NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 S 4.5929 8.3349 117.0992 58.0986 65.2630 175.5680 0 H 4.6160 8.1386 121.8427 55.0180 28.1510 173.8579 2 Y 5.1471 9.0828 123.0006 57.6973 43.3889 173.0954 3 Y 5.3298 9.3091 118.4651 56.3959 42.9023 174.4893 4 V 4.5337 8.9211 122.8826 60.3066 34.0482 174.7232 5 I 4.8208 9.0274 125.7388 59.7096 39.7294 174.4460 6 F 5.3824 9.5760 131.2184 56.5219 41.0440 173.4445 7 A 4.6806 8.6859 128.5002 50.3059 21.1668 175.4282 8 Q 4.8635 8.7081 120.3033 54.1073 31.8101 175.1347 9 D 5.2224 8.8149 123.6571 53.5983 42.8452 175.8808 10 I 4.1863 8.5574 123.3818 60.4685 37.5122 174.7641 11 P 4.2518 0.0000 0.0000 64.0198 31.8606 175.3020 12 N 4.2557 8.6805 115.5527 55.4073 35.7245 174.7784 13 T 4.6205 7.5152 103.7944 61.2094 69.8655 176.2143 14 L 3.9946 8.0266 124.9484 58.6618 41.5166 178.3868 15 E 3.9277 8.1074 118.8938 59.3712 29.6970 178.9748 16 K 3.9936 7.9252 117.9485 59.2746 31.9620 179.3183 17 R 3.4776 7.7525 117.8428 59.0104 30.2931 178.5668 18 L 4.1248 8.0635 119.8217 58.0698 41.9393 178.5791 19 A 4.1076 7.9906 119.6741 54.5088 18.4279 178.7071 20 V 4.8458 7.4572 107.8560 60.2460 32.7063 177.8838 21 R 4.0125 7.9678 123.9671 59.1774 29.8321 178.2254 22 E 3.9617 8.1340 117.7429 59.5236 29.5218 179.2500 23 Q 3.9400 7.9412 117.6127 58.9980 28.7670 177.9846 24 H 3.7738 8.1331 119.3261 59.3267 29.7627 177.4065 25 L 4.0398 8.2061 120.7228 57.5282 41.3517 179.2771 26 A 3.9980 8.0716 120.9424 55.3292 18.2667 179.9460 27 R 4.0334 7.6530 115.1202 59.3164 30.0448 179.3066 28 L 4.1656 7.9455 118.5051 57.6787 41.6718 179.3188 29 K 3.9243 8.4551 118.9307 59.5124 31.9209 179.1527 30 Q 3.9476 8.0832 119.7808 59.1343 28.9727 178.1453 31 L 3.8585 7.9497 120.0847 57.8491 41.5423 179.3109 32 Q 3.8908 8.3705 119.4196 59.1459 28.7690 178.1897 33 A 3.9864 8.0636 120.9221 54.6694 18.4540 178.4398 34 E 4.2215 7.6395 114.1679 55.6183 29.8534 176.0626 35 N 4.2256 8.0393 115.5512 54.7094 36.6690 174.9646 36 R 4.5263 7.9432 116.2087 55.1507 32.1704 175.5597 37 L 4.6245 7.6390 121.7410 53.5975 42.6387 175.6914 38 L 4.2504 8.9656 129.6023 57.8757 42.3907 176.4248 39 T 4.6603 7.6480 110.5797 61.6488 70.8044 171.0965 40 A 5.0377 7.5933 124.4153 50.6430 22.1908 176.0169 41 G 3.9902 7.9296 109.9994 44.7611 0.0000 170.1973 42 P 4.9071 0.0000 0.0000 62.4173 33.0058 175.9045 43 N 4.9816 9.1252 118.4175 50.8125 39.6799 172.8043 44 P 4.8092 0.0000 0.0000 63.0059 31.7647 176.8531 45 A 4.2109 8.8186 125.4872 53.1260 18.9186 177.0034 46 I 4.5975 7.1674 107.5236 58.6828 41.2581 175.5432 47 D 4.6547 8.3040 120.5517 52.2082 39.5161 175.1135 48 D 4.6681 7.2954 118.2213 52.9438 44.6875 174.8523 49 E 4.2314 8.9303 124.1966 58.2677 30.2774 176.9542 50 N 4.9567 8.3604 118.6313 50.9950 37.9727 172.5900 51 P 4.2878 0.0000 0.0000 62.8705 33.4385 178.5153 52 S 3.3544 7.7831 114.3384 58.8468 61.5784 174.1283 53 E 3.8481 9.0018 116.1789 58.7176 29.2705 177.9820 54 A 3.9558 7.8330 120.9036 52.7723 19.2839 179.3016 55 G 3.4150 7.9604 105.3379 45.6288 0.0000 172.4687 56 F 5.3242 8.3798 118.7790 56.1179 42.8562 174.7173 57 T 4.4946 10.2219 111.1876 60.8156 69.7828 175.1463 58 G 4.0984 6.9353 108.7889 46.6890 0.0000 171.0223 59 S 5.2155 7.7215 114.3355 57.5312 68.3680 173.5007 60 T 5.2450 9.1790 117.4761 62.0782 72.4786 173.4449 61 V 4.9425 9.0937 125.4439 61.1504 35.4479 174.1016 62 I 5.2018 8.7341 127.2470 59.6372 40.2961 174.4032 63 A 5.0258 9.0095 127.2735 50.9046 22.8596 174.8419 64 Q 4.3935 8.6008 119.0085 55.3254 30.1892 175.7594 65 F 