NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2768 8.3144 120.1348 55.9277 33.0166 175.1566 2 E 3.9095 8.5211 125.5511 54.0026 30.4335 174.7711 3 T 4.0596 8.7049 118.0077 61.3966 71.8850 174.8647 4 A 4.0116 8.5008 122.9756 55.2572 18.4049 179.9011 5 A 3.9475 7.9644 118.5781 55.3843 18.5266 179.6427 6 A 4.0576 8.3025 119.5545 54.9351 18.3160 179.7749 7 K 4.1190 8.4920 120.2666 59.0847 32.2472 178.8404 8 F 4.0619 8.3793 121.0543 61.3203 39.3484 177.0163 9 E 4.0666 8.4880 118.3599 59.3808 29.0390 179.3321 10 R 3.8515 8.0366 118.0425 59.4794 30.2831 178.2232 11 Q 4.0420 8.0347 116.3630 57.6973 28.8971 176.3553 12 H 4.6629 7.7523 113.5830 54.8570 30.9477 173.1899 13 M 4.5019 7.7128 119.4575 54.1147 33.4337 176.7042 14 D 4.7423 8.0967 121.5861 53.2178 42.0285 174.5343 15 S 4.2440 7.8504 116.8169 59.4637 64.7663 175.8001 16 S 3.4569 8.3073 120.3632 59.8481 60.5920 172.5451 *23 S 4.5152 8.7745 118.5589 59.2996 63.7319 174.9331 24 N 4.8973 7.8688 115.9004 53.0115 37.3929 175.8036 25 Y 3.9538 8.0217 123.1068 61.6047 38.7855 178.7146 26 C 4.1239 8.3969 117.1839 60.0679 40.1428 175.5921 27 N 4.3947 8.2985 116.1727 56.6948 38.2169 176.9534 28 L 4.0605 7.5598 118.3831 58.0879 41.8181 179.2206 29 M 3.8673 7.4724 117.5397 57.8237 33.2513 178.0746 30 M 4.3288 7.8354 119.8819 55.5831 27.7255 177.3772 *33 R 4.1858 7.3476 113.9216 55.3246 32.4198 175.8876 34 N 4.2829 8.1811 112.9210 54.6523 35.9497 174.6554 35 L 4.5027 8.3131 116.9553 55.1729 41.8708 177.8503 36 T 5.2708 7.5287 106.0852 60.0854 69.6835 174.7754 37 K 4.0881 8.4914 121.9614 59.9815 31.9456 177.3809 38 D 4.7055 7.5354 112.7539 52.7647 42.6978 175.5829 39 R 3.8005 7.0921 117.4131 55.3905 32.6485 174.1043 40 C 4.7811 8.7028 120.2531 55.5369 40.2219 173.8788 41 K 4.0766 8.4817 127.0882 56.1996 32.4441 174.8447 42 P 4.7444 0.0000 0.0000 65.5938 32.3174 176.6431 43 V 5.1499 7.5692 109.4766 60.3204 35.8208 173.8979 44 N 4.7111 8.8996 120.2435 53.0333 42.8380 173.1481 45 T 4.8623 7.6234 118.5977 61.6017 72.1218 173.3115 46 F 4.7895 8.9372 123.6362 55.5722 42.4830 174.3831 47 V 4.6151 8.4229 121.3738 61.5645 33.3786 174.8056 48 H 4.9380 9.0110 123.8309 55.7768 29.3739 175.0669 49 E 4.3358 8.0581 118.8098 55.1740 30.6507 176.8534 50 S 4.3764 8.2631 115.0962 58.2973 64.9264 175.0109 51 L 3.9618 8.4259 123.6616 58.1670 41.8978 178.9722 52 A 3.9762 7.9386 120.3280 55.3927 18.1988 179.2261 53 D 4.3417 8.1825 116.4609 57.3752 41.1956 178.9294 54 V 3.7522 7.7922 118.8384 66.0270 31.6401 178.1958 55 Q 3.9656 8.4016 117.8522 58.7787 28.5435 178.4548 56 A 3.9931 8.1532 121.7934 54.9268 18.2221 179.5543 57 V 3.4495 7.4859 116.5216 66.3897 31.2265 176.9412 58 C 3.8618 7.7063 113.1432 57.7695 39.8807 173.8085 59 S 4.5312 7.5474 113.8147 57.9194 63.9535 173.3627 60 Q 4.1906 7.9373 118.2866 55.9671 29.4600 179.0111 61 K 4.3130 7.8130 135.0000 56.5315 32.7520 173.8180 62 N 4.0848 8.7334 127.4616 53.4492 39.3688 174.3114 63 V 4.5732 8.3278 118.2073 59.4588 36.9695 174.3492 64 A 4.3684 8.3501 124.8024 51.9989 19.1839 178.5352 65 C 4.7084 8.9236 120.0427 56.0352 41.2419 175.2361 66 K 3.8009 9.1480 121.6657 59.7549 31.5710 178.2190 67 N 4.5645 8.0673 112.9988 52.9214 37.2937 175.9103 68 G 3.9354 8.1748 108.0141 45.5977 0.0000 174.3483 69 Q 4.1983 8.5533 119.5729 56.3548 29.2328 176.4925 70 T 4.5396 8.3513 108.6698 61.6184 69.1241 174.1927 71 N 5.1022 7.9551 118.2414 53.5333 38.5737 174.7385 72 C 5.2260 7.5722 116.1806 57.1461 43.9911 172.4452 73 Y 5.0214 8.7472 117.9235 56.4330 42.0768 173.9555 74 Q 5.1729 9.3235 125.8363 54.0495 31.6041 174.7984 75 S 4.2911 8.7172 121.6375 58.4296 63.2274 174.1890 76 Y 4.5057 8.6564 120.9759 60.5723 37.9325 176.4987 77 S 4.9053 7.8142 113.7371 56.4452 65.5848 173.5516 78 T 4.1608 8.0317 111.8632 62.0762 69.6633 173.7703 79 M 5.0154 9.0102 122.3265 53.3739 36.5578 174.7245 80 S 4.8968 9.4188 117.9515 58.4018 63.8246 173.1470 81 I 5.0986 8.9369 119.7963 59.8272 42.0652 173.8766 82 T 5.0956 8.7113 117.7706 62.0858 72.3085 173.0786 83 D 5.1943 9.4858 126.7810 53.2212 43.2702 174.7639 84 C 5.5411 9.5893 120.5255 55.3109 