NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4598 8.3349 115.4154 58.0033 64.3078 171.3947 3 N 4.8758 7.5859 116.0355 53.0585 42.8987 172.6355 4 T 4.8007 9.0418 114.9676 62.8730 73.2603 173.5710 5 L 4.8591 8.2607 122.2705 53.8099 43.8830 176.2168 6 F 4.5939 7.3955 117.5780 57.6156 42.4448 171.8406 7 D 5.6061 8.6239 124.7829 50.9449 44.6831 174.1256 8 D 4.7978 8.1278 126.3932 54.2284 44.5150 175.3261 9 I 4.6925 7.6278 126.6026 60.8739 38.9293 174.7203 10 F 5.1617 10.3881 124.8374 55.6598 42.9776 173.9228 11 Q 5.0124 9.4062 123.9286 54.2624 31.1996 174.7486 12 V 4.0962 8.5543 128.2827 63.1312 31.8338 176.4797 13 S 4.4135 8.7685 124.0385 60.2895 64.3540 174.2905 14 E 4.7503 7.9623 119.1918 54.1645 33.5746 174.5435 15 V 4.3888 8.3614 123.6563 61.3537 34.2787 173.8720 16 D 4.8786 8.8207 129.0117 51.7441 42.9734 174.1133 17 P 4.9225 0.0000 0.0000 61.4090 29.7064 176.1562 18 G 3.8120 8.3540 112.2440 46.9613 0.0000 171.4258 19 R 3.8181 8.3424 129.0969 57.1196 27.8171 176.2187 20 Y 4.8502 7.8548 112.2036 56.6893 41.9724 175.3046 21 N 4.9487 8.9567 118.6055 53.3154 40.4740 175.3002 22 K 4.7435 8.0611 116.0026 55.7129 34.5271 175.4680 23 V 4.9267 7.7643 118.9361 61.5693 34.8125 174.0410 24 C 4.9717 8.8384 123.1689 58.0708 33.1771 173.1047 25 R 4.7046 9.1979 123.7968 55.1800 30.9936 175.0817 26 I 4.6272 8.8946 128.5884 60.3617 39.4374 175.1064 27 E 5.3786 9.1773 125.4230 53.5065 32.2259 173.7458 28 A 5.2887 8.4643 128.2595 50.1456 22.5052 175.2380 29 A 4.6952 9.0564 123.6759 51.3710 20.9661 175.9868 30 S 4.4433 8.1276 114.3689 57.1961 63.6566 173.7706 31 T 3.7994 7.7430 123.6135 65.5973 68.7914 172.6349 32 T 3.4611 9.1995 125.0518 62.7432 64.9737 172.3960 33 Q 4.3464 8.5272 131.4122 55.0048 29.2980 176.4413 34 D 4.4931 8.7307 124.2412 57.1642 41.1796 178.5471 35 Q 4.0939 8.1325 117.3540 58.7517 29.0223 176.2780 36 C 5.3814 8.0890 119.2467 58.4348 32.8016 173.0008 37 K 4.9732 8.7184 124.0191 54.6757 36.9128 174.6939 38 L 5.0161 8.5792 122.8210 53.7265 45.9312 175.1944 39 T 5.0418 8.4544 121.2333 61.7441 71.9108 172.7521 40 L 5.1222 9.3200 127.6056 53.6534 46.3868 174.0830 41 D 5.2546 8.6055 124.0354 52.8178 42.4410 176.0836 42 I 4.4234 8.4884 124.0169 59.3417 41.4577 174.9242 43 N 5.7492 8.6827 124.0210 52.3188 37.5051 175.3719 44 V 3.9452 8.3019 122.9476 63.8299 31.5802 175.9938 45 E 4.2226 8.5223 119.9244 58.9842 29.9579 176.9529 46 L 4.4654 8.5019 117.4628 56.0282 42.1712 176.9010 47 F 4.7587 8.6466 120.9765 55.1414 39.7326 171.7408 48 P 4.3036 0.0000 0.0000 62.6600 31.9235 175.0518 49 V 4.1027 7.1732 117.4451 62.7511 34.3001 171.2848 50 A 4.1255 7.8102 121.0333 51.8687 22.8571 175.0576 51 A 3.8703 8.7620 120.5586 53.6309 17.9423 176.4005 52 Q 3.6109 8.4311 123.6731 56.8405 26.0486 172.9272 53 D 5.1307 7.8779 120.2723 52.2088 45.2374 175.3268 54 S 4.8269 8.6718 116.2292 57.3233 62.8302 172.5025 55 L 4.7711 9.3526 127.2010 53.8281 43.9130 175.6422 56 T 4.7799 8.2254 120.7938 62.3616 70.1694 174.1071 57 V 5.0584 8.9780 126.3169 61.8664 35.0843 174.3560 58 T 5.3076 8.4612 120.0065 64.2752 72.9338 172.1847 59 I 4.7594 9.1982 123.0191 57.5633 38.6870 180.3122 60 A 3.8087 8.8991 133.0265 54.3980 17.4922 177.8076 61 S 5.4657 8.2100 100.5000 58.1929 65.2415 175.9959 62 S 4.4742 7.1354 124.2542 58.8802 66.7552 178.4092 63 L 4.1116 8.4052 113.2790 54.8763 38.4124 176.6433 *76 T 4.1366 7.4989 116.7392 63.0545 70.3872 170.8651 77 R 3.8595 8.3834 127.0417 54.9766 30.4743 176.6644 78 S 4.2089 8.7605 116.0866 58.2970 63.2390 174.2308 79 W 4.2466 8.8219 133.3603 57.6123 31.0821 174.8182 80 R 4.4381 7.3225 122.0748 53.5079 33.5685 172.1011 81 P 3.9647 0.0000 0.0000 62.7202 34.0093 177.6746 82 P 4.4809 0.0000 0.0000 63.1209 31.8978 