NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *24 M 4.4846 8.4045 118.7980 53.8711 33.9082 176.2861 25 Q 4.4542 7.8347 117.9177 52.7742 31.9518 175.3069 26 L 4.4926 9.4686 128.0846 52.8489 43.4716 175.2475 27 R 4.6978 8.3827 126.9799 55.2097 31.7308 175.9310 28 F 5.5268 8.6085 116.7514 55.1206 41.4818 173.5629 29 A 4.4623 8.7972 121.5118 49.9718 22.2361 175.5382 30 R 4.5042 8.3819 120.4674 56.2283 30.4418 176.8517 31 L 4.4821 9.2892 124.1375 56.0929 42.4004 176.3423 32 S 4.5516 7.6046 112.2951 57.1791 65.6848 174.2672 33 E 4.2448 8.4750 118.1913 57.9292 28.9247 177.4445 34 H 4.5847 7.9305 115.8142 55.8786 29.4261 175.1971 35 A 4.3431 7.3230 121.6346 51.9839 18.9843 176.9478 36 T 4.4115 7.9664 116.1783 60.9415 71.4195 174.2626 37 A 3.5019 8.3703 128.4527 51.4805 18.8084 175.6202 38 P 5.1654 0.0000 0.0000 62.8149 32.2742 175.8687 39 T 4.8865 8.6605 111.0824 60.1811 72.3450 173.2509 40 R 4.0185 8.3429 126.5623 55.7379 32.4716 177.2639 *44 R 4.1067 8.4403 115.4081 55.6682 31.6683 175.3250 45 A 4.0184 7.9462 120.4391 51.9503 18.9072 178.8630 46 A 4.0610 8.6496 125.4904 53.9749 18.8740 177.8387 47 G 4.2388 7.5962 101.3899 44.5467 0.0000 172.4721 48 Y 4.6032 8.5581 120.7899 56.6871 39.3959 174.9117 49 D 4.7872 9.3199 125.8033 54.4515 42.3586 175.3355 50 L 4.7595 8.9179 123.8285 53.6654 43.9215 174.9912 51 Y 5.0149 8.5429 120.8386 56.0992 40.2093 175.1441 52 S 4.4313 9.0353 119.4743 58.8864 63.1346 174.5971 53 A 4.3412 9.0017 127.9006 52.7986 19.3639 176.2069 54 Y 4.8160 7.7652 111.2968 56.1792 42.5035 174.6192 55 D 4.9762 8.4851 119.9921 54.2231 41.8901 176.1324 56 Y 4.8408 9.3982 120.1545 56.4809 42.4912 174.4631 57 T 4.8907 8.7214 119.0080 62.0666 70.9553 173.8149 58 I 4.3809 8.7482 129.0271 58.8874 38.6019 174.0258 59 P 4.8178 0.0000 0.0000 61.4336 32.2066 174.6906 60 P 4.3089 0.0000 0.0000 63.9375 31.7842 176.0040 61 M 3.0967 8.2812 120.6995 56.3430 30.1813 175.7893 62 E 4.8689 7.4937 115.2087 54.8019 35.1291 174.8303 63 K 5.2784 8.3997 118.7533 55.6659 36.3557 175.0830 64 A 4.5872 8.6160 120.2162 50.7741 23.0514 175.8567 65 V 4.2607 8.2772 121.4577 61.6764 32.4550 175.3647 66 V 3.3489 8.5139 130.0359 61.3302 32.7472 175.2018 67 K 4.7018 8.9840 128.7004 56.7495 32.6528 178.0609 68 T 4.2895 8.5309 113.9554 60.4690 70.2713 174.7426 69 D 4.6271 8.5257 121.6275 55.3444 39.1878 172.7164 70 I 5.3129 7.6245 110.6429 59.0851 41.1277 174.0343 71 Q 5.2400 9.0378 121.9484 54.4143 31.2712 174.3233 72 I 5.0589 8.5006 114.2323 59.2548 40.8216 175.1252 73 A 4.6732 8.9793 126.7462 49.7477 19.8641 175.3680 74 L 4.2864 8.4054 120.4202 54.4403 42.3133 175.4976 75 P 4.5270 0.0000 0.0000 62.7347 32.6015 175.9756 76 S 4.4755 8.5471 116.8169 60.0598 63.5169 174.8094 77 G 4.1632 9.9633 111.5343 45.9389 0.0000 172.5101 78 C 5.4521 7.9243 112.5269 56.6245 33.2111 172.4129 79 Y 4.8867 8.7938 117.7708 55.2640 41.6331 174.5643 80 G 4.2023 9.0107 107.3452 44.6103 0.0000 172.6736 81 R 4.9905 8.4570 128.5001 55.0604 31.6828 175.4152 82 V 4.4276 8.5477 127.4012 62.3846 32.0784 174.9033 83 A 4.9760 9.0756 130.4161 49.0279 22.0465 173.6115 84 P 4.5957 0.0000 0.0000 62.8763 32.4856 176.4597 85 R 4.2893 8.4627 121.1983 55.7778 31.2797 177.9004 86 S 4.3406 8.5963 116.4055 61.0164 63.2274 177.1347 87 G 3.5396 7.9644 109.1601 47.8604 0.0000 175.6633 88 L 4.0779 7.8939 121.3055 57.0110 41.7333 179.3258 89 A 4.2925 8.1421 121.4812 54.7213 18.1846 179.6345 90 A 3.8662 8.0271 118.2326 55.1465 18.5520 179.5664 91 K 4.1203 8.0157 115.7439 58.4001 32.4741 177.6644 92 H 4.8603 7.7323 112.1775 54.4832 30.3950 173.0322 93 F 4.0867 7.9915 120.6210 59.4162 37.9316 174.0505 94 I 4.7498 7.6274 118.9866 60.0104 38.8875 174.9414 95 D 4.8718 9.1994 125.1269 52.6216 45.5361 173.8337 96 V 4.6587 8.3895 122.3026 61.2986 32.8373 175.8110 97 G 3.3789 7.9634 115.9358 43.6535 0.0000 175.9724 98 A 3.4914 9.8299 124.3959 52.6038 17.6496 178.4065 99 G 3.9839 9.0500 108.8919 