NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4977 8.3049 118.7933 54.2449 33.1012 174.4184 2 E 4.5308 8.4670 123.2010 52.2545 32.0685 174.1240 3 S 4.1739 9.3118 119.1622 58.1869 63.9132 174.7260 4 K 4.0635 8.7331 128.3901 59.3691 32.3037 179.3420 5 R 3.9534 7.9023 114.4222 58.1777 29.5667 177.2082 6 N 4.8183 7.8318 114.9677 53.1260 38.9775 174.5642 7 K 4.8339 7.6411 117.8996 53.6543 34.7203 174.5685 8 P 4.6857 0.0000 0.0000 63.6726 32.4067 175.3101 9 G 3.9182 8.0660 107.4648 45.9965 0.0000 171.6821 10 K 5.0582 8.4186 120.7391 54.0432 34.0881 175.6780 11 A 4.6228 9.2361 130.4766 52.4805 19.3119 176.2852 12 T 4.8993 9.2084 111.3722 60.1733 73.1906 173.5489 13 G 3.8563 9.0919 107.3759 45.2893 0.0000 173.1660 14 K 4.2260 9.2185 116.4479 55.2109 33.8227 178.6135 15 G 4.2781 8.4129 107.3577 44.8393 0.0000 172.5623 16 K 4.6620 8.1095 115.9253 53.5935 36.1785 174.3012 17 P 4.5329 0.0000 0.0000 63.2140 31.6986 176.3156 18 V 4.5028 7.9300 114.4602 59.6279 35.8771 175.1215 19 G 4.0872 8.2493 110.5244 44.1658 0.0000 173.9175 20 D 4.7336 8.6374 117.4382 54.5477 39.9156 176.7942 21 K 4.6165 7.9580 119.6174 56.4682 33.3722 177.9473 22 W 4.4860 8.4596 120.8213 61.0705 27.7181 177.6510 23 L 3.4296 7.1857 118.3769 56.7226 40.6429 178.7533 24 D 4.4372 7.9897 119.3478 57.4654 40.7570 178.3475 25 D 4.4633 8.1304 118.2668 56.6495 40.7907 178.3295 26 A 4.5211 7.9743 121.2636 54.2591 18.1328 178.7160 27 G 4.0162 7.6415 102.1654 44.0621 0.0000 173.1637 28 K 4.7849 7.2740 119.5643 55.3516 37.0511 178.8915 29 D 4.1611 8.1821 120.0356 56.3146 39.5012 174.9748 30 S 4.5563 9.1408 122.9588 59.0077 62.7665 174.2389 31 G 3.9228 8.2017 108.0606 44.6557 0.0000 172.9826 32 A 4.7098 8.7208 120.4779 50.4190 20.2645 175.8837 33 P 4.8191 0.0000 0.0000 62.0186 33.3192 175.8963 34 I 3.9109 8.2177 120.9372 60.4555 38.1790 174.4586 35 P 4.5393 0.0000 0.0000 62.3892 31.9082 176.9119 36 D 4.8362 8.6634 124.8233 56.3322 39.0217 179.5680 37 R 4.0450 7.7377 118.6493 58.7172 30.1242 178.8360 38 I 3.5330 7.4915 119.0571 64.3131 37.1777 177.8603 39 A 4.0408 8.0232 121.6026 55.5588 17.9256 179.3674 40 D 4.3761 8.1929 116.4392 57.5469 40.9378 178.9422 41 K 4.1491 7.6911 117.6000 58.7099 32.4145 178.6324 42 L 4.5606 8.0652 118.3713 54.7861 42.3360 176.9373 43 R 4.3060 7.7829 119.4623 58.0332 30.2966 176.3638 44 D 4.7067 9.0221 123.4973 54.3744 39.7008 174.3868 45 K 4.2802 7.8951 119.3360 55.6170 33.7793 175.3579 46 E 4.8160 8.1660 123.5633 54.8936 31.3190 175.0034 47 F 4.9468 8.7239 123.9192 55.6179 42.7771 176.4087 48 K 4.1456 9.4935 121.0314 58.9668 32.4606 177.7361 49 S 5.1736 7.6986 113.1132 57.2156 66.2199 176.2665 50 F 4.2354 9.1943 124.7020 61.6610 38.9834 176.9266 51 D 4.3556 8.3089 118.1192 57.2746 40.6612 178.0928 52 D 4.3739 8.3173 118.6103 57.2714 41.2296 177.8253 53 F 3.2365 8.4335 121.0019 61.1701 39.2866 177.0001 54 A 3.3653 7.7797 120.2434 54.6128 18.0462 179.2500 55 K 4.1842 8.2461 119.3219 59.1255 32.2270 178.6238 56 A 4.1827 7.6968 122.0508 54.4541 18.2610 179.6130 57 V 3.0348 7.0759 116.6758 65.9938 31.4929 178.4623 58 W 4.5197 7.7410 118.3612 59.6434 28.7660 178.4691 59 E 4.0286 8.5168 119.0155 59.5657 28.6912 179.2682 60 E 4.0722 8.0987 117.5606 59.0424 29.8396 179.2728 61 V 3.7896 7.9247 118.7560 66.1278 31.4980 178.3621 62 S 4.2703 8.0674 112.4420 61.0829 62.9016 175.8646 63 K 4.3834 7.7208 119.8479 56.3544 32.4120 176.0709 64 D 4.6820 7.5425 119.9094 51.8460 40.9911 174.9149 65 P 4.2836 0.0000 0.0000 66.3046 31.7248 179.5598 66 E 4.0666 8.2578 113.1489 58.7239 29.8189 180.4124 67 L 4.4230 8.0507 118.2554 56.2209 42.1463 177.7672 68 S 4.7944 7.9965 112.2902 58.0740 64.0344 176.3360 69 K 4.0368 7.6809 120.1071 59.8273 32.3588 177.7455 70 N 4.5219 8.1492 116.2059 54.9514 39.3060 174.8740 71 L 4.1649 