NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.2978 8.1185 123.5873 51.7216 19.8962 177.6294 8 A 3.6216 8.4392 122.1404 54.5350 19.1099 178.0205 9 I 3.8574 8.7123 118.2438 64.6714 38.5160 176.5272 10 E 4.0017 7.8377 119.5823 59.5372 29.3873 179.7567 11 R 4.0609 8.0297 116.0566 58.8516 30.1943 176.9016 12 H 4.5946 7.9917 112.7156 55.6071 29.3340 175.0035 13 R 4.4471 7.5962 118.8036 54.1024 32.1766 175.6955 14 V 4.1938 7.6353 120.0534 61.4776 34.1185 174.2791 15 H 4.2699 8.6282 126.2240 54.6867 30.1076 174.3318 16 L 4.7639 8.1406 124.7726 54.2774 42.9287 176.1090 17 R 4.4178 8.8523 125.8274 55.6281 30.2325 177.7421 18 S 4.0950 9.0019 121.5778 61.3807 63.3636 176.8889 19 A 4.0439 8.0919 123.2241 55.1716 18.3566 179.5011 20 T 4.0113 7.4757 104.6727 64.3380 69.0864 176.0241 21 L 3.8212 7.4160 121.7204 57.1355 42.1974 177.4655 22 R 4.1607 7.3120 119.9953 55.4795 29.2518 175.4769 *24 A 4.2593 7.4460 118.7938 51.4087 20.6828 178.1930 25 V 3.6918 8.3079 119.7273 62.8078 32.5377 173.8614 26 P 5.3338 0.0000 0.0000 62.1855 32.0534 175.5251 27 A 4.8001 8.7618 123.8097 50.4469 22.4254 175.3701 28 T 4.3734 8.5743 115.5204 60.9819 68.6471 173.7897 29 L 4.7803 8.4340 128.4144 53.2432 44.8108 175.1259 30 H 5.5135 8.6480 119.0464 54.1051 32.5905 172.3418 31 L 4.5932 9.1112 125.8282 53.6437 43.2459 175.2529 32 L 4.9555 8.4416 126.6257 52.6449 43.9081 174.9567 33 P 4.7345 0.0000 0.0000 62.9281 31.6881 175.2160 34 C 4.8002 7.6108 111.8675 57.1072 32.6047 173.1243 35 E 4.2769 8.6131 121.5022 54.6003 27.7970 175.4799 36 V 4.0329 8.0821 127.3254 61.2705 31.8491 176.5250 37 A 4.2115 8.7902 133.6942 55.5467 18.5335 178.6735 38 V 3.9328 6.8884 110.3776 60.6041 32.3621 180.0753 39 D 4.6582 8.9804 119.7992 54.6450 43.5104 175.7683 40 G 3.8874 7.9344 113.3819 45.4480 0.0000 168.9954 41 P 4.4852 0.0000 0.0000 62.3042 32.2345 175.5717 42 A 4.6629 8.0336 123.0245 49.2419 22.6009 176.2417 43 P 4.7101 0.0000 0.0000 61.9189 28.1157 177.2765 44 V 3.7621 7.6797 124.3180 66.9104 32.0050 177.2250 45 G 3.6746 8.1609 103.1207 47.0975 0.0000 175.1448 46 R 4.2273 8.0173 119.0319 58.1177 30.7719 177.6251 47 F 4.5318 8.2853 115.3670 59.4348 39.8344 177.8215 48 F 4.3590 8.2068 119.5412 61.4026 39.3583 177.0606 49 T 3.9654 8.3862 115.5504 66.6186 68.1996 174.9181 50 P 4.2710 0.0000 0.0000 65.1105 31.5048 178.0765 51 A 4.1065 7.4062 117.0420 52.9388 18.6569 177.6989 52 I 3.9138 6.8183 119.2906 61.3261 38.0167 175.9583 53 R 4.6723 9.2825 125.6450 54.3331 33.3337 174.4720 54 Q 4.6522 8.8343 125.1726 55.2765 29.9295 174.8418 55 G 4.3145 8.7713 114.2247 42.6463 0.0000 171.6885 56 P 4.0750 0.0000 0.0000 64.4104 31.4277 176.9413 57 E 4.4870 8.7434 115.1127 54.9341 31.5922 176.1227 58 G 3.8204 6.4624 105.2663 46.1052 0.0000 171.0910 59 L 5.1285 7.5970 119.5598 53.9213 44.2716 175.7970 60 E 5.4936 9.1577 121.7562 55.0469 33.3653 174.3618 61 V 4.5577 8.7514 124.9279 60.5572 35.2684 173.0083 62 S 5.2108 8.4281 117.9031 56.7427 65.3050 173.3028 63 F 4.8585 8.8104 126.5549 57.3107 41.0725 175.2326 64 R 3.5072 8.9694 127.5098 57.3131 27.2997 177.0836 65 G 3.8703 8.3742 102.1820 45.8250 0.0000 173.8277 66 R 4.5050 7.6001 119.0992 53.6995 32.4206 174.6279 67 C 4.5518 8.7159 123.3866 59.7614 32.7108 171.8690 68 L 5.3819 9.2627 127.1310 53.1855 44.3751 175.8575 69 R 5.4006 9.1968 121.2610 54.7455 33.8603 175.0248 70 G 4.0106 8.9610 112.0143 45.9839 0.0000 171.3196 71 E 4.8708 7.8852 115.7353 54.7076 34.5049 170.6399 72 E 4.2837 8.4675 121.7827 56.3517 30.8346 175.9275 73 V 4.2212 8.6261 126.8357 60.8818 33.9394 174.2496 74 A 4.7242 8.4343 129.5936 50.8160 20.1160 176.8539 75 V 3.7989 8.5577 122.3192 62.1091 31.6299 174.5639 76 P 4.3852 0.0000 0.0000 61.9505 31.9606 173.9450 77 P 4.1556 0.0000 0.0000 64.2109 31.6649 177.0288 78 G 3.8949 8.8754 109.0551 45.7601 0.0000 172.8436 79 L 4.8850 7.3433 117.4496 52.6215 45.2751 176.3255 80 V 4.1656 7.7937 118.4390 60.0732 34.3047 174.3892 81 G 2.7569 7.6375 110.5588 45.1358 0.0000 172.2222 82 Y 5.4375 8.3232 119.7428 56.1321 