NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 H 4.6966 8.5445 117.8365 55.3379 30.8152 174.3543 8 Q 4.3114 8.0296 114.4085 54.5673 29.1756 177.5173 9 Q 4.7463 7.7061 113.0809 56.7472 35.4804 181.2803 10 L 4.0819 8.1101 118.0274 58.4240 42.6209 178.1244 11 L 3.7835 7.6581 118.0235 57.2228 41.9156 178.2101 12 Q 4.3148 7.9061 120.3416 57.8929 29.4018 178.0009 13 S 4.3469 7.8318 113.0466 61.1412 62.9614 179.9103 14 H 4.5808 8.1616 119.7108 56.1033 30.1154 175.7158 15 H 4.3830 8.6783 122.0200 58.3055 28.1520 176.0560 16 L 4.1853 7.6057 118.0999 55.4921 42.1682 177.1043 17 F 4.8597 7.5923 116.0734 58.2999 41.2381 177.2538 18 E 4.6566 8.7488 120.7652 59.2023 29.4086 176.7601 19 P 4.4283 0.0000 0.0000 64.0418 31.7225 176.9220 20 L 4.3700 7.9362 120.3913 54.2877 42.0130 177.9190 21 S 4.3133 8.4222 118.8671 57.9185 64.8619 173.7698 22 P 4.1893 0.0000 0.0000 65.6146 30.9519 179.1004 23 V 3.5550 7.7504 116.6634 66.2841 31.5413 177.8316 24 Q 4.0980 7.8751 117.1237 58.9936 28.4492 178.8714 25 L 3.9844 8.2374 121.5054 58.1771 42.1464 179.0936 26 Q 3.9413 8.2813 118.1319 58.8681 28.4289 178.2624 27 E 3.9549 8.1108 118.7217 59.5123 29.9214 179.0605 28 L 4.1724 8.0021 119.9498 58.2892 42.3581 179.0508 29 L 4.3195 8.5637 120.0117 56.8410 41.2283 179.1877 30 A 4.0909 7.9934 120.5140 54.0630 18.3150 178.0656 31 S 4.5568 7.6036 108.8397 58.2004 63.9545 174.3911 32 S 4.6403 7.6091 118.1591 58.6125 64.5580 172.6546 33 D 4.9346 8.5961 119.7446 52.6634 45.5069 174.5828 34 L 4.6140 8.5390 123.8918 54.2217 43.1961 175.7635 35 V 4.4611 8.4534 126.3379 61.1331 34.5104 173.6815 36 N 5.1874 8.7169 124.4188 51.6856 40.4894 174.1767 37 L 4.7835 8.9339 123.1993 52.8740 45.1226 176.0844 38 D 4.8028 8.5731 122.8531 53.2754 42.6028 175.8101 39 K 3.8495 8.4571 122.1319 58.4419 32.3467 177.1085 40 G 3.7504 8.9535 115.5126 44.8119 0.0000 173.5006 41 A 4.0101 7.7164 121.8528 52.0797 19.7076 176.0208 42 Y 4.7084 8.1315 117.7843 57.2363 38.9210 175.9110 43 V 3.8046 8.4720 125.7833 64.9945 31.7148 175.8028 44 F 5.2101 7.0184 112.7493 55.5901 41.9880 172.4905 45 R 4.7437 9.0666 117.2486 53.7962 32.9819 175.5772 46 Q 4.5430 8.0991 122.3038 57.7489 29.6678 174.7084 47 G 4.2244 8.8828 112.9077 45.5058 0.0000 173.9952 48 E 4.1290 8.0720 120.5580 55.5314 30.7894 174.8992 49 P 4.4382 0.0000 0.0000 63.1941 32.0950 175.9332 50 A 3.2801 7.9309 126.8739 50.5654 18.7673 176.0070 51 H 4.9503 8.6628 115.7544 56.0404 31.3731 173.2521 52 A 5.2837 8.2522 119.3976 50.1924 22.6634 175.0484 53 F 5.1700 8.5313 114.2544 55.3058 41.9884 173.2640 54 Y 5.0903 8.6909 114.1489 56.5266 42.5197 173.8966 55 Y 5.1961 9.3275 124.2671 55.8529 41.6719 174.1309 56 L 4.4486 8.7420 130.1672 54.6924 42.6287 177.0095 57 I 4.2357 8.8653 129.0163 63.9241 38.0953 176.7416 58 S 4.7866 7.4054 113.3636 59.3814 65.6362 173.5805 59 G 4.2964 9.0583 105.4947 45.1729 0.0000 172.1706 60 C 4.7479 8.4173 118.8862 58.3301 35.3000 174.1724 61 V 4.8324 8.1201 124.6201 60.7739 34.2980 174.1066 62 K 4.9793 8.7177 126.6664 55.2561 35.5083 175.1237 63 I 5.0226 8.7712 123.4837 59.6949 40.3192 174.0121 64 Y 5.3089 8.3120 125.2964 55.1687 41.1737 175.7372 65 R 4.3020 9.6125 127.0723 55.6763 32.2475 178.7610 66 L 3.5025 8.1832 120.7907 54.6409 42.1999 175.9414 *71 Q 4.1531 8.5279 122.8937 56.2932 28.7852 173.7004 72 E 5.2934 8.4543 120.7227 55.2683 31.4204 174.4449 73 K 4.5332 8.6141 124.1832 54.8093 34.1728 175.9598 74 I 4.3818 8.3675 126.3904 61.4682 37.1069 175.9042 75 L 4.3285 9.5358 129.2124 57.3326 42.4285 177.0898 76 E 4.7053 7.7595 115.8666 55.2194 33.0949 174.4624 77 V 4.6322 8.3143 125.4698 61.2530 33.4092 175.0973 78 T 4.1520 9.0950 126.9009 63.5063 69.4384 174.2936 79 N 4.8688 8.7997 124.0779 52.3989 39.9137 174.6131 80 E 4.0792 8.6828 119.5938 57.1845 31.0984 177.0038 81 R 3.8023 8.8250 118.2312 56.8426 28.3825 175.8146 82 N 5.4017 7.2997 113.5407 51.6319 42.6432 174.1085 83 T 5.2377 8.7238 111.3669 61.3655 71.0740 173.6873 84 F 5.5445 9.1646 116.5251 55.6823 41.9127 