NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 5.3318 8.3493 120.5035 54.5643 42.1364 174.2099 2 K 4.5817 9.5880 122.6555 55.0066 36.3627 169.3582 3 V 5.0186 9.3218 121.9731 61.5878 34.4298 175.8447 4 T 4.6686 9.4838 124.1892 62.0091 71.2246 173.2005 5 Q 5.2467 8.7187 125.1765 53.4173 29.8598 175.6109 6 S 4.4412 8.7654 118.3643 59.0794 63.5297 175.1040 7 S 4.3614 7.8698 117.9849 57.3356 63.2635 172.4158 8 P 4.5781 0.0000 0.0000 62.0970 32.1210 175.6208 9 D 4.8448 8.4298 119.3054 54.5956 41.5585 175.9142 10 Q 4.7054 9.1814 119.6307 54.7000 32.4762 174.0423 11 T 5.1150 8.5107 116.9435 62.0854 71.1483 173.7426 12 V 4.6382 9.0082 118.8174 59.3247 36.6672 174.8849 13 A 4.5510 8.4161 123.8561 51.2188 19.9103 177.2881 14 S 4.1363 8.4840 115.4393 59.8996 62.8932 175.0886 15 G 3.9175 8.9293 115.4461 45.1555 0.0000 173.6609 16 S 4.5165 7.6273 115.7957 57.9567 64.9564 172.2302 17 E 5.0185 8.4913 120.8468 54.7452 31.7095 175.4544 18 V 4.5084 8.5734 118.6838 59.4691 36.2739 174.6214 19 V 4.5588 8.1425 122.2234 61.1171 34.1608 174.3576 20 L 4.6301 8.7721 128.3393 53.0124 43.5851 175.8508 21 L 4.8345 9.1833 124.8331 54.6663 43.4876 175.2368 22 C 5.5562 9.0395 121.2000 55.8836 45.6938 172.5320 23 T 5.4233 9.4174 115.8622 60.1108 71.9849 172.1411 24 Y 5.3341 8.1428 122.0349 55.3806 40.9400 174.9703 25 D 4.6564 9.3940 121.0007 52.9553 43.7772 173.9066 26 T 5.1384 8.1258 119.1374 60.4345 70.3957 174.1975 27 V 3.6798 8.3926 118.9085 62.7814 32.0031 176.1520 28 Y 4.6548 6.9475 118.0087 56.5245 39.2036 175.6381 29 S 4.4058 8.5563 119.1375 58.5384 64.6503 173.5342 30 N 4.0426 8.5918 119.0449 54.1269 36.7535 172.1575 31 P 4.4768 0.0000 0.0000 62.1702 33.2342 176.3208 32 D 4.3819 8.5689 120.2502 54.3950 41.9821 175.1939 33 L 4.8048 8.1407 124.0068 53.0556 44.1966 175.6655 34 F 5.7470 9.4153 119.7612 56.0248 44.4228 173.5417 35 W 5.6263 9.4601 119.9836 55.5534 32.5297 174.2927 36 Y 5.5867 9.9892 122.2275 56.2517 42.0326 174.7388 37 R 5.2763 9.3588 116.8656 54.8330 33.4930 173.9830 38 I 4.8222 9.0313 123.6330 60.1106 38.6883 175.9113 39 R 4.6121 8.7628 126.7097 54.4560 31.1633 175.8216 40 P 4.1667 0.0000 0.0000 65.8483 31.3244 177.0817 41 D 4.2705 7.8841 114.8528 53.2869 39.3245 176.8046 42 Y 4.1245 8.2648 117.9412 58.1617 37.1919 169.7126 43 S 4.3201 8.0967 115.4102 58.5175 64.3139 173.3251 44 F 5.5691 8.9704 125.5668 57.1109 40.4384 174.1967 45 Q 4.8167 9.4186 126.7039 54.3496 30.7566 175.1494 46 F 4.2537 9.0898 126.3757 58.4896 39.9257 173.7750 47 V 3.8764 7.9904 124.6215 63.9287 33.7219 175.1041 48 F 4.9047 7.2090 117.0823 56.0948 43.6426 172.4629 49 Y 5.2821 9.1891 122.7402 56.2114 42.6635 174.3229 50 G 3.9823 6.5199 108.0199 45.8828 0.0000 172.7199 51 D 4.7775 7.9047 121.3563 51.2546 42.0868 175.8042 52 D 4.2009 9.0982 118.1704 55.7077 39.4011 176.8338 53 S 4.6951 7.5190 112.3255 57.7813 64.3533 173.6350 54 R 4.6725 8.2271 117.0116 55.4541 32.1221 173.6175 55 S 5.2996 8.3585 112.5270 57.0476 66.6940 172.9497 56 E 4.6105 9.8655 122.2504 55.1622 32.9212 174.6479 57 G 3.0739 8.3696 113.5199 43.2909 0.0000 172.9849 57A A 4.3496 7.5551 122.2949 51.3896 18.9905 178.4985 57B D 4.2967 9.0525 119.4515 57.6963 40.9174 179.3858 57C F 4.2458 8.0476 110.9091 58.3511 37.9739 175.8646 57D T 3.8656 7.2702 111.6927 61.9346 69.0953 173.3968 57E Q 3.9162 7.0549 121.8931 58.1005 28.2540 177.4824 58 G 4.0916 9.1034 112.3574 45.0385 0.0000 172.9294 59 R 4.7813 8.1001 116.8188 55.1985 32.7440 175.8886 60 F 5.4404 8.3412 116.6176 55.8247 42.0065 174.9358 61 S 4.4083 8.6208 114.9808 57.3948 66.4135 173.5965 62 V 4.3011 7.4852 114.1172 59.6911 34.5305 176.0573 63 K 4.2686 8.7640 124.1309 55.0906 32.8829 173.7058 64 H 5.4888 8.5299 123.5726 54.5486 29.9964 173.7280 65 I 4.2084 8.1719 126.7471 59.7408 37.7409 176.3983 66 L 3.9618 8.7575 128.3917 58.1878 41.4217 179.6821 67 T 3.9418 7.9524 106.8023 63.8816 68.6752 174.9046 68 Q 4.4026 7.7214 118.6419 54.2130 30.4650 175.1560 69 K 3.3382 7.9884 118.9075 57.2489 30.3916 174.3781 70 A 5.2309 7.7358 118.3901 49.9376 21.8450 177.4132 71 F 5.4259 8.6063 121.1609 57.4763 38.6195 174.3496 72 H 4.9267 8.6023 118.8459 