NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.4097 8.1316 120.1681 54.0609 43.0777 176.5595 5 V 3.7677 7.9890 117.9206 62.9154 30.3129 174.6462 6 D 4.6237 8.4145 122.5763 54.6266 43.1660 177.9490 7 T 4.1088 8.3790 118.5489 66.5258 68.5872 177.5930 8 T 3.8004 7.8168 117.3761 66.8714 68.5711 176.1763 9 E 4.0642 8.2505 119.7994 59.6432 29.6069 179.0117 10 M 4.1640 7.9629 118.4410 58.8161 32.3305 178.0007 11 Y 3.8570 8.7408 117.3989 60.9926 38.1047 178.3105 12 L 4.1136 8.5126 120.6307 57.8685 41.7266 179.8599 13 R 4.0284 8.2621 116.0335 59.5200 29.3733 179.0821 14 T 3.8908 7.7929 116.1738 66.4536 68.3756 176.8394 15 I 3.7724 7.9438 121.9332 64.2243 37.1179 177.7558 16 Y 3.8849 8.1306 120.4789 60.6321 38.7050 177.5290 17 E 3.9739 8.4777 120.2060 59.5287 29.6378 178.6194 18 L 3.9412 7.9520 118.6023 58.0171 41.6705 179.4137 19 E 3.9925 8.2065 118.2427 59.5465 29.2116 179.1733 20 E 3.8750 8.2921 117.9921 58.5827 29.7252 177.7380 21 E 4.3762 7.8907 116.5759 56.1300 29.9549 177.0690 22 G 3.8426 8.1074 107.6111 45.3348 0.0000 173.3403 23 V 4.1760 7.5727 119.0365 61.7486 32.9118 175.6605 24 T 4.1499 8.2944 123.3054 62.4609 69.3654 174.1905 25 P 4.6003 0.0000 0.0000 62.9065 29.5988 174.5106 26 L 4.8195 7.8980 122.9957 52.8435 43.8124 178.0965 27 R 3.8935 7.9619 120.3740 59.6032 29.9432 179.3961 28 A 4.0185 7.9383 119.9033 54.9049 18.3641 179.7086 29 R 3.9383 8.1783 117.1735 59.1962 30.1355 179.2503 30 I 3.5714 7.6443 119.0567 64.1228 37.1331 177.7074 31 A 3.9634 8.0657 121.7505 55.5265 17.9731 179.2556 32 E 3.8287 7.9386 116.1363 59.4596 29.7856 178.8208 33 R 3.9982 8.1001 118.0967 58.8226 30.4952 177.6177 34 L 4.2125 8.3508 117.3382 54.3124 41.8391 178.6251 35 E 4.0306 8.2685 117.7672 56.9118 29.2609 175.1447 36 Q 4.1946 7.5807 117.0060 55.5288 29.4323 176.9901 37 S 4.5169 8.4508 115.4863 57.8313 65.2559 175.4699 38 G 3.7267 8.6330 109.4092 47.7685 0.0000 174.1285 39 P 4.2740 0.0000 0.0000 65.4944 31.3519 178.7227 40 T 3.8960 7.9445 114.0737 66.6771 68.3352 176.6178 41 V 3.8705 8.1338 120.1471 66.2168 31.6400 178.1297 42 S 4.1214 8.2642 114.9807 61.6731 62.7195 176.5259 43 Q 3.9473 8.5987 122.3805 59.5790 28.7431 178.5911 44 T 3.7111 8.1510 117.0237 66.5768 68.3847 177.0323 45 V 3.5595 8.5399 120.3470 65.7856 31.4322 177.9631 46 A 4.3488 8.0180 121.9850 54.6212 18.3069 179.5475 47 R 3.7952 7.7542 116.7382 59.9089 30.1527 178.6119 48 M 4.0657 8.2829 118.7306 58.3092 31.7525 178.6574 49 E 4.7014 8.2975 120.1743 59.2375 29.5071 179.6912 50 R 3.9641 7.7753 116.4282 58.8900 30.1626 178.0233 51 D 4.6410 7.8580 116.5429 53.7912 41.3595 176.2906 52 G 3.8198 8.3628 107.8269 46.8941 0.0000 174.4347 53 L 4.7308 8.3239 120.7958 54.9662 44.0705 177.1423 54 V 5.0430 7.4468 116.8999 60.5447 34.8870 173.2923 55 V 4.6735 8.8003 120.7050 60.0119 35.0478 174.8416 56 V 4.4943 8.5446 123.1275 61.3887 31.8780 175.3789 57 A 4.2380 9.3468 132.4227 51.6681 18.5760 177.6226 58 S 3.9143 8.0565 112.0057 62.5823 63.0180 176.2585 59 D 4.5197 8.1522 120.3709 53.0726 39.4101 177.3061 60 R 4.5058 8.2570 116.2630 57.8863 27.6846 178.6907 61 S 4.9890 7.3482 112.1893 58.1450 65.5750 172.7994 62 L 5.0222 8.8983 122.0874 53.6845 42.7414 175.9523 63 Q 4.6487 8.8415 123.7061 54.4018 31.0376 174.8228 64 M 4.8064 8.6174 124.1792 54.6736 33.1829 176.4302 65 T 4.1363 8.5062 113.6164 60.8749 70.3681 173.4970 66 P 4.2530 0.0000 0.0000 65.7528 31.2604 179.2805 67 T 3.9417 7.9078 114.4221 66.6828 68.5112 176.7204 68 G 4.1185 8.1060 108.9280 47.4017 0.0000 175.5999 69 R 4.0875 8.4011 121.0434 59.3302 30.0911 178.7580 70 T 3.9121 7.9416 115.8225 66.3175 68.4103 176.4745 71 L 3.9041 7.9364 121.7389 58.0789 42.2201 178.4788 72 A 3.9960 8.3099 121.1879 55.7887 18.1880 179.8212 73 T 3.3085 7.9499 113.6235 66.4871 68.5275 176.7326 74 A 3.9432 7.9673 122.6828 55.1776 18.3208 179.8409 75 V 3.4872 7.8176 116.5739 66.5072 