NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.8370 8.3644 120.3285 53.0669 39.7443 175.2988 3 N 4.4732 8.2842 124.4114 51.1543 41.1945 173.3784 4 S 4.1808 9.5224 119.9409 62.1070 63.1160 176.5781 5 R 4.0762 8.0541 121.3756 58.8788 29.8010 178.3246 6 Y 4.5244 7.9639 120.2430 60.4609 38.8607 177.8303 7 T 3.6437 8.2345 116.8480 66.7886 68.5757 176.1258 8 H 4.1763 8.8302 120.5330 59.0940 29.8604 177.0061 9 F 4.0319 8.6513 122.8827 61.2932 39.2648 177.1215 10 L 3.9567 8.0115 118.5468 58.1883 41.2009 179.5910 11 T 3.8897 7.7785 114.4421 66.6716 68.4413 176.1215 12 Q 4.0557 7.7681 118.3865 57.4159 29.0297 176.1830 13 H 4.6885 8.1076 114.2281 53.7601 31.2835 172.3177 14 Y 5.4947 8.2773 120.1231 55.8623 41.2828 174.5344 15 D 3.9971 8.8524 125.6946 52.4109 43.6380 175.1893 16 A 3.7218 7.9482 127.7612 53.6978 18.6390 177.0419 17 K 4.5972 7.4198 122.1506 53.4038 33.6789 174.3733 18 P 4.5510 0.0000 0.0000 61.6660 32.0039 177.0530 19 Q 4.0702 8.0868 123.6721 53.8845 27.6119 174.7813 20 G 4.0883 8.2762 109.2908 44.7442 0.0000 171.0391 21 R 4.3203 8.0538 118.4093 55.7273 31.6681 174.5367 22 D 5.1464 7.7996 117.7395 51.2064 42.1448 175.9015 23 D 4.5182 8.7654 117.5596 58.0558 40.5913 179.2500 24 R 4.0313 8.0163 117.9167 59.0678 30.0871 178.2338 25 Y 4.0885 8.0296 119.0541 61.0355 38.7359 177.5915 26 C 3.8324 8.1253 117.2550 59.9552 38.5215 176.0366 27 E 4.0193 8.2399 120.0754 59.3639 28.9665 179.4598 28 S 4.0406 8.0725 113.1171 61.4115 62.5890 175.9927 29 I 3.2987 7.5342 121.6443 64.1597 37.5579 177.6159 30 M 4.0147 7.8762 119.7474 58.2664 31.6071 178.7825 31 R 3.8288 7.5275 117.2813 59.6855 30.1678 178.8725 32 R 3.9175 7.8803 116.3964 58.8237 30.0199 178.2483 33 R 4.4217 7.8768 115.7448 54.8209 30.7115 176.4021 34 G 4.0050 8.1642 106.7797 47.3358 0.0000 174.3804 35 L 4.7388 8.4497 114.9711 54.5300 42.4697 178.3405 36 T 4.6459 8.0337 106.0431 61.3944 69.5993 174.2113 37 S 4.5626 7.6530 116.4763 55.8844 62.5589 171.1005 38 P 3.7962 0.0000 0.0000 61.1025 32.6853 177.0009 39 C 4.3426 8.1966 118.9052 57.5991 40.5255 173.9461 40 K 4.1364 8.7642 126.1529 56.4106 31.9714 176.1716 41 D 4.5711 9.0044 127.6149 57.0070 42.0412 175.4702 42 I 5.1570 7.5039 116.0154 59.4476 41.4910 173.4214 43 N 5.5004 8.9610 126.5617 52.9438 42.5108 172.8385 44 T 4.7656 8.6438 122.2612 61.7553 71.4370 173.1141 45 F 4.7454 9.0135 124.6257 55.7800 41.8289 174.6208 46 I 4.6575 9.3510 124.6431 60.1538 39.3743 174.6525 47 H 5.8989 8.5077 122.4187 53.4567 31.9643 173.2754 48 G 4.0276 8.9386 103.6916 44.6132 0.0000 171.9806 49 N 4.8766 8.9077 117.8636 52.1777 39.7731 175.7655 50 K 3.5870 9.0859 124.4303 59.7603 32.0734 178.6030 51 R 3.9531 8.0337 118.3473 59.4591 29.8209 178.5169 52 S 4.3323 7.9965 114.2661 61.4772 63.0555 176.4876 53 I 3.9471 7.8888 122.2174 64.2777 36.9750 178.0831 54 K 3.8320 8.2336 120.2786 59.4948 31.9283 178.5657 55 A 4.1975 8.4908 121.1089 54.9168 17.9863 179.5000 56 I 3.7836 7.7482 118.4400 64.3417 36.8853 177.2376 57 C 4.4736 8.1162 115.9071 57.3683 34.7184 172.9586 58 E 4.7874 7.5931 120.3059 53.7949 32.1080 176.4529 59 N 4.5437 8.5693 117.5836 55.6215 39.3131 176.6187 60 K 3.9425 8.2306 118.7006 59.3988 32.1371 176.7154 61 N 5.1211 8.2824 115.2410 52.7626 40.2062 173.6016 62 G 4.6308 7.9108 100.8848 45.4009 0.0000 172.4453 63 N 5.3405 8.9997 117.5221 50.0936 43.0432 172.6024 64 P 4.8359 0.0000 0.0000 63.7832 32.6256 175.1366 65 H 4.6274 9.3827 120.4735 56.1219 33.3203 173.8742 66 R 3.8436 8.5073 123.7815 57.1494 27.6507 176.6222 67 E 4.6095 8.4850 122.5470 56.9662 30.1162 176.5215 68 N 4.6058 7.7365 112.6413 53.7361 39.2142 173.1906 69 L 5.0655 7.8647 119.1165 53.3388 45.9987 175.2579 70 R 5.1243 9.4625 118.0891 54.5950 34.6123 174.4929 71 I 4.9697 8.4547 122.3898 58.8945 40.8575 175.0175 72 S 4.8328 9.2231 124.3680 58.6621 63.2123 174.5150 73 K 4.3102 9.0276 122.3756 58.9188 32.5795 177.8012 74 S 4.5505 8.7820 114.5395 57.4497 65.1936 173.6897 75 S 4.7648 8.0774 116.5052 57.2902 64.3601 173.6075 76 F 5.0775 8.9909 121.2658 55.6025 43.1462 174.4149 77 Q 5.1777 8.9828 119.8322 56.2258 30.0226 175.5939 78 V 5.0151 9.0723 115.5085 60.2323 37.0990 174.5508 79 T 5.0035 8.7752 118.2319 62.5614 72.4859 173.0642 80 T 4.7633 9.0082 124.1720 62.1673 70.9839 173.1162 81 