NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5387 8.1727 120.1076 56.2469 34.4471 173.6903 3 K 4.8087 9.5374 124.7533 54.2762 34.8199 173.1483 4 I 4.7262 9.0008 128.6415 59.3647 40.4864 173.7630 5 L 4.8446 8.6527 130.2534 54.0190 43.4631 175.0111 6 I 4.7153 8.6301 120.7818 59.1246 40.1415 174.6102 7 V 4.5209 8.4268 127.0199 61.4406 33.5161 173.7621 8 D 4.8700 8.3674 126.3975 53.4647 44.5421 176.0358 9 D 4.9790 8.9706 124.4053 54.6103 40.2862 176.4686 10 E 4.4460 8.9516 121.5599 54.7852 30.2248 176.4534 11 K 4.0992 8.7288 126.0471 59.2737 32.4263 176.5030 12 P 4.2880 0.0000 0.0000 65.7235 31.2302 178.6729 13 I 3.7948 7.7497 117.9084 64.4664 37.2172 177.8720 14 S 4.1443 8.3108 114.1691 61.8737 62.1049 176.1096 15 D 4.4847 8.5881 121.5185 57.4754 40.6141 178.8513 16 I 3.8119 7.8017 120.0411 64.5676 37.0643 178.6633 17 I 3.9184 8.0977 120.6457 64.1201 36.8939 178.2193 18 K 3.9046 8.5791 121.0313 59.5341 32.0173 178.4181 19 F 4.1562 8.4894 120.7210 61.6208 38.8264 176.8715 20 N 4.3074 8.3710 115.9068 56.5976 38.3888 177.4184 21 M 4.3429 8.4552 120.3519 58.5465 32.0110 178.8783 22 T 4.0062 8.1427 116.1449 66.6921 68.4174 176.7154 23 K 3.7205 7.5592 119.0483 59.2975 32.0940 178.4293 24 E 4.0312 7.3985 115.5083 56.6591 29.5368 177.6948 25 G 3.7785 7.8147 107.8389 45.1615 0.0000 173.2838 26 Y 4.7217 6.9750 116.6304 57.3079 39.1658 174.9328 27 E 4.2741 9.1512 124.0808 56.0039 31.0671 175.3338 28 V 4.8777 8.4375 126.3905 61.1341 33.7310 174.6225 29 V 4.6738 8.8580 127.6797 61.2231 34.5225 174.1861 30 T 5.0699 8.4923 115.2402 59.8402 71.7523 172.8935 31 A 4.6105 8.4268 123.9379 50.3460 22.8774 176.6230 32 F 4.9055 10.0880 117.7432 56.4044 40.2551 174.7552 33 N 5.3199 7.5728 118.4852 50.9614 41.1257 175.1367 34 G 4.0931 8.6439 108.0285 47.1739 0.0000 176.0195 35 R 3.8779 7.9910 120.4906 59.5359 30.2940 178.2340 36 E 4.0100 9.1414 118.4685 59.3461 29.3082 179.3306 37 A 3.9691 8.0266 120.7251 55.2500 18.5037 179.7552 38 L 4.0791 7.9120 117.4159 57.9363 41.6988 179.6320 39 E 4.0171 8.3422 118.6107 59.5234 29.3546 179.4739 40 Q 4.0021 8.6651 118.5148 58.7706 28.7801 178.2757 41 F 4.2455 8.5292 122.0407 61.6393 39.1539 177.1589 42 E 3.4543 7.9974 116.4778 59.0840 29.3197 178.8680 43 A 4.0768 7.8799 119.9101 54.6156 18.6265 178.7476 44 E 4.2002 8.4621 115.5159 55.5484 31.5786 176.3015 45 Q 3.1720 7.7154 117.0786 56.1111 26.5914 171.6999 46 P 4.4956 0.0000 0.0000 62.8095 32.5496 177.0245 47 D 4.5898 8.6383 119.4308 56.8344 41.4812 176.5040 48 I 4.5775 7.3606 116.6824 59.8667 41.7191 172.9443 49 I 4.9560 8.4829 128.0606 59.5486 40.4105 174.4005 50 I 4.6326 8.6659 128.1886 59.5887 39.1529 174.4406 51 L 4.7668 8.7126 129.8058 52.8792 44.3182 175.3945 52 D 5.2780 8.7852 126.6182 54.2937 42.3027 176.2090 53 L 4.3893 8.4248 120.9587 56.5533 44.4081 176.5276 54 M 4.5591 8.0491 120.0665 54.4971 30.8956 175.3124 55 L 4.8791 7.8943 122.3927 51.7437 45.8824 175.3851 56 P 4.3630 0.0000 0.0000 63.9272 31.9299 176.1653 57 E 4.0734 9.0315 123.2469 56.4513 27.8608 174.9473 58 I 4.5690 7.0928 117.0873 58.6349 40.9203 175.1784 59 D 4.9669 8.6058 125.3853 52.7352 41.6521 177.5761 60 G 3.6486 8.5928 108.4558 47.2148 0.0000 176.1842 61 L 3.9925 7.9690 120.8062 57.7796 41.6557 179.1839 62 E 3.9319 8.6850 118.6606 59.2214 29.2855 179.4827 63 V 3.4964 7.8752 118.1065 65.9467 31.5135 177.8838 64 A 3.8354 8.1192 120.6009 55.0310 18.0150 179.4247 65 K 3.7846 7.9401 116.9743 60.0296 32.6890 178.5953 66 T 4.0127 8.1756 113.5265 64.9463 67.2089 176.3434 67 I 3.4698 7.9161 122.2419 64.4458 36.8737 178.6033 68 R 4.1666 7.8344 118.7872 58.2806 29.8460 178.8089 69 K 4.1066 7.7132 117.8253 58.7708 32.0578 177.6004 70 T 4.6180 8.1323 106.1785 60.9087 70.2976 173.8849 71 S 4.7324 7.7820 115.9728 56.6955 65.5384 173.5028 72 S 4.7319 8.5904 119.8325 57.8383 63.1476 174.2160 73 V 3.6683 7.5665 120.3890 62.3687 31.4388 174.3288 74 P 4.6089 0.0000 0.0000 63.1221 32.6454 175.1037 75 I 4.8433 9.0086 124.0187 59.3547 40.8782 174.0713 76 L 4.8583 8.8688 129.9394 53.4655 43.7771 175.3630 77 M 4.4936 8.6005 127.1174 55.0389 33.8058 176.0142 78 L 4.8325 8.4917 124.1326 53.8868 45.0334 174.7328 79 S 4.8796 8.7617 120.2379 