NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 E 4.2821 8.4444 120.2273 56.2029 30.9347 174.4574 29 V 3.8507 8.1283 121.8387 60.6244 32.6188 173.6942 30 Q 4.2772 9.3158 129.8745 54.9733 29.8591 174.8328 31 L 4.4916 8.2591 125.6521 54.2031 42.5893 176.9481 32 L 4.1603 8.7776 122.4517 54.5014 42.1827 177.6242 33 K 4.1914 8.3793 122.0983 56.8079 33.5714 176.0406 34 E 3.5431 8.3641 117.3094 56.9013 26.0334 173.3705 *36 P 4.1689 0.0000 0.0000 62.2630 33.1343 176.7635 37 K 4.5775 8.3733 121.9511 53.6875 33.8135 174.6289 38 P 4.5368 0.0000 0.0000 62.8943 31.7988 176.7613 39 K 4.2677 8.6291 121.9821 58.9971 32.9363 176.2899 40 A 4.5285 7.6139 118.9073 50.8441 23.7255 174.9201 *42 T 4.3046 8.2968 113.4637 63.8111 70.0567 173.5662 43 I 4.8407 8.2468 126.9009 58.9298 40.2024 174.6930 44 D 4.3483 9.0438 127.1123 54.4221 41.3738 175.8659 45 P 4.4045 0.0000 0.0000 64.9634 31.5914 177.7049 46 S 4.3437 8.3254 112.1628 59.8363 63.4982 174.8351 47 L 4.2915 7.4904 121.6783 54.1548 42.0535 177.7077 48 S 4.3579 9.3843 118.5105 58.0887 65.0046 175.4290 49 Q 3.9734 8.6738 122.0068 59.3402 28.4904 179.5908 50 K 3.9345 7.9684 119.6861 59.5244 32.1105 178.5163 51 E 4.1277 8.3767 117.8448 59.4375 29.4838 178.8742 52 A 4.1510 8.1544 119.9590 55.4852 18.6367 179.5565 53 T 3.9628 8.0326 114.5014 66.3194 68.5853 177.2907 54 E 4.3249 8.0961 119.0699 56.6285 29.7952 179.1078 *56 V 4.0771 7.8042 120.9078 64.3654 33.5914 176.9763 57 H 4.3052 8.5723 116.8913 58.7552 28.3232 177.6799 58 A 3.9994 8.1438 122.4204 55.0065 18.1456 179.5302 59 A 4.0836 8.0526 118.8196 55.5198 18.6079 179.6621 60 Q 4.1038 8.5876 116.9404 59.3656 28.8262 179.4349 61 R 4.0438 8.2802 119.1156 58.9816 30.0600 178.8825 62 F 4.0983 8.4212 120.7224 61.6399 39.3232 176.8405 63 Y 4.3892 8.0863 115.8139 60.3762 37.6356 177.7996 64 A 4.0028 8.5987 122.7335 55.0272 18.3615 179.4116 65 F 3.9262 8.1405 118.9633 61.3292 39.2764 177.4785 66 W 3.8391 7.3846 117.0099 59.6840 28.8204 177.7274 67 D 4.4992 8.3289 118.0073 56.5216 40.7435 177.3421 68 T 4.4088 7.7774 108.6250 60.5463 70.3185 175.6054 69 G 3.3320 8.0070 108.4854 45.8114 0.0000 174.4651 70 K 4.1933 7.7749 120.1351 55.8455 31.8750 177.4548 71 E 4.0816 8.8165 125.7178 58.7700 29.2809 178.7091 72 E 4.0782 8.1084 116.3218 58.7194 29.9523 178.5704 73 L 4.0806 8.0079 120.5805 57.3779 41.5241 178.9710 74 I 3.2977 7.3476 120.3651 63.7344 36.8995 176.4414 75 P 4.2719 0.0000 0.0000 64.7198 31.3226 176.8101 76 Q 4.2841 7.7434 117.1125 56.9470 29.3914 176.2062 77 T 4.3793 8.1161 114.2248 64.1280 70.7868 174.4384 78 V 4.7586 7.2110 111.7213 59.1957 34.8308 175.4522 79 T 4.2851 8.2302 112.5466 60.8875 69.5604 175.7675 80 E 4.0802 8.7007 120.3343 59.0273 29.7153 177.3449 81 N 4.8702 7.9610 115.0884 52.6891 39.0063 174.2405 82 F 4.7020 8.0400 120.9272 58.4376 40.6442 173.9720 83 F 4.4270 7.5293 126.3696 56.2247 42.3475 172.5082 84 D 4.6538 8.2833 126.8426 52.6836 41.5930 176.4752 85 H 4.5933 8.6523 124.2130 56.8896 29.0616 176.0386 86 T 4.5959 8.2778 108.0379 59.8652 68.2354 173.8279 87 L 4.4188 7.4981 122.9099 53.6808 43.2938 174.5038 88 P 4.3189 0.0000 0.0000 63.0039 31.9637 176.5698 89 K 4.2728 8.3867 123.0292 56.1667 32.0317 177.3459 90 G 4.0415 8.9804 112.4160 44.3393 0.0000 173.4573 91 R 4.2097 7.5796 120.2323 54.6996 30.9319 174.4786 92 P 4.3010 0.0000 0.0000 62.2951 32.0686 175.7740 93 Q 4.0629 8.2079 121.9101 57.0449 30.0458 177.3460 94 G 4.1193 8.4338 110.5838 44.8856 0.0000 173.6255 95 T 3.8378 8.6124 108.0773 64.9579 68.4803 175.9315 96 E 4.1561 8.2715 119.9019 58.9715 29.6709 179.1508 97 G 4.2803 8.0270 108.0564 46.7754 0.0000 175.8968 98 L 4.2260 7.7802 121.2106 57.7951 41.4763 179.6331 99 K 4.1607 8.0311 117.9607 59.3367 31.9744 178.9257 100 F 4.1799 8.4656 120.6899 61.3676 39.3123 177.0089 101 A 4.0555 8.4608 120.1062 55.1351 17.8710 179.4083 102 A 4.0185 8.0875 118.7651 55.5880 18.2375 179.9876 103 Q 3.9809 7.5742 115.3766 58.8840 28.9379 178.0857 104 N 4.1841 8.1291 118.4357 56.4748 38.9026 176.5915 105 F 3.8258 8.3211 122.1591 61.4707 39.2940 177.2082 106 R 4.2548 7.6133 114.2728 58.4109 29.8805 178.7279 107 K 4.0804 7.6795 118.1305 58.5645 31.9976 