NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7621 8.3549 109.7379 45.9805 0.0000 172.0405 2 S 3.2555 9.2765 125.0279 58.4298 59.3602 165.4156 3 S 3.7767 8.6033 127.5382 57.6784 64.8545 170.2683 4 G 3.4623 9.2661 115.0533 45.1649 0.0000 174.7647 5 S 3.6407 9.2368 111.9740 59.3433 60.2252 171.6714 6 S 4.0848 7.7648 116.0774 58.5875 62.5800 174.5470 7 G 4.0278 6.4491 118.5612 45.3615 0.0000 172.6931 8 M 4.5614 7.2983 116.3158 56.0512 34.2750 177.9090 9 E 3.9782 8.2497 117.7186 58.4341 29.5962 177.8917 10 A 4.3276 7.8203 119.8242 54.2931 19.4920 179.1697 11 V 3.5878 7.6347 115.4480 66.2254 31.7993 177.8740 12 L 4.1463 8.0847 117.8060 58.0022 41.5495 178.6583 13 N 4.3542 7.6099 114.0938 55.4575 38.9369 175.0369 14 E 3.9750 8.4740 121.6522 56.3068 30.3116 175.9325 15 L 4.9189 7.9632 124.9198 53.1957 43.8536 176.0041 16 V 3.7902 7.8564 119.4521 61.9236 32.3809 175.5433 17 S 4.7667 8.2184 116.4869 56.3308 65.6911 175.3119 18 V 3.5674 8.7737 125.3869 65.3234 30.7434 177.9033 19 E 4.0282 8.3466 120.0091 59.0806 29.1635 178.5430 20 D 4.3634 7.9684 117.8816 57.2359 40.8132 177.9839 21 L 4.0160 8.5944 121.3384 58.5732 41.9074 179.4107 22 K 4.1560 9.2131 118.9765 59.5663 31.5418 178.8465 23 N 4.2417 7.8721 116.5899 56.4699 38.4168 177.5157 24 F 4.1343 8.6594 119.1153 60.6960 39.2249 177.3699 25 E 3.6323 9.6288 119.6314 59.3030 29.1319 179.1477 26 R 3.8551 8.3293 118.9711 59.0993 30.1380 178.2652 27 K 3.8840 7.6224 118.7683 59.4470 32.3068 178.2330 28 F 4.0749 8.5621 121.2591 61.5949 39.2075 176.9394 29 Q 3.8345 8.0993 117.3210 58.9687 28.4799 178.2923 30 S 4.0296 8.6597 114.1859 61.9627 62.4304 176.0354 31 E 3.8675 8.7875 121.3596 59.7516 29.3243 179.3442 32 Q 3.7437 7.7517 118.8163 59.1701 29.0341 178.0453 33 A 4.1518 7.8951 119.6491 53.8374 18.4645 178.9037 34 A 4.1809 8.1365 119.9581 53.0097 18.5770 179.2598 35 G 4.9760 7.2279 116.8732 45.8408 0.0000 173.2541 36 S 4.9603 6.9736 116.7558 57.5328 65.7661 177.3103 37 V 3.5536 8.1807 124.9337 62.8663 32.0408 175.7943 38 S 4.6340 8.5298 123.2065 57.2080 65.0513 175.3136 39 K 4.1433 8.8423 126.0604 61.1598 31.9996 178.1994 40 S 4.1843 8.5192 113.2587 62.8013 62.4327 176.4506 41 T 4.1486 8.0716 118.5424 65.9621 68.4581 175.7014 42 Q 4.3564 8.5438 121.3390 59.9998 29.0189 178.6950 43 F 4.2133 9.0738 121.4788 62.0996 39.4242 176.1213 44 E 3.9079 8.7213 118.3227 58.5974 28.9245 178.1449 45 Y 3.9513 8.9814 119.4729 61.1115 39.0787 178.7613 46 A 3.9207 7.9481 121.2411 55.1398 18.4819 179.4245 47 W 3.9978 8.1934 126.6977 60.6573 30.3342 178.0016 48 C 3.4197 7.6622 116.3667 62.7457 27.7310 175.4095 49 L 3.7169 8.0926 121.7075 57.2020 40.8233 179.6044 50 V 3.4202 7.5767 113.3035 64.9358 31.9928 178.7775 51 R 3.4078 7.1761 117.2857 58.0857 29.7614 176.9976 52 S 4.2025 7.0982 112.2791 57.5949 63.1804 174.4071 53 K 4.1323 8.4488 122.5257 58.6405 33.0697 177.3850 54 Y 4.1998 7.7142 118.5790 57.0938 40.0162 176.1548 55 N 4.2103 8.5860 121.3595 56.4483 38.8880 177.4259 56 E 3.9143 8.2718 119.6953 59.7641 29.5058 179.0348 57 D 4.2050 8.1734 117.9193 57.6844 40.9159 178.7887 58 I 3.5421 7.0602 119.5359 64.4503 36.5315 178.3748 59 R 3.8424 8.0021 119.4940 59.3749 29.8729 178.2234 60 R 4.3263 8.2456 112.8437 57.0685 29.8040 177.5675 61 G 3.6471 7.8811 107.4442 47.0503 0.0000 176.0474 62 I 3.7000 8.2390 123.1489 64.4712 36.9613 178.5536 63 V 3.5384 7.1195 116.9317 65.2236 31.2634 177.6871 64 L 4.1642 7.9332 119.6033 57.1241 41.7574 179.3981 65 L 3.8315 7.9557 118.6540 58.0555 41.4239 179.4079 66 E 4.2141 9.4753 116.1389 58.4268 29.5155 178.4397 67 E 4.2469 8.2048 118.5666 58.2590 29.8696 177.9267 68 L 4.3294 7.4950 117.5033 55.8537 41.9189 178.3215 69 L 4.3188 7.4779 119.5922 57.6192 41.4562 177.6399 70 P 4.3864 0.0000 0.0000 64.9895 31.8264 