56.6071 65.8081 174.9192 80 A 4.0195 8.8004 127.1953 54.5443 18.4664 177.8617 81 K 4.1563 8.3061 115.6952 57.2036 31.4848 176.0541 82 D 4.9684 8.5842 122.5438 52.4507 40.2326 176.8045 83 S 4.4600 8.0029 115.6947 57.8972 65.2464 174.3573 84 E 3.8208 8.6887 122.9016 59.5930 29.1843 178.6984 85 F 3.9319 8.2526 119.8185 61.4241 39.4254 176.4545 86 D 4.4284 8.2761 118.2441 57.4308 40.6026 179.1115 87 K 2.7621 7.5869 118.5700 58.9777 31.9297 179.5310 88 V 3.4300 7.6174 118.7816 66.0608 31.3940 178.1688 89 I 3.6508 7.6537 113.2173 63.4534 37.4908 178.1197 90 G 3.8376 8.0895 107.6286 47.9922 0.0000 175.6213 91 L 4.3000 8.0526 123.5906 56.7722 41.4028 179.4883 92 E 3.9493 8.2412 117.9869 59.4002 29.5105 179.1509 93 L 4.1830 8.0606 117.8165 56.0646 41.7591 176.5501 94 G 3.2740 7.2885 108.7450 44.6799 0.0000 174.1086 95 A 4.1126 7.8594 125.2053 52.4170 18.8939 178.0161 96 D 4.7126 8.7104 121.1273 56.0870 41.9446 175.9147 97 D 4.7132 7.7924 116.3057 53.6478 45.1836 173.5393 98 Y 4.9047 8.3586 122.6983 56.5134 41.5449 173.8121 99 V 4.7070 9.0613 127.5352 61.3114 34.6286 174.5099 100 T 5.2093 8.6233 116.6637 60.4172 71.0540 173.7648 101 K 4.9332 8.6691 123.1463 54.4116 33.5671 175.2145 102 P 4.5487 0.0000 0.0000 62.5042 32.1778 175.4936 103 F 5.0471 7.7392 114.2245 54.4286 40.9740 174.9468 104 S 4.3387 8.5666 116.2067 57.8495 63.7156 174.6208 105 N 4.5669 8.8015 126.7855 56.7220 38.4594 177.6188 106 R 3.9854 8.0177 118.8520 59.2229 30.1987 178.5729 107 E 3.9458 8.5673 119.3838 59.0758 29.5879 178.3357 108 L 3.9282 8.2836 120.6347 58.4908 42.0887 178.8894 109 Q 4.0584 8.2564 117.4367 59.1804 28.6630 179.0150 110 A 4.0403 8.2429 121.6170 55.2616 18.3068 179.9602 111 R 3.9490 8.5244 117.1315 59.1397 30.0537 179.4586 112 V 3.5091 8.0589 118.3607 65.8737 31.5425 178.2264 113 K 4.0027 8.3075 118.0704 59.5120 31.9100 179.1327 114 A 4.0164 8.4362 121.3905 55.0523 18.0300 179.6887 115 L 3.8957 7.9634 116.7433 58.0744 41.8411 179.3188 116 L 4.0916 7.8032 117.4931 57.8122 41.5751 179.3385 117 R 4.0086 7.9957 117.8117 58.9294 30.1612 176.7853 118 R 4.2895 7.6348 121.2006 56.4347 30.2668 175.4782 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 K 8.17 4.54 0.00 1.98 1.80 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.52 7.81 3 K 9.54 4.81 0.00 1.81 1.62 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.49 7.81 4 I 9.00 4.73 1.77 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 0.68 0.33 0.82 0.00 0.00 5 L 8.65 4.84 0.00 1.78 1.51 0.93 0.59 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 6 I 8.63 4.72 1.78 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 1.06 0.36 0.85 0.00 0.00 7 V 8.43 4.52 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 0.84 0.00 0.00 0.84 0.00 0.00 8 D 8.37 4.87 0.00 2.76 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 9 D 8.97 4.98 0.00 2.91 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 10 E 8.95 4.45 0.00 2.18 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 0.00 2.32 2.35 0.00 11 K 8.73 4.10 0.00 1.82 1.82 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.65 7.81 12 P 0.00 4.29 0.00 2.23 2.11 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 13 I 7.75 3.79 2.07 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 1.60 1.23 1.09 0.00 0.00 14 S 8.31 4.14 0.00 3.98 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 0.00 15 D 8.59 4.48 0.00 3.08 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.80 3.81 2.13 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.05 1.00 0.00 0.00 17 I 8.10 3.92 1.92 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 1.43 0.98 0.89 0.00 0.00 18 K 8.58 3.90 0.00 1.94 2.13 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.52 7.81 19 F 8.49 4.16 0.00 3.27 3.34 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 20 N 8.37 4.31 0.00 3.15 2.96 0.00 0.00 7.12 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 21 M 8.46 4.34 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.98 0.00 22 T 8.14 4.01 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 1.17 0.00 0.00 23 K 7.56 3.72 0.00 1.70 1.68 0.00 1.38 0.00 0.00 0.99 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.90 