NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3503 8.3149 120.1421 55.4032 33.6041 175.6186 2 P 4.2577 0.0000 0.0000 61.8389 32.1530 175.9406 3 A 4.1915 8.4472 123.9405 54.7383 19.6558 179.6903 4 S 4.3161 8.1934 110.0042 61.7565 62.8096 175.7784 5 M 3.9813 7.5589 119.4308 57.2126 31.7380 176.4363 6 Y 4.8766 7.4540 112.4720 57.0117 40.6816 176.3522 7 R 4.4556 8.6957 116.9469 58.4543 29.5653 177.0428 8 D 4.8089 7.8480 116.3302 53.7735 41.6352 176.5462 9 I 4.3288 7.9920 123.1061 60.0214 36.0293 174.9556 10 D 4.9791 8.2116 124.2580 52.2175 40.1849 176.0880 11 K 4.6460 7.8008 116.5166 54.8869 36.1828 174.2550 12 P 4.4267 0.0000 0.0000 62.0872 31.9101 176.3697 13 A 4.2961 8.4658 123.5320 52.7338 18.8615 177.6553 14 Y 4.9285 10.1707 125.8974 55.4675 38.5089 175.2578 15 T 4.4104 7.8225 110.1680 60.5515 70.9570 176.0240 16 R 4.2559 7.7074 121.7918 56.5165 27.9820 177.1002 17 R 3.9372 8.1342 121.4425 57.9114 30.3577 177.7540 18 E 4.0022 7.6970 114.4759 57.4039 30.0224 176.4622 19 Y 4.8331 7.8488 115.0397 57.3071 39.8669 175.1737 20 I 4.6245 7.5865 120.8599 59.4098 39.7605 174.8608 21 T 4.6127 8.2568 114.0600 61.0131 71.5090 173.5118 22 G 3.7944 8.8502 109.8360 46.4210 0.0000 173.4626 23 I 3.9210 7.6994 120.7060 59.6500 37.4569 174.5835 24 P 4.3164 0.0000 0.0000 62.2966 31.7534 176.5824 25 G 3.7904 8.3770 110.3862 45.4305 0.0000 172.7483 26 S 4.5635 8.3204 114.5883 57.2433 62.9272 174.5402 27 K 4.1217 8.7374 126.6893 58.1210 32.1777 177.2300 28 I 3.9358 7.3357 120.9163 61.3174 37.1222 175.8221 29 A 4.2931 9.1832 129.9241 54.2265 18.9729 177.4700 30 Q 4.6728 7.6253 111.6780 54.8809 32.9685 174.0590 31 H 4.6901 8.8558 116.1855 55.7079 31.9484 173.8867 32 K 4.8321 8.1815 116.3998 55.0446 34.6571 175.5942 33 M 4.5581 8.9497 125.0449 53.1325 35.5237 177.3670 34 G 3.4122 8.8193 108.4334 46.6011 0.0000 177.4766 35 R 4.3454 8.2193 120.4703 54.0587 28.7227 176.4902 36 K 4.2813 8.1474 118.2729 57.8280 33.1962 178.7165 37 Q 4.1709 7.8536 118.8009 58.0049 29.3693 176.3571 38 K 4.2209 7.4645 117.0904 56.0442 33.0140 175.6741 39 D 4.7839 8.2689 122.5426 52.6667 42.4003 178.0013 40 A 3.5553 8.2162 123.8870 55.2122 18.5095 179.1837 41 D 4.5084 7.9436 115.0875 57.1853 41.0813 177.4787 42 D 4.6876 7.7723 117.1236 54.6587 40.5368 175.4243 43 Y 4.7989 7.4675 117.2395 55.6269 40.7842 174.3325 44 P 4.4536 0.0000 0.0000 64.5201 32.1017 176.7948 45 V 5.2398 7.8792 117.7413 60.3357 34.1208 174.7102 46 Q 4.7647 8.5889 127.4599 53.4921 32.0288 173.1029 47 I 4.9398 8.1533 127.5315 59.6846 39.9452 175.2115 48 S 5.2713 9.5349 122.8015 56.7435 66.4802 172.9533 49 L 4.8366 8.6989 124.6867 53.6056 43.6870 174.9952 50 I 4.8207 8.7461 128.4050 59.7306 39.6037 175.2316 51 V 4.1986 8.3125 127.2654 62.3814 31.9061 176.4904 52 E 4.2638 8.8934 127.9951 58.0389 29.8768 177.0475 53 E 4.6879 7.8488 117.7775 54.2525 33.2874 175.3501 54 T 4.2790 8.4220 119.2265 63.8533 68.9694 174.2049 55 V 4.6687 8.7147 119.1110 60.5187 37.1796 173.0934 56 Q 4.9997 9.2138 120.1697 54.4519 31.6176 175.0964 57 L 4.8030 8.6994 124.5712 52.6871 44.2232 177.0165 58 R 4.5266 8.6210 123.2836 55.8835 30.9846 177.4649 59 H 4.2566 8.8946 116.7189 58.8036 28.1714 178.2894 60 G 3.4658 7.9899 108.1645 47.8635 0.0000 175.8217 61 S 4.2295 7.9795 117.2803 60.9749 62.8967 176.5835 62 L 3.9779 8.2572 122.2189 57.7138 41.3313 179.1289 63 E 3.8719 8.5283 119.3552 59.1289 29.6150 178.5849 64 A 4.0021 7.9703 120.9822 55.3445 18.3959 179.8109 65 S 4.1544 8.4243 113.0929 61.4376 62.9759 176.6598 66 R 3.8485 8.3795 122.4129 59.0880 29.8808 177.8643 67 L 3.9274 8.5564 120.7501 58.4994 41.3039 179.2232 68 S 4.0416 8.6660 113.7995 60.7963 62.7710 176.1932 69 A 4.0368 7.4309 124.7319 54.8738 