C 5.3279 9.2702 124.2343 55.2855 41.8189 172.8221 82 K 5.2547 9.0000 123.9984 53.9948 34.5966 175.6602 83 L 3.7733 9.7244 128.5986 55.7650 42.6450 175.4837 84 H 4.6179 8.7043 126.7973 55.6961 30.9922 172.4235 85 G 3.8309 8.5803 111.9986 44.1751 0.0000 173.0226 86 G 3.9630 8.3715 104.9901 45.3374 0.0000 173.1436 87 S 4.1458 8.0206 114.9157 57.8673 62.8877 171.7934 88 P 4.3109 0.0000 0.0000 62.5729 31.6795 175.2359 89 W 4.9665 7.2601 118.4312 53.9500 31.9026 173.7521 90 P 4.5184 0.0000 0.0000 62.1797 31.3956 174.5586 91 P 4.3745 0.0000 0.0000 62.8141 31.9765 176.5311 92 C 4.4321 8.6607 119.8476 55.9379 36.0997 172.9603 93 Q 4.7365 8.0961 124.1333 55.1058 30.2593 174.5923 94 Y 5.2535 8.7328 119.5056 56.3883 42.1805 174.8510 95 R 4.9361 9.4519 121.9406 53.8184 32.4025 175.1217 96 A 5.0649 9.1407 126.4964 51.1481 20.7286 176.6664 97 T 4.5792 9.1194 117.9914 61.7036 71.6169 173.0333 98 A 4.8653 8.7823 129.0439 51.2702 20.1864 176.2601 99 G 4.3055 9.2298 108.6376 45.2314 0.0000 171.3447 100 F 5.9461 8.9476 122.0271 57.6704 41.2449 173.1507 101 R 4.4473 8.0174 121.9393 54.9474 32.6463 173.6736 102 N 5.4355 8.5096 117.0589 52.5160 38.5670 174.4255 103 V 4.6190 8.8977 111.9461 59.5599 36.3743 174.7831 104 V 4.7886 8.1855 121.6674 61.4743 33.9410 174.8878 105 V 5.0107 9.3437 119.7079 59.9319 37.0030 173.5718 106 A 5.0462 8.8539 122.9924 50.5003 21.4791 174.9762 107 C 5.4070 8.7386 118.2619 55.0910 42.3520 173.3036 108 E 4.5675 8.9251 122.2763 55.8432 32.2453 175.3465 109 N 4.1710 9.8879 123.4837 54.4706 36.3025 174.9885 110 G 3.8699 8.3057 101.6542 45.7687 0.0000 173.5952 111 L 4.5028 7.7440 119.8317 51.3643 44.3434 174.2770 112 P 4.4933 0.0000 0.0000 62.9709 31.5896 176.7559 113 V 4.5427 8.4101 114.7367 61.1134 33.5472 175.1113 114 H 5.0109 7.8735 119.9979 54.9460 33.3997 171.4724 115 L 4.8747 8.3871 127.4733 53.2720 43.6230 175.0068 116 D 4.5196 8.6527 127.2172 53.9450 41.2984 175.9238 117 Q 4.7420 8.8053 125.0487 56.3582 29.2477 177.8150 118 S 4.3202 8.1511 113.3049 60.0290 63.0873 174.9446 119 I 3.9385 7.3074 113.1340 60.9746 38.1538 175.6232 120 F 4.5016 7.7145 125.4077 57.7794 38.9680 175.2676 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 D 8.36 4.84 0.00 3.04 3.23 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 3 N 8.28 4.47 0.00 2.89 2.79 0.00 0.00 6.81 6.75 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 4 S 9.52 4.18 0.00 4.11 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 5 R 8.05 4.08 0.00 1.95 2.12 0.00 3.16 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 6 Y 7.96 4.52 0.00 2.93 3.17 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 7 T 8.23 3.64 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 1.22 0.00 0.00 8 H 8.83 4.18 0.00 3.36 3.56 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.65 4.03 0.00 3.26 3.13 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 0.00 0.00 0.00 10 L 8.01 3.96 0.00 1.75 1.70 0.56 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.78 3.89 4.33 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 1.21 0.00 0.00 12 Q 7.77 4.06 0.00 1.52 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 13 H 8.11 4.69 0.00 1.97 2.68 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.28 5.49 0.00 2.82 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 15 D 8.85 4.00 0.00 2.54 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.95 3.72 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 17 K 7.42 4.60 0.00 1.65 1.67 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.29 7.81 18 P 0.00 4.55 0.00 1.29 1.56 0.00 3.15 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.03 0.00 19 Q 8.09 4.07 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.86 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 20 G 8.28 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 21 R 8.05 4.32 0.00 1.66 1.80 0.00 2.86 0.00 0.00 2.92 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.38 0.00 22 D 7.80 5.15 0.00 2.85 2.80 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 0.00 0.00 0.00 23 D 8.77 4.52 0.00 2.82 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 24 R 8.02 4.03 0.00 1.89 2.00 0.00 3.15 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 25 Y 8.03 4.09 0.00 3.09 