NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3861 8.2929 115.2885 58.0736 63.6965 175.2819 5 S 3.8659 8.4408 125.6024 62.4078 62.2525 175.3228 6 S 4.3382 8.6907 116.7039 61.4125 62.6254 176.0235 7 T 3.9554 7.8346 118.3148 66.2063 68.2235 176.3931 8 K 4.0216 7.5921 121.4742 58.9217 32.1506 178.9633 9 K 3.9313 7.7118 120.4026 59.7626 32.1710 178.9274 10 T 3.8689 7.9108 116.0877 66.5340 68.3229 176.4283 11 Q 3.8851 7.9394 120.9185 59.3154 29.2145 178.2976 12 L 4.0288 7.8926 120.0095 57.9221 41.6209 179.5987 13 Q 4.0652 8.1198 118.0470 58.9500 28.6128 178.8215 14 L 4.0964 8.0020 120.0880 57.6922 41.7537 179.3652 15 E 4.0250 8.3190 118.8076 59.5071 29.3608 178.8157 16 H 4.2894 8.4103 118.4992 58.9223 29.9120 177.1400 17 L 3.8922 7.9588 122.3278 58.0086 41.9542 178.5551 18 L 3.9817 7.9417 120.3304 58.3220 41.9858 179.0634 19 L 4.0177 7.8414 118.3965 57.8139 41.5777 179.2046 20 D 4.3358 8.0732 118.9553 57.3208 40.7533 178.8533 21 L 4.0330 7.9596 119.5931 57.8264 41.6310 179.5597 22 Q 4.0169 8.1232 118.1665 58.9380 28.4454 178.4736 23 M 4.0166 8.1402 119.4027 58.5322 32.2405 178.3127 24 I 3.6598 7.6406 119.9289 64.3339 37.2572 178.1601 25 L 3.8805 7.7984 121.0449 58.0984 41.6816 178.3207 26 N 4.2914 8.0429 116.0767 56.8468 38.9000 176.7932 27 G 3.5653 7.8085 106.9863 47.5616 0.0000 175.8916 28 I 2.6822 7.1723 121.7710 63.8966 36.8919 178.1257 29 N 4.5149 8.2298 118.5391 55.8371 38.3754 176.6814 30 N 4.7910 7.0974 117.5531 53.3673 38.5299 179.9762 31 Y 4.8418 7.1383 118.4475 58.5020 38.7186 176.8950 32 K 4.2314 8.5667 123.1393 56.7299 34.8826 177.6533 33 N 4.2890 8.8206 118.5638 56.5959 38.0834 175.9401 34 P 4.3019 0.0000 0.0000 65.2145 31.2886 178.6914 35 K 3.9271 7.9259 118.2831 59.2600 31.7033 178.5394 36 L 4.1304 8.3508 121.0784 58.3896 41.7722 179.0177 37 T 3.9363 7.6151 114.4533 66.8906 68.2049 176.5565 38 R 4.0914 7.7263 118.6981 59.1343 29.5738 178.2575 39 M 4.3638 7.9697 117.0247 57.0299 32.1933 177.0239 40 L 4.5281 7.4536 116.5166 55.8246 42.1255 177.2056 41 T 4.1531 7.4935 108.5841 62.5378 69.5583 174.7902 42 F 3.9626 7.8016 124.3008 57.8003 39.1766 174.2246 43 K 4.7307 7.8950 127.9184 55.3284 33.4675 176.2304 44 F 4.6950 9.3795 122.6830 55.7037 42.4639 174.1894 45 Y 4.9688 8.9750 119.9700 58.1083 38.6845 175.0269 46 M 5.1142 9.0005 122.3420 53.0503 35.4863 173.7862 47 P 4.6482 0.0000 0.0000 62.9623 32.3938 177.6687 48 K 4.2401 8.3979 123.4930 56.3807 32.1028 177.8502 49 K 4.6394 7.6796 116.5587 54.6444 35.5906 176.8849 50 A 4.8130 8.2839 125.4230 50.8753 19.2750 175.0963 51 T 4.6601 8.3489 108.7708 60.3990 71.4707 174.7361 52 E 4.8555 8.1502 120.5969 53.6689 33.6063 176.5836 53 L 4.3377 8.4143 120.2745 57.7584 41.6328 179.8340 54 K 4.0155 7.8424 118.0978 59.5939 32.6479 178.0504 55 H 4.7458 7.8960 116.0680 57.0239 28.7647 176.6478 56 L 3.8222 7.8345 121.1447 56.4596 41.3462 178.8495 57 Q 4.0673 7.8244 117.5592 59.0358 28.3667 177.9063 58 C 4.5278 8.0893 116.9509 59.5896 41.0813 175.6188 59 L 3.8210 7.2345 121.6429 57.7962 41.7931 177.9620 60 E 3.8836 7.9792 119.3419 59.7594 29.3030 178.9243 61 E 4.1860 8.1851 116.4283 58.5731 29.6701 178.1407 62 E 4.6975 8.1545 117.1975 56.4215 29.8278 177.7111 63 L 4.2205 7.9532 121.7768 57.3985 41.6679 179.5163 64 K 4.0101 8.0333 118.2429 59.0477 32.1272 177.3017 65 P 4.3540 0.0000 0.0000 65.6003 31.3308 178.3794 66 L 4.1810 7.9758 118.8513 58.1954 41.9619 178.6917 67 E 3.9833 8.6846 119.7958 58.9497 29.4493 178.4821 68 E 3.9045 8.3311 119.4163 59.2193 29.4943 178.6498 