NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2679 8.1749 117.3714 62.5949 70.6886 173.5143 4 I 4.2082 7.4640 121.5511 58.4673 39.0559 173.5642 5 N 4.4302 9.6378 125.8687 52.2568 39.7685 173.3770 6 P 4.2729 0.0000 0.0000 63.2937 32.0332 175.6377 7 T 4.1878 8.0312 118.1586 62.4820 69.8582 176.1881 8 N 4.5833 8.0934 125.6712 52.6177 36.4458 174.8636 9 Y 4.2134 7.6813 122.3823 60.7040 38.2311 177.8897 10 T 3.9215 7.9048 116.5014 66.6081 68.5779 176.2466 11 L 3.9095 7.8337 121.7281 57.9263 42.1717 178.2295 12 L 4.2031 8.1110 121.9535 57.7080 42.1060 179.2747 13 K 4.0844 8.3506 118.0358 59.0744 31.9274 179.6083 14 K 4.0600 7.6009 118.8447 59.4962 31.6447 179.4154 15 Q 4.0446 8.4600 118.5074 58.6577 28.6145 178.7237 16 A 4.0089 8.4512 122.1751 55.0326 18.0911 179.5181 17 A 3.9610 7.8855 118.9141 55.5407 18.2557 180.1141 18 S 4.1485 7.9373 112.5265 61.3852 62.9238 176.3550 19 L 4.1493 7.8878 122.5048 57.6718 42.2250 178.3731 20 I 4.2951 7.2569 110.4031 59.6236 38.0052 174.6774 21 E 4.0622 7.2092 120.3697 58.0554 29.8222 176.5678 22 D 4.5010 8.8135 123.3992 54.7404 38.6039 173.2621 23 E 4.7771 7.7261 117.9535 55.0710 31.9166 175.6653 24 H 4.8792 8.4011 114.8127 54.7166 31.6549 173.5604 25 H 4.0726 8.2455 118.9328 56.2614 30.2557 174.7763 26 M 3.8915 8.4735 128.5043 58.9830 32.0644 178.0130 27 I 3.6641 7.5124 119.0324 64.2155 37.2505 178.1533 28 A 3.9737 8.1931 121.1890 55.1463 18.2263 179.6081 29 I 3.5934 7.8951 118.3554 64.5628 37.2093 178.7379 30 L 3.4047 8.0918 120.1994 57.4856 41.1072 179.8032 31 S 4.0809 8.2574 115.3495 61.8330 62.8589 176.5586 32 N 4.3493 8.3108 119.2219 56.6311 38.2849 177.5212 33 M 4.2030 8.5505 120.7579 58.1690 31.9796 178.9439 34 S 4.1865 8.4308 114.6353 61.3520 63.1673 176.5103 35 A 3.9367 7.7975 124.3849 54.5585 17.9946 179.3281 36 L 3.8926 8.0576 118.8934 58.3770 42.3273 179.2644 37 L 4.0234 8.0186 118.8715 57.8512 41.3399 178.9851 38 N 4.3023 7.9009 115.9105 56.7694 38.9589 176.1783 39 D 4.5634 8.1463 118.4682 55.6540 41.1782 176.6192 40 N 4.8881 7.6393 114.5629 52.5068 40.0257 174.0114 41 L 4.6201 7.7131 118.8931 52.7962 43.6909 175.7246 42 D 4.6061 8.4725 122.5528 53.9106 43.0434 175.2599 43 Q 3.5165 8.5684 119.5458 56.9833 25.7432 173.3684 44 I 4.8880 7.3331 108.8697 59.1889 41.1944 174.9492 45 N 5.0981 9.0188 117.7361 52.7004 39.3500 174.2764 46 W 5.3757 8.1103 129.2117 56.2122 34.7293 173.6377 47 V 4.8213 7.7136 125.9884 60.9975 34.4454 174.1303 48 G 3.6161 8.2807 111.7582 45.8193 0.0000 171.6703 49 F 5.7276 8.6748 117.1558 55.9761 43.5372 173.9864 50 Y 5.1543 8.9750 117.6411 56.3527 41.8190 174.5454 51 L 5.0447 9.1191 123.3114 52.9459 44.7054 175.6956 52 L 4.8411 8.6832 126.0554 54.4549 41.9537 176.0337 53 E 4.5518 8.9784 126.5249 55.8052 33.4813 176.0846 54 Q 3.3043 9.3612 122.6359 57.7099 25.9798 173.0795 55 N 4.2905 8.2539 106.9065 53.5917 36.8170 174.2153 56 E 4.7868 7.6493 112.6265 55.3560 33.6651 173.6570 57 L 4.9880 8.7523 121.1687 54.0507 43.7277 175.8778 58 I 5.0680 8.9631 123.8355 58.9347 40.5105 174.7651 59 L 3.6363 8.8403 129.1754 56.2245 42.3406 176.5679 60 G 4.5251 8.5246 113.7583 44.1310 0.0000 170.2841 61 P 4.6065 0.0000 0.0000 63.5212 32.4094 175.5845 62 F 4.8610 7.8333 116.3558 56.1251 41.1005 173.0701 63 Q 4.1666 10.1369 118.8159 54.2892 30.9528 176.1182 64 G 3.9293 8.0867 112.8037 45.5236 0.0000 171.5545 65 H 4.9100 8.4893 118.3504 54.2411 29.9199 173.3629 66 P 4.6237 0.0000 0.0000 63.3463 31.6407 175.5078 67 A 4.6753 7.9978 122.3410 49.8849 22.4035 175.6444 68 C 4.2316 8.3182 117.1081 60.2515 28.8779 174.7056 69 V 3.8312 8.6700 124.4034 65.8639 