NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4291 8.2929 115.4119 57.8591 64.0968 175.0928 5 S 4.0056 8.3624 119.8090 62.4140 61.8184 173.8503 6 S 4.3431 8.7658 116.6676 61.8430 62.6571 175.9207 7 T 3.9293 7.6253 117.1503 66.2822 68.1897 176.8322 8 K 3.9663 7.8330 121.2797 59.1029 32.0773 178.8805 9 K 3.9583 7.7816 119.2321 59.8113 32.1310 178.9870 10 T 3.8644 7.6999 116.1953 66.5347 68.4286 176.4450 11 Q 3.9431 8.1821 121.6178 59.2430 29.0967 178.3905 12 L 4.0676 8.0493 120.0121 57.6333 41.6459 179.4120 13 Q 4.0363 8.4008 118.4410 59.0882 28.6567 178.9478 14 L 4.0703 7.9660 119.9607 57.8097 41.7559 179.4377 15 E 3.9888 8.1700 118.3366 59.4944 29.3556 178.9041 16 H 4.3169 8.4563 118.5393 59.0104 29.9493 177.0782 17 L 3.9174 7.9363 122.2716 58.0585 41.9234 178.7425 18 L 3.9930 8.1612 120.4366 58.0022 42.0206 178.7008 19 L 3.9662 7.8854 120.0643 58.1552 42.1131 178.6976 20 D 4.3222 8.1376 118.8677 57.4460 40.8695 178.8303 21 L 4.0436 7.9503 119.4625 57.8054 41.5689 179.6006 22 Q 4.0397 8.3049 118.1902 59.0934 28.2849 178.6216 23 M 4.1080 8.1229 119.9469 58.1648 32.0100 178.9231 24 I 3.7622 7.6819 119.9249 64.2184 37.3452 178.2250 25 L 3.8668 7.7680 120.9985 58.0866 41.7210 178.3869 26 N 4.3347 8.1525 117.1896 56.7349 38.6228 177.0985 27 G 3.4762 7.4420 104.7622 47.7409 0.0000 175.5428 28 I 2.1491 7.3545 121.8702 63.6041 36.7667 178.2749 29 N 4.3758 7.9204 119.1969 56.5911 38.4486 177.3059 30 N 4.5481 7.3943 118.9509 55.2551 38.1692 178.4964 31 Y 4.7265 6.8349 116.9431 58.6534 38.6932 177.0924 32 K 4.2483 8.6011 122.9093 55.8713 34.2858 177.5993 33 N 4.2117 8.8089 120.0120 56.8691 38.6544 175.1121 34 P 4.2699 0.0000 0.0000 65.6915 31.5714 178.7260 35 K 4.0045 7.9711 116.5988 59.3486 32.0143 179.0824 36 L 4.1744 8.2886 120.8070 58.4611 41.8159 179.0883 37 T 3.9219 7.8571 114.7632 66.8286 68.5616 176.5778 38 R 4.1528 7.7685 118.4826 59.2544 29.9808 178.9134 39 M 4.2266 8.0616 118.3067 58.2660 31.7878 178.0606 40 L 4.4147 7.9096 116.8188 56.1744 42.0311 178.4197 41 T 4.4099 7.6370 109.5895 62.1750 69.2142 174.4580 42 F 3.8734 7.7233 124.4062 58.0579 39.2357 174.1724 43 K 4.7326 7.9272 128.0506 55.5354 33.3102 176.3740 44 F 4.7714 9.3282 122.8036 55.6325 42.4285 174.4223 45 Y 4.8002 8.8604 120.2563 58.3349 38.6201 175.0121 46 M 5.3068 8.9083 121.6639 52.7325 35.7997 173.4898 47 P 4.7557 0.0000 0.0000 63.6770 31.9179 177.2682 48 K 4.2132 9.0319 126.7124 57.6167 32.2128 177.5393 49 K 4.4400 7.7872 119.9498 54.2479 34.8490 175.9854 50 A 4.6985 8.2899 128.0381 50.2219 18.7727 174.7201 51 T 4.6349 8.4068 108.9167 60.4336 70.8413 174.6348 52 E 4.8225 8.1251 120.1780 53.7971 33.1875 176.6749 53 L 4.3445 8.3223 119.7654 57.6977 41.0873 179.8143 54 K 3.5700 7.7814 118.2209 59.5321 32.4364 178.0589 55 H 4.4948 7.6111 115.1939 56.9904 28.5286 176.8029 56 L 3.8998 7.8389 121.3707 56.8592 41.4195 178.9457 57 Q 4.0586 7.8767 117.7283 58.8038 28.3476 177.7932 58 C 4.4490 7.8867 116.8990 59.8598 36.9801 175.4935 59 L 3.6658 7.1296 121.4955 57.6246 41.4146 178.2205 60 E 3.9144 8.0890 119.4934 59.6059 29.3788 178.8637 61 E 4.1571 8.2488 116.9029 58.8171 29.2933 178.0784 62 E 4.6479 7.8438 117.4576 56.6143 29.7417 178.0728 63 L 4.2096 7.8319 122.7432 57.4991 41.6327 179.4772 64 K 4.0588 8.0194 118.2330 58.9689 32.0487 177.4849 65 P 4.2872 0.0000 0.0000 65.2789 31.2405 178.3725 66 L 4.1400 7.8279 118.8452 58.1876 42.0772 178.7101 67 E 3.9417 8.3401 119.2432 59.3580 29.4494 178.6096 68 E 3.9752 8.5060 118.7077 59.2811 29.3492 179.2894 69 A 3.4600 7.8592 121.0505 