18.7273 179.0446 70 N 4.2166 8.3295 115.8470 56.6295 39.1016 177.0264 71 R 3.8402 8.2606 120.5666 59.2347 29.9739 178.0725 72 H 4.1310 7.4827 115.0570 59.0992 29.8725 177.1192 73 L 3.5968 7.5648 120.4993 57.7544 41.2494 179.7357 74 I 3.9178 7.8588 119.9631 64.1923 36.8440 178.3802 75 K 3.9161 7.5730 119.1671 59.1656 32.0806 178.1298 76 E 4.1502 8.0684 117.7412 57.0712 30.0412 177.0199 77 L 4.5152 7.9699 116.9535 53.6696 42.8805 177.1731 78 G 4.3783 8.1648 105.5300 45.1320 0.0000 174.9562 79 E 4.2005 8.6519 118.0558 58.5495 29.5405 177.5856 80 E 4.7372 7.8967 117.9052 55.6198 30.8579 176.1086 81 G 4.2466 7.8475 106.4099 45.2933 0.0000 174.8161 82 D 4.7632 8.4493 120.9448 52.4876 39.7795 173.9789 83 Y 5.0723 7.1834 120.7676 55.8022 42.7898 175.1955 84 K 4.4013 8.7998 118.3527 56.5399 35.6896 174.5363 85 M 5.1596 8.6939 124.2321 54.2957 35.2203 174.6631 86 T 5.1970 8.9789 118.9824 61.9235 73.2621 172.9644 87 L 4.4056 8.9453 128.9184 53.1043 42.3159 175.6666 88 R 4.4834 8.2337 119.4581 56.2244 29.9499 176.5516 89 K 4.8252 7.7520 118.2158 54.8279 35.1180 175.3101 90 F 4.7289 8.5430 119.6933 54.9207 42.4123 174.9348 91 P 4.8180 0.0000 0.0000 63.4454 28.6812 175.7009 92 H 4.3318 7.9801 120.5223 59.3086 29.7762 176.1657 93 Q 4.1508 8.1883 122.2573 56.0541 29.6961 175.6930 94 V 4.3378 8.7703 128.1452 62.6075 32.5611 175.0746 95 L 5.0375 9.0342 127.8832 52.9236 44.3059 175.6402 96 R 5.1700 8.6203 118.0194 54.3977 33.0437 174.0823 97 E 4.6009 8.9000 120.4203 54.1412 33.0688 175.3527 98 N 4.8348 8.4548 126.8511 52.2823 37.7563 176.3005 99 K 4.1285 7.3643 121.7751 55.0258 31.9993 175.3341 *111 D 4.5024 7.8812 121.9611 54.9454 43.7134 172.7254 112 G 4.2796 8.1923 116.2674 46.1444 0.0000 174.2301 113 M 4.2552 9.0459 125.2835 55.5914 32.4556 176.1364 114 R 3.8723 7.8661 119.6869 57.2977 31.3634 175.8980 115 A 3.7452 8.5769 126.3038 53.4343 15.7146 176.8128 116 A 4.2890 7.6605 121.6781 52.7526 19.6726 177.7764 117 F 3.9541 8.4295 118.1289 58.4060 39.3628 175.0165 118 G 3.9037 7.9383 115.4146 45.8465 0.0000 172.4432 119 K 4.5761 8.4479 119.7054 55.8573 34.6971 176.3040 120 I 4.3684 8.3451 122.8857 61.8973 36.8938 176.1112 121 V 4.2102 8.2738 120.0139 62.1359 34.3643 175.8008 122 G 4.0698 7.2474 104.8467 46.4134 0.0000 172.2598 123 T 5.3086 7.7570 108.3246 60.2885 72.5937 172.7738 124 A 5.1212 9.4310 123.8170 50.4945 23.5804 174.4657 125 A 4.9701 8.8821 121.3848 50.2249 21.5910 176.2228 126 R 4.6734 8.6468 122.0811 55.3996 31.2850 176.1061 127 V 4.5250 8.6313 124.7379 60.9932 34.1524 175.2632 128 Q 4.3751 9.6495 127.4456 55.0341 29.4525 175.5908 129 A 4.3363 8.3092 124.5862 53.9237 18.7836 178.0566 130 G 4.0398 9.3442 111.8257 45.4049 0.0000 174.1611 131 E 4.1543 8.0207 119.3194 56.0108 30.1134 175.6767 132 Q 4.8042 8.2757 119.2928 54.6541 29.4637 175.2677 133 L 4.0225 8.6929 126.3692 57.0380 43.3430 176.4841 134 F 5.2351 7.7825 115.4126 56.1687 43.6049 174.9112 135 T 4.9782 8.9192 117.4952 62.9760 72.3044 173.4087 136 A 4.9819 9.3642 129.1448 50.7733 22.5796 175.0461 137 Y 5.1330 8.2523 115.6626 57.0728 42.6574 174.7732 138 C 5.0264 9.1551 118.4485 57.3769 34.1281 172.7993 139 N 5.0721 8.9024 115.6286 51.9568 39.2120 176.6092 140 V 3.5948 8.5529 120.5887 66.4968 31.8128 178.3594 141 E 4.0004 8.2059 117.7994 59.5191 29.5103 177.3090 142 D 4.6474 8.3195 116.3991 54.4741 41.0223 178.0737 143 A 3.9328 7.6964 123.1815 55.3196 17.9765 180.1469 144 E 3.9036 7.9608 116.2235 59.3122 29.6168 178.9612 145 H 4.3662 7.8736 116.5333 58.4848 29.0546 177.8005 146 V 3.3335 7.4209 121.0998 64.2511 31.2577 178.6141 147 K 3.9226 7.5813 119.2812 58.8461 31.9484 178.7888 148 E 3.8798 7.7174 119.3983 58.7667 29.6781 178.5105 149 A 3.8632 