32.3151 175.1223 70 H 5.3764 8.2188 115.9818 54.0220 30.9115 174.1946 71 I 4.4441 8.5096 123.3777 58.6749 40.2273 173.5066 72 P 4.6352 0.0000 0.0000 62.1114 32.6557 176.3735 73 I 3.8764 8.1769 123.8996 62.8156 37.4866 176.9110 74 G 3.9567 9.2976 113.7645 45.0834 0.0000 173.1211 75 K 4.3502 7.8935 120.1609 55.3598 33.8710 177.3965 76 G 3.9123 8.7302 111.1466 44.9932 0.0000 174.2787 77 V 2.8510 7.6578 116.9830 65.9505 30.7068 177.7084 78 C 4.0679 7.6834 115.8392 62.8216 28.0741 176.2656 79 G 3.7668 7.7057 107.9968 47.4607 0.0000 175.6499 80 T 4.7842 8.5036 119.1567 65.6428 68.3135 176.8141 81 A 4.2768 7.7196 123.9503 54.2553 18.1739 179.9144 82 V 3.5670 7.3537 115.9663 65.8936 31.7646 178.3264 83 S 4.1133 7.9892 112.8847 61.4775 62.8124 175.8888 84 E 4.1581 8.5097 118.9002 56.1995 29.5548 176.7235 85 R 4.0390 7.6077 116.8300 56.5153 28.1986 176.0325 86 R 4.8076 7.6316 111.3517 54.5244 32.7542 174.1898 87 T 4.2942 8.4863 116.1787 64.1242 69.3566 173.5584 88 Q 4.6276 9.1408 125.1357 54.1545 31.3036 174.7020 89 V 4.6159 8.5722 124.3233 61.2781 33.5603 174.5413 90 V 4.4829 9.2445 129.5072 61.2671 32.9292 176.2012 91 A 4.1655 8.8603 129.6761 54.1214 20.1451 176.2690 92 D 4.7910 7.8959 114.9064 53.4285 42.1621 175.8667 93 V 3.5833 8.6789 122.2719 64.2826 31.6848 178.5668 94 H 4.5025 8.4372 115.9939 57.8123 28.6034 175.9829 95 Q 4.4843 8.0943 117.4119 55.3579 28.8849 174.8194 96 F 4.3074 7.8266 121.5639 56.1132 40.2999 175.3183 97 K 3.5295 8.2429 128.3711 58.4453 32.5659 176.6757 98 G 4.0218 8.8104 114.1690 46.7673 0.0000 172.1429 99 H 4.4295 8.0790 117.4257 56.4811 31.0074 175.4972 100 I 4.2201 7.8928 120.8116 58.0866 36.6601 173.3212 101 A 4.3056 7.3917 127.6296 52.3212 22.1195 176.0559 102 C 4.5332 8.5573 122.5596 58.9220 32.0466 172.5042 103 D 4.6125 7.7908 118.3854 52.0796 41.0071 176.9254 104 A 4.1097 8.7092 130.4771 54.6704 18.4103 177.3114 105 N 4.8202 8.9250 113.3830 53.1479 38.9207 174.4250 106 S 4.7431 7.7361 114.4724 56.9837 62.3478 172.8631 107 K 4.5097 9.2363 128.3486 56.9187 34.6951 176.7261 108 S 5.1440 7.8417 112.5772 56.7383 66.7136 172.7136 109 E 5.3768 9.2119 120.9828 55.3544 33.7492 173.4835 110 I 4.9834 8.6745 123.9710 59.2491 41.8118 173.9080 111 V 4.8465 8.8860 128.6978 61.0479 34.8134 173.9892 112 V 4.7390 8.6190 128.2573 60.1801 33.6187 173.0825 113 P 4.7714 0.0000 0.0000 62.9790 32.3567 175.4974 114 I 4.7262 8.7670 122.9375 59.7850 39.4262 174.7297 115 F 5.4008 9.8177 125.6096 55.7800 42.1166 175.4957 116 K 4.4195 8.8991 122.1744 56.2693 34.7725 176.0072 117 D 4.4487 9.6035 127.1558 55.8286 38.3200 173.7023 118 D 4.6054 8.5772 113.0524 54.9278 38.9031 173.8572 119 K 4.7649 7.9020 118.4185 54.2926 34.8266 175.7732 120 I 3.8282 8.2907 124.2988 61.2963 37.5307 175.7812 121 I 4.3048 8.6531 118.1613 60.1559 39.7299 175.3662 122 G 3.9680 7.0828 107.9636 47.0802 0.0000 171.8353 123 V 5.0851 8.2475 111.4533 59.8439 36.7609 174.0626 124 L 4.8656 9.1017 125.6242 53.5703 44.0174 174.5748 125 D 5.3371 9.1796 126.0751 52.5673 44.3735 174.3961 126 I 5.3543 8.7684 126.0299 59.7035 41.2563 174.0950 127 D 5.7635 9.4377 125.3172 51.6399 43.2550 174.3326 128 A 5.2914 9.3398 120.4880 49.4869 22.8162 175.0699 129 P 4.6926 0.0000 0.0000 62.4975 31.8478 175.7899 130 I 4.6267 7.1892 111.6231 59.1025 40.5933 174.8531 131 T 4.3279 8.2290 110.9148 61.5147 69.8038 173.4020 132 D 4.4268 8.6401 119.4964 55.2166 39.2349 175.8574 133 R 3.7257 7.5604 119.0190 58.4764 30.2600 176.4030 134 F 5.0768 7.8229 116.3638 55.9414 40.5170 175.3376 135 D 5.0432 8.7683 126.4859 51.7140 43.0368 176.5761 136 D 4.4061 8.5838 117.8656 