NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0697 8.0393 120.3835 62.5325 32.6836 174.5828 2 K 4.3994 8.3616 125.1095 54.5376 35.2860 173.8981 3 L 4.7286 8.1901 123.0171 53.2374 44.4100 178.4207 4 S 4.4690 8.8108 118.3251 57.4363 65.3921 175.0800 5 E 3.9002 8.6784 122.4502 59.6870 29.2738 178.6208 6 D 4.5146 8.0936 118.4093 56.5122 39.4897 178.4119 7 Q 4.0842 7.6410 119.3269 58.7619 28.6883 178.3126 8 E 3.8965 8.2707 119.7036 59.7735 29.5650 179.1710 9 H 4.2456 8.1977 116.2458 58.6773 28.6717 177.3544 10 Y 4.0288 8.0015 121.5912 60.7820 38.7443 177.8644 11 I 3.2944 7.6872 119.5535 63.8095 37.7250 177.9940 12 K 4.0324 7.7685 118.8759 59.2756 31.9997 179.2773 13 G 3.6879 7.9600 105.9828 47.6473 0.0000 175.9958 14 V 3.7684 7.4749 122.0019 65.0435 31.3448 177.9667 15 W 4.4018 8.0223 126.6843 59.9354 30.5405 177.5506 16 K 4.1860 7.7017 117.5493 58.4119 31.7078 178.0383 17 D 4.5215 7.8625 117.1525 55.5913 41.8929 176.9274 18 V 3.7830 7.0614 111.0477 60.0692 32.9194 175.4896 19 D 4.2780 8.1776 121.7492 53.8716 40.5710 176.2845 20 H 3.6261 8.3963 124.5278 59.2399 29.2534 177.8182 21 K 4.0059 8.0010 118.9839 59.5687 32.1274 178.6667 22 Q 3.9084 8.1115 119.4215 59.2305 29.0423 177.9945 23 I 3.6631 7.8188 119.5814 64.0830 37.9455 178.0612 24 T 3.6607 7.7366 116.3096 66.2906 68.3292 176.6347 25 A 3.9708 8.0824 122.7775 55.0508 18.4067 179.8840 26 K 3.8351 8.0138 116.8402 59.4678 32.0970 179.4826 27 A 3.7362 7.6546 121.0372 54.8033 18.1278 179.7832 28 L 3.3545 7.7338 117.5437 57.6739 41.8092 179.1441 29 E 4.1722 7.9169 120.5322 58.7820 29.4711 178.8792 30 R 3.8191 7.8720 118.8430 59.2807 30.1185 178.9000 31 V 3.6186 7.5291 119.0863 64.7761 31.2978 178.4909 32 F 4.2862 7.7542 118.4237 59.8404 38.3695 177.7993 33 V 3.6442 7.3402 116.8401 65.7626 31.6534 178.0591 34 V 3.5238 7.5389 116.6672 64.4393 32.8195 175.5958 35 Y 3.8151 7.2706 115.8033 53.7482 38.0085 173.7231 36 P 4.4089 0.0000 0.0000 64.6113 31.7137 177.5511 37 W 4.4837 8.0729 114.4265 58.9033 27.8651 177.5775 38 T 4.2209 7.4806 110.0247 63.5252 68.6535 175.5022 39 T 4.1430 7.8030 112.5832 61.7588 68.8872 176.0032 40 R 3.8760 7.4835 123.1129 59.9338 29.9960 177.0105 41 L 4.4517 7.8497 113.5673 54.6635 41.8084 176.8372 42 F 4.9247 7.9937 118.7792 56.9260 39.7425 178.0043 43 S 4.2693 8.2857 117.6696 60.9131 63.0505 176.1096 44 K 4.1525 8.0151 119.1314 59.0301 32.6426 177.8957 45 L 4.0941 8.1962 119.8996 55.7047 41.7032 177.4701 46 Q 3.1947 8.8592 116.3770 56.8396 26.5507 174.8257 47 G 3.2275 8.1410 104.4617 45.2081 0.0000 174.7585 48 L 4.0519 6.9690 120.0782 53.5397 40.3540 176.0312 49 F 5.1067 7.8261 120.3808 57.0708 39.8567 176.4577 50 S 4.5334 8.4481 118.1444 57.9597 63.2764 175.0899 51 A 3.9455 8.8912 126.9060 55.4540 18.1006 178.6663 52 N 4.6758 7.9576 109.8193 53.8386 39.3744 175.6828 53 D 4.5077 8.1904 120.8351 53.6247 42.5133 176.4648 54 I 3.7551 8.6256 124.3194 64.6128 38.0078 178.2280 55 G 3.6626 8.0884 105.6421 47.8390 0.0000 175.6993 56 V 3.7716 7.8004 120.1864 65.8365 31.6652 177.9587 57 Q 4.0255 8.3663 117.9855 59.1199 28.4898 178.9087 58 Q 4.0617 8.3739 119.1492 59.2924 28.7940 178.3130 59 H 4.4455 8.4232 118.8305 59.1027 29.8640 177.1575 60 A 4.0919 8.4345 123.0086 55.1201 17.6405 179.1121 61 D 4.3287 8.0846 116.3274 57.2974 40.8847 178.7317 62 K 4.0326 7.6963 117.7360 59.4343 32.1447 179.5734 63 V 3.6812 7.9190 118.7639 66.0418 31.5175 178.0470 64 Q 4.4449 8.5338 117.6121 59.4745 28.5078 178.8141 65 R 4.0562 7.9647 119.0268 59.1226 30.2661 178.8746 66 A 4.0634 7.8318 120.1329 55.1358 18.3124 179.6759 67 L 4.0378 8.2905 117.7359 57.8160 41.6371 179.9742 68 G 3.6067 8.3678 105.7391 47.8908 0.0000 175.6698 69 E 4.0762 7.9878 119.4066 58.8723 29.5847 179.1145 70 A 3.8679 7.8646 120.7278 55.2266 18.2763 179.8505 71 I 3.4840 7.4666 116.9760 64.3357 37.0940 178.1872 72 D 4.6290 7.9400 119.0727 56.1416 41.8582 176.6286 73 D 4.6824 7.6109 118.8093 52.7826 42.1057 175.2464 74 L 4.1078 7.9228 122.1864 