69 A 3.5445 7.9473 121.2216 54.9951 18.0420 179.6535 70 L 4.0072 7.5887 116.2965 57.7299 41.7103 179.1211 71 N 4.4976 7.7770 115.7528 56.3152 38.5620 177.1945 72 L 4.2112 7.7642 118.7578 55.9150 42.9909 177.4912 73 A 4.5843 7.2961 124.3097 50.3372 18.4200 176.0416 74 Q 4.2677 7.4592 120.2843 53.1426 31.9051 175.6482 *81 R 4.2248 8.4216 114.7068 59.5047 31.7924 170.5598 82 P 4.4656 0.0000 0.0000 64.7897 30.9138 178.9183 83 R 3.9077 7.9542 117.0953 59.5067 29.9722 178.1860 84 D 4.4144 7.9901 118.2181 57.0088 41.1387 178.3380 85 L 3.9579 8.0606 120.9143 58.3321 42.0657 179.1903 86 I 3.8096 7.7799 119.6922 64.3594 36.8525 178.6314 87 S 4.1606 7.8281 115.1311 61.5245 62.0639 176.4954 88 N 4.3687 8.0446 119.0108 56.3567 38.2712 177.5745 89 I 3.7181 7.6962 121.0299 64.1578 37.0792 177.6950 90 N 4.1979 8.4478 118.4129 56.8353 38.7196 176.7712 91 V 3.5722 7.5025 119.1279 66.2184 31.5522 178.0209 92 I 3.7033 7.3843 118.3606 64.3290 36.6829 178.5286 93 V 3.5254 8.1152 119.4302 66.1804 31.2168 178.1441 94 L 4.1034 8.1870 118.8317 57.7759 41.1920 179.3538 95 E 4.0534 8.1514 117.8901 59.1795 29.4960 178.9798 96 L 4.1611 8.1190 118.8641 56.8905 41.7419 178.7156 97 K 4.3337 7.5867 116.0081 55.6834 33.4125 177.1577 98 G 3.9230 8.2336 112.7638 45.4510 0.0000 175.1025 *100 E 4.4042 9.0569 113.6031 55.5150 32.0397 178.0922 101 T 4.5760 7.0818 111.5318 63.3736 72.0843 174.0342 102 T 4.5521 7.4880 117.1633 62.7605 72.9533 173.0328 103 F 4.9257 8.7389 128.2914 56.3691 41.8972 174.0220 104 M 3.9963 7.8270 127.5711 54.7131 32.4968 175.8889 105 C 4.3669 8.3341 124.3608 55.3925 42.3070 172.2883 106 E 4.4481 8.4305 125.8854 55.3990 30.5944 174.7373 107 Y 5.0876 8.4171 122.2261 56.2964 39.7051 175.7458 108 A 4.3316 8.5677 125.6979 52.0359 19.3182 177.9036 109 D 4.5309 8.7149 119.4823 56.9066 41.1483 177.2774 110 E 4.5408 7.9883 118.2474 54.9873 30.6887 176.0498 111 T 4.5429 8.3712 113.7733 61.6228 70.4219 172.9474 112 A 5.0195 8.8346 123.5734 50.3124 23.5668 175.4079 113 T 4.8284 8.3444 109.5330 60.8522 70.8938 175.8257 114 I 3.3188 8.6636 120.2918 63.9135 37.7955 177.8699 115 V 3.5770 7.7334 118.8807 66.0341 31.5652 177.5604 116 E 3.9816 7.8629 118.3085 58.9018 29.2904 178.4461 117 F 4.1241 8.4662 120.9911 61.3072 39.4149 177.1347 118 L 3.8911 8.0455 118.4351 57.9173 41.4058 179.2477 119 N 4.2922 8.0439 116.3041 56.2131 38.3571 177.3547 120 R 3.7114 7.8179 120.0021 59.3746 30.1561 178.7242 121 W 4.3871 7.5301 118.4044 59.3826 29.0094 178.8195 122 I 3.8021 8.1220 120.6718 64.7571 36.5504 178.5621 123 T 3.9306 8.3614 117.0595 66.2790 68.0809 176.6132 124 F 4.0954 8.6168 123.1221 61.5706 39.4867 177.0129 125 C 4.0939 8.3620 116.2953 63.0264 27.4749 176.1888 126 Q 4.0033 8.0536 119.4724 58.8504 27.9834 178.8348 127 S 4.0293 7.7253 113.6322 61.3323 62.7914 175.9798 128 I 3.7793 7.2488 122.2987 64.1247 36.8747 178.2217 129 I 3.6859 7.7033 120.9534 64.5377 36.7252 178.6243 130 S 4.1867 7.5497 113.3834 61.2789 62.8891 176.0315 131 T 4.1703 7.4833 111.4926 62.8761 68.8884 174.5264 132 L 4.2932 7.5905 126.6310 55.9487 40.7071 175.9777 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 S 8.29 4.39 0.00 3.86 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 5 S 8.44 3.87 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.69 4.34 0.00 3.87 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 7 T 7.83 3.96 4.36 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 1.20 0.00 0.00 8 K 7.59 4.02 0.00 1.88 1.97 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.71 