7.5513 118.9940 54.6023 42.3091 177.2767 72 N 4.7006 8.5296 121.0393 51.6845 39.7096 174.3372 73 P 4.2601 0.0000 0.0000 66.0285 31.3743 179.1455 74 S 4.1589 8.0693 113.2714 61.7163 62.8096 176.3700 75 N 4.4728 8.6774 119.2107 56.1085 38.2308 177.5281 76 K 3.9744 8.5281 120.4495 59.7357 31.9429 179.4847 77 S 4.1253 7.8356 114.1815 61.4235 63.0818 176.4056 78 S 4.2592 8.0396 115.6683 61.7160 62.1950 176.8199 79 V 4.2574 7.8602 116.1991 63.9592 31.0043 178.7516 80 S 4.1982 7.9123 114.2492 60.9095 62.6812 175.7791 81 K 4.1289 7.4960 118.7810 55.8805 31.9114 177.6170 82 G 3.9763 8.2086 108.7623 45.8953 0.0000 173.2610 83 Y 4.6054 7.1266 116.9273 56.6143 39.1476 174.8955 84 S 2.7900 8.0196 116.9968 56.6646 63.2923 172.2889 85 P 4.5124 0.0000 0.0000 62.5691 32.5799 175.3495 86 F 4.5672 9.4227 121.3713 57.7577 39.4240 175.7672 87 T 4.0664 8.2826 114.2946 59.6709 70.3387 172.7174 88 P 4.2870 0.0000 0.0000 62.5824 32.2206 177.3525 89 K 3.9325 8.9597 123.0292 59.8368 31.9496 178.0718 90 N 4.5598 8.1240 112.5333 54.3800 37.3840 175.0037 91 Q 4.4529 8.2857 118.1913 55.8603 29.7510 175.5038 92 Q 4.5176 7.7534 117.5100 55.1316 29.9247 175.8706 93 V 4.2515 8.3729 119.3224 61.7598 34.5567 176.9189 94 G 3.8621 8.5103 118.7617 47.0407 0.0000 173.7092 95 G 3.7197 8.9374 112.4094 45.5612 0.0000 173.4069 96 R 4.3111 8.2790 121.1885 54.9092 29.6111 176.6983 97 K 4.5361 8.2773 120.7959 55.5815 34.0721 176.2542 98 V 4.4798 7.0176 111.2144 58.8843 34.6553 175.1241 99 Y 4.2950 7.9160 120.1800 58.5859 38.4697 175.8225 100 E 4.8909 9.6348 122.1313 54.6446 33.1060 174.8388 101 L 5.2304 8.6135 122.7099 53.7744 43.3455 175.5406 102 H 5.0154 9.3866 120.5772 54.2090 33.4230 172.0402 103 H 4.9413 8.5629 117.0715 55.0628 29.3309 174.8494 104 D 4.4317 9.2656 125.1936 57.0558 41.5710 176.1194 105 K 4.1929 8.9509 120.5016 54.7989 32.8945 174.7859 106 P 4.5761 0.0000 0.0000 62.4662 32.2586 177.4750 107 I 4.1843 8.5227 121.8234 63.9762 37.1880 178.6714 108 S 4.2145 7.9946 113.2999 60.4164 62.9873 174.6639 109 Q 4.4413 8.0878 118.9898 55.7044 28.7413 176.1334 110 G 3.9456 8.1622 105.7836 45.0221 0.0000 174.8211 111 G 4.0207 8.2115 109.1266 44.8321 0.0000 173.3099 112 E 4.5594 8.3033 121.8254 54.8608 31.0051 177.0308 113 V 3.2554 8.2626 121.7964 65.5324 31.9824 176.6429 114 Y 4.2410 7.6697 114.7684 57.3876 38.5641 174.3512 115 D 4.8821 7.7358 120.5201 53.3161 40.8668 176.7685 116 M 4.2598 9.0543 127.6070 57.3023 32.1400 177.2984 117 D 4.5663 8.5853 118.0068 55.3155 41.5534 176.2286 118 N 4.9062 8.3574 118.1189 53.1718 40.0019 173.6250 119 I 5.0884 7.7189 116.9997 59.4833 40.2515 175.0470 120 R 4.9140 9.1888 124.6189 54.4277 34.3815 174.5500 121 V 4.9175 9.3014 123.9018 61.9139 33.0829 174.7968 122 T 5.4588 9.1326 118.4944 59.7720 72.4794 173.7148 123 T 4.1642 8.5321 113.0810 61.0376 70.0438 173.6747 124 P 4.2558 0.0000 0.0000 65.7718 31.2592 178.8272 125 K 3.9059 8.2064 118.3734 59.5235 32.0943 178.8388 126 R 3.8574 8.0204 118.9410 59.6282 29.9487 177.7563 127 H 4.0711 8.3397 118.0504 59.5478 29.7405 177.2926 128 I 3.6802 7.9071 121.4194 64.2862 36.6681 178.0985 129 D 4.3497 8.1035 119.1083 57.4089 40.8432 178.6344 130 I 3.8216 7.8392 120.1875 64.6906 37.2599 177.9891 131 H 4.0652 8.3141 119.2096 59.4014 29.4837 177.5489 132 R 4.0450 8.2536 119.0493 58.5948 29.9330 178.3394 133 G 3.8455 7.5540 103.1459 45.0772 0.0000 173.8410 134 K 4.1531 7.6843 125.3916 56.6413 32.0453 176.7434 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 1 M 8.30 4.50 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 E 8.47 4.53 0.00 2.01 1.87 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 2.21 2.36 0.00 3 S 9.31 4.17 0.00 3.85 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 4 K 8.73 4.06 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.41 7.81 5 R 7.90 3.95 0.00 1.91 1.99 0.00 2.94 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 6 N 7.83 4.82 0.00 2.86 2.93 0.00 0.00 6.82 7.96 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 7 K 7.64 4.83 0.00 1.85 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.65 7.81 8 P 0.00 4.69 0.00 1.95 2.05 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 9 G 8.