56.2914 42.1749 178.3701 75 K 4.2494 7.4740 116.4102 57.2025 32.5652 177.3387 76 K 4.5827 7.5819 118.8758 55.5090 33.3921 178.5872 77 V 3.1574 7.9427 120.4259 66.0892 31.0718 176.8797 78 E 3.8577 7.8514 117.0814 59.2693 29.6009 178.3878 79 I 3.8769 7.5824 119.3329 64.5611 37.1042 178.0601 80 N 4.6219 8.2705 115.7954 55.3093 38.6039 176.4429 81 F 4.8392 8.0687 117.8117 57.2692 39.3502 177.3322 82 Q 4.0675 7.7440 118.8251 59.4347 28.5984 178.8266 83 N 4.3786 8.1128 116.7364 56.1809 38.7742 177.1749 84 L 3.9340 7.8054 121.3601 57.8703 42.1120 178.8853 85 S 4.3782 8.6147 113.9072 61.4334 62.4526 176.3598 86 G 3.5619 8.1065 108.4996 47.5919 0.0000 175.5024 87 K 3.9153 8.1889 121.9059 59.7080 32.2254 178.6637 88 H 4.1476 8.2746 116.3015 58.8264 28.3991 177.6108 89 Q 3.5281 7.3884 120.2921 58.8851 28.8022 177.7106 90 E 4.0414 7.7255 118.6416 59.5635 29.5855 179.1315 91 I 3.8728 7.6492 118.9187 63.1411 37.1058 177.2412 92 G 4.1361 7.8094 107.1751 45.3301 0.0000 173.4972 93 V 3.7591 7.6678 119.0161 62.0760 32.4800 175.0489 94 D 4.5550 8.5352 126.9240 53.6402 42.0805 177.0959 95 T 3.2595 8.2687 116.6838 64.3234 69.3047 176.0627 96 Q 3.9381 8.4571 123.2800 59.0673 28.9265 177.7418 97 N 4.2894 7.8818 117.3974 56.2655 38.3864 177.2281 98 F 4.5263 7.4862 118.8046 60.6249 38.8986 177.8297 99 K 4.0776 8.1000 117.7889 59.3358 31.8733 179.4853 100 L 3.7524 7.7321 118.9661 57.5186 41.4572 179.0964 101 L 4.0642 8.0313 120.5341 57.9017 41.9905 179.1799 102 G 3.1830 7.8928 105.5834 47.6414 0.0000 175.4636 103 Q 4.0928 7.9437 121.8842 59.2195 29.1280 178.4445 104 T 3.9384 7.9603 110.7190 64.5074 68.7934 176.5105 105 F 3.7625 8.3031 123.9078 61.3612 39.3371 177.0835 106 M 4.2829 8.1770 118.4193 58.2488 31.7212 178.9657 107 V 3.6203 7.6499 118.8586 65.9914 31.7428 178.0061 108 E 3.9115 8.1590 118.4314 59.2825 29.1463 179.3359 109 L 4.0004 8.1890 119.0573 57.5832 41.5753 179.3688 110 A 3.6967 7.6072 120.7720 55.0727 18.0939 179.7426 111 L 4.0117 7.7889 116.5292 57.7104 41.6734 179.0046 112 H 4.1895 7.7355 117.6508 59.2633 29.8068 176.4074 113 Y 4.3680 8.3321 117.9238 56.6330 38.4164 177.5691 114 K 3.9010 9.0629 118.7176 57.1884 31.9051 179.5887 115 K 4.1437 9.0946 128.4747 60.2576 31.7230 177.4793 116 T 4.1872 7.8000 106.9051 62.7532 69.5788 175.2258 117 F 4.6556 7.9799 127.3039 57.3157 37.9049 175.0083 118 R 4.2253 7.7112 124.1925 54.5767 32.5948 175.2885 119 P 4.0975 0.0000 0.0000 66.0818 31.1327 179.1163 120 K 3.8293 7.7730 116.3671 59.3608 31.9950 179.0904 121 E 2.9481 7.6242 118.2382 59.2660 29.3004 178.5827 122 H 3.5530 7.5548 117.9303 59.1573 29.8347 177.0854 123 A 3.9799 8.0046 122.2544 54.9850 18.1498 179.4885 124 A 3.9616 7.9116 119.0900 55.2927 18.5039 179.7551 125 A 4.2482 8.4348 119.4759 55.4984 18.6606 179.1010 126 Y 4.2804 8.6651 118.4857 60.9658 38.8901 178.3728 127 K 3.8128 8.3824 120.4508 59.2752 32.2939 178.4117 128 F 4.0455 8.2240 120.9027 61.5094 39.3706 177.2691 129 F 3.7667 8.1185 116.7803 59.9442 38.5289 177.9814 130 R 3.7901 7.5368 118.1127 58.7716 29.7310 178.5803 131 L 3.7456 7.7296 120.2342 57.9789 41.9888 179.2179 132 V 3.1565 7.2400 117.8488 65.7666 31.4235 177.8198 133 A 3.8090 7.7621 120.4862 55.0732 18.1334 179.2251 134 E 3.8052 8.2612 117.6752 59.3411 29.4936 178.9136 135 A 3.9525 7.8466 119.9290 55.1870 18.5223 179.4217 136 L 4.0264 7.9186 116.3162 57.1254 41.3652 178.9042 137 S 4.3653 7.7176 113.8461 59.2352 63.0552 176.3094 138 S 4.2348 7.7797 116.8319 60.8021 62.6206 174.1955 139 N 4.7719 8.2729 119.3689 53.4684 38.9108 173.5613 140 Y 4.5504 7.5966 114.1188 56.5935 39.0080 175.6647 141 H 4.6280 8.9751 121.2912 56.0448 29.5686 173.3330 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 V 8.04 4.07 1.99 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 0.97 0.00 0.00 0.91 0.00 0.00 2 K 8.36 4.40 0.00 1.89 1.69 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.45 7.81 3 L 8.19 4.73 0.00 1.63 1.62 0.97 1.02 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 