177.6927 108 I 4.1511 7.3829 118.0704 62.1287 38.6351 176.0739 109 V 4.3946 7.2308 119.0973 60.0511 30.9342 172.9371 110 P 4.3835 0.0000 0.0000 64.8855 32.1783 177.3916 111 N 4.7421 7.9382 118.8481 52.2626 37.8972 172.9955 112 I 5.2986 7.7066 121.7350 59.2220 41.9935 173.4053 113 H 5.1570 9.1235 123.7407 54.4130 33.5119 171.7335 114 C 4.6722 9.3365 122.8440 57.4546 33.6548 172.9047 115 E 4.6671 8.6231 124.7270 54.4986 33.6639 175.1430 116 I 4.1076 8.0442 123.5704 60.3633 38.0245 176.3412 117 E 4.0382 9.1572 129.0478 59.1178 30.6774 176.8553 118 D 4.9699 7.6512 116.7576 52.9312 44.9536 173.9210 119 L 5.1670 8.6149 126.8491 53.3349 44.8686 175.3110 120 L 4.8718 9.2211 126.9778 53.0472 44.2983 175.5641 121 V 4.8978 9.0860 125.2956 61.0730 33.9302 174.7842 122 V 4.6107 8.9994 127.0063 60.5715 35.0726 173.9299 123 G 3.8671 8.7809 113.6874 47.3872 0.0000 173.8702 124 D 4.9847 8.8899 123.5455 53.3990 41.3342 174.8057 125 K 5.2525 8.3268 119.0865 54.6027 35.9464 175.3226 126 V 4.9749 8.9579 123.0230 61.5502 34.8703 174.0985 127 T 5.2103 9.0879 124.6216 61.9303 70.7672 173.3166 128 A 5.2234 9.2094 128.1532 50.0488 22.2778 174.6960 129 R 4.9606 8.8612 122.6401 54.5996 32.4578 174.8547 130 L 5.1137 9.1002 126.6485 52.8098 45.1906 175.4014 131 S 4.9341 8.4621 116.0744 56.4923 65.9570 172.7216 132 F 5.0567 8.9716 122.8468 55.7005 41.4095 174.5626 133 T 5.0649 9.2401 113.3838 59.5995 72.3304 174.1300 134 G 4.8765 8.3844 109.3786 46.5438 0.0000 172.0090 135 T 5.1486 8.3169 112.4069 60.7277 72.0913 172.9791 136 H 4.7650 9.2921 121.7817 56.2459 33.9854 172.6840 137 N 3.8451 8.2233 126.9009 55.7149 37.5809 175.5366 138 D 5.0323 8.6043 120.1286 54.0237 40.5854 175.0033 139 K 4.7444 8.2683 121.4860 55.4926 35.8160 176.7133 140 K 4.6913 8.6133 125.5329 55.3223 32.7435 176.1506 141 I 4.7123 8.4582 125.8615 59.0721 39.7142 174.7578 142 D 5.0684 9.5669 125.6537 53.9649 43.5172 174.2069 143 F 5.3636 9.1289 121.3445 55.3863 42.1824 173.1952 144 F 5.6075 9.0198 113.5599 55.2965 41.5031 173.5939 145 A 5.1236 8.9611 119.3991 50.5941 23.2472 175.1268 146 I 5.1976 8.7979 119.3924 59.7291 41.1386 174.5521 147 D 5.6381 9.5564 125.9682 52.6351 45.2347 174.6817 148 I 5.0308 9.6085 123.1955 59.7394 39.8838 174.4332 149 L 5.3084 9.4299 127.6924 53.2588 44.5878 174.8980 150 H 5.3553 9.1789 123.6226 54.8138 31.5815 173.5281 151 V 4.9576 9.0497 128.7924 61.6280 33.8751 175.5555 152 K 4.5510 8.9285 128.9650 53.9465 34.8660 173.1274 153 D 4.5578 9.9008 124.4848 54.5792 38.3811 174.8295 154 G 3.9854 8.5156 103.9466 45.5146 0.0000 173.8500 155 K 4.7613 7.8842 118.4273 54.1356 35.8015 175.2203 156 I 4.5322 8.4450 123.5065 61.5367 37.7613 176.7928 157 T 4.3778 9.3996 118.1865 62.6646 70.7586 174.2988 158 E 4.8219 7.9267 117.7972 55.5983 32.6676 173.6680 159 D 5.1892 7.9972 119.0839 52.3000 43.8237 174.0375 160 W 5.4843 9.5823 118.4165 55.4115 32.8579 174.4041 161 H 5.5723 9.4635 119.6995 54.6521 31.8239 172.7543 162 L 4.6317 9.0657 120.8442 53.9743 45.5653 174.5010 163 E 4.9538 8.6912 125.2165 54.7674 32.3022 176.8553 164 D 4.4576 8.3302 122.4389 53.5817 38.2617 176.8228 165 N 4.0932 7.8027 121.1898 55.2970 39.0065 176.4578 166 L 3.8618 7.7222 121.5650 58.3279 42.1866 178.8374 167 T 4.0365 7.5700 116.3408 65.9459 68.3572 175.9752 168 L 3.7723 7.4702 121.9904 58.3986 41.9309 179.3130 169 K 3.8397 8.2214 118.3853 59.3715 31.8613 179.4970 170 Q 4.2386 8.1642 119.9677 58.6647 28.4669 178.7426 171 Q 4.1658 8.1020 118.0604 58.5927 28.8170 177.9871 172 L 4.2657 7.9164 117.8460 54.4667 41.8704 177.7143 173 G 3.9330 7.8184 107.0815 46.0287 0.0000 174.8484 174 L 4.1585 8.3358 121.4211 56.4346 41.7244 177.4303 175 I 4.4235 7.2975 117.8105 59.0470 39.5230 175.5401 176 A 4.1591 8.4170 124.7800 52.5967 18.2521 177.5807 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 28 E 8.44 4.28 0.00 1.98 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 2.22 2.31 0.00 29 V 8.13 3.85 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 0.75 0.00 0.00 0.93 0.00 0.00 30 Q 9.32 4.28 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 31 L 8.26 4.49 0.00 1.70 1.61 0.94 1.11 