176.9057 71 K 4.4233 7.6534 116.4349 56.1582 31.8656 176.4518 72 G 4.1606 7.5770 108.7458 44.0960 0.0000 173.1648 73 S 4.3467 7.7017 113.4764 58.7504 62.7542 174.8968 74 K 4.5865 6.8725 118.0706 56.1893 39.2071 177.5369 75 E 3.8486 8.2175 122.2784 59.2824 29.9594 179.1518 76 E 3.3464 7.7419 119.6973 59.1150 29.4795 178.6846 77 Q 4.0599 7.8864 117.9258 58.2146 28.7774 178.7216 78 R 3.7995 7.2228 119.9296 59.0265 29.8840 178.0454 79 D 4.2327 7.3742 115.3870 56.7874 41.5063 176.6411 80 Y 4.5509 7.2580 116.8474 59.4259 37.7998 177.4473 81 V 3.1401 8.3517 119.0370 66.4422 31.7634 178.2832 82 F 4.2733 7.6753 118.6330 61.8385 38.9753 177.0266 83 Y 4.2429 8.5801 116.6046 61.1232 37.8538 177.6465 84 L 3.7522 8.0629 119.1638 58.0735 40.9652 179.6169 85 A 4.1418 8.3901 120.6827 55.0955 18.5511 179.5869 86 V 3.8527 7.4979 116.9042 66.4067 31.3472 178.5713 87 G 3.6182 8.7453 104.3756 47.7126 0.0000 175.1678 88 N 4.5257 8.4970 119.3817 56.2980 38.5742 176.5615 89 Y 4.2445 9.3747 121.3725 61.1176 38.5843 178.1833 90 R 3.4492 7.7726 117.5187 58.9935 29.7523 177.1012 91 L 4.4123 7.9860 118.0512 53.6269 41.9910 176.9602 92 K 3.0176 7.8586 115.7899 57.5190 32.4901 176.3194 93 E 4.1727 7.1920 117.3906 56.0263 26.9036 177.0449 94 Y 4.5764 6.9019 120.8994 61.5991 38.5951 178.3006 95 E 4.0087 8.4244 118.8214 59.7020 29.4834 179.8029 96 K 3.8841 8.1516 117.1487 59.6592 32.2708 178.7357 97 A 4.1686 8.8314 121.4999 55.8460 17.5302 179.2676 98 L 4.3588 9.0012 116.7954 58.0745 41.7799 179.8177 99 K 4.5336 7.8970 118.7408 59.7826 31.9844 177.6908 100 Y 4.6298 8.2845 116.6122 60.1764 38.2939 177.9151 101 V 3.8829 8.9703 119.8309 65.1986 31.5832 178.3591 102 R 4.1588 9.5820 118.6511 59.3256 29.7520 179.0277 103 G 3.6959 7.7990 103.9128 47.5956 0.0000 175.3566 104 L 3.8956 8.0891 122.6922 57.9390 41.8809 178.9530 105 L 4.5185 7.4265 119.7383 57.0471 41.6057 178.5539 106 Q 4.0621 8.0315 119.0455 59.1293 28.9641 177.7463 107 T 4.3998 7.3423 111.6200 61.8115 69.6906 174.3893 108 E 4.6355 8.0533 120.8065 53.7792 29.3057 174.3743 109 P 4.3328 0.0000 0.0000 65.3437 32.3931 179.8639 110 Q 3.9219 7.9808 115.9921 58.2904 28.7779 175.7900 111 N 4.0657 7.4710 114.0669 53.9489 39.5736 174.9093 112 N 4.3113 8.6714 125.6828 56.5770 38.8918 177.1106 113 Q 3.9928 8.0646 118.8338 59.2285 28.7921 179.5549 114 A 4.0847 9.7125 121.9002 55.2932 18.4400 179.4074 115 K 3.8281 7.6921 116.9504 60.0430 32.1378 178.7398 116 E 3.8547 8.7561 118.4394 59.8537 29.5232 179.2508 117 L 3.7300 8.3579 119.5897 58.5223 42.3135 178.8254 118 E 3.8792 8.3944 119.0040 59.6643 29.5993 179.5193 119 R 3.8907 7.7689 117.2107 59.2717 30.1915 178.4682 120 L 3.8776 8.2455 118.9475 58.4280 41.6141 179.6681 121 I 3.8116 8.3446 119.4214 64.4214 36.9470 177.9118 122 D 4.2355 7.8516 118.6659 57.4452 40.9494 178.7396 123 K 4.0026 8.4849 118.9015 59.2558 31.9600 178.7514 124 A 4.0396 8.2633 121.3508 55.7841 17.9445 179.1558 125 M 3.9362 7.1115 115.4642 58.6263 32.2141 178.6409 126 K 4.0081 7.2872 116.3703 59.6598 32.4281 178.3064 127 K 4.1151 8.2541 117.6754 57.7732 32.2238 177.1960 128 S 4.4974 8.5253 112.6747 57.2842 65.4158 173.5785 129 G 4.4572 8.3960 115.6558 43.0751 0.0000 170.5207 130 P 4.1970 0.0000 0.0000 64.4434 31.6828 176.8134 131 S 3.9813 7.9592 111.4538 57.4558 62.5040 169.5910 132 S 4.4126 8.4982 118.9660 59.8520 61.7442 174.2652 133 G 4.0260 8.6708 115.6788 45.5977 0.0000 171.7521 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 G 8.35 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 0.00 0.00 0.00 2 S 9.28 3.26 0.00 4.12 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 3 S 8.60 3.78 0.00 4.03 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 4 G 9.27 3.46 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 