55.8930 30.7414 175.7650 73 L 4.4739 8.5706 124.4324 53.0595 44.1916 175.0544 74 V 4.5561 8.5852 126.1595 60.9861 34.4473 173.9718 75 I 4.3554 8.3097 128.7442 59.3612 39.6127 174.9797 76 S 4.5287 9.1310 123.4925 56.7759 64.9595 171.5248 77 P 4.8163 0.0000 0.0000 61.6323 33.1729 175.6763 78 V 4.1720 8.5189 120.6780 61.2009 33.4658 175.0889 79 R 4.9677 9.6839 120.9799 54.4252 34.1309 176.8823 80 T 3.8505 8.6837 116.7240 66.9515 68.4483 176.3090 81 E 4.1926 8.1640 116.3192 57.9716 29.5690 176.8188 82 D 4.8506 8.1425 119.1915 54.7781 41.4073 176.5512 83 S 4.5421 8.2146 116.8173 59.3935 63.3211 173.6205 84 A 4.3779 8.3635 125.5516 52.3574 23.9684 174.1949 85 T 5.0160 8.1075 115.0183 62.4103 70.8551 173.8215 86 Y 5.2198 9.4749 125.4652 57.2203 39.9583 174.1998 87 Y 5.3248 10.1084 122.2099 56.5003 41.0758 174.1006 88 C 4.4636 9.3287 124.5829 55.6045 41.1609 172.0292 89 A 5.0692 8.7092 125.1038 51.3137 22.9338 174.9374 90 F 6.0893 8.4502 112.8229 54.9858 41.6672 173.8815 91 T 4.9364 8.7641 110.1509 60.4123 70.9339 174.1987 92 L 4.3043 8.5093 123.0800 53.9123 43.4900 174.5579 *98 P 4.2980 0.0000 0.0000 61.5828 32.4335 174.8610 99 P 4.7736 0.0000 0.0000 61.8290 31.8406 175.3712 100 P 4.3673 0.0000 0.0000 65.3038 31.1321 178.3005 101 T 3.8326 7.9852 115.7261 66.1017 68.4860 175.7436 102 D 4.9778 7.8874 117.7130 52.8787 39.2868 173.9847 103 K 4.3226 7.3186 116.5595 56.8746 33.8245 176.3437 104 L 4.4578 8.1323 121.8696 54.1432 43.2203 176.3147 105 I 4.2489 7.8799 123.4195 59.5682 39.3872 174.8083 106 F 5.1941 8.8473 125.6850 55.8765 41.3142 175.9973 107 G 4.1789 8.8341 109.4686 45.3213 0.0000 174.0368 108 K 4.3446 8.8246 118.1314 57.3801 32.4578 178.8808 109 G 3.4779 9.1746 104.1917 45.6674 0.0000 172.9560 110 T 4.7267 8.4417 116.4388 61.6036 72.5945 173.1844 111 R 4.7372 9.3775 128.2042 55.8018 31.9517 175.1923 112 V 4.7462 9.1950 126.1992 61.6179 34.4560 174.0384 113 T 4.7647 9.2436 125.9123 61.9419 70.5550 173.8503 114 V 4.7784 8.7141 127.9312 61.0814 32.8765 175.1306 115 E 4.3158 9.4804 129.7570 55.1627 30.6395 175.7963 116 P 4.3963 0.0000 0.0000 63.0652 31.4769 176.1036 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 D 8.35 5.33 0.00 2.79 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 2 K 9.59 4.58 0.00 1.88 1.95 0.00 1.33 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.54 7.81 3 V 9.32 5.02 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 0.98 0.00 0.00 1.18 0.00 0.00 4 T 9.48 4.67 4.32 0.00 0.00 0.00 0.00 0.00 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 5 Q 8.72 5.25 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.08 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 6 S 8.77 4.44 0.00 3.91 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 7 S 7.87 4.36 0.00 3.92 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 8 P 0.00 4.58 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 9 D 8.43 4.84 0.00 2.60 2.67 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 0.00 0.00 0.00 0.00 10 Q 9.18 4.71 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 11 T 8.51 5.11 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 1.24 0.00 0.00 12 V 9.01 4.64 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 0.74 0.00 0.00 0.94 0.00 0.00 13 A 8.42 4.55 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 14 S 8.48 4.14 0.00 3.99 3.78 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 15 G 8.93 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 16 S 7.63 4.52 0.00 3.74 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 17 E 8.49 5.02 0.00 1.85 1.71 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 2.05 2.32 0.00 18 V 8.57 4.51 1.91 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 0.56 0.00 0.00 0.65 0.00 0.00 19 V 8.14 4.56 1.97 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 0.70 0.00 0.00 0.82 0.00 0.00 20 L 8.77 4.63 0.00 0.91 1.47 0.73 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 21 L 9.18 4.83 0.00 1.66 1.68 0.74 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 C 9.04 5.56 0.00 3.18 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.42 5.42 