175.2294 85 A 4.1006 9.4145 121.3361 52.6481 15.9520 179.7271 86 E 3.6610 8.1783 116.9551 59.1792 29.8117 179.1805 87 A 4.2378 8.0734 121.3867 54.9426 18.7467 179.2474 88 M 4.0534 7.7474 114.7842 58.5735 32.1211 177.9369 89 M 3.8956 7.5553 117.2534 57.3273 32.0398 177.1100 90 F 4.7825 8.1758 115.0454 56.9303 39.9646 174.5963 91 M 4.7442 7.6736 118.3583 53.5672 33.3398 176.1296 92 D 4.4563 8.5244 118.6070 55.1624 41.4757 176.4996 93 T 4.3440 7.1371 110.9590 59.8097 70.0233 173.3794 94 P 4.3233 0.0000 0.0000 63.7688 32.1200 175.3642 95 N 5.1208 7.5269 115.7743 50.9190 41.7990 173.7067 96 Y 4.0661 8.0477 119.4249 58.9069 38.2681 177.6583 97 V 4.0024 8.5536 122.6548 61.9771 32.0247 174.8467 98 A 4.8028 7.6470 120.8128 51.4611 22.7207 175.5177 99 T 4.5242 8.1492 115.3926 62.2196 70.7504 174.2139 100 A 4.8929 7.9393 126.6886 49.9507 21.9587 175.0025 101 Q 4.8603 8.6207 122.3588 53.9133 33.0005 174.0492 102 A 4.4457 8.8327 128.9137 52.2565 18.9904 178.1943 103 V 4.3543 8.4943 115.7561 61.5151 32.8572 176.3933 104 V 4.5478 7.3580 118.3068 58.7150 34.8411 173.5828 105 P 4.4840 0.0000 0.0000 63.4499 31.7006 176.0406 106 S 4.9715 9.0973 119.3994 56.8535 67.8535 172.7523 107 Q 5.1278 9.4214 123.3945 54.3555 32.4071 174.0096 108 L 5.2726 8.5233 124.4210 54.5983 44.9796 174.6331 109 F 5.2465 9.2423 118.0718 55.9603 41.3196 175.0826 110 R 4.4001 8.7047 122.9775 54.4424 32.6167 174.7466 111 F 4.9297 7.8024 123.2747 55.3641 43.1491 174.4478 112 S 4.6966 8.6724 117.5187 57.9000 63.3022 174.5521 113 N 4.6591 9.6375 128.6732 57.1577 38.3006 178.4987 114 K 4.0289 8.1307 124.3602 59.6941 31.6596 180.6779 115 A 4.2421 8.4930 122.5822 55.1085 18.3139 179.2228 116 Y 4.0150 8.1695 117.7310 61.0164 38.9046 178.0080 117 L 4.0040 8.4714 120.3454 57.7211 41.4170 179.4747 118 R 3.8671 7.7661 117.9291 59.7456 30.3470 178.4083 119 Q 4.0569 7.7245 117.5103 58.5700 28.6662 178.2855 120 L 3.8723 7.5629 121.0541 57.6859 41.8216 178.4068 121 Q 3.9516 7.5452 119.2515 58.7707 28.9112 177.2292 122 D 4.8366 7.7391 116.3970 53.0819 42.1613 175.1367 123 N 4.7541 7.7967 120.7103 52.9398 40.1073 175.5302 124 T 3.9000 8.4442 121.8224 65.6901 68.9095 171.1073 125 P 4.4159 0.0000 0.0000 65.4912 31.2412 178.5254 126 L 3.9004 7.7976 118.0476 58.0908 41.8848 178.3705 127 A 4.1628 7.9234 118.8776 53.6705 18.2328 178.5109 128 L 4.0347 7.5418 116.9323 55.8063 42.8031 178.7236 129 A 3.9619 7.9777 120.9270 55.0070 18.2657 179.4791 130 L 3.8085 7.9898 117.6550 57.9402 41.6982 179.6513 131 L 3.7835 7.3156 119.5129 57.8875 41.7984 178.6156 132 A 3.9900 7.8562 122.1220 55.7789 18.6474 180.0519 133 K 3.9970 7.9935 121.9005 60.0676 31.8839 180.9300 134 L 4.2625 8.7036 124.2698 57.9799 41.7284 179.6397 135 S 4.2834 7.9248 120.3610 63.8879 61.2734 181.9213 136 T 4.2843 7.8302 116.0649 66.4116 68.0465 181.5241 137 R 4.1357 7.5414 120.2930 58.6291 30.2387 177.0397 138 L 4.2516 6.9457 118.0832 54.7286 39.8434 176.3851 139 H 4.4211 8.6192 122.6813 58.6933 30.2067 178.0936 140 Q 3.4282 7.9186 118.3243 56.9377 27.4336 176.3492 141 R 4.4704 8.2104 120.9331 57.7641 29.9268 176.2066 *144 E 4.2538 8.9707 115.6305 57.4610 31.6547 175.0775 145 I 3.9863 7.6881 117.9874 61.1146 33.9935 181.4197 146 E 4.0103 8.3375 126.9940 56.1063 29.7176 177.4497 147 T 4.7122 7.8648 111.4021 59.4681 72.2715 176.3341 148 L 4.7203 8.4683 117.9466 56.6945 42.1398 177.5027 149 S 4.6503 7.9648 116.8767 57.9086 64.4161 178.1721 150 L 4.1069 8.3959 120.0870 55.1365 40.5456 175.5022 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 7 H 8.54 4.70 0.00 3.17 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.03 4.31 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 9 Q 7.71 4.75 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.88 0.00 0.00 0.00 0.00 0.00 2.27 1.91 0.00 10 L 8.11 4.08 0.00 1.58 1.84 1.01 1.12 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 11 L 7.66 3.78 0.00 1.32 0.80 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.91 4.31 