31.5504 178.1943 76 M 3.9350 7.7357 118.3896 58.1484 31.6087 178.7455 77 R 3.8497 8.1948 119.2552 59.4859 30.2536 178.8211 78 K 4.1142 8.1778 118.3040 59.4879 31.9531 178.7284 79 H 4.0906 8.4160 118.7031 59.6412 29.8504 177.6635 80 R 3.9640 8.4179 120.0487 59.0986 29.8583 179.1664 81 L 4.0126 8.4517 119.2535 57.4754 41.5131 179.3048 82 A 4.0363 8.4100 121.1939 55.3555 18.4444 179.4253 83 E 3.7261 8.1816 117.0912 59.6702 29.4855 179.9906 84 R 3.8330 7.7793 117.5958 58.8836 30.0386 178.7642 85 L 3.9069 7.8286 120.1189 58.3054 42.0850 179.0305 86 L 3.8356 7.9865 119.0565 57.7131 41.2293 179.3095 87 T 3.9311 7.6116 111.6952 64.7525 67.6635 176.2455 88 D 4.4503 8.3293 119.8787 56.7462 40.9550 177.0285 89 I 4.2470 7.5818 117.6709 63.1804 38.5740 177.3672 90 I 3.7702 7.7079 119.8031 62.6338 37.1120 176.8115 91 G 3.7874 8.0797 106.6856 46.2695 0.0000 173.4478 92 L 4.0652 7.9267 120.9367 53.9338 42.9810 176.0643 93 D 4.3510 8.5994 123.1972 54.4434 41.3487 176.9991 94 I 3.8258 8.6635 126.4060 64.4641 37.9459 176.6098 95 N 4.7230 8.3015 114.6204 54.2200 38.4219 175.3633 96 K 4.5582 8.4903 117.0648 55.3327 34.4828 178.2326 97 V 3.4795 7.7416 118.9589 66.2288 31.1008 177.3134 98 H 4.8367 8.1004 117.2845 59.1601 29.9546 176.4633 99 D 4.4255 8.0019 118.7168 57.2028 40.9437 178.1125 100 E 4.0223 7.9119 119.6209 58.8036 30.0732 180.0859 101 A 4.1924 7.7454 123.1394 51.4499 17.6307 179.5242 *103 R 4.3861 7.9013 122.6673 57.2673 32.6183 178.7575 104 W 4.3239 8.6280 117.8025 59.5712 29.1715 178.1946 105 E 4.0287 8.3591 115.8153 59.2467 29.1347 177.7879 106 H 4.7445 8.2373 115.6701 56.9257 29.2689 176.9796 107 V 4.2736 7.6223 110.9323 61.5708 33.2873 176.1435 108 M 4.1024 8.0055 119.5421 55.3906 32.9509 176.1216 109 S 4.7089 8.2541 120.2466 57.2282 66.6965 175.0754 110 D 4.7044 8.3308 122.9204 56.8344 40.5121 178.9145 111 E 4.0158 8.0910 119.1089 59.2072 29.5291 179.2063 112 V 3.6059 7.6459 118.2965 65.8774 31.0921 177.9129 113 E 3.9758 8.0745 117.9124 59.6015 29.4426 179.5487 114 R 3.9628 7.8597 117.5102 59.3075 30.0125 179.3783 115 R 3.9374 7.9765 117.7772 59.2571 30.1027 179.1363 116 L 3.9862 8.3768 119.2159 57.8156 41.4029 179.6361 117 V 3.7049 8.0953 117.5001 65.9998 31.4326 177.9440 118 K 4.1535 7.7126 117.2082 59.3156 32.0953 179.3705 119 V 3.8542 7.9021 111.6829 62.4545 31.9585 176.8410 120 L 4.3751 7.7979 120.6985 54.4156 42.5548 177.8333 121 K 4.1294 8.5239 122.8758 56.9670 32.0454 178.0173 122 D 4.6560 7.7970 118.1270 53.0577 43.2916 174.8122 123 V 4.4177 8.2715 119.7825 61.3752 32.4670 177.4982 124 S 4.2761 8.6528 119.3811 61.1366 62.7700 174.6044 125 R 5.1024 7.4680 115.7915 54.0763 34.1229 174.6512 126 S 4.5138 8.8278 114.8568 56.7096 64.1740 173.6332 127 P 4.1091 0.0000 0.0000 64.7426 30.9101 177.2637 128 F 4.8263 7.5685 115.9963 57.2119 39.0447 176.7313 129 G 3.9398 7.9275 107.3762 45.9976 0.0000 174.0865 130 N 4.8594 7.6993 118.2327 50.9840 39.9085 172.7198 131 P 4.8910 0.0000 0.0000 62.8739 32.3990 175.9744 132 I 4.1585 8.5881 125.3710 60.4200 37.6390 174.2749 133 P 4.4915 0.0000 0.0000 62.3527 33.1263 177.0219 134 G 4.4707 8.9105 105.9056 46.0448 0.0000 175.4608 135 L 4.0285 7.5501 120.2446 57.8302 41.4666 179.0927 136 D 4.3702 8.1165 118.3745 57.4543 40.8959 178.6559 137 E 3.9953 7.8767 116.2378 58.8351 29.2919 178.5517 138 L 4.1520 7.6203 120.7037 55.9941 42.1355 177.2017 139 G 3.9332 9.1957 106.4192 45.6717 0.0000 173.8204 140 V 4.0150 7.4886 117.9478 61.3884 32.6917 174.8746 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 4 L 8.13 4.41 0.00 1.68 1.53 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.99 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 0.84 0.00 0.00 0.94 0.00 0.00 6 D 8.41 4.62 0.00 2.79 2.65 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 7 T 8.38 4.11 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 1.24 0.00 0.00 8 T 7.82 