41.5555 173.2000 85 R 5.1638 8.8712 122.0565 54.0264 33.6880 174.8454 86 E 4.0143 8.9109 123.8073 56.5320 30.0052 177.2941 87 T 4.1015 8.4230 115.5009 61.0255 69.6274 175.0385 88 G 3.6999 8.6364 110.4760 48.5892 0.0000 175.2304 89 S 4.2571 8.0066 114.5973 60.0205 63.4103 174.4146 90 S 3.8156 7.3685 113.7672 58.2962 62.5184 173.7777 91 K 4.4085 8.6386 128.2056 54.8530 34.8591 174.5957 92 Y 4.3809 8.7791 127.8907 57.7088 39.1900 174.0464 93 P 3.1391 0.0000 0.0000 62.5433 32.1149 176.5561 94 N 4.9410 8.0554 114.9794 52.6426 38.2021 173.9515 95 C 4.4955 7.8113 115.5168 57.2338 39.5028 173.7693 96 A 5.0353 8.3559 123.7424 50.8109 22.3886 174.8114 97 Y 5.1444 9.5596 118.8556 56.0835 42.3524 174.8221 98 K 4.5475 9.5499 124.1865 55.6780 34.2767 175.1766 99 T 5.1263 8.5571 123.3629 62.3094 70.5954 173.9374 100 T 4.6246 8.9356 122.9261 61.8858 71.8423 173.5020 101 Q 4.8308 8.8122 125.2111 55.5776 30.4193 174.6824 102 A 4.6536 8.6548 122.3097 51.2622 23.7526 174.9989 103 N 5.2936 8.5641 115.2166 52.0010 41.7222 174.3258 104 K 4.6787 8.8802 122.2799 55.2057 37.7396 175.2626 105 H 4.8928 9.5209 119.1021 55.6953 30.0357 175.1071 106 I 4.7828 8.4631 115.0118 59.3487 40.8269 174.4089 107 I 4.9004 7.9335 123.4799 59.6981 40.4561 175.0325 108 V 4.7026 8.6018 119.3564 59.3546 35.9104 174.5918 109 A 4.9474 8.6668 125.2581 51.1837 20.6660 175.7047 110 C 5.2340 8.5252 117.9373 55.5099 38.0677 173.2232 111 E 4.7620 8.6566 118.9415 56.4871 34.4790 175.3508 112 G 4.2063 9.5835 107.2101 44.9626 0.0000 171.9900 113 N 5.0317 8.1460 115.8632 50.6289 40.3994 172.0861 114 P 4.3587 0.0000 0.0000 62.6851 32.0164 175.8274 115 Y 4.8426 8.3083 121.1400 56.9830 38.7958 174.5123 116 V 4.5327 8.1818 119.0133 58.3788 36.8160 173.4182 117 P 4.7618 0.0000 0.0000 63.2363 31.2453 177.0577 118 V 4.4754 9.0187 115.4511 61.1940 33.9081 175.1732 119 H 4.8613 7.9411 119.7273 54.7129 33.5386 171.6703 120 F 4.6204 8.5727 127.5093 57.2041 39.3801 174.4470 121 D 4.5703 8.3270 127.0156 55.8427 42.1097 175.9685 122 A 4.4296 6.3769 119.2399 51.9481 21.4333 174.5272 123 S 5.1174 8.6864 113.3966 56.6610 65.9882 174.7566 124 V 4.0483 8.7250 115.5729 61.7046 32.1437 175.4576 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 K 8.31 4.28 0.00 1.77 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.39 7.81 2 E 8.52 3.91 0.00 2.09 1.82 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 2.39 2.38 0.00 3 T 8.70 4.06 4.26 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 1.22 0.00 0.00 4 A 8.50 4.01 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 5 A 7.96 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 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 7 K 8.49 4.12 0.00 2.00 2.02 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.31 7.81 8 F 8.38 4.06 0.00 3.23 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 9 E 8.49 4.07 0.00 2.31 2.04 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 2.50 2.66 0.00 10 R 8.04 3.85 0.00 1.77 2.05 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 11 Q 8.03 4.04 0.00 1.43 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 12 H 7.75 4.66 0.00 1.95 2.80 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.71 4.50 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.72 0.00 14 D 8.10 4.74 0.00 2.53 2.50 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 15 S 7.85 4.24 0.00 3.92 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 16 S 8.31 3.46 0.00 4.04 3.69 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 0.00 0.00 0.00 0.00 *23 S 8.77 4.52 0.00 3.88 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 24 N 7.87 4.90 0.00 3.00 3.03 0.00 0.00 5.76 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 25 Y 8.02 3.95 0.00 2.96 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 26 C 8.40 4.12 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 27 N 8.30 4.39 0.00 2.87 2.97 0.00 0.00 6.92 7.85 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 28 L 7.56 4.06 0.00 1.45 1.57 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.47 3.87 0.00 