0.00 5 S 9.24 3.64 0.00 4.02 3.92 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 6 S 7.76 4.08 0.00 3.84 3.84 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 7 G 6.45 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 M 7.30 4.56 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 9 E 8.25 3.98 0.00 2.08 1.95 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 2.39 2.39 0.00 10 A 7.82 4.33 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 11 V 7.63 3.59 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 1.04 0.00 0.00 1.15 0.00 0.00 12 L 8.08 4.15 0.00 1.76 1.74 0.51 1.00 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 13 N 7.61 4.35 0.00 3.02 2.86 0.00 0.00 7.25 7.56 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 14 E 8.47 3.98 0.00 2.07 1.83 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 2.30 2.25 0.00 15 L 7.96 4.92 0.00 1.68 1.49 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.86 3.79 1.81 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 0.56 0.00 0.00 0.62 0.00 0.00 17 S 8.22 4.77 0.00 3.75 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 18 V 8.77 3.57 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 0.80 0.00 0.00 0.90 0.00 0.00 19 E 8.35 4.03 0.00 2.05 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 2.39 2.44 0.00 20 D 7.97 4.36 0.00 3.07 2.91 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 21 L 8.59 4.02 0.00 1.69 1.82 1.07 0.48 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 22 K 9.21 4.16 0.00 1.90 1.86 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.63 7.81 23 N 7.87 4.24 0.00 2.96 2.57 0.00 0.00 6.97 9.12 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 24 F 8.66 4.13 0.00 3.32 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 25 E 9.63 3.63 0.00 2.40 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 2.27 2.09 0.00 26 R 8.33 3.86 0.00 1.90 2.19 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 27 K 7.62 3.88 0.00 1.90 1.89 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.46 7.81 28 F 8.56 4.07 0.00 2.91 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 29 Q 8.10 3.83 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 30 S 8.66 4.03 0.00 4.03 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 31 E 8.79 3.87 0.00 2.13 1.95 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 2.38 2.49 0.00 32 Q 7.75 3.74 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 33 A 7.90 4.15 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 34 A 8.14 4.18 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 35 G 7.23 4.98 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 0.00 0.00 0.00 36 S 6.97 4.96 0.00 3.99 3.84 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 37 V 8.18 3.55 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 0.69 0.00 0.00 0.30 0.00 0.00 38 S 8.53 4.63 0.00 3.97 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 39 K 8.84 4.14 0.00 2.04 2.19 0.00 1.61 0.00 0.00 1.94 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.58 7.81 40 S 8.52 4.18 0.00 4.22 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 0.00 41 T 8.07 4.15 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 1.51 0.00 0.00 42 Q 8.54 4.36 0.00 2.45 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 43 F 9.07 4.21 0.00 3.22 3.37 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 44 E 8.72 3.91 0.00 2.53 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 2.75 2.79 0.00 45 Y 8.98 3.95 0.00 2.91 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 46 A 7.95 3.92 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.19 4.00 0.00 2.72 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 48 C 7.66 3.42 0.00 2.47 2.45 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 49 L 8.09 3.72 0.00 1.27 1.37 0.