3.80 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 1.22 0.00 0.00 9 E 8.25 4.06 0.00 2.33 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 2.44 2.42 0.00 10 M 7.96 4.16 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 11 Y 8.74 3.86 0.00 3.22 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 12 L 8.51 4.11 0.00 1.72 1.78 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.26 4.03 0.00 2.04 2.21 0.00 2.81 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 14 T 7.79 3.89 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 1.12 0.00 0.00 15 I 7.94 3.77 2.09 0.00 0.00 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 1.43 0.78 0.94 0.00 0.00 16 Y 8.13 3.88 0.00 3.19 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 17 E 8.48 3.97 0.00 2.34 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 2.32 2.41 0.00 18 L 7.95 3.94 0.00 1.86 1.69 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.21 3.99 0.00 2.01 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 2.27 2.47 0.00 20 E 8.29 3.88 0.00 1.96 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 0.00 2.34 2.33 0.00 21 E 7.89 4.38 0.00 2.11 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 2.28 2.55 0.00 22 G 8.11 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 0.00 0.00 0.00 23 V 7.57 4.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.00 0.00 0.00 24 T 8.29 4.15 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 1.20 0.00 0.00 25 P 0.00 4.60 0.00 2.24 2.01 0.00 3.57 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 26 L 7.90 4.82 0.00 1.69 1.56 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.96 3.89 0.00 1.91 2.03 0.00 3.15 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 28 A 7.94 4.02 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 29 R 8.18 3.94 0.00 1.97 1.96 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 30 I 7.64 3.57 1.94 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 1.49 0.69 0.50 0.00 0.00 31 A 8.07 3.96 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 32 E 7.94 3.83 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 33 R 8.10 4.00 0.00 1.88 1.99 0.00 3.32 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 34 L 8.35 4.21 0.00 1.60 1.59 0.06 0.77 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 35 E 8.27 4.03 0.00 2.11 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 0.00 2.22 2.30 0.00 36 Q 7.58 4.19 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 37 S 8.45 4.52 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.63 3.73 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 0.00 0.00 0.00 39 P 0.00 4.27 0.00 2.18 2.12 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 40 T 7.94 3.90 4.48 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 1.28 0.00 0.00 41 V 8.13 3.87 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 1.21 0.00 0.00 1.01 0.00 0.00 42 S 8.26 4.12 0.00 4.07 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 43 Q 8.60 3.95 0.00 2.12 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 44 T 8.15 3.71 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 0.30 0.00 0.00 45 V 8.54 3.56 2.18 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 1.12 0.00 0.00 1.11 0.00 0.00 46 A 8.02 4.35 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 47 R 7.75 3.80 0.00 1.84 2.04 0.00 3.06 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 48 M 8.28 4.07 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 49 E 8.30 4.70 0.00 2.19 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 2.51 2.51 0.00 50 R 7.78 3.96 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 51 D 7.86 4.64 0.00 2.78 2.70 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 52 G 8.36 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 53 L 8.32 4.73 0.00 1.67 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.45 5.