NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9878 8.3549 109.7409 45.8075 0.0000 172.6491 5 S 4.4608 8.6199 113.4123 59.8409 63.9292 174.9647 6 R 3.8235 8.2327 120.5494 59.4367 31.1013 177.2739 7 R 3.6404 8.0117 116.5723 59.4595 29.7033 176.2800 8 Y 4.4406 7.8953 112.1203 57.7772 38.2360 174.8866 9 D 4.5618 7.8616 121.4412 53.8617 41.4241 176.4924 10 S 4.1713 8.7473 123.0774 59.4854 63.8380 173.9296 11 R 3.7923 8.5928 120.5241 57.1566 26.7524 176.8814 12 T 4.0901 7.8218 106.8198 63.1208 69.9377 175.4958 13 T 4.5969 7.2748 112.0897 61.4075 69.3185 173.0864 14 I 4.4976 7.3351 113.6760 59.7062 41.0242 174.8339 15 F 4.8095 8.4257 119.7203 56.8445 40.0182 175.9464 16 S 4.5888 8.3918 118.4016 56.3844 64.2034 173.5650 17 P 4.4302 0.0000 0.0000 65.3399 31.0146 177.4020 18 E 4.1927 8.1090 115.2506 56.2271 29.8161 176.4052 19 G 3.6135 8.5566 107.3278 46.4011 0.0000 173.6644 20 R 4.5996 7.7251 117.0168 53.8631 33.1189 175.7870 21 L 4.4727 8.0261 120.1604 54.0999 42.1952 177.0122 22 Y 3.5938 7.3446 120.0860 61.6618 37.7683 178.8598 23 Q 3.9211 8.0042 117.8431 59.1792 28.9183 179.5807 24 V 3.5571 7.5673 118.4712 66.0924 31.7465 177.6927 25 E 3.9930 8.0957 118.2897 59.8566 29.3241 179.1241 26 Y 4.4731 8.2079 116.7056 60.8977 37.8159 178.1632 27 A 4.0810 8.5079 122.3139 55.1254 18.5138 179.6468 28 L 3.9296 8.3866 117.9876 57.8920 41.4501 179.2891 29 E 3.9512 8.0593 118.3925 59.2353 29.8212 178.6022 30 S 4.3031 8.1469 113.1002 61.5795 62.4916 176.0639 31 I 3.7145 8.0633 123.0569 64.3897 36.6601 178.1830 32 S 4.2474 7.9924 113.2486 60.4730 62.7386 174.4688 33 H 4.7144 7.8055 118.0646 55.4874 29.3024 174.5857 34 A 4.3756 8.0147 123.5456 50.7008 19.3608 177.8071 35 G 3.9247 8.4183 108.0263 45.5456 0.0000 173.6762 36 T 4.2111 8.4393 119.1379 63.2580 69.7730 173.2473 37 A 5.2180 8.5499 126.4646 50.2155 22.0077 175.3121 38 I 4.6576 9.5469 122.6855 59.3758 41.5024 174.8581 39 G 4.4218 8.6626 111.3742 44.5822 0.0000 171.8748 40 I 4.7164 8.8407 125.3288 59.6892 41.0090 173.8960 41 M 4.7273 8.8491 126.9278 54.0578 33.3323 175.0860 42 A 4.7874 8.8035 129.4708 49.8952 21.8844 176.4185 43 S 4.3108 8.6493 113.6719 60.7584 63.1290 174.9822 44 D 4.8949 9.0447 118.6694 50.6917 39.7120 176.1352 45 G 4.0272 6.9389 107.8262 46.3869 0.0000 171.3746 46 I 5.1400 7.6396 118.5115 59.5303 41.3375 175.2799 47 V 4.4911 8.8980 124.9498 61.0501 34.5242 174.1586 48 L 5.2782 8.6336 126.3357 52.9471 44.3552 175.6615 49 A 4.8939 9.1913 125.0628 50.1757 22.6302 174.5197 50 A 4.9728 8.4049 121.1771 50.4160 22.3915 175.0249 51 E 4.4016 9.1716 122.8966 54.6490 31.4032 175.6332 52 R 4.2918 8.5556 126.6549 55.6246 30.2882 176.2176 53 K 3.9873 8.5514 125.2148 56.7810 32.9384 172.7163 54 V 3.2780 8.5679 132.3851 62.5831 32.5868 171.3793 55 T 4.6405 7.9891 114.3232 60.7756 71.2592 172.2416 56 S 4.7435 8.1423 115.6668 56.5566 65.9809 174.9763 57 T 3.9021 8.4990 119.8848 66.6117 68.2148 176.0507 58 L 4.1807 7.6428 118.9051 55.8185 42.0406 177.1600 59 L 3.9097 7.2138 121.7534 54.7907 42.3372 175.8993 60 E 4.1701 8.6634 127.2042 55.7599 29.4538 175.6407 61 Q 4.2573 8.5232 127.9968 57.7509 29.8532 177.3920 62 D 4.3366 8.1552 116.9816 57.0414 41.0069 176.9888 63 T 4.4167 7.8064 112.8342 63.1512 68.7575 173.9939 63A S 4.6669 7.0403 116.4109 57.2359 64.0919 174.0621 64 T 4.0114 7.6633 116.5617 63.3023 70.8884 172.9090 65 E 4.8295 8.7837 122.9556 55.3928 31.3460 176.3077 66 K 4.6546 7.8189 116.6404 55.9311 35.8448 175.5069 67 L 5.1595 7.7106 119.3130 53.0730 43.5969 175.7377 68 Y 4.7794 8.8075 121.3728 55.8706 41.9756 174.8492 69 K 4.5482 8.8307 124.4776 55.7624 33.2544 176.0619 70 L 4.4054 8.5960 125.6916 55.9629 42.8790 175.2687 71 N 4.9942 8.0081 114.0991 52.4054 41.9439 172.9530 72 D 4.6732 8.6505 116.2801 55.3431 41.4958 177.0070 73 K 4.7401 7.9139 116.6333 55.7655 34.8084 175.4938 74 I 5.2975 