54.9261 18.1408 179.6918 70 L 4.0612 7.6735 116.0616 57.5111 41.7461 179.0641 71 N 4.5183 8.0143 116.1192 55.9558 38.5064 177.0836 72 L 4.1703 7.4660 119.8657 56.6101 43.1047 178.5209 73 A 4.3698 7.4041 124.6256 50.0155 15.9836 176.7186 74 Q 3.8645 7.4324 123.0392 54.7726 29.5334 178.7306 *81 R 4.2418 8.3605 123.8794 56.6494 32.0273 171.9448 82 P 4.5686 0.0000 0.0000 64.4415 30.9265 179.1567 83 R 4.6378 7.7955 119.1312 58.9497 30.0850 177.8446 84 D 4.4305 7.9824 118.1068 56.7739 41.1732 178.3984 85 L 3.9531 7.9041 121.0587 58.2222 42.0248 179.1313 86 I 3.8201 7.5892 119.8343 64.1654 37.1218 178.3153 87 S 4.0834 7.8367 113.6733 61.3097 62.0992 176.0218 88 N 4.3442 8.3946 119.3405 56.3584 38.2582 177.4531 89 I 3.6620 7.6335 120.9478 64.4333 37.1932 177.9141 90 N 4.2724 8.3900 118.0614 56.6192 38.6811 177.0884 91 V 3.5662 7.7305 119.3210 66.0780 31.7112 178.0435 92 I 3.7179 7.5218 119.2539 64.3127 36.9276 178.5294 93 V 3.5804 8.1157 119.3416 66.2166 31.2869 178.2001 94 L 4.0943 8.0968 118.5076 57.6685 40.9604 179.4430 95 E 4.0323 8.2245 118.8786 59.0956 29.1768 179.2900 96 L 3.9582 7.8965 118.4144 57.5877 41.9900 179.0137 97 K 4.5431 7.9411 115.2738 55.7961 33.0069 173.0642 98 G 3.7931 7.4934 116.5443 45.1185 0.0000 173.7842 99 S 4.2613 8.0995 120.3754 58.5755 63.2109 174.9888 100 E 4.0269 8.6529 121.8730 56.9729 28.2411 175.3245 101 T 4.2477 7.4468 114.4113 62.4050 69.6404 174.3057 102 T 4.3204 7.7915 120.9252 61.5753 71.6244 173.3556 103 F 4.8815 9.1588 125.7112 55.5093 41.5147 175.2150 104 M 4.2049 8.6030 124.0596 55.1886 31.8330 176.1870 105 C 4.4555 8.5413 126.8687 55.9518 42.6511 172.2006 106 E 4.5085 8.3946 125.7693 55.6000 30.6692 174.8055 107 Y 5.2395 8.4129 121.4885 56.2798 40.2432 175.4472 108 A 4.3445 8.9291 124.4769 51.9143 19.2342 178.1429 109 D 4.4257 8.8072 118.9182 57.4810 41.1812 177.3139 110 E 4.1731 8.0124 118.8999 56.0402 30.2996 176.0803 111 T 4.6523 8.2870 115.7064 61.2467 70.7280 173.0889 112 A 5.0353 8.7956 123.6183 50.1352 23.4145 175.5570 113 T 4.6067 8.3880 109.4642 61.0121 70.4859 175.7467 114 I 3.2331 8.6383 120.8287 63.9131 37.7579 177.9594 115 V 3.5426 7.7120 118.7578 66.0326 31.6858 177.4985 116 E 3.9948 7.9296 118.6893 59.0317 29.0642 178.4330 117 F 4.2212 8.6035 121.1203 61.5037 39.4651 177.2132 118 L 3.8745 8.1861 118.6668 57.5496 41.4221 178.8073 119 N 4.2197 8.5269 117.5457 56.7673 38.7319 176.7267 120 R 3.6943 7.6837 119.5512 59.3599 30.1486 178.5656 121 W 4.3166 7.4635 117.1783 59.4467 28.9004 178.8077 122 I 3.8121 8.2724 120.5024 64.6497 36.4990 178.6052 123 T 3.8629 8.0151 116.5611 66.4445 68.2922 176.2429 124 F 4.0985 8.3996 122.8505 61.8252 39.3673 176.9133 125 C 3.9477 8.3904 115.9185 63.1176 27.8587 176.3296 126 Q 3.9998 7.8898 119.5665 58.7373 27.9909 178.7318 127 S 4.0198 7.8007 113.7908 61.4011 62.3959 175.9886 128 I 3.7478 7.4311 122.5428 64.1669 36.3903 178.3986 129 I 3.7535 7.7370 121.0452 64.3629 36.6722 178.6261 130 S 4.2215 7.6647 114.2746 61.4465 62.9417 176.3537 131 T 4.0603 7.5059 111.4999 63.1649 68.6832 174.4093 132 L 4.3048 7.3687 124.9514 55.6458 40.5538 175.9824 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 4 S 8.29 4.43 0.00 4.02 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 5 S 8.36 4.01 0.00 3.84 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 6 S 8.77 4.34 0.00 3.88 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 7 T 7.63 3.93 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 8 K 7.83 3.97 0.00 1.99 1.80 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.78 