175.8324 83 Q 3.8219 8.7265 115.1077 56.9638 27.0547 174.8347 84 A 4.1068 7.5814 117.1806 53.3955 18.3960 178.9833 85 G 3.5452 7.9740 105.1090 47.4070 0.0000 173.8249 86 D 4.9964 8.0502 118.3748 53.7166 42.7658 175.6559 87 R 4.6068 8.5782 119.0217 54.6033 30.9715 175.6274 88 S 4.1901 8.4584 121.0501 60.0941 63.5989 174.8967 89 L 4.5391 7.5894 113.7404 54.7896 43.7744 175.6112 90 A 4.4571 7.9086 123.3875 52.2405 18.0083 177.5889 91 D 4.9876 7.9069 116.4653 54.8784 40.2362 177.2911 92 D 4.6486 8.3546 117.2665 55.8849 40.8740 175.0849 93 Y 4.8980 7.5638 116.3568 56.5720 41.2240 173.8684 94 D 4.9057 9.1727 118.2520 56.3818 42.3159 176.4563 95 Y 4.4310 7.5446 119.2269 56.0462 40.7251 173.9245 96 V 4.9626 7.3003 124.5469 61.8930 34.9332 173.2275 97 M 4.8915 9.1680 125.7051 53.8118 36.7260 173.3128 98 Y 5.0912 8.4204 120.1769 56.5729 42.3120 174.6373 99 G 3.5155 6.9819 109.3171 45.9235 0.0000 171.9603 100 T 4.8734 7.9460 114.7656 60.4213 71.8107 173.6756 101 A 4.2474 8.3419 127.9817 51.1669 19.6862 175.2356 102 Y 4.5155 8.1033 117.4243 57.7428 40.2793 175.7602 103 K 4.7590 7.0688 121.9698 53.6920 35.4958 173.8309 104 F 5.0428 9.1176 125.6742 56.1220 40.4306 174.9554 105 E 4.7819 9.2313 123.3794 54.6320 33.5925 175.8072 106 E 4.5868 8.6864 122.4923 54.8963 28.2957 177.3812 107 V 3.5855 7.9912 122.6459 63.4485 31.6403 176.8270 108 S 4.0547 8.0774 112.6193 58.7602 63.5718 169.5832 109 K 4.2067 8.1945 119.4600 56.5017 31.1298 174.0717 110 D 4.8454 8.4755 112.0202 53.5398 39.9180 175.8180 111 L 5.1187 7.3909 116.0722 54.9117 46.4892 176.6675 112 I 4.7286 9.0958 121.0784 59.9743 42.1322 173.9115 113 A 5.6328 9.0332 126.5218 49.4993 22.9215 175.1066 114 V 4.3834 7.4157 110.1154 59.9085 36.7546 174.0414 115 Y 5.0115 7.9707 119.0506 56.4408 41.1930 174.4963 116 Y 4.6857 9.1041 121.1643 55.9886 42.5294 174.6546 117 S 4.6926 8.5575 116.1931 56.7478 65.3991 173.7587 118 F 4.3551 10.1275 129.8479 56.8581 37.2135 176.1868 119 G 4.0762 9.0974 111.2998 46.9310 0.0000 171.8270 120 G 4.0720 7.7410 109.5370 45.2014 0.0000 175.1811 121 L 4.2845 8.3005 121.1364 54.5475 42.6505 176.6455 122 L 4.9529 9.7244 124.6663 53.8255 44.7272 175.4269 123 M 5.8986 8.7533 119.9861 54.7294 36.4530 173.2811 124 R 4.7622 8.6570 125.7929 54.2709 33.3251 173.4819 125 L 4.8198 8.4266 128.3500 53.0197 44.9184 174.3152 126 E 4.9490 8.1944 126.5995 53.3599 32.4533 173.0391 127 G 4.2409 8.7379 118.4456 46.3493 0.0000 173.2254 128 N 4.2860 7.8332 127.7216 52.9549 43.0104 175.3148 129 Y 4.4295 7.1433 115.6269 58.8737 38.0524 177.3277 130 R 4.0310 7.4181 119.6551 57.7927 30.0537 177.4882 131 N 4.2823 7.6615 116.5065 55.8915 38.5563 175.4459 132 L 4.5112 7.2736 117.8609 56.7225 42.7954 177.8861 133 N 4.4780 8.3202 114.2840 55.5683 38.7587 174.7151 134 N 4.8996 8.1799 116.8878 51.7300 40.1763 175.5494 135 L 4.4232 8.4338 124.8573 55.0853 42.3614 176.9674 136 K 4.3294 8.4680 117.9529 56.7907 33.9917 175.4022 137 Q 4.6241 7.6798 115.3903 54.0766 31.8505 173.6044 138 E 3.6438 8.5452 116.9471 59.7068 29.8925 175.7232 139 N 4.1209 6.9924 115.3881 49.6542 39.9089 174.4785 140 A 5.6353 8.4848 132.1621 52.7298 21.9975 174.8535 141 Y 5.1218 8.4161 119.2381 57.5592 41.0220 174.7897 142 L 4.9155 9.4756 124.8496 53.4040 44.8710 174.9766 143 L 4.9536 8.8767 126.7195 52.8758 44.5583 175.8040 144 I 5.8910 9.0037 123.3802 58.6518 41.4248 174.5322 145 R 5.1664 8.6170 119.9434 55.3397 33.3754 175.3228 146 R 4.1254 9.5021 118.8056 57.0119 30.9133 176.2398 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 2 S 8.33 4.46 0.00 4.00 4.01 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 3 N 7.59 4.88 0.00 2.79 2.79 0.00 0.00 6.98 6.65 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 