00 129 L 8.55 4.56 0.00 1.69 1.17 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 130 F 9.25 5.15 0.00 2.91 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 0.00 131 F 9.57 5.42 0.00 2.75 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 0.00 132 S 9.27 5.15 0.00 3.79 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 0.00 133 W 8.85 5.22 0.00 3.03 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 0.00 134 H 9.22 5.24 0.00 3.16 3.34 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.98 4.95 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 0.00 136 P 0.00 4.95 0.00 2.30 2.40 0.00 4.00 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 137 L 7.82 4.05 0.00 1.56 1.69 0.76 0.74 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 0.00 138 A 7.84 4.59 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 0.00 139 C 7.88 4.97 0.00 3.10 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 0.00 140 E 8.55 4.01 0.00 1.51 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 2.33 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.