0.77 1.20 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.50 0.00 30 M 7.84 4.33 0.00 1.66 1.75 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.34 0.00 *33 R 7.35 4.19 0.00 1.98 2.07 0.00 3.56 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 34 N 8.18 4.28 0.00 2.89 2.94 0.00 0.00 7.04 7.85 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 35 L 8.31 4.50 0.00 1.75 1.65 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.53 5.27 4.42 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 1.42 0.00 0.00 37 K 8.49 4.09 0.00 1.80 1.97 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.53 7.81 38 D 7.54 4.71 0.00 2.52 2.51 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 39 R 7.09 3.80 0.00 1.55 1.59 0.00 3.14 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 40 C 8.70 4.78 0.00 3.13 3.12 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 41 K 8.48 4.08 0.00 1.92 1.80 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.43 7.81 42 P 0.00 4.74 0.00 2.15 2.11 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 43 V 7.57 5.15 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 0.67 0.00 0.00 0.94 0.00 0.00 44 N 8.90 4.71 0.00 2.61 2.29 0.00 0.00 7.08 6.73 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 45 T 7.62 4.86 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 0.82 0.00 0.00 46 F 8.94 4.79 0.00 3.04 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 47 V 8.42 4.62 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 0.87 0.00 0.00 1.07 0.00 0.00 48 H 9.01 4.94 0.00 3.15 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.06 4.34 0.00 1.99 1.92 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 2.34 2.26 0.00 50 S 8.26 4.38 0.00 4.06 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 51 L 8.43 3.96 0.00 1.79 1.71 0.93 0.91 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 52 A 7.94 3.98 1.33 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 0.00 0.00 0.00 53 D 8.18 4.34 0.00 2.80 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 54 V 7.79 3.75 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 1.05 0.00 0.00 0.98 0.00 0.00 55 Q 8.40 3.97 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 56 A 8.15 3.99 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 57 V 7.49 3.45 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 1.00 0.00 0.00 0.95 0.00 0.00 58 C 7.71 3.86 0.00 2.92 2.70 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 0.00 0.00 0.00 59 S 7.55 4.53 0.00 3.73 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 60 Q 7.94 4.19 0.00 1.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 61 K 7.81 4.31 0.00 1.81 1.77 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.65 7.81 62 N 8.73 4.08 0.00 2.72 2.60 0.00 0.00 7.01 7.71 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 63 V 8.33 4.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.81 0.00 0.00 64 A 8.35 4.37 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 65 C 8.92 4.71 0.00 3.12 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 66 K 9.15 3.80 0.00 1.96 1.89 0.00 1.95 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.38 7.81 67 N 8.07 4.56 0.00 2.79 2.89 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.17 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 0.00 0.00 0.00 69 Q 8.55 4.20 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 70 T 8.35 4.54 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 1.19 0.00 0.00 71 N 7.96 5.10 0.00 3.07 3.15 0.00 0.00 6.11 7.68 0.00 0.00 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 C 7.57 5.23 0.00 3.05 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 73 Y 8.75 5.02 0.00 2.87 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 74 Q 9.32 5.17 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 75 S 8.72 4.29 0.00 3.92 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 76 Y 8.66 4.51 0.00 3.03 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 77 S 7.81 4.91 0.00 3.89 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 78 T 8.03 