3.93 0.00 1.86 1.92 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.52 7.81 10 T 7.91 3.87 4.36 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 1.21 0.00 0.00 11 Q 7.94 3.89 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 12 L 7.89 4.03 0.00 1.74 1.69 0.91 1.00 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 13 Q 8.12 4.07 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 14 L 8.00 4.10 0.00 1.96 1.71 0.94 0.96 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 15 E 8.32 4.03 0.00 2.28 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 0.00 2.33 2.31 0.00 16 H 8.41 4.29 0.00 3.34 3.30 0.00 5.61 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 17 L 7.96 3.89 0.00 1.83 1.88 0.86 0.57 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 18 L 7.94 3.98 0.00 1.92 1.91 0.96 0.73 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 19 L 7.84 4.02 0.00 2.01 1.67 0.94 0.86 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 20 D 8.07 4.34 0.00 2.84 2.66 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 21 L 7.96 4.03 0.00 1.71 1.71 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.12 4.02 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 23 M 8.14 4.02 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 24 I 7.64 3.66 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.20 0.90 0.00 0.00 25 L 7.80 3.88 0.00 1.86 1.78 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.04 4.29 0.00 2.80 2.96 0.00 0.00 7.24 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 27 G 7.81 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.17 2.68 1.87 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 1.47 0.67 0.87 0.00 0.00 29 N 8.23 4.51 0.00 2.76 2.85 0.00 0.00 6.86 7.82 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 30 N 7.10 4.79 0.00 2.86 2.69 0.00 0.00 7.03 7.43 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 31 Y 7.14 4.84 0.00 3.08 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 32 K 8.57 4.23 0.00 2.00 1.97 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.51 7.81 33 N 8.82 4.29 0.00 2.77 2.95 0.00 0.00 6.91 8.03 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 34 P 0.00 4.30 0.00 2.14 2.09 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 35 K 7.93 3.93 0.00 1.68 1.84 0.00 1.37 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.84 1.14 7.81 36 L 8.35 4.13 0.00 2.01 1.72 1.09 0.90 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 37 T 7.62 3.94 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 1.23 0.00 0.00 38 R 7.73 4.09 0.00 1.99 1.99 0.00 3.28 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 39 M 7.97 4.36 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 40 L 7.45 4.53 0.00 1.91 1.75 0.97 0.89 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 41 T 7.49 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 1.33 0.00 0.00 42 F 7.80 3.96 0.00 3.08 3.08 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 0.00 0.00 0.00 43 K 7.89 4.73 0.00 1.38 1.51 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.30 7.81 44 F 9.38 4.69 0.00 3.00 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 45 Y 8.97 4.97 0.00 3.05 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 46 M 9.00 5.11 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.72 0.00 47 P 0.00 4.65 0.00 1.81 1.90 0.00 3.50 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.93 0.00 48 K 8.40 4.24 0.00 1.80 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.28 