4 T 9.04 4.80 4.29 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 1.29 0.00 0.00 5 L 8.26 4.86 0.00 1.78 2.01 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.40 4.59 0.00 3.20 2.82 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 7 D 8.62 5.61 0.00 2.65 2.37 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 8 D 8.13 4.80 0.00 2.52 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.63 4.69 1.82 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 1.39 0.90 0.93 0.00 0.00 10 F 10.39 5.16 0.00 3.02 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 11 Q 9.41 5.01 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 12 V 8.55 4.10 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 0.90 0.00 0.00 1.02 0.00 0.00 13 S 8.77 4.41 0.00 3.95 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 14 E 7.96 4.75 0.00 2.01 1.76 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 2.27 2.30 0.00 15 V 8.36 4.39 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 0.83 0.00 0.00 0.92 0.00 0.00 16 D 8.82 4.88 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.92 0.00 2.15 2.08 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 18 G 8.35 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.34 3.82 0.00 1.80 1.76 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 20 Y 7.85 4.85 0.00 3.00 2.75 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 21 N 8.96 4.95 0.00 2.72 2.86 0.00 0.00 6.76 7.61 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 22 K 8.06 4.74 0.00 1.71 1.79 0.00 1.66 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.44 7.81 23 V 7.76 4.93 1.76 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 0.54 0.00 0.00 0.86 0.00 0.00 24 C 8.84 4.97 0.00 2.86 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 25 R 9.20 4.70 0.00 1.93 1.81 0.00 3.09 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 26 I 8.89 4.63 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.86 0.00 0.00 27 E 9.18 5.38 0.00 2.02 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 28 A 8.46 5.29 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 A 9.06 4.70 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.13 4.44 0.00 3.46 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 31 T 7.74 3.80 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 1.17 0.00 0.00 32 T 9.20 3.46 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 1.13 0.00 0.00 33 Q 8.53 4.35 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 34 D 8.73 4.49 0.00 2.67 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 35 Q 8.13 4.09 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 36 C 8.09 5.38 0.00 3.15 2.99 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 37 K 8.72 4.97 0.00 1.72 1.67 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.44 7.81 38 L 8.58 5.02 0.00 1.17 1.25 0.58 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.45 5.04 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 40 L 9.32 5.12 0.00 1.48 1.27 0.85 0.77 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 41 D 8.61 5.25 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.49 4.42 1.74 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.45 0.69 0.00 0.00 43 N 8.68 5.75 0.00 2.94 2.97 0.00 0.00 6.71 7.59 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 44 V 8.30 3.95 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 0.92 0.00 0.00 0.99 0.00 0.00 45 E 8.52 4.22 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 46 L 8.50 4.47 0.00 1.84 1.83 0.91 1.07 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 47 F 8.65 4.76 0.00 3.42 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 48 P 0.00 4.30 0.00 