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.42 5.06 0.00 1.70 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.46 7.81 11 A 9.24 4.62 1.55 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 0.00 0.00 12 T 9.21 4.90 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 1.30 0.00 0.00 13 G 9.09 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 0.00 0.00 0.00 14 K 9.22 4.23 0.00 1.82 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 15 G 8.41 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 16 K 8.11 4.66 0.00 1.77 1.63 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 17 P 0.00 4.53 0.00 2.02 1.97 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 18 V 7.93 4.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.54 0.00 0.00 19 G 8.25 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 20 D 8.64 4.73 0.00 2.88 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 21 K 7.96 4.62 0.00 2.20 2.09 0.00 1.48 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.52 7.81 22 W 8.46 4.49 0.00 3.67 3.53 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 23 L 7.19 3.43 0.00 1.18 0.99 0.28 -0.48 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 24 D 7.99 4.44 0.00 2.92 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 25 D 8.13 4.46 0.00 3.02 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 26 A 7.97 4.52 1.57 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 0.00 0.00 27 G 7.64 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 28 K 7.27 4.78 0.00 1.94 1.90 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.41 7.81 29 D 8.18 4.16 0.00 2.87 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 0.00 0.00 0.00 30 S 9.14 4.56 0.00 3.87 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 31 G 8.20 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.72 4.71 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.82 0.00 2.11 2.12 0.00 3.92 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 2.04 2.04 0.00 34 I 8.22 3.91 1.89 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 1.41 1.27 0.86 0.00 0.00 35 P 0.00 4.54 0.00 1.70 1.42 0.00 3.21 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 0.56 0.82 0.00 36 D 8.66 4.84 0.00 2.89 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 37 R 7.74 4.04 0.00 1.73 1.92 0.00 3.07 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 38 I 7.49 3.53 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.86 0.69 0.00 0.00 39 A 8.02 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 40 D 8.19 4.38 0.00 2.81 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 41 K 7.69 4.15 0.00 1.83 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.69 7.81 42 L 8.07 4.56 0.00 1.84 2.01 0.53 0.66 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 43 R 7.78 4.31 0.00 1.89 1.93 0.00 3.34 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 44 D 9.02 4.71 0.00 2.89 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 45 K 7.90 4.28 0.00 1.75 1.28 0.00 1.66 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.48 7.81 46 E 8.17 4.82 0.00 1.84 1.64 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 2.09 2.35 0.00 47 F 8.72 4.95 0.00 2.82 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 48 K 9.49 4.15 0.00 1.85 1.94 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.56 7.81 49 S 7.70 