7.8594 120.9985 54.9968 18.3010 179.6881 150 F 4.3602 7.8552 116.0317 60.6101 38.7628 177.7982 151 R 2.6959 7.5718 117.4353 59.2901 30.1108 178.5551 152 R 3.8721 7.6823 117.2358 58.8805 29.8813 178.8941 153 A 4.0821 7.6138 120.6909 54.9555 18.1780 178.7979 154 Y 4.3857 7.7281 114.5096 59.1035 38.4144 177.0126 155 N 4.8224 7.7332 116.1479 54.5132 38.8603 175.6066 156 K 4.6269 7.5917 118.8029 55.6367 32.6034 175.7596 157 I 4.7569 7.3638 111.0086 59.0358 40.6596 175.0552 158 T 3.9776 8.9087 119.7070 66.4248 68.2693 173.1079 159 P 4.5762 0.0000 0.0000 61.9909 32.8070 175.3625 160 S 4.4704 8.1227 113.9852 58.4182 64.4295 173.1489 161 C 5.2240 7.9375 118.0620 58.3582 32.9682 173.4186 162 R 4.5915 8.9204 118.8174 54.5773 32.7794 175.3384 163 I 4.6543 8.6247 125.5235 60.6521 38.0410 174.7125 164 D 4.8468 9.3671 128.7059 52.4221 43.3021 174.9894 165 S 4.4800 8.7194 121.7502 59.0389 62.5897 172.7535 166 S 4.0414 9.2712 127.2572 60.2079 62.4157 174.4584 167 P 4.4124 0.0000 0.0000 63.5068 32.3377 175.5937 168 A 5.0964 8.1124 122.4645 52.1102 20.1544 175.4417 169 G 4.0579 8.4058 109.2932 45.4728 0.0000 172.6534 170 N 4.7354 7.9290 116.7438 51.5380 37.4977 175.1553 171 A 4.2377 7.3744 124.2796 52.4122 19.4423 176.2477 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 K 8.31 4.35 0.00 1.87 1.98 0.00 1.99 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.51 7.81 2 P 0.00 4.26 0.00 2.25 1.97 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 3 A 8.45 4.19 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 4 S 8.19 4.32 0.00 3.95 4.02 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 5 M 7.56 3.98 0.00 1.21 1.82 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 6 Y 7.45 4.88 0.00 2.91 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 7 R 8.70 4.46 0.00 1.96 2.29 0.00 3.05 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 8 D 7.85 4.81 0.00 2.83 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 9 I 7.99 4.33 1.89 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 1.50 0.56 0.93 0.00 0.00 10 D 8.21 4.98 0.00 2.69 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 11 K 7.80 4.65 0.00 1.72 1.67 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.45 7.81 12 P 0.00 4.43 0.00 2.10 2.03 0.00 3.67 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 2.05 2.10 0.00 13 A 8.47 4.30 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 14 Y 10.17 4.93 0.00 2.90 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 15 T 7.82 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 1.27 0.00 0.00 16 R 7.71 4.26 0.00 2.07 2.17 0.00 3.32 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 17 R 8.13 3.94 0.00 1.72 1.92 0.00 3.16 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 18 E 7.70 4.00 0.00 1.52 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 1.47 1.47 0.00 19 Y 7.85 4.83 0.00 2.95 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 20 I 7.59 4.62 1.72 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 0.82 0.00 0.00 21 T 8.26 4.61 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 1.22 0.00 0.00 22 G 8.85 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 23 I 7.70 3.92 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.87 0.00 0.00 24 P 0.00 4.32 0.00 2.00 2.00 0.00 3.64 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 2.10 2.09 0.00 25 G 8.38 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 26 S 8.32 4.56 0.00 3.88 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 27 K 8.74 4.12 0.00 1.61 1.77 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.32 7.81 28 I 7.34 3.94 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.43 0.63 0.00 0.00 29 A 9.18 