1.90 1.91 0.00 3.55 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 1.96 2.21 0.00 49 V 7.17 4.10 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 0.73 0.00 0.00 0.99 0.00 0.00 50 A 7.81 4.13 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 51 A 8.76 3.87 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 52 Q 8.43 3.61 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 53 D 7.88 5.13 0.00 2.58 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.67 4.83 0.00 3.90 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 55 L 9.35 4.77 0.00 1.72 1.73 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.23 4.78 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 1.33 0.00 0.00 57 V 8.98 5.06 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.86 0.00 0.00 58 T 8.46 5.31 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 1.31 0.00 0.00 59 I 9.20 4.76 1.95 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.05 0.87 0.00 0.00 60 A 8.90 3.81 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.21 5.47 0.00 4.12 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 62 S 7.14 4.47 0.00 3.87 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 63 L 8.41 4.11 0.00 1.60 1.63 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.50 4.14 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 1.27 0.00 0.00 77 R 8.38 3.86 0.00 1.99 1.96 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 78 S 8.76 4.21 0.00 4.04 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 79 W 8.82 4.25 0.00 3.23 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.32 4.44 0.00 1.46 1.52 0.00 3.09 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 81 P 0.00 3.96 0.00 1.92 1.40 0.00 3.26 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 82 P 0.00 4.48 0.00 2.16 1.96 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 83 Q 8.73 3.82 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 84 A 7.58 4.11 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.97 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.05 5.00 0.00 2.60 2.57 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 87 R 8.58 4.61 0.00 1.68 1.60 0.00 3.21 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 88 S 8.46 4.19 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.59 4.54 0.00 1.60 1.91 0.97 0.88 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 90 A 7.91 4.46 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.91 4.99 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 92 D 8.35 4.65 0.00 2.47 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 93 Y 7.56 4.90 0.00 2.90 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 9.17 4.91 0.00 2.84 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 95 Y 7.54 4.43 0.00 1.76 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 0.00 0.00 0.00 0.00 96 V 7.30 4.96 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 0.88 0.00 0.00 0.88 0.00 0.00 97 M 9.17 4.89 0.00 1.66 1.11 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.15 0.00 98 Y 8.42 5.09 0.00 2.36 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 6.98 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.95 4.87 4.09 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 1.12 0.00 0.00 101 A 8.34 4.25 -0.10 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 0.00 102 Y 8.10 4.52 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.07 4.76 0.00 1.95 1.69 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.53 7.81 104 F 9.12 5.04 0.00 2.81 2.99 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 0.00 105 E 9.23 4.78 0.00 2.03 1.88 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 2.29 2.37 0.00 106 