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 13 S 7.83 4.35 0.00 3.67 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 14 H 8.16 4.58 0.00 3.49 3.76 0.00 5.58 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.68 4.38 0.00 3.22 3.42 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.61 4.19 0.00 0.84 1.07 0.72 0.65 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 17 F 7.59 4.86 0.00 3.34 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 18 E 8.75 4.66 0.00 2.04 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 2.36 2.37 0.00 19 P 0.00 4.43 0.00 2.07 2.09 0.00 3.73 0.00 0.00 3.76 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 20 L 7.94 4.37 0.00 1.74 1.63 1.10 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.42 4.31 0.00 4.03 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 22 P 0.00 4.19 0.00 2.17 2.14 0.00 3.60 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 2.11 2.14 0.00 23 V 7.75 3.55 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 1.14 0.00 0.00 0.92 0.00 0.00 24 Q 7.88 4.10 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 25 L 8.24 3.98 0.00 1.74 1.77 0.80 1.28 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 26 Q 8.28 3.94 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 27 E 8.11 3.95 0.00 2.17 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 2.35 2.47 0.00 28 L 8.00 4.17 0.00 1.92 1.86 1.18 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.56 4.32 0.00 1.75 1.62 0.87 0.72 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 30 A 7.99 4.09 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 31 S 7.60 4.56 0.00 4.00 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 32 S 7.61 4.64 0.00 3.76 3.39 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 33 D 8.60 4.93 0.00 2.49 2.46 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 34 L 8.54 4.61 0.00 1.66 1.53 0.82 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.45 4.46 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 0.94 0.00 0.00 0.98 0.00 0.00 36 N 8.72 5.19 0.00 2.60 2.68 0.00 0.00 6.82 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 37 L 8.93 4.78 0.00 1.58 1.45 0.83 0.93 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 38 D 8.57 4.80 0.00 2.62 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 39 K 8.46 3.85 0.00 1.73 1.68 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.60 7.81 40 G 8.95 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 0.00 0.00 0.00 41 A 7.72 4.01 1.28 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 0.00 0.00 42 Y 8.13 4.71 0.00 2.86 2.77 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 43 V 8.47 3.80 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 44 F 7.02 5.21 0.00 2.61 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 45 R 9.07 4.74 0.00 2.01 1.76 0.00 2.94 0.00 0.00 2.99 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.14 0.00 46 Q 8.10 4.54 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 47 G 8.88 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 0.00 0.00 0.00 0.00 48 E 8.07 4.13 0.00 2.20 2.30 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 2.54 2.43 0.00 49 P 0.00 4.44 0.00 2.02 1.98 0.00 3.78 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 2.07 2.12 0.00 50 A 7.93 3.28 0.31 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 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.66 4.95 0.00 3.08 3.26 0.00 5.57 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 52 A 8.25 5.28 1.04 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 0.00 0.00 53 F 8.53 5.17 0.00 3.30 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 54 Y 8.69 5.09 0.00 1.48 2.40 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 55 Y 9.33 5.20 0.00 3.54 3.25 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 56 L 8.74 4.45 0.00 2.03 1.68 1.04 0.76 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 57 I 8.87 4.24 1.95 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 