4.16 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 1.01 0.00 0.00 79 M 9.01 5.02 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 80 S 9.42 4.90 0.00 3.90 3.88 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 81 I 8.94 5.10 1.95 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 1.39 0.78 1.05 0.00 0.00 82 T 8.71 5.10 4.40 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 1.28 0.00 0.00 83 D 9.49 5.19 0.00 2.58 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 84 C 9.59 5.54 0.00 2.91 2.89 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 85 R 8.87 5.16 0.00 1.87 1.83 0.00 3.24 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 86 E 8.91 4.01 0.00 1.94 1.76 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 1.91 1.89 0.00 87 T 8.42 4.10 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 1.19 0.00 0.00 88 G 8.64 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.01 4.26 0.00 3.85 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 90 S 7.37 3.82 0.00 3.83 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 91 K 8.64 4.41 0.00 1.87 1.58 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.40 7.81 92 Y 8.78 4.38 0.00 3.13 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 93 P 0.00 3.14 0.00 1.73 1.16 0.00 3.59 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 94 N 8.06 4.94 0.00 2.77 2.72 0.00 0.00 7.05 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 95 C 7.81 4.50 0.00 3.13 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 96 A 8.36 5.04 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 97 Y 9.56 5.14 0.00 2.93 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 98 K 9.55 4.55 0.00 1.84 1.72 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 99 T 8.56 5.13 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 1.30 0.00 0.00 100 T 8.94 4.62 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 1.23 0.00 0.00 101 Q 8.81 4.83 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 102 A 8.65 4.65 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 0.00 103 N 8.56 5.29 0.00 2.54 2.71 0.00 0.00 6.67 7.61 0.00 0.00 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 K 8.88 4.68 0.00 1.73 1.93 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.47 7.81 105 H 9.52 4.89 0.00 3.09 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.46 4.78 1.61 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 1.09 0.00 0.00 107 I 7.93 4.90 1.67 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 1.14 0.64 0.82 0.00 0.00 108 V 8.60 4.70 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 0.54 0.00 0.00 0.87 0.00 0.00 109 A 8.67 4.95 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 0.00 110 C 8.53 5.23 0.00 2.06 1.77 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 0.00 111 E 8.66 4.76 0.00 1.91 1.85 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 2.21 2.19 0.00 112 G 9.58 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 0.00 0.00 0.00 0.00 113 N 8.15 5.03 0.00 2.66 2.71 0.00 0.00 6.94 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 0.00 114 P 0.00 4.36 0.00 2.24 2.06 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 115 Y 8.31 4.84 0.00 2.85 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 0.00 116 V 8.18 4.53 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 0.68 0.00 0.00 0.95 0.00 0.00 117 P 0.00 4.76 0.00 1.91 1.94 0.00 3.56 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 118 V 9.02 4.48 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 1.01 0.00 0.00 119 H 7.94 4.86 0.00 3.20 3.07 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.57 4.62 0.00 2.97 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 0.00 121 D 8.33 4.57 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.38 4.43 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 0.00 123 S 8.69 5.12 0.00 4.04 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 0.00 124 V 8.73 4.05 2.09 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 0.67 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.