E 8.69 4.59 0.00 2.05 1.93 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 2.38 2.32 0.00 107 V 7.99 3.59 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 0.85 0.00 0.00 0.88 0.00 0.00 108 S 8.08 4.05 0.00 4.27 4.18 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 0.00 109 K 8.19 4.21 0.00 1.91 1.88 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 110 D 8.48 4.85 0.00 2.85 2.75 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 0.00 111 L 7.39 5.12 0.00 1.68 1.53 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 112 I 9.10 4.73 1.83 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 1.17 0.53 1.00 0.00 0.00 113 A 9.03 5.63 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.42 4.38 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 -0.36 0.00 0.00 0.67 0.00 0.00 115 Y 7.97 5.01 0.00 1.83 1.93 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 0.00 116 Y 9.10 4.69 0.00 2.72 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 0.00 0.00 0.00 0.00 117 S 8.56 4.69 0.00 4.02 3.64 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 0.00 118 F 10.13 4.36 0.00 3.31 2.99 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 0.00 119 G 9.10 4.08 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 0.00 0.00 0.00 120 G 7.74 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.30 4.28 0.00 1.90 1.85 0.98 0.43 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 0.00 122 L 9.72 4.95 0.00 1.80 1.70 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.75 5.90 0.00 2.34 1.90 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 124 R 8.66 4.76 0.00 1.89 1.62 0.00 3.20 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 125 L 8.43 4.82 0.00 1.44 1.14 0.78 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.19 4.95 0.00 1.97 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 2.14 2.15 0.00 127 G 8.74 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 0.00 0.00 0.00 0.00 128 N 7.83 4.29 0.00 2.76 2.76 0.00 0.00 6.66 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 0.00 129 Y 7.14 4.43 0.00 3.32 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.42 4.03 0.00 1.78 2.02 0.00 2.95 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.11 0.00 131 N 7.66 4.28 0.00 2.71 2.98 0.00 0.00 6.88 9.18 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 0.00 132 L 7.27 4.51 0.00 1.75 1.77 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.32 4.48 0.00 2.92 3.37 0.00 0.00 6.77 8.00 0.00 0.00 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 N 8.18 4.90 0.00 2.92 2.89 0.00 0.00 7.21 8.49 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 0.00 135 L 8.43 4.42 0.00 1.87 1.85 1.05 0.89 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 0.00 136 K 8.47 4.33 0.00 1.54 1.63 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.07 0.98 7.81 137 Q 7.68 4.62 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 138 E 8.55 3.64 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 139 N 6.99 4.12 0.00 2.93 3.00 0.00 0.00 6.72 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.48 5.64 1.61 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 0.00 141 Y 8.42 5.12 0.00 2.98 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 0.00 142 L 9.48 4.92 0.00 1.38 1.03 0.76 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.88 4.95 0.00 0.54 0.13 0.79 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.00 5.89 1.57 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.18 0.89 0.00 0.00 145 R 8.62 5.17 0.00 1.87 2.10 0.00 2.90 0.00 0.00 2.61 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 146 R 9.50 4.13 0.00 1.92 1.94 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.