7.81 49 K 7.68 4.64 0.00 1.58 1.55 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.38 7.81 50 A 8.28 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.35 4.66 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 52 E 8.15 4.86 0.00 1.78 1.70 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 2.23 2.28 0.00 53 L 8.41 4.34 0.00 1.69 1.76 0.92 0.59 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 54 K 7.84 4.02 0.00 1.61 1.85 0.00 0.61 0.00 0.00 1.33 0.00 0.00 2.66 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.07 0.70 7.81 55 H 7.90 4.75 0.00 3.51 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.83 3.82 0.00 1.87 1.57 1.06 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.82 4.07 0.00 2.48 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 58 C 8.09 4.53 0.00 3.55 3.49 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 0.00 0.00 0.00 0.00 59 L 7.23 3.82 0.00 0.27 0.91 0.29 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.98 3.88 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 2.32 2.37 0.00 61 E 8.19 4.19 0.00 2.32 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 0.00 2.44 2.55 0.00 62 E 8.15 4.70 0.00 2.63 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 0.00 2.75 3.15 0.00 63 L 7.95 4.22 0.00 1.86 1.75 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.03 4.01 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.56 7.81 65 P 0.00 4.35 0.00 2.08 2.03 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 66 L 7.98 4.18 0.00 2.04 1.94 0.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.68 3.98 0.00 2.22 2.07 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 2.32 2.46 0.00 68 E 8.33 3.90 0.00 2.35 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 0.00 2.40 2.38 0.00 69 A 7.95 3.54 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.59 4.01 0.00 1.67 1.76 0.94 1.01 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 71 N 7.78 4.50 0.00 2.92 2.89 0.00 0.00 7.05 9.11 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 72 L 7.76 4.21 0.00 1.75 1.75 1.13 1.24 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 73 A 7.30 4.58 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 74 Q 7.46 4.27 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.44 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 *81 R 8.42 4.22 0.00 1.84 1.89 0.00 3.23 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 82 P 0.00 4.47 0.00 2.27 2.14 0.00 3.58 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 2.24 2.16 0.00 83 R 7.95 3.91 0.00 1.85 1.93 0.00 3.34 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.67 0.00 84 D 7.99 4.41 0.00 2.86 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 85 L 8.06 3.96 0.00 1.86 1.67 0.92 0.90 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 86 I 7.78 3.81 1.96 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 1.75 0.83 1.03 0.00 0.00 87 S 7.83 4.16 0.00 4.06 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 88 N 8.04 4.37 0.00 2.98 2.88 0.00 0.00 6.99 8.65 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 89 I 7.70 3.72 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 0.87 0.00 0.00 90 N 8.45 4.20 0.00 2.99 3.00 0.00 0.00 6.85 7.36 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 91 V 7.50 3.57 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 0.98 0.00 0.00 1.02 0.00 0.00 92 I 7.38 3.70 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.76 0.95 0.00 0.00 93 V 8.12 