NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4342 8.1927 115.2997 58.2523 64.6847 175.6838 4 F 4.1598 8.2586 122.1586 60.8059 39.2947 173.8179 5 E 3.5713 8.3536 117.9898 59.3567 29.6410 178.5638 6 Q 3.9213 7.8825 118.9189 58.7358 29.1393 177.9566 7 A 3.9403 7.7585 121.9831 55.2909 18.4332 179.7171 8 I 3.5325 7.5146 118.5974 64.5433 37.0003 178.8832 9 T 3.6998 7.7129 116.5538 66.6895 68.3287 176.4650 10 Q 3.9766 8.1823 121.5155 59.0393 29.0352 178.0911 11 L 4.0685 8.1928 121.4209 58.3630 42.1361 179.0185 12 F 4.0756 8.7926 117.9883 60.3008 38.6662 177.5038 13 Q 4.0896 8.1602 119.3879 59.5119 28.7741 178.2778 14 Q 4.0597 8.0754 117.5701 58.5092 28.7991 178.0702 15 L 4.4269 7.7308 117.2344 53.5547 42.2777 176.4308 16 S 3.7568 8.1437 114.3669 59.6585 60.7816 171.8803 17 L 4.4955 8.2633 119.6195 52.4580 43.2695 176.9523 18 S 4.0549 8.5812 116.5271 58.4943 62.4927 174.1716 19 I 3.7686 8.3654 127.0125 60.8245 36.8200 174.5277 20 P 4.4093 0.0000 0.0000 62.3598 31.6452 176.9296 21 D 4.4024 8.7232 123.0321 56.1888 41.2070 176.1677 22 T 4.3693 7.7293 113.3881 60.0102 68.8994 173.2324 23 I 4.1500 8.0286 129.8734 59.2485 37.4672 175.2163 24 E 4.2833 8.4036 125.0955 55.1479 30.2270 176.0373 25 P 4.3765 0.0000 0.0000 65.3614 31.4116 176.7024 26 V 4.5728 7.6945 118.8450 60.8143 33.0546 174.9901 27 I 4.4598 9.2174 129.4851 60.1386 39.2984 175.0109 28 G 4.3847 8.6402 111.4158 44.5229 0.0000 172.6932 29 V 4.3783 8.7330 123.5814 61.1680 34.9968 173.2892 30 K 4.7508 8.6380 129.5751 55.1056 33.5916 176.5697 31 V 4.2667 8.8688 127.8870 60.9804 32.5639 176.9835 32 G 4.0123 8.1235 119.3731 46.1195 0.0000 172.9766 33 E 3.9949 8.7913 122.8249 56.0651 30.2036 175.6535 34 F 4.5778 7.6785 120.2637 55.9543 39.5361 174.6565 35 A 4.6728 8.5886 128.8950 51.3870 19.0511 175.9085 36 C 4.8395 9.0115 120.7863 58.9488 31.0179 172.8911 37 H 5.1073 8.8518 119.6118 53.9179 31.4507 173.2436 38 I 5.0206 8.8789 123.2273 59.9292 40.4984 174.6458 39 T 4.7591 9.2782 120.6040 61.3125 71.7878 171.2182 40 E 4.7055 7.6692 124.6598 54.9109 30.8351 174.4913 41 H 4.3467 8.3060 122.2218 55.1768 33.9320 172.3096 42 P 4.3054 0.0000 0.0000 61.1709 32.8541 175.2064 43 V 3.5627 8.0409 117.6083 65.1030 31.5137 176.1483 44 G 4.0041 9.3824 114.9425 45.0108 0.0000 172.1925 45 Q 5.0509 8.1586 118.9899 53.9925 32.5209 174.4896 46 I 4.6794 9.1814 125.3758 60.1704 38.9746 174.3608 47 L 5.3234 9.3212 129.8445 53.5564 44.7382 174.8962 48 M 5.5970 9.0943 125.1507 53.7410 35.9226 174.4832 49 F 5.6734 8.9218 117.2266 55.8788 42.1154 173.1598 50 T 5.0447 9.2847 113.9953 60.7951 71.4095 172.7830 51 L 5.2475 8.5568 126.5390 52.2718 41.1270 174.5500 52 P 4.5595 0.0000 0.0000 62.3167 32.2819 177.0968 53 S 4.6431 8.2752 113.0538 56.3294 63.5925 174.5880 54 L 4.5023 8.1645 131.9696 54.9010 42.7146 176.0982 55 D 4.7757 8.5164 119.5137 53.7978 44.8493 175.8940 56 N 4.3253 9.0376 121.5113 55.6498 37.2909 175.9555 57 N 4.4886 8.1171 115.7373 55.9529 38.9452 175.5293 58 N 4.4334 8.2115 116.0943 53.1476 39.3051 175.0811 59 E 4.3912 8.4831 122.5628 54.8739 32.3056 177.2440 60 K 3.8679 8.4166 122.4631 59.9676 32.1934 179.4441 61 E 3.9976 8.1637 117.8860 59.7354 29.1580 179.5108 62 T 3.8281 7.7555 114.2653 66.6447 68.4150 176.2326 63 L 4.2538 8.0236 120.8307 57.8737 41.7010 179.5576 64 L 4.1453 8.4558 118.8373 57.3100 41.3755 179.5947 65 S 4.1227 7.9598 115.6696 61.6838 62.4499 176.1479 66 H 4.2243 7.6802 117.4011 58.2188 28.4463 176.4369 67 N 4.6173 7.6195 116.1147 52.2614 39.0468 175.2214 68 I 3.6937 6.7810 121.6683 60.3148 38.6668 175.6937 69 F 4.4988 7.9331 121.3398 57.0114 38.4972 174.4945 70 S 4.7112 8.1433 114.9934 57.2533 65.5790 173.3550 71 Q 4.0990 8.7366 116.5778 57.7433 29.1834 174.9305 72 D 4.7764 7.9804 120.4215 52.3659 41.7990 176.7186 73 I 3.9763 8.3833 120.2624 62.6410 37.8644 176.4325 74 L 4.3648 8.2803 120.6207 54.5039 42.0475 176.7542 75 K 3.8993 7.6410 121.2643 55.7881 32.4398 174.6228 76 P 4.5100 0.0000 0.0000 62.9585 32.4335 175.3871 77 I 4.2461 8.4146 123.3744 59.5670 39.1953 174.3395 78 L 4.8171 9.4172 130.1286 54.2522 43.2293 175.7676 79 S 4.8522 9.2262 120.5183 57.3162 66.7371 171.9401 80 W 5.3395 8.7920 127.9416 56.2625 33.8861 174.9078 81 D 4.7693 8.0686 127.2411 52.4145 41.0060 176.7527 82 E 4.2721 8.9832 125.3099 59.0269 30.1189 178.9444 83 V 3.6770 7.9930 119.0607 65.9161 31.8073 177.3485 