7.6746 120.6727 59.6014 41.5369 174.0637 75 A 5.1829 9.2478 126.7229 50.6747 23.3187 175.1675 76 V 4.9369 8.8210 111.0634 59.5675 36.5066 174.5597 77 A 5.3038 8.9198 124.7627 50.3336 21.4115 175.7375 78 V 4.7603 8.9654 122.2984 61.1489 34.0131 175.2757 79 A 4.3453 9.2084 128.1035 52.4389 21.5773 174.3492 80 G 3.6658 8.6564 112.2332 45.0672 0.0000 172.3718 81 L 4.0919 8.5258 124.9584 54.9214 41.9545 177.8149 82 T 3.8648 8.8784 121.3113 66.7860 68.4075 176.1856 83 A 3.9974 8.0343 121.9134 55.4182 18.3465 179.2497 84 D 4.4498 8.1277 116.5794 57.3295 40.9040 178.6093 85 A 3.9326 7.9615 121.2380 55.3360 18.3472 179.3700 86 E 3.6204 8.3047 117.2575 59.5604 29.3679 179.6864 87 I 3.6891 7.5482 119.2675 64.5450 37.2012 178.5134 88 L 3.8175 7.5595 119.2013 57.6179 41.3112 179.5341 89 I 3.4814 8.3621 120.2543 64.4130 37.1061 177.8982 90 N 4.2609 8.2790 118.1315 56.9832 38.7763 177.0061 91 T 3.9241 7.7837 110.7514 64.5537 68.8057 176.4825 92 A 3.9723 8.0788 123.8513 55.1143 18.2776 179.7632 93 R 3.9024 8.2730 116.8811 59.4149 29.9910 179.4719 94 I 3.7445 7.7595 119.5704 64.5993 37.1633 177.8558 95 H 4.2094 8.4537 118.9402 59.1580 29.6145 177.0914 96 A 3.9495 8.0053 122.5241 55.4161 18.1839 179.6745 97 Q 3.9990 7.9231 116.3914 59.1162 28.6934 178.7822 98 N 4.3238 8.5582 117.9071 56.3558 38.4977 176.7523 99 Y 3.9047 8.1055 120.8460 60.5823 38.9284 177.7768 100 L 4.4814 8.1756 122.5882 57.7067 41.9842 178.9305 101 K 4.0039 8.1433 118.4254 59.6728 32.1461 178.7025 102 T 3.7445 7.6790 115.3958 65.9869 68.4819 175.5770 103 Y 4.5066 7.5602 114.9679 56.3458 39.5189 175.1895 104 N 4.3767 8.5737 116.7748 53.5074 36.8221 173.9938 105 E 4.8395 7.7345 114.5362 54.8691 34.0064 175.1231 106 D 4.6505 8.5886 122.2589 53.9940 41.6039 176.2542 107 I 2.7517 8.0992 123.0872 59.7221 38.5875 174.6407 108 P 4.1932 0.0000 0.0000 62.3014 33.0270 177.3120 109 V 3.4858 8.3415 121.8714 66.3706 31.4028 178.2940 110 E 3.7678 7.9488 118.1755 59.2183 29.6141 178.4109 111 I 3.5801 7.5846 119.3834 64.4469 37.2124 177.9813 112 L 3.9607 7.4631 121.0618 57.9809 41.9110 179.1664 113 V 2.9604 7.3967 118.3228 65.6704 31.2888 178.0103 114 R 3.8225 8.4715 118.8751 59.2299 29.9160 178.4619 115 R 3.8228 7.8325 118.2603 59.4757 30.1239 178.5091 116 L 3.9832 7.7518 118.5641 58.0229 41.5584 179.7897 117 S 4.2547 8.2524 115.0623 61.6240 62.7840 176.4894 118 D 4.4453 8.3319 121.9560 57.2247 40.2682 178.8809 119 I 3.8451 7.4743 119.7339 64.2817 36.9747 178.2282 120 K 4.2566 8.0835 119.3679 59.6254 31.8955 179.0133 121 Q 4.1792 8.6781 120.3611 59.0955 28.7718 178.6476 122 G 3.6743 8.1510 106.5150 48.1618 0.0000 174.9742 123 Y 3.9368 7.8067 115.7028 59.5761 37.9142 177.7268 124 T 4.3309 7.8225 116.0202 63.9052 69.3559 174.8911 125 Q 4.4491 7.9175 119.7002 55.9384 30.9873 174.1635 126 H 4.6530 7.7181 110.5508 55.2740 29.6064 172.9187 127 G 3.8202 8.7852 108.0061 44.0914 0.0000 174.9195 128 G 3.9984 7.8374 105.5930 46.3237 0.0000 173.0950 129 L 4.7577 6.9025 117.0859 51.9797 44.0654 176.8970 130 R 4.0779 8.1795 117.1096 55.5242 30.0406 174.8084 131 P 4.5391 0.0000 0.0000 61.9414 32.3740 175.6490 132 F 4.3871 8.4871 118.4769 57.2146 40.0904 177.5753 133 G 4.0333 8.7435 115.6877 45.0634 0.0000 172.7699 134 V 4.8989 7.2768 118.0706 61.4545 35.7720 175.0502 135 S 4.6505 8.5936 121.5991 56.7030 66.5629 173.0383 136 F 5.3549 8.7680 121.7794 55.6805 42.0886 174.7150 137 I 4.5186 8.3582 122.2292 59.8853 39.7554 174.0282 138 Y 5.0650 8.9195 124.7805 56.3074 39.7308 174.9863 139 A 4.7175 9.4020 126.5627 50.3610 21.4791 175.2750 140 G 5.0305 8.5083 107.9633 45.8058 0.0000 170.4608 141 Y 4.9853 8.3722 119.8120 55.9846 41.8313 173.6990 142 D 4.6417 7.2607 123.5059 51.9951 42.4027 174.3628 143 D 4.5591 8.4746 117.7879 53.5030 39.4801 176.4162 144 R 4.0933 8.3596 126.2940 56.7800 30.0685 175.4466 