4.29 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 30 Q 7.63 4.67 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 31 H 8.86 4.69 0.00 3.15 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.18 4.83 0.00 1.65 1.77 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.54 7.81 33 M 8.95 4.56 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 34 G 8.82 3.41 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 0.00 35 R 8.22 4.35 0.00 1.89 1.86 0.00 3.15 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 1.48 1.53 0.00 36 K 8.15 4.28 0.00 1.88 1.94 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 37 Q 7.85 4.17 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.09 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 38 K 7.46 4.22 0.00 1.74 1.92 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.45 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.47 1.44 7.81 39 D 8.27 4.78 0.00 2.99 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 3.56 0.34 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 0.00 0.00 0.00 41 D 7.94 4.51 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.77 4.69 0.00 2.53 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 43 Y 7.47 4.80 0.00 3.14 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 44 P 0.00 4.45 0.00 2.11 2.15 0.00 4.03 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 45 V 7.88 5.24 2.33 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 0.96 0.00 0.00 0.98 0.00 0.00 46 Q 8.59 4.76 0.00 2.35 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.65 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 47 I 8.15 4.94 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 1.06 0.00 0.00 48 S 9.53 5.27 0.00 3.73 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 49 L 8.70 4.84 0.00 0.27 1.12 0.93 1.05 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 50 I 8.75 4.82 1.87 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 1.10 0.62 1.00 0.00 0.00 51 V 8.31 4.20 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 0.98 0.00 0.00 0.91 0.00 0.00 52 E 8.89 4.26 0.00 2.01 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 2.32 2.25 0.00 53 E 7.85 4.69 0.00 1.88 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 2.18 2.27 0.00 54 T 8.42 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 1.27 0.00 0.00 55 V 8.71 4.67 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 0.68 0.00 0.00 0.98 0.00 0.00 56 Q 9.21 5.00 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 57 L 8.70 4.80 0.00 1.54 1.56 0.90 0.87 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 58 R 8.62 4.53 0.00 1.89 1.87 0.00 2.94 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 59 H 8.89 4.26 0.00 3.33 3.51 0.00 5.27 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 60 G 7.99 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.98 4.23 0.00 4.03 4.06 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 62 L 8.26 3.98 0.00 1.91 1.65 0.86 0.77 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 63 E 8.53 3.87 0.00 2.05 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 2.33 2.35 0.00 64 A 7.97 4.00 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 65 S 8.42 4.15 0.00 4.32 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 66 R 8.38 3.85 0.00 2.31 2.17 0.00 3.26 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.96 0.00 67 L 8.56 3.93 0.00 2.09 1.84 0.97 1.15 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 68 S 8.67 4.04 0.00 3.99 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 0.00 69 A 7.43 4.04 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 70 N 8.33 4.22 0.00 2.75 2.83 0.00 0.00 6.94 