5.17 0.00 4.26 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 50 F 9.19 4.24 0.00 2.92 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 51 D 8.31 4.36 0.00 2.85 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 52 D 8.32 4.37 0.00 2.95 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 53 F 8.43 3.24 0.00 2.96 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 54 A 7.78 3.37 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.25 4.18 0.00 2.01 2.06 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.57 7.81 56 A 7.70 4.18 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 57 V 7.08 3.03 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 0.10 0.00 0.00 -0.18 0.00 0.00 58 W 7.74 4.52 0.00 3.47 3.28 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 59 E 8.52 4.03 0.00 2.17 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 2.34 2.47 0.00 60 E 8.10 4.07 0.00 1.97 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 2.49 2.39 0.00 61 V 7.92 3.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 1.05 0.00 0.00 62 S 8.07 4.27 0.00 4.12 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 63 K 7.72 4.38 0.00 1.89 1.89 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.61 7.81 64 D 7.54 4.68 0.00 2.82 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 65 P 0.00 4.28 0.00 2.22 2.10 0.00 3.64 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 66 E 8.26 4.07 0.00 1.99 1.86 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 2.23 1.90 0.00 67 L 8.05 4.42 0.00 1.68 1.82 0.56 0.05 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 68 S 8.00 4.79 0.00 4.11 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 69 K 7.68 4.04 0.00 1.94 2.30 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.42 7.81 70 N 8.15 4.52 0.00 2.90 2.92 0.00 0.00 7.01 7.78 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 71 L 7.55 4.16 0.00 2.04 1.63 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.53 4.70 0.00 2.92 2.98 0.00 0.00 6.25 7.76 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 73 P 0.00 4.26 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 74 S 8.07 4.16 0.00 3.96 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 75 N 8.68 4.47 0.00 2.94 2.91 0.00 0.00 7.04 7.21 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 76 K 8.53 3.97 0.00 2.06 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.80 7.81 77 S 7.84 4.13 0.00 4.02 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 78 S 8.04 4.26 0.00 4.09 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 79 V 7.86 4.26 2.40 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 1.20 0.00 0.00 1.06 0.00 0.00 80 S 7.91 4.20 0.00 3.93 3.90 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 81 K 7.50 4.13 0.00 0.79 1.05 0.00 1.65 0.00 0.00 1.42 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.35 7.81 82 G 8.21 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.13 4.61 0.00 3.01 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 84 S 8.02 2.79 0.00 3.43 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 85 P 0.00 4.51 0.00 2.27 2.09 0.00 2.20 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 86 F 9.42 4.57 0.00 2.83 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 87 T 8.28 4.07 3.81 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 0.06 0.00 0.00 88 P 0.00 4.29 0.00 2.31 2.02 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 89 K 8.96 3.93 0.00 1.76 1.81 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.44 7.81 90 N 8.12 4.56 0.00 2.84 2.92 0.00 0.00 5.89 7.39 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 91 Q 8.29 4.45 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 92 Q 7.75 4.52 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 