4 S 8.81 4.47 0.00 4.05 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 5 E 8.68 3.90 0.00 2.06 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 2.51 2.40 0.00 6 D 8.09 4.51 0.00 2.93 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 7 Q 7.64 4.08 0.00 2.45 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 8 E 8.27 3.90 0.00 2.03 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 2.26 2.52 0.00 9 H 8.20 4.25 0.00 3.44 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.00 4.03 0.00 3.08 3.15 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 11 I 7.69 3.29 1.56 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.57 0.00 0.00 12 K 7.77 4.03 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.48 7.81 13 G 7.96 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.47 3.77 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 1.34 0.00 0.00 0.33 0.00 0.00 15 W 8.02 4.40 0.00 3.32 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.70 4.19 0.00 1.93 1.87 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.74 7.81 17 D 7.86 4.52 0.00 2.84 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 V 7.06 3.78 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 0.57 0.00 0.00 0.98 0.00 0.00 19 D 8.18 4.28 0.00 2.56 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 20 H 8.40 3.63 0.00 3.00 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.00 4.01 0.00 1.83 1.78 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 22 Q 8.11 3.91 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 23 I 7.82 3.66 1.80 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 1.38 1.05 1.15 0.00 0.00 24 T 7.74 3.66 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 25 A 8.08 3.97 1.42 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 0.00 0.00 0.00 26 K 8.01 3.84 0.00 1.83 2.00 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.55 7.81 27 A 7.65 3.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.73 3.35 0.00 1.69 1.23 0.96 0.43 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 29 E 7.92 4.17 0.00 2.15 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 2.31 2.46 0.00 30 R 7.87 3.82 0.00 1.91 1.91 0.00 3.06 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 31 V 7.53 3.62 1.99 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 0.25 0.00 0.00 0.89 0.00 0.00 32 F 7.75 4.29 0.00 2.98 2.32 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 33 V 7.34 3.64 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 0.76 0.00 0.00 1.01 0.00 0.00 34 V 7.54 3.52 1.56 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 -0.11 0.00 0.00 0.77 0.00 0.00 35 Y 7.27 3.82 0.00 2.54 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 36 P 0.00 4.41 0.00 2.28 2.16 0.00 3.76 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 2.16 2.12 0.00 37 W 8.07 4.48 0.00 3.58 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 4.22 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 0.95 0.00 0.00 39 T 7.80 4.14 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 0.36 0.00 0.00 40 R 7.48 3.88 0.00 2.02 2.10 0.00 3.28 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 41 L 7.85 4.45 0.00 1.31 1.38 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.99 4.92 0.00 2.98 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 43 S 8.29 4.27 0.00 4.02 4.15 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 44 K 8.02 4.15 0.00 1.92 2.01 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.57 7.81 45 L 8.20 4.09 0.00 1.98 1.91 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.86 3.19 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 47 G 8.14 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 0.00 0.00 0.00 48 L 6.97 4.05 0.00 1.71 1.66 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.83 5.11 0.00 3.11 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.45 4.53 0.00 4.07 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 