47.5618 0.0000 172.6728 100 V 4.4755 7.3667 120.1199 61.3707 31.4472 174.0349 101 I 4.1714 8.7762 128.2692 59.8607 38.3180 175.0757 102 D 4.8584 8.6850 127.6034 53.7797 41.6086 177.5442 103 E 3.9661 9.2216 121.8921 59.3636 29.5895 177.9331 104 D 4.7916 7.9789 114.5947 52.9147 40.1248 175.6189 105 Y 4.4082 8.0284 122.3303 58.0491 39.1513 175.2752 106 R 4.3298 7.9506 123.2686 55.5096 31.9497 175.7674 107 G 3.5165 5.4900 107.2110 43.8064 0.0000 172.3053 108 N 4.5400 8.5533 118.2582 53.7693 39.5671 175.2074 109 V 3.9610 9.2249 127.9440 63.2102 32.5792 174.7399 110 G 4.3783 8.7905 115.2782 44.4456 0.0000 172.4074 111 V 4.1978 8.6823 124.6649 60.9967 33.4618 175.1586 112 V 4.3128 8.1774 129.2889 62.1508 32.0192 174.1391 113 L 4.7137 8.7059 129.2489 53.5730 43.5154 175.8210 114 F 5.0287 9.5842 123.6214 55.9660 41.3223 174.4881 115 N 4.7494 8.8501 124.3384 52.2893 38.4827 174.7894 116 F 4.2549 8.3335 122.5728 57.8212 39.5952 176.1706 117 G 4.0617 8.0202 108.4946 46.5922 0.0000 174.7365 118 K 4.3869 8.8437 120.2703 55.5288 32.2950 176.5227 119 E 4.8708 7.9408 118.3645 55.7977 31.6894 176.7397 120 K 4.4449 8.6358 125.3215 55.4201 32.8521 176.9212 121 F 4.8689 9.4926 126.6319 55.9973 41.7988 174.0222 122 E 4.8047 7.9332 125.9919 54.9346 30.6497 175.6227 123 V 4.2016 8.6608 126.0616 60.0694 33.5455 175.2111 124 K 4.9374 9.1643 127.8134 54.6737 34.4629 177.0901 125 K 4.0688 9.6680 126.2530 56.8020 31.8577 177.1289 126 G 4.1821 9.0389 112.7655 44.1330 0.0000 173.2592 127 D 4.5747 8.1793 120.9205 54.0270 42.1860 176.1768 128 R 4.3481 8.5836 122.7765 56.0773 29.6450 176.1453 129 I 4.3989 7.9932 116.9677 60.5586 38.8660 174.8660 130 A 4.5352 7.1636 123.5641 51.6775 22.6021 174.7693 131 Q 4.9397 8.9295 116.8125 54.4054 32.6888 174.0450 132 L 5.1148 9.1745 123.2088 53.5791 44.3956 174.8854 133 I 4.7968 8.6368 127.6520 59.8487 39.7415 175.1900 134 C 4.5596 8.6689 125.1658 59.0565 27.3720 171.3993 135 E 4.0872 8.4647 122.9521 55.4052 30.2382 176.3159 136 R 4.7150 8.4955 124.7801 56.2763 30.7952 175.9952 137 I 4.5464 8.3766 115.8472 59.5876 41.0862 174.3629 138 F 5.0127 8.4207 120.9700 56.6933 41.0906 175.8867 139 Y 4.6923 8.3480 118.8623 56.4608 37.6836 174.0613 140 P 4.5238 0.0000 0.0000 62.3658 32.8602 176.4682 141 E 4.2264 8.4121 119.1414 55.9071 30.2435 176.2497 142 I 4.0947 8.3155 125.7958 60.5605 38.9710 175.3630 143 E 4.5840 8.4595 122.7597 53.7989 32.6244 171.8340 144 E 4.2250 8.8260 125.9288 54.8906 30.3730 176.0680 145 V 4.5858 7.9379 118.1299 59.2844 35.3066 175.9081 146 Q 4.1050 8.7052 120.0350 58.8052 28.7767 176.8646 147 A 4.6346 7.4888 116.9590 50.8671 22.0610 175.2411 148 L 4.6066 8.0888 120.3017 52.6762 43.6536 176.4694 149 D 4.5193 8.3760 119.7247 53.9016 39.7439 175.6386 150 D 4.8734 8.2840 119.7985 53.2411 42.6592 175.7220 151 T 4.7397 7.8470 109.8742 59.4540 72.1692 173.8450 152 E 4.0254 8.9080 122.4705 59.5234 30.0956 177.8955 153 R 3.9948 8.3281 118.5735 59.0543 31.0515 176.2084 154 G 3.7338 7.9215 106.3861 47.1584 0.0000 175.0936 155 S 4.3949 8.8189 119.8825 58.7223 63.1495 174.5528 156 G 3.6729 7.9770 111.1059 45.9649 0.0000 173.3259 157 G 3.7919 8.5506 111.8125 45.8891 0.0000 172.4354 158 F 3.5285 9.5423 115.0720 58.7008 36.2336 176.6722 159 G 4.0908 8.1594 107.4008 45.0529 0.0000 175.1615 160 S 4.0226 7.5298 113.1438 60.9447 62.8708 175.2878 161 T 4.1445 7.8940 109.2439 61.3956 69.1274 175.0670 162 G 3.8402 8.6401 110.0896 44.9636 0.0000 172.7598 163 K 4.3518 8.3552 116.0125 57.2757 33.2683 176.5567 164 N 4.5544 7.8086 119.7243 52.9765 37.3735 173.9344 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 *24 M 8.40 4.48 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 25 Q 7.83 4.45 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 26 L 9.47 4.49 0.00 1.60 1.51 0.56 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.38 4.70 0.00 1.77 1.80 0.00 3.10 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 