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 32 L 8.78 4.16 0.00 1.64 1.54 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.38 4.19 0.00 2.00 1.73 0.00 2.00 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.43 1.02 7.81 34 E 8.36 3.54 0.00 2.12 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 2.21 2.31 0.00 *36 P 0.00 4.17 0.00 2.15 2.04 0.00 3.87 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 2.06 2.14 0.00 37 K 8.37 4.58 0.00 1.73 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.44 7.81 38 P 0.00 4.54 0.00 2.05 2.00 0.00 3.70 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 2.07 2.16 0.00 39 K 8.63 4.27 0.00 1.81 1.84 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 40 A 7.61 4.53 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 *42 T 8.30 4.30 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 1.22 0.00 0.00 43 I 8.25 4.84 1.88 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 1.25 0.62 0.92 0.00 0.00 44 D 9.04 4.35 0.00 2.81 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 45 P 0.00 4.40 0.00 2.08 2.10 0.00 3.73 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 2.03 2.08 0.00 46 S 8.33 4.34 0.00 3.98 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 47 L 7.49 4.29 0.00 1.79 1.65 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.38 4.36 0.00 3.99 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 49 Q 8.67 3.97 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 50 K 7.97 3.93 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 51 E 8.38 4.13 0.00 2.07 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 2.35 2.33 0.00 52 A 8.15 4.15 1.29 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 0.00 0.00 53 T 8.03 3.96 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 0.95 0.00 0.00 54 E 8.10 4.32 0.00 2.21 2.16 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 2.51 2.32 0.00 *56 V 7.80 4.08 2.11 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 1.16 0.00 0.00 0.99 0.00 0.00 57 H 8.57 4.31 0.00 3.29 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.14 4.00 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 59 A 8.05 4.08 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 60 Q 8.59 4.10 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 61 R 8.28 4.04 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 62 F 8.42 4.10 0.00 2.93 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 63 Y 8.09 4.39 0.00 3.21 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 64 A 8.60 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.14 3.93 0.00 2.91 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 66 W 7.38 3.84 0.00 3.33 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 67 D 8.33 4.50 0.00 2.76 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 68 T 7.78 4.41 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 1.25 0.00 0.00 69 G 8.01 3.33 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 0.00 70 K 7.77 4.19 0.00 1.97 2.08 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 71 E 8.82 4.08 0.00 2.02 1.97 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 2.53 2.62 0.00 72 E 8.11 4.08 0.00 2.09 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 2.26 2.33 0.00 73 L 8.01 4.08 0.00 1.82 1.70 1.03 0.60 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 74 I 7.35 3.30 1.68 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.36 0.61 0.00 0.00 75 P 0.00 4.27 0.00 2.12 2.12 0.00 3.77 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 76 Q 7.74 4.28 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 77 T 8.12 4.38 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 78 V 7.21 4.76 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.70 0.00 0.00 79 T 8.23 4.29 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 80 E 8.70 4.08 0.00 2.36 2.13 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 2.28 1.90 0.00 81 N 7.96 4.87 0.00 2.74 2.87 0.00 0.00 6.81 7.45 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 82 F 8.04 4.70 0.00 3.23 2.95 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 83 F 7.53 4.43 0.00 2.83 