57.6002 40.6276 178.4144 137 N 4.2854 8.2853 116.9796 56.8882 39.0103 176.2908 138 D 4.3989 8.7633 120.4502 57.2925 41.0021 178.6351 139 K 3.7900 8.0925 119.8942 59.5699 32.2084 178.0622 140 E 3.8064 8.1723 119.2745 59.9351 29.5831 178.7217 141 H 4.0518 7.7847 115.7805 58.4550 28.4668 177.8491 142 L 4.0899 8.0680 121.4261 57.5404 41.4604 179.2007 143 E 3.9714 8.2827 118.5361 59.1337 29.4779 179.1731 144 A 4.0358 7.9410 121.0023 55.1239 18.3799 179.7878 145 I 3.7716 7.8039 118.5027 64.4051 37.0540 178.8334 146 V 3.7216 8.0694 119.5033 65.9676 31.3731 178.3166 147 K 4.1987 8.1596 118.2379 59.3390 31.5838 179.4270 148 I 3.7882 7.4163 119.4051 64.2593 37.3542 178.2117 149 I 3.8879 7.5966 120.4334 64.4534 37.0053 178.2796 150 E 4.0380 8.5378 119.6726 59.2683 28.9875 179.3606 151 K 3.9884 7.8795 119.0993 59.4377 32.3099 178.4086 152 Q 4.2401 7.8961 116.8908 57.8626 28.9005 177.5556 153 L 4.2791 7.7733 118.1170 56.0738 42.1217 176.3840 154 A 4.1822 7.9162 126.0966 52.4884 18.3045 176.9813 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 3 T 8.17 4.27 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 1.19 0.00 0.00 4 I 7.46 4.21 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.85 0.00 0.00 5 N 9.64 4.43 0.00 2.69 2.73 0.00 0.00 7.08 8.17 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 6 P 0.00 4.27 0.00 2.00 1.99 0.00 3.63 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 2.02 2.11 0.00 7 T 8.03 4.19 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 8 N 8.09 4.58 0.00 2.72 2.64 0.00 0.00 7.23 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 9 Y 7.68 4.21 0.00 2.85 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 10 T 7.90 3.92 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 11 L 7.83 3.91 0.00 1.76 1.79 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.11 4.20 0.00 1.91 1.93 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.35 4.08 0.00 1.92 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.83 7.81 14 K 7.60 4.06 0.00 2.14 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 15 Q 8.46 4.04 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 16 A 8.45 4.01 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 17 A 7.89 3.96 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 18 S 7.94 4.15 0.00 3.88 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 19 L 7.89 4.15 0.00 1.93 1.79 0.93 0.83 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 20 I 7.26 4.30 1.84 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 1.65 0.50 0.89 0.00 0.00 21 E 7.21 4.06 0.00 2.22 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 2.31 2.28 0.00 22 D 8.81 4.50 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.73 4.78 0.00 2.04 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 2.37 2.35 0.00 24 H 8.40 4.88 0.00 3.06 3.26 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.25 4.07 0.00 3.25 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.47 3.89 0.00 2.01 1.97 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 2.54 2.53 0.00 27 I 7.51 3.66 1.92 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 1.51 0.80 0.91 0.00 0.00 28 A 8.19 3.97 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 I 7.90 3.59 1.97 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 1.48 0.78 0.81 0.00 0.00 30 L 8.09 3.40 0.00 1.58 1.43 0.24 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.26 4.08 0.00 3.97 3.86 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 32 N 8.31 4.35 0.00 2.85 2.85 0.00 0.00 7.13 7.74 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 