84 G 3.4462 8.1315 107.6932 46.3185 0.0000 173.3364 85 G 3.8317 9.4743 107.4784 45.5936 0.0000 172.2056 86 H 3.7984 6.0325 111.5510 53.0730 31.9957 172.1780 87 P 4.7331 0.0000 0.0000 62.7072 32.4406 176.3183 88 V 4.5509 8.6083 121.3266 61.5330 35.0000 173.3873 89 L 5.3678 9.0281 130.6627 53.3501 44.0617 175.0413 90 W 5.9552 8.9340 122.3281 55.4987 32.1087 172.9850 91 N 5.3624 9.3684 117.9187 51.8868 40.8873 172.7465 92 R 5.6564 8.7279 117.5736 56.4781 33.2943 173.5309 93 Q 4.8611 8.3992 119.7993 54.3142 31.6250 171.4572 94 P 4.8426 0.0000 0.0000 62.9842 32.1028 176.9010 95 L 4.2195 9.0421 125.8288 57.6859 42.1845 178.0759 96 N 4.4552 8.4168 115.8235 55.7144 37.6119 175.5710 97 N 4.7049 7.1735 117.0333 51.0475 37.4356 172.3194 98 L 4.7397 7.8136 121.7949 52.5955 45.7629 174.8392 99 D 5.1410 8.9350 125.2617 50.8551 42.1727 176.0497 100 N 4.3201 8.8150 115.4621 55.6259 37.0415 175.2110 101 N 4.8192 8.4772 114.2587 52.9655 38.8894 176.3646 102 S 4.2069 7.5276 115.6986 61.3609 62.6807 176.0161 103 L 4.0302 7.9714 120.7973 58.5246 41.9201 179.0757 104 Y 3.9677 8.0966 118.6180 61.1345 38.7288 178.2634 105 T 4.0473 8.3380 116.8002 66.4906 68.5722 176.6839 106 Q 3.9773 8.5313 122.0957 59.0507 29.0886 178.0755 107 L 3.9070 7.9762 121.4312 57.9802 42.1030 178.5785 108 E 3.7680 7.8585 118.9651 59.5266 29.6072 178.6964 109 M 4.0322 8.3782 119.1916 58.1398 31.9821 178.5509 110 L 3.8789 7.9384 120.4549 58.3441 42.2927 179.5643 111 V 3.2529 7.6518 112.3133 64.2227 31.4025 178.6680 112 Q 3.9890 8.0924 118.1821 58.7697 28.2897 178.9405 113 G 3.5128 7.8971 105.7733 47.6198 0.0000 175.3589 114 A 3.9737 7.6806 123.0555 54.8325 18.2090 179.6189 115 E 4.0454 7.9113 117.2687 59.6001 29.3379 179.6739 116 R 4.0856 7.8161 116.7314 58.5359 30.1573 178.4245 117 L 4.3094 7.4827 117.3173 55.1245 41.7590 176.5406 118 Q 4.6031 7.4767 118.4077 54.9820 29.4563 176.9439 119 T 4.4658 7.9855 123.6269 61.8085 69.7131 173.6793 *127 R 4.1416 7.6989 119.9066 56.2289 31.3567 173.7865 128 S 4.8283 8.3546 115.5057 56.5465 65.2880 172.8356 129 F 4.9924 7.7451 118.7864 55.4162 40.5683 174.4026 130 S 4.2818 8.8425 116.2070 59.0309 62.6127 174.5209 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 3 S 8.19 4.43 0.00 3.91 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 4 F 8.26 4.16 0.00 3.20 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 5 E 8.35 3.57 0.00 2.04 1.88 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 2.40 2.40 0.00 6 Q 7.88 3.92 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 7 A 7.76 3.94 1.40 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 0.00 0.00 8 I 7.51 3.53 1.29 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.05 0.26 0.00 0.00 9 T 7.71 3.70 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 1.18 0.00 0.00 10 Q 8.18 3.98 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 11 L 8.19 4.07 0.00 1.98 2.02 1.06 0.97 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 12 F 8.79 4.08 0.00 3.28 3.11 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 13 Q 8.16 4.09 0.00 2.30 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 14 Q 8.08 4.06 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 15 L 7.73 4.43 0.00 1.51 1.60 0.80 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.14 3.76 0.00 3.97 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 17 L 8.26 4.50 0.00 1.32 1.21 -0.11 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.58 4.05 0.00 4.02 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 19 I 8.37 3.77 1.90 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 1.45 0.49 0.89 0.00 0.00 20 P 0.00 4.41 0.00 1.93 1.96 0.00 3.38 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 1.71 2.28 0.00 21 D 8.72 4.40 0.00 2.65 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 22 T 7.73 4.37 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 1.24 0.00 0.00 23 I 8.03 4.15 1.80 0.00 0.00 0.64 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 0.63 0.75 0.00 0.00 24 E 8.40 4.28 0.00 1.96 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 2.33 2.37 0.00 25 P 0.00 4.38 0.00 2.19 2.20 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 26 V 7.69 4.57 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 0.90 0.00 0.00 1.00 0.00 0.00 27 I 9.22 4.46 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 1.10 