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 1.27 0.00 0.00 24 Y 8.14 5.33 0.00 2.81 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 25 D 9.39 4.66 0.00 2.76 2.71 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 26 T 8.13 5.14 3.59 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 0.93 0.00 0.00 27 V 8.39 3.68 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 0.58 0.00 0.00 0.06 0.00 0.00 28 Y 6.95 4.65 0.00 2.92 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 29 S 8.56 4.41 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 30 N 8.59 4.04 0.00 2.83 2.77 0.00 0.00 7.06 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 31 P 0.00 4.48 0.00 1.96 1.81 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 32 D 8.57 4.38 0.00 2.85 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 33 L 8.14 4.80 0.00 0.27 0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 34 F 9.42 5.75 0.00 3.16 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 35 W 9.46 5.63 0.00 3.40 3.20 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 36 Y 9.99 5.59 0.00 3.16 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 37 R 9.36 5.28 0.00 1.15 1.33 0.00 2.48 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 38 I 9.03 4.82 1.97 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.00 0.90 0.00 0.00 39 R 8.76 4.61 0.00 2.05 1.83 0.00 3.24 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 40 P 0.00 4.17 0.00 1.98 2.10 0.00 3.66 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 2.03 2.10 0.00 41 D 7.88 4.27 0.00 2.66 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 42 Y 8.26 4.12 0.00 3.13 3.10 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 43 S 8.10 4.32 0.00 4.01 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 44 F 8.97 5.57 0.00 2.95 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 45 Q 9.42 4.82 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 46 F 9.09 4.25 0.00 3.05 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 47 V 7.99 3.88 2.31 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 0.76 0.00 0.00 1.18 0.00 0.00 48 F 7.21 4.90 0.00 2.94 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 49 Y 9.19 5.28 0.00 3.40 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 50 G 6.52 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 0.00 0.00 0.00 51 D 7.90 4.78 0.00 3.02 2.66 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 0.00 0.00 0.00 0.00 52 D 9.10 4.20 0.00 2.71 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 53 S 7.52 4.70 0.00 3.84 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 54 R 8.23 4.67 0.00 2.03 2.06 0.00 2.80 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 55 S 8.36 5.30 0.00 4.21 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 56 E 9.87 4.61 0.00 2.17 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 0.00 2.27 2.29 0.00 57 G 8.37 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 0.00 0.00 0.00 57A A 7.56 4.35 1.05 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 57B D 9.05 4.30 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 57C F 8.05 4.25 0.00 3.13 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 57D T 7.27 3.87 3.97 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 -0.33 0.00 0.00 57E Q 7.05 3.92 0.00 1.95 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 58 G 9.10 4.09 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 0.00 0.00 0.00 59 R 8.10 4.78 0.00 1.95 1.82 0.00 3.14 0.00 0.00 3.39 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 60 F 8.34 5.44 0.00 2.91 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 61 S 8.62 4.41 0.00 3.74 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 62 V 7.49 4.30 1.21 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 -0.28 0.00 0.00 0.49 0.00 0.00 63 K 8.76 4.27 0.00 1.62 1.73 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.25 7.81 64 H 8.53 5.49 0.00 3.40 3.33 0.00 5.55 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.17 4.21 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.63 0.92 0.00 0.00 66 L 8.76 3.96 