0.87 7.81 24 E 7.40 4.03 0.00 1.71 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 2.58 2.55 0.00 25 G 7.81 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 0.00 0.00 0.00 26 Y 6.97 4.72 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.15 4.27 0.00 2.09 1.85 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 2.32 2.28 0.00 28 V 8.44 4.88 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 0.85 0.00 0.00 0.98 0.00 0.00 29 V 8.86 4.67 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 1.03 0.00 0.00 0.93 0.00 0.00 30 T 8.49 5.07 3.66 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 0.00 0.00 1.19 0.00 0.00 31 A 8.43 4.61 1.14 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 0.00 0.00 32 F 10.09 4.91 0.00 3.25 3.12 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 33 N 7.57 5.32 0.00 3.13 2.96 0.00 0.00 6.09 6.92 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 34 G 8.64 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 35 R 7.99 3.88 0.00 1.91 2.11 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 36 E 9.14 4.01 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 37 A 8.03 3.97 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 38 L 7.91 4.08 0.00 1.78 1.81 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.34 4.02 0.00 2.16 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 2.50 0.00 40 Q 8.67 4.00 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 41 F 8.53 4.25 0.00 3.03 3.32 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 42 E 8.00 3.45 0.00 1.94 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 2.51 2.46 0.00 43 A 7.88 4.08 1.33 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 44 E 8.46 4.20 0.00 2.06 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 2.26 2.47 0.00 45 Q 7.72 3.17 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 46 P 0.00 4.50 0.00 2.36 2.06 0.00 3.91 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 2.14 2.09 0.00 47 D 8.64 4.59 0.00 2.63 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 48 I 7.36 4.58 1.76 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 1.21 1.16 0.69 0.00 0.00 49 I 8.48 4.96 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.85 0.00 0.00 50 I 8.67 4.63 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.63 0.71 0.00 0.00 51 L 8.71 4.77 0.00 1.55 1.35 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.79 5.28 0.00 2.94 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 53 L 8.42 4.39 0.00 1.63 1.67 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 M 8.05 4.56 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 55 L 7.89 4.88 0.00 1.72 1.52 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.36 0.00 2.21 1.99 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 57 E 9.03 4.07 0.00 2.16 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 2.21 2.28 0.00 58 I 7.09 4.57 1.77 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 1.48 0.86 0.91 0.00 0.00 59 D 8.61 4.97 0.00 3.14 2.81 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 60 G 8.59 3.65 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 0.00 0.00 0.00 61 L 7.97 3.99 0.00 1.87 1.74 0.99 1.03 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 62 E 8.69 3.93 0.00 2.13 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 2.34 2.47 0.00 63 V 7.88 3.50 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 1.00 0.00 0.00 1.00 0.00 0.00 64 A 8.12 3.84 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 65 K 7.94 3.78 0.00 1.86 2.00 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 66 T 8.18 4.01 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 1.28 0.00 0.00 67 I 7.92 3.47 1.70 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.22 0.28 0.00 0.00 68 R 7.83 4.17 0.00 1.92 1.96 0.00 3.26 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 69 K 7.71 4.11 0.00 1.92 1.89 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 70 T 8.13 4.62 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 1.26 0.00 0.00 71 S 7.78 4.73 0.00 4.15 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 72 S 8.59 4.73 0.00 4.00 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 73 V 7.57 3.67 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 0.56 0.00 0.00 1.07 0.00 0.00 74 P 0.00 4.61 0.00 2.04 1.98 0.00 3.71 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 2.16 2.10 0.00 75 I 9.01 4.84 1.78 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 0.97 0.92 0.80 0.00 0.00 76 L 8.87 4.86 0.00 1.56 1.40 0.84 0.67 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 77 M 8.60 4.49 0.00 1.35 1.32 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 78 L 8.49 4.83 0.00 1.38 1.24 0.