28 F 8.61 5.53 0.00 3.07 2.88 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 29 A 8.80 4.46 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.38 4.50 0.00 1.70 2.10 0.00 3.22 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 31 L 9.29 4.48 0.00 1.63 1.75 0.95 1.01 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 32 S 7.60 4.55 0.00 3.93 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 33 E 8.48 4.24 0.00 1.88 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 2.24 2.22 0.00 34 H 7.93 4.58 0.00 2.92 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.32 4.34 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 36 T 7.97 4.41 3.47 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 0.48 0.00 0.00 37 A 8.37 3.50 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 38 P 0.00 5.17 0.00 1.67 2.12 0.00 2.61 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 39 T 8.66 4.89 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 1.36 0.00 0.00 40 R 8.34 4.02 0.00 1.37 1.64 0.00 3.07 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.00 *44 R 8.44 4.11 0.00 2.09 1.94 0.00 3.38 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 45 A 7.95 4.02 1.12 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 46 A 8.65 4.06 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 47 G 7.60 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 48 Y 8.56 4.60 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 9.32 4.79 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.92 4.76 0.00 1.52 1.59 0.92 0.74 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 51 Y 8.54 5.01 0.00 2.82 2.87 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 0.00 52 S 9.04 4.43 0.00 4.02 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 53 A 9.00 4.34 0.92 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 54 Y 7.77 4.82 0.00 2.40 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 55 D 8.49 4.98 0.00 2.45 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 56 Y 9.40 4.84 0.00 2.82 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 57 T 8.72 4.89 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 1.26 0.00 0.00 58 I 8.75 4.38 2.00 0.00 0.00 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 1.31 0.98 0.92 0.00 0.00 59 P 0.00 4.82 0.00 1.93 2.01 0.00 3.71 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 2.04 2.11 0.00 60 P 0.00 4.31 0.00 2.07 2.17 0.00 3.93 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 61 M 8.28 3.10 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 62 E 7.49 4.87 0.00 1.96 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 2.25 2.22 0.00 63 K 8.40 5.28 0.00 2.16 1.93 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.57 7.81 64 A 8.62 4.59 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.28 4.26 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 0.77 0.00 0.00 0.91 0.00 0.00 66 V 8.51 3.35 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 0.73 0.00 0.00 0.30 0.00 0.00 67 K 8.98 4.70 0.00 2.23 2.07 0.00 1.86 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.60 7.81 68 T 8.53 4.29 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 1.29 0.00 0.00 69 D 8.53 4.63 0.00 3.00 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 70 I 7.62 5.31 2.10 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.10 1.00 0.00 0.00 71 Q 9.04 5.24 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 72 I 8.50 5.06 1.93 0.00 0.00 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 1.41 0.86 0.98 0.00 0.00 73 A 8.98 4.67 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 74 L 8.41 4.29 0.00 1.62 1.67 1.08 1.15 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 75 P 0.00 4.53 0.00 2.14 2.21 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 76 S 8.55 4.48 0.00 3.91 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 0.00 77 G 9.96 