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 4 G 8.35 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 5 S 8.62 4.46 0.00 4.03 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 6 R 8.23 3.82 0.00 1.83 1.91 0.00 3.17 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 7 R 8.01 3.64 0.00 1.49 1.15 0.00 2.21 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.36 0.00 8 Y 7.90 4.44 0.00 2.96 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 9 D 7.86 4.56 0.00 2.68 2.70 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 0.00 0.00 0.00 10 S 8.75 4.17 0.00 3.91 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 11 R 8.59 3.79 0.00 2.00 1.95 0.00 3.11 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 12 T 7.82 4.09 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 1.21 0.00 0.00 13 T 7.27 4.60 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 1.19 0.00 0.00 14 I 7.34 4.50 1.94 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 1.63 1.14 0.92 0.00 0.00 15 F 8.43 4.81 0.00 3.08 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 16 S 8.39 4.59 0.00 3.74 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 17 P 0.00 4.43 0.00 2.09 2.20 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 18 E 8.11 4.19 0.00 1.88 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 2.27 2.34 0.00 19 G 8.56 3.61 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 0.00 20 R 7.73 4.60 0.00 1.70 1.69 0.00 3.06 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 21 L 8.03 4.47 0.00 1.59 1.50 0.83 0.26 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 22 Y 7.34 3.59 0.00 2.86 2.46 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 23 Q 8.00 3.92 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 24 V 7.57 3.56 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 1.15 0.00 0.00 0.91 0.00 0.00 25 E 8.10 3.99 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 26 Y 8.21 4.47 0.00 2.96 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 27 A 8.51 4.08 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 28 L 8.39 3.93 0.00 1.91 1.75 0.93 0.68 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 29 E 8.06 3.95 0.00 2.13 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 0.00 2.35 2.43 0.00 30 S 8.15 4.30 0.00 3.99 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 31 I 8.06 3.71 1.99 0.00 0.00 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 1.87 0.72 0.93 0.00 0.00 32 S 7.99 4.25 0.00 3.95 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 33 H 7.81 4.71 0.00 3.28 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.01 4.38 1.24 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 0.00 0.00 0.00 35 G 8.42 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 36 T 8.44 4.21 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 1.21 0.00 0.00 37 A 8.55 5.22 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 38 I 9.55 4.66 1.88 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 1.17 0.82 0.92 0.00 0.00 39 G 8.66 4.42 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 0.00 40 I 8.84 4.72 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 1.12 0.85 0.92 0.00 0.00 41 M 8.85 4.73 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 42 A 8.80 4.79 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 43 S 8.65 4.31 0.00 4.00 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 44 D 9.04 4.89 0.00 2.77 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 45 G 6.94 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 46 I 7.64 5.14 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.97 0.00 0.00 47 V 8.90 4.49 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 1.06 0.00 0.00 0.94 0.00 0.00 48 L 8.63 5.28 0.00 1.52 1.54 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.19 4.89 