3.96 0.00 1.90 1.96 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 10 T 7.70 3.86 4.39 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 1.21 0.00 0.00 11 Q 8.18 3.94 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 12 L 8.05 4.07 0.00 1.90 1.69 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.40 4.04 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 14 L 7.97 4.07 0.00 1.70 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.17 3.99 0.00 2.31 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 0.00 2.33 2.31 0.00 16 H 8.46 4.32 0.00 3.32 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.94 3.92 0.00 1.83 1.83 0.88 0.60 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 18 L 8.16 3.99 0.00 1.84 1.91 0.98 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.89 3.97 0.00 2.05 1.75 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.14 4.32 0.00 2.85 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 21 L 7.95 4.04 0.00 1.84 1.70 0.95 0.83 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 22 Q 8.30 4.04 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 23 M 8.12 4.11 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 24 I 7.68 3.76 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.13 0.90 0.00 0.00 25 L 7.77 3.87 0.00 1.84 1.62 0.89 0.46 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 26 N 8.15 4.33 0.00 2.96 2.76 0.00 0.00 7.13 8.19 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 27 G 7.44 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 28 I 7.35 2.15 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.83 0.00 0.00 29 N 7.92 4.38 0.00 2.80 2.83 0.00 0.00 6.92 7.28 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 30 N 7.39 4.55 0.00 2.81 2.73 0.00 0.00 7.07 7.37 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 31 Y 6.83 4.73 0.00 3.00 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 32 K 8.60 4.25 0.00 1.82 1.75 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.53 7.81 33 N 8.81 4.21 0.00 2.85 2.87 0.00 0.00 6.94 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 34 P 0.00 4.27 0.00 2.19 2.09 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 35 K 7.97 4.00 0.00 1.81 1.75 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.36 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.25 7.81 36 L 8.29 4.17 0.00 1.88 1.88 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.86 3.92 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 1.23 0.00 0.00 38 R 7.77 4.15 0.00 1.88 2.00 0.00 3.30 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 39 M 8.06 4.23 0.00 2.23 2.52 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.78 0.00 40 L 7.91 4.41 0.00 1.84 1.78 1.00 1.00 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 41 T 7.64 4.41 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 1.26 0.00 0.00 42 F 7.72 3.87 0.00 3.04 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 K 7.93 4.73 0.00 1.38 1.51 0.00 1.96 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.30 7.81 44 F 9.33 4.77 0.00 2.82 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 45 Y 8.86 4.80 0.00 2.84 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 46 M 8.91 5.31 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 47 P 0.00 4.76 0.00 1.89 2.08 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.01 0.00 48 K 9.03 4.21 0.00 1.53 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.26 7.81 49 K 7.79 4.44 0.00 1.55 1.42 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.24 