4.6773 8.6317 120.1884 55.5835 43.3471 174.7348 66 E 4.1943 9.0075 121.3871 59.5023 29.5920 177.2038 67 N 4.7336 7.4012 115.6967 51.5994 40.6556 175.0100 68 L 3.3379 8.1232 121.5655 58.2185 42.0420 178.5263 69 Q 3.8393 8.0204 118.7830 58.9377 28.9941 177.7946 70 A 3.9269 8.4598 121.9560 54.9143 18.3321 179.4566 71 A 2.5800 7.3092 119.1751 54.6253 18.3149 180.0022 72 K 3.8387 7.9325 117.1632 59.6661 31.8765 179.3495 73 D 4.3262 8.1085 118.4531 57.0176 41.0091 178.3120 74 W 4.3391 8.2966 128.6969 60.4802 30.7380 177.7909 75 A 4.0850 8.4312 120.6449 55.2838 17.6232 179.4944 76 A 4.0582 7.9879 117.9598 54.7054 18.4996 178.8606 77 Q 4.1210 7.2655 114.0469 55.2076 29.6460 175.7828 78 D 4.0698 7.3859 121.5443 53.3423 42.0521 175.1728 79 P 4.1492 0.0000 0.0000 66.1783 31.3080 178.3369 80 Y 4.2064 8.3227 115.2002 60.0442 37.5660 178.4011 81 V 3.6969 7.6820 119.9309 66.0297 31.5432 177.5021 82 E 3.9017 8.1021 116.8939 59.1695 29.5868 177.8141 83 A 4.2867 8.0425 118.2646 52.2522 18.7376 177.9652 84 G 3.8086 7.7603 105.2951 46.0173 0.0000 175.3952 85 V 3.5819 7.6474 121.2768 65.3793 31.7736 175.3842 86 Y 5.1602 7.7002 116.7151 57.5890 38.0930 175.7389 87 A 4.3256 9.3232 127.2164 54.3406 19.6635 177.2338 88 D 4.7530 7.7913 113.5859 52.7270 45.2097 174.1066 89 V 4.7006 8.2957 123.8216 61.2740 34.5100 174.1959 90 I 4.5310 8.7356 129.0333 59.6722 39.3655 174.7704 91 V 5.0161 8.4678 126.1260 61.1169 33.8417 174.6475 92 K 4.9090 9.1430 126.4828 53.7122 36.2188 174.2549 93 P 4.4643 0.0000 0.0000 63.1025 32.4486 175.5852 94 F 4.8777 8.7265 123.7201 56.5344 42.7445 173.5361 95 K 4.0350 8.2932 127.7697 54.6046 31.8962 176.1772 96 K 3.2936 7.8637 128.9642 55.5360 31.3024 176.2458 97 V 3.6497 7.9765 126.6270 64.2642 32.1382 175.9116 98 F 4.3434 8.0065 121.3607 57.5062 39.3278 174.9032 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 S 8.33 4.59 0.00 3.59 3.71 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 0 H 8.14 4.62 0.00 3.00 2.84 0.00 5.81 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 9.08 5.15 0.00 3.16 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 3 Y 9.31 5.33 0.00 3.16 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 4 V 8.92 4.53 1.80 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 0.69 0.00 0.00 0.84 0.00 0.00 5 I 9.03 4.82 2.06 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.89 1.05 0.00 0.00 6 F 9.58 5.38 0.00 2.92 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 7 A 8.69 4.68 0.24 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 8 Q 8.71 4.86 0.00 1.78 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 9 D 8.81 5.22 0.00 2.79 2.60 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 10 I 8.56 4.19 1.97 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 1.33 0.90 0.90 0.00 0.00 11 P 0.00 4.25 0.00 2.02 1.99 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 12 N 8.68 4.26 0.00 2.86 2.90 0.00 0.00 6.77 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 13 T 7.52 4.62 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 1.24 0.00 0.00 14 L 8.03 3.99 0.00 1.70 1.77 0.93 0.91 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 15 E 8.11 3.93 0.00 1.99 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 2.37 2.34 0.00 16 K 7.93 3.99 0.00 1.72 1.78 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.53 7.81 17 R 7.75 3.48 0.00 1.85 1.88 0.00 3.21 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.18 0.00 18 L 8.06 4.12 0.00 1.80 1.85 0.95 1.22 