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 50 A 8.40 4.97 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 51 E 9.17 4.40 0.00 2.02 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 0.00 2.24 2.27 0.00 52 R 8.56 4.29 0.00 1.84 1.88 0.00 3.25 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 53 K 8.55 3.99 0.00 1.79 1.71 0.00 2.04 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.57 3.28 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 7.99 4.64 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 1.21 0.00 0.00 56 S 8.14 4.74 0.00 3.81 3.68 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 0.00 0.00 0.00 0.00 57 T 8.50 3.90 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 1.21 0.00 0.00 58 L 7.64 4.18 0.00 1.66 1.72 0.92 0.76 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 59 L 7.21 3.91 0.00 1.57 1.70 0.92 0.88 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 60 E 8.66 4.17 0.00 1.95 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 2.28 2.35 0.00 61 Q 8.52 4.26 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 62 D 8.16 4.34 0.00 2.68 2.70 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 0.00 0.00 0.00 63 T 7.81 4.42 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 1.21 0.00 0.00 63A S 7.04 4.67 0.00 4.02 3.71 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 64 T 7.66 4.01 4.08 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 0.59 0.00 0.00 65 E 8.78 4.83 0.00 2.06 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 2.14 2.29 0.00 66 K 7.82 4.65 0.00 1.66 1.83 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.44 7.81 67 L 7.71 5.16 0.00 1.35 1.48 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.81 4.78 0.00 2.86 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 69 K 8.83 4.55 0.00 1.74 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.46 7.81 70 L 8.60 4.41 0.00 1.81 1.68 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.01 4.99 0.00 2.62 2.85 0.00 0.00 7.26 8.01 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 72 D 8.65 4.67 0.00 2.72 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 73 K 7.91 4.74 0.00 1.71 2.00 0.00 1.69 0.00 0.00 2.00 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.47 7.81 74 I 7.67 5.30 1.88 0.00 0.00 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 1.29 0.74 0.96 0.00 0.00 75 A 9.25 5.18 1.21 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 0.00 0.00 76 V 8.82 4.94 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 0.34 0.00 0.00 0.83 0.00 0.00 77 A 8.92 5.30 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 0.00 0.00 0.00 0.00 0.00 78 V 8.97 4.76 2.24 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 0.69 0.00 0.00 1.24 0.00 0.00 79 A 9.21 4.35 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 80 G 8.66 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.53 4.09 0.00 1.66 1.64 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.88 3.86 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 1.32 0.00 0.00 83 A 8.03 4.00 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 84 D 8.13 4.45 0.00 2.95 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 85 A 7.96 3.93 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 86 E 8.30 3.62 0.00 2.12 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 2.05 2.45 0.00 87 I 7.55 3.69 2.14 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 1.81 1.83 1.02 0.00 0.00 88 L 7.56 3.82 0.00 1.90 1.68 0.61 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.36 3.48 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.48 0.77 0.00 0.00 90 N 8.28 4.26 0.00 2.79 2.93 0.00 0.00 7.04 7.88 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 91 T 7.78 3.92 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 1.24 0.00 0.00 92 A 8.08 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 