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.02 0.00 0.00 55 V 8.80 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 0.76 0.00 0.00 0.94 0.00 0.00 56 V 8.54 4.49 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 0.85 0.00 0.00 0.98 0.00 0.00 57 A 9.35 4.24 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 58 S 8.06 3.91 0.00 3.99 3.95 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 59 D 8.15 4.52 0.00 2.85 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 60 R 8.26 4.51 0.00 1.86 1.98 0.00 3.25 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 61 S 7.35 4.99 0.00 3.73 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 62 L 8.90 5.02 0.00 1.52 1.68 0.99 0.95 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 63 Q 8.84 4.65 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 64 M 8.62 4.81 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 65 T 8.51 4.14 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 1.24 0.00 0.00 66 P 0.00 4.25 0.00 2.19 2.16 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 67 T 7.91 3.94 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 68 G 8.11 4.12 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 0.00 69 R 8.40 4.09 0.00 2.00 2.11 0.00 3.14 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 70 T 7.94 3.91 4.41 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 1.22 0.00 0.00 71 L 7.94 3.90 0.00 1.81 1.83 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.31 4.00 1.51 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 0.00 0.00 0.00 73 T 7.95 3.31 4.40 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 1.20 0.00 0.00 74 A 7.97 3.94 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 75 V 7.82 3.49 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 1.02 0.00 0.00 0.96 0.00 0.00 76 M 7.74 3.94 0.00 1.81 1.66 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.34 0.00 77 R 8.19 3.85 0.00 2.03 2.12 0.00 3.09 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 78 K 8.18 4.11 0.00 2.00 1.88 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.70 7.81 79 H 8.42 4.09 0.00 3.45 3.46 0.00 5.78 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 80 R 8.42 3.96 0.00 1.89 1.98 0.00 3.22 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.00 0.00 81 L 8.45 4.01 0.00 1.94 1.74 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.41 4.04 1.48 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 0.00 0.00 83 E 8.18 3.73 0.00 2.08 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 2.44 0.00 84 R 7.78 3.83 0.00 1.96 1.93 0.00 3.51 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 85 L 7.83 3.91 0.00 1.82 1.92 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.99 3.84 0.00 1.68 1.51 0.31 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.61 3.93 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 1.17 0.00 0.00 88 D 8.33 4.45 0.00 2.73 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 89 I 7.58 4.25 2.00 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 1.30 0.55 0.93 0.00 0.00 90 I 7.71 3.77 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.52 0.94 0.00 0.00 91 G 8.08 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 92 L 7.93 4.07 0.00 1.52 1.62 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.60 4.35 0.00 2.79 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.66 3.83 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.21 0.94 0.00 0.00 95 N 8.30 4.72 0.00 3.02 2.86 0.00 0.00 6.81 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.49 4.56 0.00 1.80 1.75 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.33 7.81 97 V 7.74 3.48 2.24 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 0.93 0.00 0.00 0.93 0.00 0.00 98 H 8.10 4.84 0.00 2.95 3.21 0.00 5.81 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 