42.5658 175.4725 83 V 4.3456 9.0738 123.0663 61.6949 32.7019 174.2844 84 M 4.8561 8.5276 127.2298 54.7165 33.4527 176.2392 85 V 4.3890 8.4790 121.8380 61.2875 35.2850 174.2447 86 T 4.2624 8.7168 125.0540 63.3356 68.8587 174.1910 87 E 4.0703 8.7241 128.6195 56.5894 29.7207 177.5776 88 E 4.0784 9.0324 123.6463 58.7540 30.1910 174.6429 89 K 4.4534 7.8859 122.6381 53.6019 32.9204 179.0987 90 K 4.3078 8.3486 125.1807 53.0064 32.5864 174.7892 91 V 3.8027 7.9846 122.5977 62.1984 31.9929 176.3729 92 S 4.1747 8.6222 121.6114 60.5912 62.9567 175.2510 *108 E 4.3695 8.1227 116.9691 55.8271 31.5223 180.2018 109 E 4.5495 8.0006 120.5147 55.0885 30.7941 176.6137 110 E 4.0868 8.7823 120.8514 58.3701 30.2519 172.4021 111 P 4.2093 0.0000 0.0000 63.7149 31.8141 176.2029 112 L 3.7503 8.6918 122.1946 55.6590 40.4775 174.4991 113 E 4.4520 7.4311 113.3432 55.1346 29.4190 177.2812 114 R 4.2506 7.5702 115.6143 57.5278 30.9876 177.8243 115 D 4.5792 7.8163 116.7813 55.0754 41.3897 176.3144 116 F 4.6009 7.7763 117.0671 57.5411 38.0763 173.4669 117 D 4.7259 8.1714 126.1222 55.8268 42.6229 176.0929 118 R 4.3315 7.7008 115.4217 56.3270 31.7250 175.3543 119 F 5.3847 8.9255 121.0433 55.8778 43.8052 173.5213 120 I 5.0317 9.0476 120.0669 59.9778 41.9488 173.9563 121 G 4.5628 8.5913 111.8948 44.7561 0.0000 172.0981 122 A 4.7897 8.4955 125.1396 52.0619 18.2490 177.6153 123 T 4.3540 9.2540 113.8690 63.5295 70.1438 174.4571 124 A 5.0414 7.7890 122.5478 51.1358 22.8172 174.3038 125 N 5.6834 9.2031 115.8041 51.6463 41.5049 173.5074 126 F 5.1071 8.5848 113.9674 55.8809 41.3284 174.7378 127 S 4.7316 8.8680 114.4858 58.6747 64.9117 173.1154 128 R 5.2831 8.1096 115.4175 56.0024 32.0189 173.7112 129 F 5.1902 9.1136 113.9473 55.8060 41.7915 173.2627 130 T 4.3236 8.5052 111.2188 60.8997 70.5350 173.3189 131 L 4.7519 8.5406 128.7325 53.4684 43.1585 174.9090 132 W 4.9687 8.9569 127.1690 55.5401 30.8042 176.4711 133 G 4.4308 8.9524 109.5286 42.7937 0.0000 171.5387 134 L 4.3663 8.6697 124.4836 56.1176 41.9940 176.3011 135 E 4.3403 9.7303 132.8024 56.9310 28.6985 175.0322 136 T 4.7641 7.2266 106.2966 59.1819 71.7546 173.0355 137 I 4.2222 8.1820 123.8499 60.4647 37.7160 174.5468 138 P 4.2548 0.0000 0.0000 62.7601 31.9050 176.4294 139 G 4.1854 8.6770 110.1834 44.0036 0.0000 172.3753 140 P 4.4761 0.0000 0.0000 64.1636 31.6947 177.0021 141 D 4.4667 7.9938 118.3028 54.4682 40.1625 176.1552 142 A 4.2375 7.7669 123.1091 52.3920 20.0901 178.3508 143 K 3.9335 8.6279 122.7187 59.5327 32.3087 179.8709 144 V 3.6596 7.8717 117.9535 66.3492 31.2205 178.0864 145 R 4.1080 8.0962 115.9610 59.1945 30.2568 178.7807 146 G 3.7936 8.0143 105.3878 46.8451 0.0000 175.7764 147 A 4.1462 8.5277 123.5640 54.9990 18.1671 179.6619 148 L 4.2147 8.0797 116.6817 57.2287 40.6411 178.6228 149 T 4.3898 7.7322 108.4639 61.7129 69.1607 176.5035 150 W 4.4871 8.1340 132.4222 60.5493 30.7409 175.9461 151 P 3.6648 0.0000 0.0000 65.5988 29.3299 178.4667 152 S 4.0279 7.8537 111.4345 60.9140 62.2764 175.8279 153 L 4.0911 7.3746 123.0338 57.9419 41.9216 178.4731 154 A 3.5566 7.3047 120.4618 55.0807 17.7758 179.4648 155 A 3.8225 7.3171 117.9852 55.0634 18.8636 179.4975 156 A 4.0626 7.3951 119.2221 55.1340 18.4442 179.8343 157 I 3.6307 7.5999 117.0371 64.9450 37.1693 177.0811 158 H 4.6441 7.9905 113.4940 55.5491 28.7269 175.5777 159 A 4.2245 7.2360 122.1822 51.6150 18.8293 178.0357 160 Q 4.1168 8.3353 119.9327 55.5693 29.4610 176.6790 161 V 3.7433 8.2069 122.4250 62.1061 32.2385 174.1027 162 P 4.4428 0.0000 0.0000 63.0370 31.4496 175.8169 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 A 8.12 4.30 1.31 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 8 A 8.44 3.62 1.31 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 9 I 8.71 3.86 1.88 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 1.40 1.10 0.92 0.00 0.00 10 E 7.84 4.00 0.00 1.93 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 2.43 2.68 0.00 11 R 8.03 4.06 0.00 1.82 2.01 0.00 3.37 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 