0.00 0.00 28 G 8.64 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 29 V 8.73 4.38 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 0.84 0.00 0.00 0.88 0.00 0.00 30 K 8.64 4.75 0.00 1.75 1.63 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.61 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.39 7.81 31 V 8.87 4.27 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 0.94 0.00 0.00 0.88 0.00 0.00 32 G 8.12 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 0.00 0.00 0.00 33 E 8.79 3.99 0.00 1.68 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 1.58 1.47 0.00 34 F 7.68 4.58 0.00 3.11 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 35 A 8.59 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 36 C 9.01 4.84 0.00 2.92 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 37 H 8.85 5.11 0.00 1.40 2.62 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.88 5.02 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 1.14 0.73 1.08 0.00 0.00 39 T 9.28 4.76 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 1.37 0.00 0.00 40 E 7.67 4.71 0.00 1.16 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 2.03 2.25 0.00 41 H 8.31 4.35 0.00 3.11 3.06 0.00 5.80 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 42 P 0.00 4.31 0.00 2.16 2.02 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.88 0.00 43 V 8.04 3.56 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 0.77 0.00 0.00 0.88 0.00 0.00 44 G 9.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 5.05 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 46 I 9.18 4.68 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.58 1.07 0.00 0.00 47 L 9.32 5.32 0.00 1.89 1.69 1.02 0.74 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 48 M 9.09 5.60 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 49 F 8.92 5.67 0.00 3.29 3.22 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 0.00 50 T 9.28 5.04 4.29 0.00 0.00 0.00 0.00 0.00 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 51 L 8.56 5.25 0.00 1.55 1.54 1.10 0.82 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 52 P 0.00 4.56 0.00 2.25 2.16 0.00 3.91 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 53 S 8.28 4.64 0.00 3.99 3.93 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 54 L 8.16 4.50 0.00 1.80 1.73 1.12 1.11 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 55 D 8.52 4.78 0.00 2.70 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 56 N 9.04 4.33 0.00 2.82 3.01 0.00 0.00 6.21 8.04 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 57 N 8.12 4.49 0.00 2.76 2.94 0.00 0.00 6.96 8.00 0.00 0.00 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 N 8.21 4.43 0.00 2.86 2.79 0.00 0.00 6.94 8.39 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 59 E 8.48 4.39 0.00 2.07 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 0.00 2.41 2.50 0.00 60 K 8.42 3.87 0.00 1.84 1.84 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.48 7.81 61 E 8.16 4.00 0.00 2.03 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 2.39 2.46 0.00 62 T 7.76 3.83 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 1.21 0.00 0.00 63 L 8.02 4.25 0.00 1.89 1.78 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.46 4.15 0.00 1.78 1.71 0.92 0.81 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 65 S 7.96 4.12 0.00 3.98 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 66 H 7.68 4.22 0.00 3.27 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.62 4.62 0.00 2.82 2.81 0.00 0.00 6.94 7.50 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 68 I 6.78 3.69 1.69 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.13 0.77 0.00 0.00 69 F 7.93 4.50 0.00 3.10 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 70 S 8.14 4.71 0.00 3.95 3.87 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 71 Q 8.74 4.10 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 72 D 7.98 4.78 0.00 2.72 2.58 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 0.00 0.00 0.00 0.00 73 I 8.38 3.98 1.89 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 1.43 0.73 0.92 0.00 0.00 74 L 8.28 4.36 0.00 1.77 1.75 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.64 3.90 0.00 1.73 1.70 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.35 7.81 76 P 0.00 4.51 0.00 2.00 1.96 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 77 I 8.41 4.25 0.