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 26 C 8.13 3.83 0.00 3.24 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 27 E 8.24 4.02 0.00 2.29 2.03 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 2.51 2.51 0.00 28 S 8.07 4.04 0.00 3.83 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 29 I 7.53 3.30 0.80 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.02 -0.19 0.00 0.00 30 M 7.88 4.01 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 2.36 0.00 31 R 7.53 3.83 0.00 2.05 2.07 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 32 R 7.88 3.92 0.00 1.72 1.93 0.00 3.13 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 33 R 7.88 4.42 0.00 1.83 2.06 0.00 3.62 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 34 G 8.16 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 0.00 0.00 0.00 35 L 8.45 4.74 0.00 1.85 1.59 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.03 4.65 4.31 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 1.36 0.00 0.00 37 S 7.65 4.56 0.00 3.95 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 38 P 0.00 3.80 0.00 1.45 0.51 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 39 C 8.20 4.34 0.00 2.66 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 40 K 8.76 4.14 0.00 1.74 1.70 0.00 1.74 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.35 7.81 41 D 9.00 4.57 0.00 2.83 2.65 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 0.00 0.00 0.00 0.00 42 I 7.50 5.16 1.91 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 1.21 1.05 0.93 0.00 0.00 43 N 8.96 5.50 0.00 2.62 2.23 0.00 0.00 6.95 6.83 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 44 T 8.64 4.77 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 0.30 0.00 0.00 45 F 9.01 4.75 0.00 2.92 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 46 I 9.35 4.66 1.95 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 1.09 0.73 0.81 0.00 0.00 47 H 8.51 5.90 0.00 3.08 3.40 0.00 5.58 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.94 4.03 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 0.00 0.00 0.00 49 N 8.91 4.88 0.00 2.88 2.86 0.00 0.00 6.48 6.93 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 50 K 9.09 3.59 0.00 1.51 1.82 0.00 1.73 0.00 0.00 1.31 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.37 7.81 51 R 8.03 3.95 0.00 1.92 1.95 0.00 3.41 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 52 S 8.00 4.33 0.00 4.24 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 53 I 7.89 3.95 2.03 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 1.33 0.77 0.98 0.00 0.00 54 K 8.23 3.83 0.00 1.94 1.92 0.00 1.36 0.00 0.00 1.37 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.30 7.81 55 A 8.49 4.20 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 56 I 7.75 3.78 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.09 0.93 0.00 0.00 57 C 8.12 4.47 0.00 3.07 3.07 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 58 E 7.59 4.79 0.00 1.97 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 2.19 2.16 0.00 59 N 8.57 4.54 0.00 2.71 2.82 0.00 0.00 7.27 6.72 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 60 K 8.23 3.94 0.00 1.73 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.54 7.81 61 N 8.28 5.12 0.00 2.85 2.81 0.00 0.00 6.93 8.79 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 62 G 7.91 4.63 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 0.00 0.00 0.00 63 N 9.00 5.34 0.00 2.65 2.67 0.00 0.00 7.09 7.55 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 64 P 0.00 4.84 0.00 2.07 2.06 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 65 H 9.38 4.63 0.00 3.18 3.14 0.00 5.90 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.51 3.84 0.00 1.97 1.82 0.00 3.22 0.00 0.00 3.02 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 67 E 8.48 4.61 0.00 2.00 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 2.15 2.29 0.00 68 N 7.74 4.61 0.00 2.79 2.86 0.00 0.00 5.95 7.79 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 69 L 7.86 5.07 0.00 1.87 1.76 0.98 0.89 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 70 R 9.46 5.12 0.00 1.65 1.75 0.00 3.04 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 71 I 8.45 4.97 1.64 