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.76 4.88 0.00 3.76 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 80 A 8.80 4.02 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 81 K 8.31 4.16 0.00 1.93 2.17 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.24 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.60 7.81 82 D 8.58 4.97 0.00 2.78 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 83 S 8.00 4.46 0.00 4.06 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 84 E 8.69 3.82 0.00 2.05 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 2.36 2.35 0.00 85 F 8.25 3.93 0.00 3.20 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 86 D 8.28 4.43 0.00 2.88 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 87 K 7.59 2.76 0.00 1.50 1.47 0.00 1.50 0.00 0.00 1.39 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.86 7.81 88 V 7.62 3.43 1.89 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 0.98 0.00 0.00 0.87 0.00 0.00 89 I 7.65 3.65 1.62 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.20 -0.16 0.00 0.00 90 G 8.09 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 91 L 8.05 4.30 0.00 1.78 1.70 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.24 3.95 0.00 1.99 1.95 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 2.30 2.30 0.00 93 L 8.06 4.18 0.00 1.80 1.70 0.90 0.85 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 94 G 7.29 3.27 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 0.00 95 A 7.86 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.71 4.71 0.00 2.61 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 97 D 7.79 4.71 0.00 2.67 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.36 4.90 0.00 2.99 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 99 V 9.06 4.71 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 0.97 0.00 0.00 0.92 0.00 0.00 100 T 8.62 5.21 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 1.39 0.00 0.00 101 K 8.67 4.93 0.00 1.74 1.91 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.69 1.44 7.81 102 P 0.00 4.55 0.00 2.13 2.03 0.00 3.75 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 2.00 1.96 0.00 103 F 7.74 5.05 0.00 3.14 3.25 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 0.00 104 S 8.57 4.34 0.00 3.95 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 0.00 105 N 8.80 4.57 0.00 2.88 2.98 0.00 0.00 7.15 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 0.00 106 R 8.02 3.99 0.00 1.86 2.02 0.00 3.33 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 107 E 8.57 3.95 0.00 2.08 2.15 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 2.35 2.36 0.00 108 L 8.28 3.93 0.00 2.12 1.85 0.69 1.07 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 0.00 109 Q 8.26 4.06 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 110 A 8.24 4.04 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 0.00 111 R 8.52 3.95 0.00 1.95 1.97 0.00 3.15 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 112 V 8.06 3.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.87 0.00 0.00 113 K 8.31 4.00 0.00 2.05 1.89 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.70 7.81 114 A 8.44 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.96 3.90 0.00 1.71 1.71 0.87 1.24 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 0.00 116 L 7.80 4.09 0.00 1.77 1.76 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.00 4.01 0.00 2.05 2.13 0.00 3.25 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 118 R 7.63 4.29 0.00 1.83 1.77 0.00 3.34 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00