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 19 A 7.99 4.11 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 20 V 7.46 4.85 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 1.07 0.00 0.00 1.12 0.00 0.00 21 R 7.97 4.01 0.00 2.24 1.98 0.00 3.22 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 22 E 8.13 3.96 0.00 2.01 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 2.41 2.35 0.00 23 Q 7.94 3.94 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 24 H 8.13 3.77 0.00 2.26 3.04 0.00 5.78 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 25 L 8.21 4.04 0.00 1.84 1.70 0.94 1.07 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 26 A 8.07 4.00 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 27 R 7.65 4.03 0.00 1.99 2.25 0.00 2.87 0.00 0.00 2.92 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 28 L 7.95 4.17 0.00 1.87 1.76 0.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.46 3.92 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 30 Q 8.08 3.95 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 31 L 7.95 3.86 0.00 1.79 1.47 0.11 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.37 3.89 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 33 A 8.06 3.99 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 34 E 7.64 4.22 0.00 1.97 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 0.00 2.27 2.46 0.00 35 N 8.04 4.23 0.00 2.82 2.89 0.00 0.00 6.80 8.43 0.00 0.00 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 7.94 4.53 0.00 1.62 1.53 0.00 2.88 0.00 0.00 3.08 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.38 0.00 37 L 7.64 4.62 0.00 1.53 1.54 0.97 0.97 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 38 L 8.97 4.25 0.00 1.87 1.89 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.65 4.66 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 1.19 0.00 0.00 40 A 7.59 5.04 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 41 G 7.93 3.99 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 0.00 0.00 0.00 42 P 0.00 4.91 0.00 1.21 1.50 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.44 0.00 43 N 9.13 4.98 0.00 2.79 2.91 0.00 0.00 7.41 7.58 0.00 0.00 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 P 0.00 4.81 0.00 2.10 2.07 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 45 A 8.82 4.21 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 46 I 7.17 4.60 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 1.22 0.73 0.87 0.00 0.00 47 D 8.30 4.65 0.00 2.64 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 48 D 7.30 4.67 0.00 2.62 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 49 E 8.93 4.23 0.00 2.18 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 2.30 2.37 0.00 50 N 8.36 4.96 0.00 2.83 2.80 0.00 0.00 7.00 7.69 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 51 P 0.00 4.29 0.00 1.97 2.09 0.00 3.88 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 1.42 1.24 0.00 52 S 7.78 3.35 0.00 3.98 3.48 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 0.00 0.00 0.00 0.00 53 E 9.00 3.85 0.00 1.92 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 2.27 2.30 0.00 54 A 7.83 3.96 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 55 G 7.96 3.41 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 0.00 56 F 8.38 5.32 0.00 3.02 3.04 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 57 T 10.22 4.49 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 1.22 0.00 0.00 58 G 6.94 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 59 