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.58 3.42 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 0.67 0.00 0.00 0.64 0.00 0.00 51 R 7.18 3.41 0.00 1.28 1.51 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 52 S 7.10 4.20 0.00 3.57 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 53 K 8.45 4.13 0.00 1.84 1.90 0.00 1.62 0.00 0.00 1.56 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.74 7.81 54 Y 7.71 4.20 0.00 3.03 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 55 N 8.59 4.21 0.00 2.77 2.81 0.00 0.00 6.95 7.57 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 56 E 8.27 3.91 0.00 2.06 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 0.00 2.44 2.45 0.00 57 D 8.17 4.21 0.00 2.81 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 58 I 7.06 3.54 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.51 0.90 0.00 0.00 59 R 8.00 3.84 0.00 1.84 1.98 0.00 3.08 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 60 R 8.25 4.33 0.00 1.94 2.01 0.00 3.15 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 61 G 7.88 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.24 3.70 1.88 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 1.61 1.00 1.01 0.00 0.00 63 V 7.12 3.54 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 0.91 0.00 0.00 0.97 0.00 0.00 64 L 7.93 4.16 0.00 1.70 1.85 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.96 3.83 0.00 1.99 1.69 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 66 E 9.48 4.21 0.00 2.20 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 2.56 2.44 0.00 67 E 8.20 4.25 0.00 2.07 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 2.36 2.54 0.00 68 L 7.50 4.33 0.00 0.80 1.42 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.48 4.32 0.00 1.83 1.84 1.12 0.76 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 70 P 0.00 4.39 0.00 2.22 2.23 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 71 K 7.65 4.42 0.00 2.06 1.91 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.49 7.81 72 G 7.58 4.16 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 0.00 73 S 7.70 4.35 0.00 3.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 6.87 4.59 0.00 1.71 1.49 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.34 7.81 75 E 8.22 3.85 0.00 2.03 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 2.25 2.23 0.00 76 E 7.74 3.35 0.00 1.80 1.44 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 2.13 2.19 0.00 77 Q 7.89 4.06 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.86 0.00 0.00 0.00 0.00 0.00 2.65 2.42 0.00 78 R 7.22 3.80 0.00 1.88 1.78 0.00 3.21 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 79 D 7.37 4.23 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.26 4.55 0.00 3.09 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 81 V 8.35 3.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.09 0.00 0.00 82 F 7.68 4.27 0.00 3.06 2.84 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 83 Y 8.58 4.24 0.00 3.09 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 0.00 84 L 8.06 3.75 0.00 1.09 1.02 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.39 4.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.50 3.85 2.34 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 1.14 0.00 0.00 0.77 0.00 0.00 87 G 8.