3.53 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.85 0.00 0.00 94 L 8.19 4.10 0.00 1.94 1.70 0.93 1.31 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 95 E 8.15 4.05 0.00 2.15 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 0.00 2.34 2.53 0.00 96 L 8.12 4.16 0.00 1.88 1.77 0.96 0.97 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 97 K 7.59 4.33 0.00 1.94 2.07 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.57 7.81 98 G 8.23 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 0.00 0.00 0.00 *100 E 9.06 4.40 0.00 2.03 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 2.13 1.91 0.00 101 T 7.08 4.58 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 102 T 7.49 4.55 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 103 F 8.74 4.93 0.00 2.89 2.93 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 0.00 104 M 7.83 4.00 0.00 1.81 1.67 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 105 C 8.33 4.37 0.00 2.90 2.79 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 0.00 106 E 8.43 4.45 0.00 1.92 1.80 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 2.29 2.29 0.00 107 Y 8.42 5.09 0.00 2.74 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 0.00 108 A 8.57 4.33 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 0.00 109 D 8.71 4.53 0.00 2.72 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 0.00 110 E 7.99 4.54 0.00 2.00 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 2.29 2.31 0.00 111 T 8.37 4.54 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 1.04 0.00 0.00 112 A 8.83 5.02 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 0.00 113 T 8.34 4.83 4.37 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 1.29 0.00 0.00 114 I 8.66 3.32 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.04 0.99 0.00 0.00 115 V 7.73 3.58 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 0.99 0.00 0.00 0.96 0.00 0.00 116 E 7.86 3.98 0.00 2.25 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 2.31 2.33 0.00 117 F 8.47 4.12 0.00 3.11 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 0.00 118 L 8.05 3.89 0.00 1.78 1.69 0.93 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.04 4.29 0.00 2.86 2.84 0.00 0.00 6.71 7.65 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 0.00 120 R 7.82 3.71 0.00 1.82 1.64 0.00 2.95 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.07 0.00 121 W 7.53 4.39 0.00 3.25 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 0.00 122 I 8.12 3.80 2.09 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 1.54 1.02 0.92 0.00 0.00 123 T 8.36 3.93 4.35 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 1.19 0.00 0.00 124 F 8.62 4.10 0.00 3.09 3.42 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 0.00 125 C 8.36 4.09 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 4.00 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 127 S 7.73 4.03 0.00 3.80 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 0.00 128 I 7.25 3.78 1.63 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.18 0.79 0.00 0.00 129 I 7.70 3.69 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.89 0.00 0.00 130 S 7.55 4.19 0.00 4.01 3.96 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 0.00 131 T 7.48 4.17 4.20 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 1.20 0.00 0.00 132 L 7.59 4.29 0.00 1.66 1.57 0.90 1.12 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 * Residues marked with a * may have inaccurate shift predictions.