51 A 8.89 3.95 1.25 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 52 N 7.96 4.68 0.00 2.72 2.86 0.00 0.00 6.93 8.06 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 53 D 8.19 4.51 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.63 3.76 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 1.59 1.25 0.92 0.00 0.00 55 G 8.09 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 0.00 0.00 0.00 56 V 7.80 3.77 2.38 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 1.21 0.00 0.00 1.17 0.00 0.00 57 Q 8.37 4.03 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 58 Q 8.37 4.06 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 59 H 8.42 4.45 0.00 3.49 3.44 0.00 5.79 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 A 8.43 4.09 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 61 D 8.08 4.33 0.00 2.99 2.83 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 62 K 7.70 4.03 0.00 2.05 1.86 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.71 7.81 63 V 7.92 3.68 2.20 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 1.24 0.00 0.00 0.98 0.00 0.00 64 Q 8.53 4.44 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.78 0.00 65 R 7.96 4.06 0.00 2.14 2.09 0.00 3.18 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 1.74 1.95 0.00 66 A 7.83 4.06 1.26 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 0.00 0.00 67 L 8.29 4.04 0.00 1.83 1.11 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.37 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.99 4.08 0.00 2.36 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 0.00 2.41 2.58 0.00 70 A 7.86 3.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.47 3.48 1.41 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.26 0.64 0.00 0.00 72 D 7.94 4.63 0.00 2.65 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 73 D 7.61 4.68 0.00 2.54 2.42 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 0.00 74 L 7.92 4.11 0.00 1.60 1.65 0.78 1.03 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 75 K 7.47 4.25 0.00 1.82 1.81 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.35 7.81 76 K 7.58 4.58 0.00 1.82 1.70 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.29 7.81 77 V 7.94 3.16 1.77 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 0.17 0.00 0.00 0.79 0.00 0.00 78 E 7.85 3.86 0.00 1.91 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 2.28 2.38 0.00 79 I 7.58 3.88 1.99 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 1.63 0.96 0.92 0.00 0.00 80 N 8.27 4.62 0.00 2.73 3.01 0.00 0.00 7.03 7.15 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 81 F 8.07 4.84 0.00 3.07 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 82 Q 7.74 4.07 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 83 N 8.11 4.38 0.00 2.76 2.86 0.00 0.00 6.72 6.74 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 84 L 7.81 3.93 0.00 1.50 1.51 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.61 4.38 0.00 4.16 4.14 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 86 G 8.11 3.56 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 87 K 8.19 3.92 0.00 1.97 2.01 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.46 7.81 88 H 8.27 4.15 0.00 3.79 3.81 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 7.39 3.53 0.00 0.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 90 E 7.73 4.04 0.00 2.16 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 2.29 2.44 0.00 91 I 7.65 3.87 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.83 0.00 0.00 92 G 7.81 4.14 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 0.00 93 V 7.67 3.76 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 0.62 0.00 0.00 1.05 0.00 0.00 94 D 8.54 4.55 0.00 2.72 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 3.26 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 96 Q 8.46 3.94 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 97 N 7.88 4.29 0.00 2.73 2.79 0.00 0.00 6.94 