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.50 4.53 0.00 3.14 3.18 0.00 0.00 6.99 7.38 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 89 Y 9.37 4.24 0.00 3.19 3.37 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 90 R 7.77 3.45 0.00 2.10 1.92 0.00 3.39 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 91 L 7.99 4.41 0.00 1.70 1.55 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.86 3.02 0.00 1.36 1.63 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.12 1.05 7.81 93 E 7.19 4.17 0.00 2.09 1.95 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 2.33 2.45 0.00 94 Y 6.90 4.58 0.00 3.04 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 95 E 8.42 4.01 0.00 2.02 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 2.47 2.50 0.00 96 K 8.15 3.88 0.00 2.03 1.90 0.00 1.60 0.00 0.00 1.94 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.53 7.81 97 A 8.83 4.17 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 0.00 0.00 0.00 0.00 0.00 98 L 9.00 4.36 0.00 1.94 1.80 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.90 4.53 0.00 2.01 1.81 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.47 7.81 100 Y 8.28 4.63 0.00 3.34 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 0.00 101 V 8.97 3.88 2.35 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 1.12 0.00 0.00 1.06 0.00 0.00 102 R 9.58 4.16 0.00 1.93 1.97 0.00 3.37 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 103 G 7.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.09 3.90 0.00 1.92 1.80 0.88 0.65 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 0.00 105 L 7.43 4.52 0.00 1.91 1.72 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.03 4.06 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 107 T 7.34 4.40 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 1.34 0.00 0.00 108 E 8.05 4.64 0.00 1.96 1.71 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 2.17 2.23 0.00 109 P 0.00 4.33 0.00 2.19 2.28 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 110 Q 7.98 3.92 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 111 N 7.47 4.07 0.00 2.66 2.88 0.00 0.00 6.79 5.83 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 0.00 112 N 8.67 4.31 0.00 2.75 2.83 0.00 0.00 7.02 7.72 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 0.00 113 Q 8.06 3.99 0.00 1.98 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.97 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 114 A 9.71 4.08 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 0.00 115 K 7.69 3.83 0.00 1.83 1.87 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 116 E 8.76 3.85 0.00 2.07 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 2.35 2.51 0.00 117 L 8.36 3.73 0.00 1.99 1.73 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.39 3.88 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 119 R 7.77 3.89 0.00 2.11 1.94 0.00 3.28 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 120 L 8.25 3.88 0.00 1.61 1.54 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.34 3.81 1.91 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 1.84 0.52 0.95 0.00 0.00 122 D 7.85 4.24 0.00 3.04 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 0.00 123 K 8.48 4.00 0.00 1.91 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 124 A 8.26 4.04 1.09 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 0.00 0.00 125 M 7.11 3.94 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.59 0.00 126 K 7.29 4.01 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 127 K 8.25 4.12 0.00 1.94 1.89 0.00 1.86 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.47 7.81 128 S 8.53 4.50 0.00 3.78 3.74 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 0.00 129 G 8.40 4.46 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 0.00 130 P 0.00 4.20 0.00 2.19 2.16 0.00 3.94 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 131 S 7.96 3.98 0.00 4.05 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 0.00 132 S 8.50 4.41 0.00 3.87 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 0.00 133 G 8.67 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00