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.28 4.65 0.00 2.66 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 85 H 8.65 4.59 0.00 2.56 3.34 0.00 5.65 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 86 T 8.28 4.60 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 1.42 0.00 0.00 87 L 7.50 4.42 0.00 1.50 1.57 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.32 0.00 2.27 1.99 0.00 3.75 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 2.20 2.13 0.00 89 K 8.39 4.27 0.00 1.77 1.61 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 90 G 8.98 4.04 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 0.00 0.00 0.00 91 R 7.58 4.21 0.00 1.95 2.01 0.00 3.43 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 92 P 0.00 4.30 0.00 2.17 1.84 0.00 3.55 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.66 0.00 93 Q 8.21 4.06 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 94 G 8.43 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 95 T 8.61 3.84 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 1.19 0.00 0.00 96 E 8.27 4.16 0.00 2.24 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 2.54 2.39 0.00 97 G 8.03 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 0.00 0.00 0.00 0.00 98 L 7.78 4.23 0.00 1.58 1.26 0.36 1.34 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 99 K 8.03 4.16 0.00 2.05 2.06 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.60 7.81 100 F 8.47 4.18 0.00 3.28 3.31 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 0.00 101 A 8.46 4.06 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 0.00 0.00 0.00 0.00 0.00 102 A 8.09 4.02 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 0.00 103 Q 7.57 3.98 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 104 N 8.13 4.18 0.00 1.85 2.45 0.00 0.00 6.84 8.19 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 0.00 105 F 8.32 3.83 0.00 3.22 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 0.00 106 R 7.61 4.25 0.00 2.01 1.99 0.00 3.37 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 107 K 7.68 4.08 0.00 1.74 1.82 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.66 7.81 108 I 7.38 4.15 1.51 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.62 0.74 0.00 0.00 109 V 7.23 4.39 1.82 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 1.07 0.00 0.00 0.65 0.00 0.00 110 P 0.00 4.38 0.00 2.23 2.28 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 111 N 7.94 4.74 0.00 2.92 2.81 0.00 0.00 6.60 7.97 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 0.00 112 I 7.71 5.30 2.33 0.00 0.00 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 1.43 1.09 1.04 0.00 0.00 113 H 9.12 5.16 0.00 3.08 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 C 9.34 4.67 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.62 4.67 0.00 1.75 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 2.13 2.15 0.00 116 I 8.04 4.11 1.83 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.81 0.88 0.00 0.00 117 E 9.16 4.04 0.00 1.91 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 2.22 2.32 0.00 118 D 7.65 4.97 0.00 2.73 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.61 5.17 0.00 1.67 1.52 1.08 1.10 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 0.00 120 L 9.22 4.87 0.00 1.60 1.57 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 V 9.09 4.90 2.11 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 1.12 0.00 0.00 0.98 0.00 0.00 122 V 9.00 4.61 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 0.58 0.00 0.00 0.99 0.00 0.00 123 G 8.78 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 0.00 0.00 0.00 124 D 8.89 4.98 0.00 2.82 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 0.00 125 K 8.33 5.25 0.00 1.75 1.69 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.32 1.44 7.81 126 V 8.96 4.97 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 0.97 0.00 0.00 1.01 0.00 0.00 127 T 9.09 5.21 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 1.27 0.00 0.00 128 A 9.21 5.22 1.22 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 0.00 0.00 129 R 8.86 4.96 0.00 1.89 1.76 0.00 2.91 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 