99 D 8.00 4.43 0.00 2.67 2.71 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 0.00 0.00 0.00 100 E 7.91 4.02 0.00 1.96 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 1.58 1.52 0.00 101 A 7.75 4.19 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 *103 R 7.90 4.39 0.00 2.44 2.29 0.00 3.33 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 104 W 8.63 4.32 0.00 3.33 3.29 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 0.00 105 E 8.36 4.03 0.00 2.23 2.27 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 2.27 1.96 0.00 106 H 8.24 4.74 0.00 3.44 3.51 0.00 5.57 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 0.00 107 V 7.62 4.27 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 0.66 0.00 0.00 0.82 0.00 0.00 108 M 8.01 4.10 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 109 S 8.25 4.71 0.00 4.16 3.95 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 0.00 110 D 8.33 4.70 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 0.00 111 E 8.09 4.02 0.00 2.05 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 0.00 2.39 2.42 0.00 112 V 7.65 3.61 2.23 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 1.08 0.00 0.00 0.92 0.00 0.00 113 E 8.07 3.98 0.00 2.24 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 0.00 2.35 2.63 0.00 114 R 7.86 3.96 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 115 R 7.98 3.94 0.00 2.07 1.98 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 116 L 8.38 3.99 0.00 1.83 1.73 1.03 0.78 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 0.00 117 V 8.10 3.70 2.25 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 0.83 0.00 0.00 1.01 0.00 0.00 118 K 7.71 4.15 0.00 2.00 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.67 7.81 119 V 7.90 3.85 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 0.82 0.00 0.00 1.04 0.00 0.00 120 L 7.80 4.38 0.00 1.61 1.58 0.94 0.87 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 0.00 121 K 8.52 4.13 0.00 1.78 1.72 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 0.99 7.81 122 D 7.80 4.66 0.00 2.55 2.51 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 0.00 123 V 8.27 4.42 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 0.80 0.00 0.00 0.93 0.00 0.00 124 S 8.65 4.28 0.00 3.98 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 0.00 125 R 7.47 5.10 0.00 1.72 1.78 0.00 3.20 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 126 S 8.83 4.51 0.00 4.13 4.05 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 0.00 0.00 0.00 127 P 0.00 4.11 0.00 0.89 1.72 0.00 3.28 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 128 F 7.57 4.83 0.00 3.09 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 G 7.93 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 0.00 0.00 0.00 130 N 7.70 4.86 0.00 2.86 2.82 0.00 0.00 6.74 7.92 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 0.00 131 P 0.00 4.89 0.00 2.11 2.08 0.00 3.82 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 2.05 2.04 0.00 132 I 8.59 4.16 2.05 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 1.30 0.47 0.92 0.00 0.00 133 P 0.00 4.49 0.00 2.15 2.31 0.00 3.82 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.82 0.00 134 G 8.91 4.47 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 0.00 135 L 7.55 4.03 0.00 1.79 1.91 0.96 1.03 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 0.00 136 D 8.12 4.37 0.00 2.77 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 0.00 137 E 7.88 4.00 0.00 2.21 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 0.00 2.47 2.47 0.00 138 L 7.62 4.15 0.00 1.80 1.98 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 G 9.20 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 0.00 0.00 0.00 140 V 7.49 4.01 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 0.69 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.