1.01 0.00 0.00 58 S 7.41 4.79 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 59 G 9.06 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 0.00 0.00 0.00 0.00 60 C 8.42 4.75 0.00 2.92 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 61 V 8.12 4.83 1.41 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 0.32 0.00 0.00 0.68 0.00 0.00 62 K 8.72 4.98 0.00 1.86 1.84 0.00 1.24 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.33 1.58 7.81 63 I 8.77 5.02 1.88 0.00 0.00 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 1.13 0.81 0.99 0.00 0.00 64 Y 8.31 5.31 0.00 3.09 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 65 R 9.61 4.30 0.00 1.96 1.91 0.00 3.13 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 66 L 8.18 3.50 0.00 1.79 1.28 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 *71 Q 8.53 4.15 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.68 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 72 E 8.45 5.29 0.00 2.25 2.06 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 2.14 2.23 0.00 73 K 8.61 4.53 0.00 1.78 1.81 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.49 7.81 74 I 8.37 4.38 1.89 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 1.35 0.45 0.97 0.00 0.00 75 L 9.54 4.33 0.00 1.66 1.78 1.00 0.88 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 76 E 7.76 4.71 0.00 2.03 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 2.23 2.25 0.00 77 V 8.31 4.63 2.06 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 0.82 0.00 0.00 0.91 0.00 0.00 78 T 9.10 4.15 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 1.32 0.00 0.00 79 N 8.80 4.87 0.00 2.67 2.74 0.00 0.00 6.88 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 80 E 8.68 4.08 0.00 2.04 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 2.35 2.35 0.00 81 R 8.83 3.80 0.00 2.04 2.29 0.00 3.44 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 82 N 7.30 5.40 0.00 3.00 2.78 0.00 0.00 6.76 6.93 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 83 T 8.72 5.24 4.57 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 1.61 0.00 0.00 84 F 9.16 5.54 0.00 3.20 3.23 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 85 A 9.41 4.10 1.84 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 0.00 0.00 86 E 8.18 3.66 0.00 1.93 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 2.19 2.40 0.00 87 A 8.07 4.24 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 88 M 7.75 4.05 0.00 1.83 2.17 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 2.68 2.77 0.00 89 M 7.56 3.90 0.00 0.85 1.89 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.27 0.00 90 F 8.18 4.78 0.00 2.97 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 91 M 7.67 4.74 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 92 D 8.52 4.46 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 93 T 7.14 4.34 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 1.20 0.00 0.00 94 P 0.00 4.32 0.00 2.15 2.26 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 95 N 7.53 5.12 0.00 2.63 2.82 0.00 0.00 6.96 7.46 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 96 Y 8.05 4.07 0.00 3.18 2.93 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 97 V 8.55 4.00 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 0.78 0.00 0.00 0.97 0.00 0.00 98 A 7.65 4.80 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 99 T 8.15 4.52 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 0.99 0.00 0.00 100 A 7.94 4.89 0.15 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 0.00 0.00 101 Q 8.62 4.86 0.00 2.33 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 102 A 8.83 4.45 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 0.00 103 V 8.49 4.35 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 0.64 0.00 0.00 0.89 0.00 0.00 104 V 7.36 4.55 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 0.72 0.00 0.00 0.89 0.00 0.00 105 P 0.00 4.48 0.00 1.92 2.01 0.00 3.58 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 1.99 2.08 0.00 106 S 9.10 4.97 0.00 3.66 3.72 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 0.00 107 Q 9.42 5.13 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.62 0.00 0.00 0.00 0.00 0.00 2.04 2.45 0.00 108 L 8.52 5.27 0.00 2.06 1.85 1.