S 7.72 5.22 0.00 3.81 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 60 T 9.18 5.25 4.33 0.00 0.00 0.00 0.00 0.00 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 61 V 9.09 4.94 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 1.07 0.00 0.00 1.17 0.00 0.00 62 I 8.73 5.20 1.81 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.46 0.92 0.00 0.00 63 A 9.01 5.03 0.93 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 0.00 0.00 64 Q 8.60 4.39 0.00 1.58 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.57 0.00 0.00 0.00 0.00 0.00 1.29 1.24 0.00 65 F 8.63 4.68 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 66 E 9.01 4.19 0.00 2.01 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 2.37 2.29 0.00 67 N 7.40 4.73 0.00 2.95 2.92 0.00 0.00 6.37 6.67 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 68 L 8.12 3.34 0.00 1.94 1.73 1.03 0.79 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 69 Q 8.02 3.84 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 70 A 8.46 3.93 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 71 A 7.31 2.58 0.57 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 0.00 0.00 72 K 7.93 3.84 0.00 1.88 1.83 0.00 1.64 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 1.43 1.54 7.81 73 D 8.11 4.33 0.00 2.77 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 74 W 8.30 4.34 0.00 3.49 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 75 A 8.43 4.09 1.50 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 0.00 0.00 0.00 76 A 7.99 4.06 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 77 Q 7.27 4.12 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 78 D 7.39 4.07 0.00 2.75 2.49 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 0.00 79 P 0.00 4.15 0.00 1.87 1.97 0.00 3.34 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 2.03 2.04 0.00 80 Y 8.32 4.21 0.00 2.05 1.55 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 81 V 7.68 3.70 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 1.01 0.00 0.00 1.14 0.00 0.00 82 E 8.10 3.90 0.00 1.95 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 2.27 2.36 0.00 83 A 8.04 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 84 G 7.76 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 85 V 7.65 3.58 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 0.47 0.00 0.00 0.55 0.00 0.00 86 Y 7.70 5.16 0.00 2.91 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 87 A 9.32 4.33 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 88 D 7.79 4.75 0.00 2.68 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 89 V 8.30 4.70 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 0.86 0.00 0.00 0.88 0.00 0.00 90 I 8.74 4.53 2.02 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 1.17 0.51 1.01 0.00 0.00 91 V 8.47 5.02 2.10 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 0.88 0.00 0.00 0.96 0.00 0.00 92 K 9.14 4.91 0.00 1.78 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 93 P 0.00 4.46 0.00 1.96 1.98 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 94 F 8.73 4.88 0.00 2.99 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 95 K 8.29 4.03 0.00 1.59 1.50 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.26 7.81 96 K 7.86 3.29 0.00 1.17 1.43 0.00 1.48 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.26 7.81 97 V 7.98 3.65 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 0.50 0.00 0.00 0.82 0.00 0.00 98 F 8.01 4.34 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.