33 M 8.55 4.20 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.81 0.00 34 S 8.43 4.19 0.00 4.14 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 0.00 35 A 7.80 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 3.89 0.00 1.79 1.85 0.93 0.57 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 37 L 8.02 4.02 0.00 1.74 1.72 0.93 0.44 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 38 N 7.90 4.30 0.00 2.79 2.95 0.00 0.00 7.32 8.56 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 39 D 8.15 4.56 0.00 2.81 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 40 N 7.64 4.89 0.00 2.70 2.76 0.00 0.00 6.82 7.70 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 41 L 7.71 4.62 0.00 1.75 1.64 1.06 0.93 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 42 D 8.47 4.61 0.00 2.57 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 43 Q 8.57 3.52 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 44 I 7.33 4.89 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 1.11 0.00 0.00 45 N 9.02 5.10 0.00 2.79 3.00 0.00 0.00 6.64 9.28 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 46 W 8.11 5.38 0.00 3.41 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.71 4.82 2.06 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 0.63 0.00 0.00 0.79 0.00 0.00 48 G 8.28 3.62 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 0.00 0.00 0.00 49 F 8.67 5.73 0.00 2.93 2.94 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 50 Y 8.97 5.15 0.00 3.00 2.85 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 51 L 9.12 5.04 0.00 1.58 1.58 0.97 0.47 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 52 L 8.68 4.84 0.00 1.59 1.59 0.91 0.79 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 53 E 8.98 4.55 0.00 2.01 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 2.23 2.46 0.00 54 Q 9.36 3.30 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 55 N 8.25 4.29 0.00 2.86 2.89 0.00 0.00 7.00 7.66 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 56 E 7.65 4.79 0.00 2.05 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 2.41 2.34 0.00 57 L 8.75 4.99 0.00 1.70 1.67 0.78 0.95 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 58 I 8.96 5.07 1.92 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 1.16 0.99 0.89 0.00 0.00 59 L 8.84 3.64 0.00 1.63 1.62 0.59 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.52 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 2.16 1.97 0.00 3.70 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 2.08 2.09 0.00 62 F 7.83 4.86 0.00 1.73 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 63 Q 10.14 4.17 0.00 1.72 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.10 2.40 0.00 64 G 8.09 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 65 H 8.49 4.91 0.00 3.35 3.35 0.00 5.75 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 66 P 0.00 4.62 0.00 2.14 2.15 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 67 A 8.00 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.32 4.23 0.00 2.92 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 69 V 8.67 3.83 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 0.88 0.00 0.00 0.97 0.00 0.00 70 H 8.22 5.38 0.00 3.03 3.44 0.00 5.89 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 71 I 8.51 4.44 1.65 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.59 0.71 0.00 0.00 72 P 0.00 4.64 0.00 2.05 1.95 0.00 3.56 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 2.09 2.11 0.00 73 I 8.18 3.88 1.86 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 1.33 0.54 0.90 0.00 