12 H 7.99 4.59 0.00 3.31 3.30 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.60 4.45 0.00 1.68 1.34 0.00 3.04 0.00 0.00 2.98 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 14 V 7.64 4.19 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 0.72 0.00 0.00 0.84 0.00 0.00 15 H 8.63 4.27 0.00 1.40 2.38 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.14 4.76 0.00 1.58 1.52 0.85 0.85 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 17 R 8.85 4.42 0.00 1.88 1.92 0.00 3.30 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.86 0.00 18 S 9.00 4.09 0.00 3.92 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 19 A 8.09 4.04 1.31 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 20 T 7.48 4.01 4.44 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 0.00 0.00 0.00 1.22 0.00 0.00 21 L 7.42 3.82 0.00 1.70 1.64 0.82 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.31 4.16 0.00 1.74 2.06 0.00 3.31 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 *24 A 7.45 4.26 1.45 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 25 V 8.31 3.69 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 0.96 0.00 0.00 26 P 0.00 5.33 0.00 2.02 2.00 0.00 3.76 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 27 A 8.76 4.80 1.22 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 28 T 8.57 4.37 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 1.28 0.00 0.00 29 L 8.43 4.78 0.00 1.37 1.27 0.43 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.65 5.51 0.00 2.93 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.11 4.59 0.00 1.90 1.79 0.88 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 32 L 8.44 4.96 0.00 1.57 1.46 0.64 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.73 0.00 2.25 2.22 0.00 3.79 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 2.06 2.03 0.00 34 C 7.61 4.80 0.00 3.14 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 35 E 8.61 4.28 0.00 1.92 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 2.21 2.33 0.00 36 V 8.08 4.03 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 0.97 0.00 0.00 0.94 0.00 0.00 37 A 8.79 4.21 1.29 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 0.00 0.00 38 V 6.89 3.93 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 0.75 0.00 0.00 0.93 0.00 0.00 39 D 8.98 4.66 0.00 2.55 2.57 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 0.00 40 G 7.93 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 0.00 0.00 0.00 41 P 0.00 4.49 0.00 2.06 1.99 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 42 A 8.03 4.66 1.14 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 0.00 0.00 0.00 43 P 0.00 4.71 0.00 2.61 2.37 0.00 3.66 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 2.14 2.10 0.00 44 V 7.68 3.76 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 1.19 0.00 0.00 0.91 0.00 0.00 45 G 8.16 3.67 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 0.00 0.00 0.00 46 R 8.02 4.23 0.00 2.07 1.90 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 47 F 8.29 4.53 0.00 3.19 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 48 F 8.21 4.36 0.00 3.06 3.14 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 0.00 49 T 8.39 3.97 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 1.29 0.00 0.00 50 P 0.00 4.27 0.00 1.98 2.09 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 51 A 7.41 4.11 1.29 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 0.00 0.00 52 I 6.82 3.91 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.48 1.11 0.00 0.00 53 R 9.28 4.67 0.00 1.74 1.80 0.00 3.27 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 54 Q 8.83 4.65 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 55 G 8.77 4.31 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 0.00 56 P 0.00 4.07 0.00 2.19 2.20 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 57 E 8.74 4.49 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 2.18 2.28 0.00 58 G 6.46 3.82 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 