1.34 7.81 50 A 8.29 4.70 0.95 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 0.00 0.00 51 T 8.41 4.63 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 52 E 8.13 4.82 0.00 1.76 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 0.00 2.24 2.28 0.00 53 L 8.32 4.34 0.00 1.70 1.75 0.99 0.62 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 54 K 7.78 3.57 0.00 0.79 1.41 0.00 1.02 0.00 0.00 1.40 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.09 0.98 7.81 55 H 7.61 4.49 0.00 3.43 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.84 3.90 0.00 1.88 1.65 1.12 0.82 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 57 Q 7.88 4.06 0.00 2.47 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.82 0.00 58 C 7.89 4.45 0.00 3.51 3.63 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 0.00 0.00 0.00 59 L 7.13 3.67 0.00 0.27 0.83 0.14 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.09 3.91 0.00 2.17 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 0.00 2.31 2.35 0.00 61 E 8.25 4.16 0.00 2.28 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 0.00 2.43 2.44 0.00 62 E 7.84 4.65 0.00 2.45 2.19 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 2.65 3.11 0.00 63 L 7.83 4.21 0.00 1.83 1.74 0.90 1.16 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 64 K 8.02 4.06 0.00 1.80 1.88 0.00 1.71 0.00 0.00 2.00 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.49 7.81 65 P 0.00 4.29 0.00 2.00 2.03 0.00 3.81 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 2.29 2.15 0.00 66 L 7.83 4.14 0.00 2.06 2.00 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.34 3.94 0.00 2.22 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 0.00 2.31 2.53 0.00 68 E 8.51 3.98 0.00 2.32 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 0.00 2.37 2.36 0.00 69 A 7.86 3.46 0.53 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 0.00 0.00 70 L 7.67 4.06 0.00 1.65 1.76 0.97 1.12 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 71 N 8.01 4.52 0.00 2.94 2.87 0.00 0.00 7.02 7.17 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 72 L 7.47 4.17 0.00 1.78 1.74 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.40 4.37 1.07 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 74 Q 7.43 3.86 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.45 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 *81 R 8.36 4.24 0.00 1.84 1.88 0.00 3.22 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 82 P 0.00 4.57 0.00 2.15 2.14 0.00 3.57 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 2.12 2.15 0.00 83 R 7.80 4.64 0.00 1.88 1.92 0.00 3.21 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.58 0.00 84 D 7.98 4.43 0.00 2.73 2.69 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 85 L 7.90 3.95 0.00 1.88 1.66 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.59 3.82 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 0.99 0.00 0.00 87 S 7.84 4.08 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 88 N 8.39 4.34 0.00 3.07 2.85 0.00 0.00 7.01 6.56 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 89 I 7.63 3.