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.92 5.45 0.00 2.89 2.87 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 0.00 79 Y 8.79 4.89 0.00 3.27 3.11 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 80 G 9.01 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 0.00 0.00 0.00 0.00 81 R 8.46 4.99 0.00 1.69 1.66 0.00 3.15 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 82 V 8.55 4.43 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 0.73 0.00 0.00 0.92 0.00 0.00 83 A 9.08 4.98 1.17 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 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.60 0.00 2.09 2.07 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 85 R 8.46 4.29 0.00 1.87 1.85 0.00 3.04 0.00 0.00 3.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 86 S 8.60 4.34 0.00 4.03 4.10 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 87 G 7.96 3.54 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 0.00 0.00 0.00 88 L 7.89 4.08 0.00 1.65 1.57 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.14 4.29 1.41 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 0.00 0.00 0.00 90 A 8.03 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 91 K 8.02 4.12 0.00 1.54 1.62 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.53 7.81 92 H 7.73 4.86 0.00 3.01 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 7.99 4.09 0.00 3.24 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 94 I 7.63 4.75 1.70 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.07 0.75 0.00 0.00 95 D 9.20 4.87 0.00 3.05 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 96 V 8.39 4.66 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 0.76 0.00 0.00 0.85 0.00 0.00 97 G 7.96 3.38 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 0.00 98 A 9.83 3.49 0.96 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 0.00 0.00 99 G 9.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.37 4.48 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 0.51 0.00 0.00 0.87 0.00 0.00 101 I 8.78 4.17 2.02 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 1.35 0.83 1.01 0.00 0.00 102 D 8.68 4.86 0.00 2.83 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 0.00 103 E 9.22 3.97 0.00 2.09 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 0.00 2.41 2.78 0.00 104 D 7.98 4.79 0.00 2.81 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 0.00 105 Y 8.03 4.41 0.00 2.88 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 0.00 106 R 7.95 4.33 0.00 1.65 1.75 0.00 3.36 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 107 G 5.49 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 0.00 108 N 8.55 4.54 0.00 2.82 2.89 0.00 0.00 6.81 7.71 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 0.00 109 V 9.22 3.96 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 0.91 0.00 0.00 1.14 0.00 0.00 110 G 8.79 4.38 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 0.00 111 V 8.68 4.20 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 0.83 0.00 0.00 0.91 0.00 0.00 112 V 8.18 4.31 1.94 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 0.74 0.00 0.00 0.83 0.00 0.00 113 L 8.71 4.71 0.00 1.54 1.49 0.93 0.93 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 0.00 114 F 9.58 5.03 0.00 2.74 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 0.00 0.00 0.00 115 N 8.85 4.75 0.00 2.75 2.86 0.00 0.00 6.77 7.28 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 0.00 116 F 8.33 4.25 0.00 1.51 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.02 4.06 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 0.00 0.00 0.00 118 K 8.84 4.39 0.00 1.79 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.02 7.81 119 E 7.94 4.87 0.00 1.92 1.98 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 2.30 2.41 0.00 120 K 8.64 4.44 0.00 1.54 1.60 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 121 F 9.49 