0.00 74 G 9.30 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 0.00 0.00 0.00 75 K 7.89 4.35 0.00 1.86 1.70 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.48 7.81 76 G 8.73 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.66 2.85 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 0.77 0.00 0.00 0.09 0.00 0.00 78 C 7.68 4.07 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 79 G 7.71 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 4.78 4.56 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 0.00 0.00 0.00 1.39 0.00 0.00 81 A 7.72 4.28 1.36 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 0.00 0.00 0.00 82 V 7.35 3.57 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 1.01 0.00 0.00 0.92 0.00 0.00 83 S 7.99 4.11 0.00 4.05 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 84 E 8.51 4.16 0.00 2.06 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 2.36 2.49 0.00 85 R 7.61 4.04 0.00 2.00 2.18 0.00 3.19 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 86 R 7.63 4.81 0.00 1.95 2.01 0.00 2.81 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 87 T 8.49 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 1.23 0.00 0.00 88 Q 9.14 4.63 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 89 V 8.57 4.62 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 0.89 0.00 0.00 0.95 0.00 0.00 90 V 9.24 4.48 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 1.07 0.00 0.00 0.95 0.00 0.00 91 A 8.86 4.17 1.46 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 0.00 0.00 92 D 7.90 4.79 0.00 2.68 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 93 V 8.68 3.58 1.53 0.00 0.00 0.00 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 0.84 0.00 0.00 94 H 8.44 4.50 0.00 3.34 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.09 4.48 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 96 F 7.83 4.31 0.00 3.02 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 97 K 8.24 3.53 0.00 1.50 1.48 0.00 1.93 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.42 7.81 98 G 8.81 4.02 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 0.00 0.00 0.00 99 H 8.08 4.43 0.00 3.43 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.89 4.22 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.93 0.00 0.00 101 A 7.39 4.31 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 0.00 102 C 8.56 4.53 0.00 2.87 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 0.00 103 D 7.79 4.61 0.00 2.63 2.49 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 0.00 104 A 8.71 4.11 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 0.00 105 N 8.93 4.82 0.00 2.87 2.85 0.00 0.00 6.35 7.14 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 0.00 106 S 7.74 4.74 0.00 3.76 3.89 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 0.00 107 K 9.24 4.51 0.00 1.79 1.76 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.32 1.48 7.81 108 S 7.84 5.14 0.00 4.00 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 0.00 109 E 9.21 5.38 0.00 2.03 1.72 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 2.12 2.46 0.00 110 I 8.67 4.98 1.31 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.36 -0.35 0.00 0.00 111 V 8.89 4.85 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 0.98 0.00 0.00 0.86 0.00 0.00 112 V 8.62 4.74 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 0.99 0.00 0.00 0.89 0.00 0.00 113 P 0.00 4.77 0.00 1.77 1.96 0.00 3.85 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 2.24 2.13 0.00 114 I 8.77 4.73 1.95 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.03 