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 71 R 8.26 3.84 0.00 2.11 1.88 0.00 3.12 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 72 H 7.48 4.13 0.00 3.21 3.32 0.00 5.85 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 73 L 7.56 3.60 0.00 1.47 0.54 0.41 0.30 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 74 I 7.86 3.92 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 0.91 0.00 0.00 75 K 7.57 3.92 0.00 1.72 1.84 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.41 7.81 76 E 8.07 4.15 0.00 1.59 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 1.93 2.03 0.00 77 L 7.97 4.52 0.00 1.75 1.71 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.16 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 79 E 8.65 4.20 0.00 1.99 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 2.33 2.35 0.00 80 E 7.90 4.74 0.00 1.91 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 2.19 2.27 0.00 81 G 7.85 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 0.00 0.00 0.00 0.00 82 D 8.45 4.76 0.00 2.71 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 83 Y 7.18 5.07 0.00 3.13 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 84 K 8.80 4.40 0.00 1.82 1.82 0.00 1.39 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.85 1.37 7.81 85 M 8.69 5.16 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.74 0.00 86 T 8.98 5.20 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 1.39 0.00 0.00 87 L 8.95 4.41 0.00 1.64 1.60 0.17 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.23 4.48 0.00 1.95 2.08 0.00 3.09 0.00 0.00 3.35 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 89 K 7.75 4.83 0.00 1.59 1.69 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.29 7.81 90 F 8.54 4.73 0.00 2.71 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 91 P 0.00 4.82 0.00 2.14 2.08 0.00 3.80 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 1.99 0.00 92 H 7.98 4.33 0.00 3.21 3.39 0.00 5.70 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 93 Q 8.19 4.15 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 94 V 8.77 4.34 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 0.86 0.00 0.00 0.88 0.00 0.00 95 L 9.03 5.04 0.00 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7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 115 A 8.58 3.75 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 0.00 0.00 0.00 0.00 0.00 116 A 7.66 4.29 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 0.00 117 F 8.43 3.95 0.00 2.95 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 0.00 118 G 7.94 3.90 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 0.00 0.00 0.00 119 K 8.45 4.58 0.00 1.92 1.98 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.43 7.81 120 I 8.35 4.37 1.91 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 1.50 0.66 0.98 0.00 0.00 121 V 8.27 4.21 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 0.76 0.00 0.00 0.89 0.00 0.00 122 G 7.25 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 0.00 0.00 0.00 123 T 7.76 5.31 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 1.15 0.00 0.00 124 A 9.43 5.12 1.18 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 0.00 125 A 8.88 4.97 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 0.00 126 R 8.65 4.67 0.00 1.74 1.91 0.00 3.19 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 127 V 8.63 4.53 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 1.04 0.00 0.00 0.89 0.00 0.00 128 Q 9.65 4.38 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 129 A 8.31 4.34 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 0.00 130 G 9.34 4.04 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 0.00 131 