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.57 0.90 0.00 0.00 72 S 9.22 4.83 0.00 4.19 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 73 K 9.03 4.31 0.00 1.84 1.90 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.39 7.81 74 S 8.78 4.55 0.00 3.61 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.08 4.76 0.00 2.86 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 76 F 8.99 5.08 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 77 Q 8.98 5.18 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.70 2.42 0.00 78 V 9.07 5.02 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 0.80 0.00 0.00 1.07 0.00 0.00 79 T 8.78 5.00 4.59 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 0.00 0.00 0.00 1.45 0.00 0.00 80 T 9.01 4.76 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 1.19 0.00 0.00 81 C 9.27 5.33 0.00 2.63 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 82 K 9.00 5.25 0.00 1.76 1.76 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.40 7.81 83 L 9.72 3.77 0.00 1.56 1.51 0.27 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.70 4.62 0.00 3.06 3.12 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.58 3.83 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 0.00 0.00 0.00 86 G 8.37 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 87 S 8.02 4.15 0.00 3.85 3.78 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 88 P 0.00 4.31 0.00 1.55 1.94 0.00 3.46 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 89 W 7.26 4.97 0.00 3.29 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 90 P 0.00 4.52 0.00 2.14 2.08 0.00 4.14 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 91 P 0.00 4.37 0.00 2.18 2.07 0.00 3.78 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 1.99 2.00 0.00 92 C 8.66 4.43 0.00 3.11 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 93 Q 8.10 4.74 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 94 Y 8.73 5.25 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 95 R 9.45 4.94 0.00 1.79 1.87 0.00 2.86 0.00 0.00 3.27 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 96 A 9.14 5.06 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 97 T 9.12 4.58 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 98 A 8.78 4.87 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 99 G 9.23 4.31 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 0.00 100 F 8.95 5.95 0.00 3.01 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 0.00 101 R 8.02 4.45 0.00 1.84 1.99 0.00 2.99 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 102 N 8.51 5.44 0.00 2.90 2.99 0.00 0.00 6.18 7.68 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 0.00 103 V 8.90 4.62 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 0.81 0.00 0.00 0.69 0.00 0.00 104 V 8.19 4.79 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 1.09 0.00 0.00 0.71 0.00 0.00 105 V 9.34 5.01 2.03 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 0.80 0.00 0.00 0.87 0.00 0.00 106 A 8.85 5.05 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 0.00 107 C 8.74 5.41 0.00 2.78 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 0.00 108 E 8.93 4.57 0.00 1.88 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 2.17 2.24 0.00 109 N 9.89 4.17 0.00 2.80 2.78 0.00 0.00 7.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.31 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 0.00 111 L 7.74 4.50 0.00 1.56 1.05 0.53 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.49 0.00 0.66 1.76 0.00 3.41 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 113 V 8.41 4.54 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 0.79 0.00 0.00 0.97 0.00 0.00 114 H 7.87 5.01 0.00 3.27 3.13 0.00 5.83 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 0.00 115 L 8.39 4.87 0.00 1.28 1.19 0.62 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.65 4.52 0.00 2.75 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 0.00 117 Q 8.81 4.74 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 118 S 8.15 4.32 0.00 4.01 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 0.00 119 I 7.31 3.94 1.44 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 0.73 0.00 0.00 120 F 7.71 4.50 0.00 3.08 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