7.88 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 98 F 7.49 4.53 0.00 3.18 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 99 K 8.10 4.08 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 100 L 7.73 3.75 0.00 1.59 1.08 0.74 -0.23 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 0.00 101 L 8.03 4.06 0.00 1.82 1.90 0.89 1.21 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 0.00 102 G 7.89 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 0.00 0.00 0.00 103 Q 7.94 4.09 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 104 T 7.96 3.94 4.15 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 1.29 0.00 0.00 105 F 8.30 3.76 0.00 2.77 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 0.00 106 M 8.18 4.28 0.00 2.43 2.42 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 3.01 0.00 107 V 7.65 3.62 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 1.01 0.00 0.00 1.04 0.00 0.00 108 E 8.16 3.91 0.00 2.03 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 2.33 2.29 0.00 109 L 8.19 4.00 0.00 1.48 1.41 1.37 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.61 3.70 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 0.00 111 L 7.79 4.01 0.00 1.74 1.70 0.87 0.95 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 0.00 112 H 7.74 4.19 0.00 2.96 3.20 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.33 4.37 0.00 3.23 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 9.06 3.90 0.00 1.95 0.94 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.54 7.81 115 K 9.09 4.14 0.00 1.80 1.93 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.41 7.81 116 T 7.80 4.19 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 1.30 0.00 0.00 117 F 7.98 4.66 0.00 3.08 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 0.00 118 R 7.71 4.23 0.00 1.94 1.78 0.00 3.18 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 119 P 0.00 4.10 0.00 2.07 2.04 0.00 3.53 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 2.07 2.15 0.00 120 K 7.77 3.83 0.00 1.59 1.69 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.39 7.81 121 E 7.62 2.95 0.00 1.75 1.57 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 2.40 1.76 0.00 122 H 7.55 3.55 0.00 2.48 3.17 0.00 5.59 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 0.00 123 A 8.00 3.98 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 0.00 124 A 7.91 3.96 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 0.00 125 A 8.43 4.25 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 0.00 0.00 0.00 0.00 0.00 126 Y 8.67 4.28 0.00 3.22 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 0.00 127 K 8.38 3.81 0.00 2.17 1.83 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.48 7.81 128 F 8.22 4.05 0.00 2.99 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 0.00 129 F 8.12 3.77 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.54 3.79 0.00 1.79 1.76 0.00 2.93 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 1.11 1.09 0.00 131 L 7.73 3.75 0.00 1.70 1.47 0.79 0.56 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 0.00 132 V 7.24 3.16 1.74 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 0.86 0.00 0.00 -0.13 0.00 0.00 133 A 7.76 3.81 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 0.00 134 E 8.26 3.81 0.00 2.02 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 0.00 2.24 2.28 0.00 135 A 7.85 3.95 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 0.00 136 L 7.92 4.03 0.00 1.08 0.81 -0.01 0.67 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 0.00 137 S 7.72 4.37 0.00 3.82 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 0.00 138 S 7.78 4.23 0.00 4.02 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.27 4.77 0.00 2.75 2.95 0.00 0.00 7.21 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 Y 7.60 4.55 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 0.00 141 H 8.98 4.63 0.00 3.13 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00