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.87 0.00 0.00 90 N 8.39 4.27 0.00 2.94 2.97 0.00 0.00 6.90 8.33 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 91 V 7.73 3.57 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 0.99 0.00 0.00 0.99 0.00 0.00 92 I 7.52 3.72 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.87 0.96 0.00 0.00 93 V 8.12 3.58 2.23 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 0.98 0.00 0.00 0.90 0.00 0.00 94 L 8.10 4.09 0.00 1.95 1.71 0.96 0.82 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 95 E 8.22 4.03 0.00 2.22 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 0.00 2.34 2.54 0.00 96 L 7.90 3.96 0.00 1.90 1.79 0.98 0.83 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 97 K 7.94 4.54 0.00 2.13 2.17 0.00 2.22 0.00 0.00 1.92 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.59 7.81 98 G 7.49 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 0.00 0.00 0.00 99 S 8.10 4.26 0.00 3.94 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 0.00 100 E 8.65 4.03 0.00 2.15 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 2.17 2.30 0.00 101 T 7.45 4.25 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 102 T 7.79 4.32 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 1.23 0.00 0.00 103 F 9.16 4.88 0.00 2.90 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 0.00 104 M 8.60 4.20 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 105 C 8.54 4.46 0.00 2.89 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 0.00 106 E 8.39 4.51 0.00 1.93 1.78 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 2.33 2.37 0.00 107 Y 8.41 5.24 0.00 2.83 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 0.00 108 A 8.93 4.34 1.30 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 0.00 0.00 0.00 109 D 8.81 4.43 0.00 2.72 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 0.00 110 E 8.01 4.17 0.00 1.96 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 0.00 2.31 2.32 0.00 111 T 8.29 4.65 4.13 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 1.04 0.00 0.00 112 A 8.80 5.04 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.39 4.61 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 1.35 0.00 0.00 114 I 8.64 3.23 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.06 0.97 0.00 0.00 115 V 7.71 3.54 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 1.00 0.00 0.00 0.94 0.00 0.00 116 E 7.93 3.99 0.00 2.13 2.14 0.00 0.00 0.00 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 2.33 0.00 117 F 8.60 4.22 0.00 3.13 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 0.00 118 L 8.19 3.87 0.00 1.71 1.67 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.53 4.22 0.00 2.75 2.99 0.00 0.00 6.84 7.35 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 0.00 120 R 7.68 3.69 0.00 1.87 1.54 0.00 3.00 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.04 0.00 121 W 7.46 4.32 0.00 3.24 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 0.00 122 I 8.27 3.81 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.95 0.00 0.00 123 T 8.02 3.86 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 1.19 0.00 0.00 124 F 8.40 4.10 0.00 3.03 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 0.00 125 C 8.39 3.95 0.00 3.28 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 0.00 126 Q 7.89 4.00 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 127 S 7.80 4.02 0.00 3.79 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 0.00 128 I 7.43 3.75 1.54 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.18 0.78 0.00 0.00 129 I 7.74 3.75 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.09 0.88 0.00 0.00 130 S 7.66 4.22 0.00 3.96 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 0.00 131 T 7.51 4.06 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 1.23 0.00 0.00 132 L 7.37 4.30 0.00 1.73 1.61 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.