0.00 0.00 0.00 59 L 7.60 5.13 0.00 1.53 1.82 0.76 1.14 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 60 E 9.16 5.49 0.00 2.09 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 2.24 2.51 0.00 61 V 8.75 4.56 1.45 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 -0.92 0.00 0.00 0.27 0.00 0.00 62 S 8.43 5.21 0.00 3.73 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 63 F 8.81 4.86 0.00 3.09 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 64 R 8.97 3.51 0.00 1.49 1.66 0.00 3.14 0.00 0.00 2.78 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.70 0.00 65 G 8.37 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 0.00 0.00 0.00 66 R 7.60 4.51 0.00 2.02 1.85 0.00 3.13 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 67 C 8.72 4.55 0.00 3.03 2.86 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 68 L 9.26 5.38 0.00 1.57 1.81 0.91 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 69 R 9.20 5.40 0.00 1.95 1.86 0.00 3.31 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 70 G 8.96 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 71 E 7.89 4.87 0.00 1.57 1.75 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 2.14 2.13 0.00 72 E 8.47 4.28 0.00 1.85 1.75 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 2.20 2.18 0.00 73 V 8.63 4.22 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 0.00 0.00 0.69 0.00 0.00 0.57 0.00 0.00 74 A 8.43 4.72 1.20 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 0.00 0.00 75 V 8.56 3.80 2.15 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 0.71 0.00 0.00 0.96 0.00 0.00 76 P 0.00 4.39 0.00 2.21 1.98 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 77 P 0.00 4.16 0.00 2.01 1.97 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 78 G 8.88 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 0.00 0.00 0.00 79 L 7.34 4.89 0.00 1.75 1.46 0.90 0.73 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 80 V 7.79 4.17 1.87 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 0.44 0.00 0.00 0.42 0.00 0.00 81 G 7.64 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 0.00 0.00 0.00 82 Y 8.32 5.44 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 83 V 9.07 4.35 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 0.86 0.00 0.00 1.05 0.00 0.00 84 M 8.53 4.86 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 85 V 8.48 4.39 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 0.99 0.00 0.00 0.95 0.00 0.00 86 T 8.72 4.26 4.25 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 1.28 0.00 0.00 87 E 8.72 4.07 0.00 2.10 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 0.00 2.45 2.34 0.00 88 E 9.03 4.08 0.00 2.01 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 0.00 2.23 1.87 0.00 89 K 7.89 4.45 0.00 1.76 1.62 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 0.99 7.81 90 K 8.35 4.31 0.00 1.77 1.62 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 0.99 7.81 91 V 7.98 3.80 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 0.90 0.00 0.00 0.80 0.00 0.00 92 S 8.62 4.17 0.00 4.00 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 *108 E 8.12 4.37 0.00 2.04 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 0.00 2.13 1.91 0.00 109 E 8.00 4.55 0.00 1.90 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 2.24 2.34 0.00 110 E 8.78 4.09 0.00 1.99 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 2.23 1.90 0.00 111 P 0.00 4.21 0.00 1.92 2.08 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 112 L 8.69 3.75 0.00 1.87 1.78 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.43 4.45 0.00 1.27 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 1.96 1.65 0.00 114 R 7.57 4.25 0.00 1.77 1.96 0.00 3.18 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 115 D 7.82 4.58 0.00 2.76 2.80 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 0.00 116 F 7.78 4.60 0.00 3.13 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 0.00 117 D 8.17 4.73 0.00 2.77 2.63 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 