0.94 0.00 0.00 115 F 9.82 5.40 0.00 2.80 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 0.00 116 K 8.90 4.42 0.00 1.77 1.63 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.43 7.81 117 D 9.60 4.45 0.00 2.87 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 0.00 118 D 8.58 4.61 0.00 2.87 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 0.00 119 K 7.90 4.76 0.00 1.94 1.69 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.61 7.81 120 I 8.29 3.83 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.23 0.69 0.00 0.00 121 I 8.65 4.30 1.85 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 1.26 1.28 0.95 0.00 0.00 122 G 7.08 3.97 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 0.00 0.00 0.00 123 V 8.25 5.09 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 0.80 0.00 0.00 1.04 0.00 0.00 124 L 9.10 4.87 0.00 1.85 1.68 0.42 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.18 5.34 0.00 2.91 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 0.00 126 I 8.77 5.35 1.61 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 1.23 0.57 1.18 0.00 0.00 127 D 9.44 5.76 0.00 2.94 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 0.00 128 A 9.34 5.29 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 0.00 129 P 0.00 4.69 0.00 2.20 2.19 0.00 3.48 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 130 I 7.19 4.63 1.83 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 1.38 0.64 0.88 0.00 0.00 131 T 8.23 4.33 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 1.20 0.00 0.00 132 D 8.64 4.43 0.00 2.72 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 0.00 133 R 7.56 3.73 0.00 1.47 1.41 0.00 2.96 0.00 0.00 3.02 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 134 F 7.82 5.08 0.00 3.13 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 0.00 135 D 8.77 5.04 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 0.00 136 D 8.58 4.41 0.00 2.73 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 0.00 137 N 8.29 4.29 0.00 2.86 3.11 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 0.00 138 D 8.76 4.40 0.00 3.12 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 0.00 139 K 8.09 3.79 0.00 1.85 2.03 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 140 E 8.17 3.81 0.00 1.97 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 2.03 2.23 0.00 141 H 7.78 4.05 0.00 1.81 2.51 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.07 4.09 0.00 1.68 1.67 0.92 0.94 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 0.00 143 E 8.28 3.97 0.00 2.14 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 2.33 2.55 0.00 144 A 7.94 4.04 1.35 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 0.00 0.00 0.00 145 I 7.80 3.77 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 1.00 0.00 0.00 146 V 8.07 3.72 2.30 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 1.26 0.00 0.00 1.07 0.00 0.00 147 K 8.16 4.20 0.00 2.04 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.64 1.77 7.81 148 I 7.42 3.79 2.11 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 1.54 0.70 0.93 0.00 0.00 149 I 7.60 3.89 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.84 0.00 0.00 150 E 8.54 4.04 0.00 2.21 2.06 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 2.55 2.60 0.00 151 K 7.88 3.99 0.00 1.91 2.06 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 152 Q 7.90 4.24 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 153 L 7.77 4.28 0.00 1.62 1.71 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.92 4.18 1.32 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