130 L 9.10 5.11 0.00 1.42 0.95 -0.15 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.46 4.93 0.00 3.74 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 0.00 132 F 8.97 5.06 0.00 1.51 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 9.24 5.06 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 1.19 0.00 0.00 134 G 8.38 4.88 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 0.00 0.00 0.00 135 T 8.32 5.15 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 1.25 0.00 0.00 136 H 9.29 4.76 0.00 3.17 3.16 0.00 5.93 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.22 3.85 0.00 2.79 2.16 0.00 0.00 6.89 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.60 5.03 0.00 2.68 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 0.00 139 K 8.27 4.74 0.00 2.05 1.71 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.21 7.81 140 K 8.61 4.69 0.00 1.54 1.60 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.04 7.81 141 I 8.46 4.71 2.10 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 1.14 1.17 1.26 0.00 0.00 142 D 9.57 5.07 0.00 2.69 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 0.00 143 F 9.13 5.36 0.00 3.08 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 0.00 144 F 9.02 5.61 0.00 3.28 3.19 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 0.00 145 A 8.96 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.80 5.20 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 1.41 1.10 1.02 0.00 0.00 147 D 9.56 5.64 0.00 2.95 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 0.00 148 I 9.61 5.03 2.18 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.94 1.01 0.00 0.00 149 L 9.43 5.31 0.00 1.64 1.60 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 150 H 9.18 5.36 0.00 3.49 3.24 0.00 5.54 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 9.05 4.96 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 0.84 0.00 0.00 0.99 0.00 0.00 152 K 8.93 4.55 0.00 1.64 1.61 0.00 2.01 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 1.24 7.81 153 D 9.90 4.56 0.00 2.77 2.74 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 0.00 154 G 8.52 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 0.00 0.00 0.00 155 K 7.88 4.76 0.00 1.78 1.63 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.35 7.81 156 I 8.45 4.53 1.62 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.40 0.87 0.00 0.00 157 T 9.40 4.38 4.22 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 1.20 0.00 0.00 158 E 7.93 4.82 0.00 1.71 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.00 0.00 159 D 8.00 5.19 0.00 3.13 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 0.00 160 W 9.58 5.48 0.00 3.33 3.02 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 0.00 0.00 0.00 161 H 9.46 5.57 0.00 3.44 3.47 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 9.07 4.63 0.00 1.79 1.52 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.69 4.95 0.00 2.00 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 1.98 2.28 0.00 164 D 8.33 4.46 0.00 2.12 2.39 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 0.00 165 N 7.80 4.09 0.00 2.69 2.70 0.00 0.00 6.62 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.72 3.86 0.00 1.70 1.61 0.89 0.84 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 0.00 167 T 7.57 4.04 4.45 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 1.31 0.00 0.00 168 L 7.47 3.77 0.00 0.81 1.39 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.22 3.84 0.00 1.95 1.77 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.36 7.81 170 Q 8.16 4.24 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 171 Q 8.10 4.17 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 172 L 7.92 4.27 0.00 1.63 1.54 0.69 0.84 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 0.00 173 G 7.82 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 0.00 174 L 8.34 4.16 0.00 1.68 1.68 0.83 0.58 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 0.00 175 I 7.30 4.42 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.38 0.89 0.00 0.00 176 A 8.42 4.16 1.22 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.