0.00 118 R 7.70 4.33 0.00 1.92 1.82 0.00 3.10 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 119 F 8.93 5.38 0.00 2.93 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 0.00 120 I 9.05 5.03 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 1.16 1.58 0.89 0.00 0.00 121 G 8.59 4.56 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 0.00 0.00 0.00 122 A 8.50 4.79 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 0.00 123 T 9.25 4.35 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 1.24 0.00 0.00 124 A 7.79 5.04 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 0.00 125 N 9.20 5.68 0.00 2.65 2.95 0.00 0.00 6.93 7.41 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 0.00 126 F 8.58 5.11 0.00 3.15 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 0.00 127 S 8.87 4.73 0.00 3.88 4.07 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 0.00 128 R 8.11 5.28 0.00 1.94 1.95 0.00 3.06 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 129 F 9.11 5.19 0.00 3.05 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 0.00 130 T 8.51 4.32 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 1.12 0.00 0.00 131 L 8.54 4.75 0.00 1.45 1.48 1.07 0.93 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 0.00 132 W 8.96 4.97 0.00 3.45 3.19 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 0.00 133 G 8.95 4.43 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 0.00 134 L 8.67 4.37 0.00 1.72 1.68 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.73 4.34 0.00 2.17 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 2.26 2.27 0.00 136 T 7.23 4.76 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 1.24 0.00 0.00 137 I 8.18 4.22 1.85 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 1.36 0.55 0.84 0.00 0.00 138 P 0.00 4.25 0.00 2.04 2.03 0.00 3.66 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 2.06 2.15 0.00 139 G 8.68 4.19 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 0.00 140 P 0.00 4.48 0.00 2.19 2.18 0.00 3.77 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 1.99 1.95 0.00 141 D 7.99 4.47 0.00 2.86 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 0.00 142 A 7.77 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.63 3.93 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.51 7.81 144 V 7.87 3.66 2.22 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 1.22 0.00 0.00 1.01 0.00 0.00 145 R 8.10 4.11 0.00 2.04 2.00 0.00 3.26 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 146 G 8.01 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 0.00 147 A 8.53 4.15 1.45 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 0.00 148 L 8.08 4.21 0.00 1.89 1.84 1.17 0.88 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 0.00 149 T 7.73 4.39 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 1.29 0.00 0.00 150 W 8.13 4.49 0.00 3.37 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 0.00 151 P 0.00 3.66 0.00 2.09 1.94 0.00 3.86 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 152 S 7.85 4.03 0.00 3.85 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 0.00 153 L 7.37 4.09 0.00 2.00 1.86 0.96 1.15 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 0.00 154 A 7.30 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.32 3.82 1.27 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 0.00 0.00 156 A 7.40 4.06 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 0.00 157 I 7.60 3.63 1.76 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.74 0.00 0.00 158 H 7.99 4.64 0.00 3.24 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.24 4.22 1.32 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 0.00 0.00 160 Q 8.34 4.12 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 161 V 8.21 3.74 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 0.81 0.00 0.00 0.93 0.00 0.00 162 P 0.00 4.44 0.00 2.19 2.01 0.00 3.58 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 1.96 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.