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.13 0.72 0.00 0.00 78 L 9.42 4.82 0.00 1.58 1.70 0.99 1.08 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 79 S 9.23 4.85 0.00 4.07 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 0.00 80 W 8.79 5.34 0.00 3.46 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 81 D 8.07 4.77 0.00 2.64 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.98 4.27 0.00 2.21 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 0.00 2.32 2.33 0.00 83 V 7.99 3.68 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 0.76 0.00 0.00 0.89 0.00 0.00 84 G 8.13 3.45 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 0.00 0.00 0.00 85 G 9.47 3.83 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 0.00 0.00 0.00 86 H 6.03 3.80 0.00 2.85 3.15 0.00 5.46 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 87 P 0.00 4.73 0.00 1.97 2.15 0.00 3.44 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 88 V 8.61 4.55 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 0.96 0.00 0.00 0.82 0.00 0.00 89 L 9.03 5.37 0.00 1.84 1.55 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.93 5.96 0.00 3.62 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 91 N 9.37 5.36 0.00 2.87 2.88 0.00 0.00 6.63 7.33 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 92 R 8.73 5.66 0.00 2.23 2.12 0.00 3.16 0.00 0.00 4.01 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 93 Q 8.40 4.86 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 94 P 0.00 4.84 0.00 2.48 2.25 0.00 3.73 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 2.10 1.99 0.00 95 L 9.04 4.22 0.00 1.67 1.85 1.04 1.17 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 96 N 8.42 4.46 0.00 2.89 2.95 0.00 0.00 5.91 8.04 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 97 N 7.17 4.70 0.00 2.76 2.80 0.00 0.00 6.98 7.66 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 98 L 7.81 4.74 0.00 1.71 1.49 1.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.94 5.14 0.00 2.87 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 N 8.82 4.32 0.00 2.84 3.02 0.00 0.00 5.82 8.04 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 0.00 101 N 8.48 4.82 0.00 2.86 2.88 0.00 0.00 6.86 7.04 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 0.00 102 S 7.53 4.21 0.00 4.05 3.86 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 0.00 103 L 7.97 4.03 0.00 1.77 1.82 1.03 0.80 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 0.00 104 Y 8.10 3.97 0.00 3.23 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 0.00 105 T 8.34 4.05 4.49 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 1.26 0.00 0.00 106 Q 8.53 3.98 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 107 L 7.98 3.91 0.00 1.85 1.61 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.86 3.77 0.00 1.93 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 0.00 2.26 2.27 0.00 109 M 8.38 4.03 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.88 0.00 110 L 7.94 3.88 0.00 1.84 1.79 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.65 3.25 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 0.66 0.00 0.00 0.88 0.00 0.00 112 Q 8.09 3.99 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 113 G 7.90 3.51 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 0.00 0.00 0.00 114 A 7.68 3.97 0.60 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 0.00 115 E 7.91 4.05 0.00 2.14 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 0.00 2.48 2.44 0.00 116 R 7.82 4.09 0.00 1.95 2.03 0.00 3.17 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 117 L 7.48 4.31 0.00 1.80 1.73 0.91 0.96 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 0.00 118 Q 7.48 4.60 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.35 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 119 T 7.99 4.47 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 *127 R 7.70 4.14 0.00 1.83 1.94 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 128 S 8.35 4.83 0.00 3.81 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 0.00 129 F 7.75 4.99 0.00 3.10 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 0.00 130 S 8.84 4.28 0.00 4.01 3.89 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 * Residues marked with a * may have inaccurate shift predictions.