93 V 8.37 4.25 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 0.94 0.00 0.00 0.91 0.00 0.00 94 G 8.51 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 0.00 0.00 0.00 95 G 8.94 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.28 4.31 0.00 1.94 2.01 0.00 3.06 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 97 K 8.28 4.54 0.00 1.80 1.97 0.00 1.68 0.00 0.00 2.04 0.00 0.00 2.92 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.65 1.43 7.81 98 V 7.02 4.48 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 -0.24 0.00 0.00 0.68 0.00 0.00 99 Y 7.92 4.30 0.00 2.76 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 0.00 100 E 9.63 4.89 0.00 1.93 1.73 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 2.22 2.41 0.00 101 L 8.61 5.23 0.00 1.84 1.89 0.74 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.39 5.02 0.00 3.06 3.16 0.00 5.60 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 0.00 103 H 8.56 4.94 0.00 2.90 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.27 4.43 0.00 2.66 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 0.00 105 K 8.95 4.19 0.00 1.79 1.78 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.39 7.81 106 P 0.00 4.58 0.00 2.19 1.93 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 107 I 8.52 4.18 1.73 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.75 0.80 0.00 0.00 108 S 7.99 4.21 0.00 3.95 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 0.00 109 Q 8.09 4.44 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 110 G 8.16 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.21 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 0.00 112 E 8.30 4.56 0.00 1.95 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 2.27 2.27 0.00 113 V 8.26 3.26 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 -0.15 0.00 0.00 0.68 0.00 0.00 114 Y 7.67 4.24 0.00 3.12 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.74 4.88 0.00 2.90 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 0.00 116 M 9.05 4.26 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.63 0.00 117 D 8.59 4.57 0.00 2.80 2.72 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 0.00 0.00 0.00 118 N 8.36 4.91 0.00 3.01 2.87 0.00 0.00 6.85 7.35 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 0.00 119 I 7.72 5.09 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.87 1.08 0.00 0.00 120 R 9.19 4.91 0.00 1.73 1.95 0.00 3.32 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 121 V 9.30 4.92 2.23 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 1.11 0.00 0.00 1.10 0.00 0.00 122 T 9.13 5.46 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 1.33 0.00 0.00 123 T 8.53 4.16 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 1.25 0.00 0.00 124 P 0.00 4.26 0.00 2.26 2.12 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 125 K 8.21 3.91 0.00 1.88 1.97 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 8.02 3.86 0.00 2.01 1.95 0.00 3.22 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 127 H 8.34 4.07 0.00 3.32 3.47 0.00 5.84 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 0.00 128 I 7.91 3.68 2.07 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 1.53 0.58 0.92 0.00 0.00 129 D 8.10 4.35 0.00 2.77 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 0.00 130 I 7.84 3.82 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.89 0.00 0.00 131 H 8.31 4.07 0.00 3.03 3.39 0.00 5.78 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 0.00 132 R 8.25 4.04 0.00 1.85 1.96 0.00 3.21 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 133 G 7.55 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 0.00 0.00 0.00 134 K 7.68 4.15 0.00 1.92 1.67 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.40 7.81