E 8.02 4.15 0.00 2.17 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 2.35 0.00 132 Q 8.28 4.80 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 133 L 8.69 4.02 0.00 1.68 1.55 0.67 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.78 5.24 0.00 2.54 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.92 4.98 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 0.79 0.00 0.00 136 A 9.36 4.98 1.06 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 0.00 0.00 137 Y 8.25 5.13 0.00 2.34 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 0.00 138 C 9.16 5.03 0.00 3.03 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 0.00 139 N 8.90 5.07 0.00 2.86 2.82 0.00 0.00 6.40 7.68 0.00 0.00 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 V 8.55 3.59 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 1.00 0.00 0.00 1.00 0.00 0.00 141 E 8.21 4.00 0.00 2.02 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 2.32 2.34 0.00 142 D 8.32 4.65 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 3.93 1.34 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 0.00 0.00 0.00 144 E 7.96 3.90 0.00 1.83 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 2.33 2.28 0.00 145 H 7.87 4.37 0.00 3.21 3.17 0.00 5.62 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 0.00 146 V 7.42 3.33 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 0.64 0.00 0.00 0.16 0.00 0.00 147 K 7.58 3.92 0.00 1.86 1.86 0.00 1.91 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.54 7.81 148 E 7.72 3.88 0.00 2.18 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 2.19 2.08 0.00 149 A 7.86 3.86 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 0.00 150 F 7.86 4.36 0.00 3.12 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 0.00 151 R 7.57 2.70 0.00 1.79 1.84 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.59 0.00 152 R 7.68 3.87 0.00 1.93 1.84 0.00 2.98 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 153 A 7.61 4.08 1.24 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 0.00 0.00 0.00 154 Y 7.73 4.39 0.00 2.97 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 0.00 155 N 7.73 4.82 0.00 2.93 2.95 0.00 0.00 6.82 7.49 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 0.00 156 K 7.59 4.63 0.00 1.71 1.81 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.34 7.81 157 I 7.36 4.76 1.91 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 1.67 0.72 0.97 0.00 0.00 158 T 8.91 3.98 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 1.22 0.00 0.00 159 P 0.00 4.58 0.00 2.15 2.06 0.00 3.68 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 0.00 160 S 8.12 4.47 0.00 3.79 3.66 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 0.00 161 C 7.94 5.22 0.00 2.81 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 0.00 162 R 8.92 4.59 0.00 1.70 1.81 0.00 3.10 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 163 I 8.62 4.65 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 1.10 0.00 0.00 164 D 9.37 4.85 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.72 4.48 0.00 3.94 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 0.00 166 S 9.27 4.04 0.00 4.04 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.41 0.00 2.16 2.09 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 168 A 8.11 5.10 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 0.00 169 G 8.41 4.06 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 0.00 0.00 0.00 170 N 7.93 4.74 0.00 2.73 2.81 0.00 0.00 6.80 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 0.00 171 A 7.37 4.24 1.18 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 * Residues marked with a * may have inaccurate shift predictions.