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.24 5.25 0.00 2.85 1.96 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 0.00 110 R 8.70 4.40 0.00 1.81 1.59 0.00 2.99 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.00 111 F 7.80 4.93 0.00 1.68 2.43 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 0.00 112 S 8.67 4.70 0.00 3.88 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 0.00 113 N 9.64 4.66 0.00 2.85 2.85 0.00 0.00 6.82 7.44 0.00 0.00 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 K 8.13 4.03 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.08 7.81 115 A 8.49 4.24 1.46 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 0.00 0.00 116 Y 8.17 4.01 0.00 3.57 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 0.00 117 L 8.47 4.00 0.00 1.70 1.68 0.78 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.77 3.87 0.00 2.08 2.05 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 119 Q 7.72 4.06 0.00 1.83 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 120 L 7.56 3.87 0.00 1.52 1.61 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 7.55 3.95 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 122 D 7.74 4.84 0.00 2.69 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 0.00 123 N 7.80 4.75 0.00 2.85 2.58 0.00 0.00 7.17 7.12 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 0.00 124 T 8.44 3.90 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 1.21 0.00 0.00 125 P 0.00 4.42 0.00 2.13 2.15 0.00 3.54 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 126 L 7.80 3.90 0.00 1.67 1.60 0.75 1.04 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 0.00 127 A 7.92 4.16 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 0.00 128 L 7.54 4.03 0.00 1.78 1.68 0.91 1.18 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 0.00 129 A 7.98 3.96 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 0.00 130 L 7.99 3.81 0.00 1.75 1.54 1.00 0.34 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 0.00 131 L 7.32 3.78 0.00 1.89 1.74 0.87 1.16 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 0.00 132 A 7.86 3.99 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 0.00 133 K 7.99 4.00 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.32 7.81 134 L 8.70 4.26 0.00 1.68 1.58 0.60 1.03 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 0.00 135 S 7.92 4.28 0.00 3.77 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 0.00 136 T 7.83 4.28 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 1.21 0.00 0.00 137 R 7.54 4.14 0.00 1.72 2.03 0.00 3.20 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 138 L 6.95 4.25 0.00 1.84 1.61 0.90 1.09 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 0.00 139 H 8.62 4.42 0.00 3.14 3.33 0.00 5.87 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 0.00 140 Q 7.92 3.43 0.00 2.21 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.75 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 141 R 8.21 4.47 0.00 1.76 1.37 0.00 3.26 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 *144 E 8.97 4.25 0.00 2.01 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 2.13 1.88 0.00 145 I 7.69 3.99 1.87 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 1.27 1.10 0.91 0.00 0.00 146 E 8.34 4.01 0.00 1.98 1.69 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 2.23 1.87 0.00 147 T 7.86 4.71 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 1.21 0.00 0.00 148 L 8.47 4.72 0.00 1.59 1.66 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.96 4.65 0.00 3.61 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 0.00 150 L 8.40 4.11 0.00 1.83 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.