0.00 1.66 1.72 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.95 3.94 4.22 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 1.20 0.00 0.00 68 Q 7.72 4.40 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 69 K 7.99 3.34 0.00 1.52 0.87 0.00 1.24 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.23 7.81 70 A 7.74 5.23 1.08 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 71 F 8.61 5.43 0.00 2.91 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 72 H 8.60 4.93 0.00 3.14 3.23 0.00 5.63 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 73 L 8.57 4.47 0.00 0.27 0.16 0.60 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.59 4.56 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 0.77 0.00 0.00 0.78 0.00 0.00 75 I 8.31 4.36 1.46 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.08 -0.13 0.00 0.00 76 S 9.13 4.53 0.00 3.71 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 77 P 0.00 4.82 0.00 2.06 1.98 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 78 V 8.52 4.17 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 0.76 0.00 0.00 0.94 0.00 0.00 79 R 9.68 4.97 0.00 1.86 2.00 0.00 3.33 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 80 T 8.68 3.85 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 1.28 0.00 0.00 81 E 8.16 4.19 0.00 2.07 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 0.00 2.36 2.33 0.00 82 D 8.14 4.85 0.00 2.91 3.02 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 83 S 8.21 4.54 0.00 3.92 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 84 A 8.36 4.38 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 85 T 8.11 5.02 4.34 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 0.97 0.00 0.00 86 Y 9.47 5.22 0.00 3.11 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 87 Y 10.11 5.32 0.00 3.45 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.33 4.46 0.00 1.46 2.61 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 0.00 0.00 0.00 0.00 89 A 8.71 5.07 0.98 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 0.00 0.00 90 F 8.45 6.09 0.00 3.08 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 91 T 8.76 4.94 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 1.25 0.00 0.00 92 L 8.51 4.30 0.00 1.57 1.53 0.95 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *98 P 0.00 4.30 0.00 1.87 1.82 0.00 2.81 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.74 0.00 99 P 0.00 4.77 0.00 2.01 1.96 0.00 3.63 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 2.08 0.00 100 P 0.00 4.37 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 101 T 7.99 3.83 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 1.21 0.00 0.00 102 D 7.89 4.98 0.00 2.83 2.72 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 0.00 103 K 7.32 4.32 0.00 1.73 1.70 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.63 7.81 104 L 8.13 4.46 0.00 1.15 0.66 0.53 0.29 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 0.00 105 I 7.88 4.25 0.56 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 0.83 0.98 0.72 0.00 0.00 106 F 8.85 5.19 0.00 2.89 2.98 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 0.00 107 G 8.83 4.18 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 0.00 0.00 0.00 108 K 8.82 4.34 0.00 1.85 1.96 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 109 G 9.17 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 0.00 0.00 0.00 110 T 8.44 4.73 4.41 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 1.31 0.00 0.00 111 R 9.38 4.74 0.00 1.93 1.83 0.00 3.07 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 112 V 9.20 4.75 2.26 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 0.90 0.00 0.00 0.82 0.00 0.00 113 T 9.24 4.76 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 1.23 0.00 0.00 114 V 8.71 4.78 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 0.78 0.00 0.00 1.00 0.00 0.00 115 E 9.48 4.32 0.00 1.93 1.86 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 2.33 2.37 0.00 116 P 0.00 4.40 0.00 2.18 2.04 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 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.