4.87 0.00 2.99 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 0.00 122 E 7.93 4.80 0.00 1.60 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 2.15 2.14 0.00 123 V 8.66 4.20 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 1.03 0.00 0.00 1.14 0.00 0.00 124 K 9.16 4.94 0.00 1.95 1.74 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.25 7.81 125 K 9.67 4.07 0.00 1.68 1.64 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.29 7.81 126 G 9.04 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 0.00 0.00 0.00 127 D 8.18 4.57 0.00 2.77 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 0.00 128 R 8.58 4.35 0.00 1.50 1.62 0.00 3.07 0.00 0.00 2.90 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 129 I 7.99 4.40 1.88 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 1.20 0.64 1.03 0.00 0.00 130 A 7.16 4.54 1.17 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 0.00 0.00 0.00 0.00 0.00 131 Q 8.93 4.94 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 132 L 9.17 5.11 0.00 1.75 1.61 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.64 4.80 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.87 0.00 0.00 134 C 8.67 4.56 0.00 2.85 2.88 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 0.00 135 E 8.46 4.09 0.00 1.16 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 2.08 1.96 0.00 136 R 8.50 4.71 0.00 1.59 1.74 0.00 3.14 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 137 I 8.38 4.55 1.69 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.27 1.08 0.00 0.00 138 F 8.42 5.01 0.00 3.05 2.88 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 0.00 139 Y 8.35 4.69 0.00 3.06 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 0.00 140 P 0.00 4.52 0.00 2.17 2.01 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 141 E 8.41 4.23 0.00 1.98 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 2.33 2.24 0.00 142 I 8.32 4.09 1.88 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 1.28 0.66 0.92 0.00 0.00 143 E 8.46 4.58 0.00 1.96 1.66 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 2.11 1.83 0.00 144 E 8.83 4.22 0.00 1.92 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 2.33 0.00 145 V 7.94 4.59 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 0.81 0.00 0.00 0.97 0.00 0.00 146 Q 8.71 4.11 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 147 A 7.49 4.63 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.09 4.61 0.00 1.64 1.60 0.92 1.05 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 0.00 149 D 8.38 4.52 0.00 2.76 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 0.00 150 D 8.28 4.87 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 T 7.85 4.74 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 1.21 0.00 0.00 152 E 8.91 4.03 0.00 1.95 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 2.29 2.25 0.00 153 R 8.33 3.99 0.00 1.87 1.92 0.00 3.35 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 154 G 7.92 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 0.00 155 S 8.82 4.39 0.00 3.90 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 0.00 156 G 7.98 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.55 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 0.00 158 F 9.54 3.53 0.00 3.18 3.10 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 0.00 159 G 8.16 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 0.00 0.00 0.00 0.00 160 S 7.53 4.02 0.00 4.05 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.89 4.14 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 1.20 0.00 0.00 162 G 8.64 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 0.00 163 K 8.36 4.35 0.00 2.01 1.86 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 0.98 7.81 164 N 7.81 4.55 0.00 2.73 2.70 0.00 0.00 5.86 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 * Residues marked with a * may have inaccurate shift predictions.