93 R 8.27 3.90 0.00 2.02 2.00 0.00 3.12 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 94 I 7.76 3.74 2.03 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 1.42 0.61 0.94 0.00 0.00 95 H 8.45 4.21 0.00 3.25 3.47 0.00 5.79 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 96 A 8.01 3.95 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 97 Q 7.92 4.00 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 98 N 8.56 4.32 0.00 2.95 2.90 0.00 0.00 6.63 8.00 0.00 0.00 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 Y 8.11 3.90 0.00 3.19 3.16 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 0.00 100 L 8.18 4.48 0.00 1.90 1.90 1.02 0.31 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 0.00 101 K 8.14 4.00 0.00 1.75 1.92 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 102 T 7.68 3.74 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 0.06 0.00 0.00 103 Y 7.56 4.51 0.00 2.59 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 0.00 104 N 8.57 4.38 0.00 2.84 2.91 0.00 0.00 6.73 7.47 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 0.00 105 E 7.73 4.84 0.00 2.15 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 0.00 2.36 2.54 0.00 106 D 8.59 4.65 0.00 2.70 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 0.00 107 I 8.10 2.75 1.53 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.76 0.00 0.00 108 P 0.00 4.19 0.00 1.98 1.81 0.00 2.85 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 109 V 8.34 3.49 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 0.91 0.00 0.00 0.88 0.00 0.00 110 E 7.95 3.77 0.00 1.97 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 0.00 2.28 2.30 0.00 111 I 7.58 3.58 1.75 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 1.45 0.82 0.86 0.00 0.00 112 L 7.46 3.96 0.00 1.53 1.66 0.87 0.79 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 0.00 113 V 7.40 2.96 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 0.43 0.00 0.00 -0.13 0.00 0.00 114 R 8.47 3.82 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 115 R 7.83 3.82 0.00 2.03 2.04 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.58 0.00 116 L 7.75 3.98 0.00 1.91 1.78 0.78 0.81 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 0.00 117 S 8.25 4.25 0.00 4.01 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 0.00 118 D 8.33 4.45 0.00 2.96 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 0.00 119 I 7.47 3.85 2.05 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 1.57 0.72 1.02 0.00 0.00 120 K 8.08 4.26 0.00 2.09 1.95 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.61 7.81 121 Q 8.68 4.18 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 122 G 8.15 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.81 3.94 0.00 3.21 3.06 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 0.00 124 T 7.82 4.33 4.48 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 1.15 0.00 0.00 125 Q 7.92 4.45 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 126 H 7.72 4.65 0.00 3.18 3.21 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.79 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.84 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 0.00 0.00 0.00 129 L 6.90 4.76 0.00 1.64 1.62 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.18 4.08 0.00 1.90 1.92 0.00 2.99 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 131 P 0.00 4.54 0.00 2.09 2.10 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 132 F 8.49 4.39 0.00 2.86 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 0.00 133 G 8.74 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 0.00 134 V 7.28 4.90 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 -0.18 0.00 0.00 0.83 0.00 0.00 135 S 8.59 4.65 0.00 3.68 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 0.00 136 F 8.77 5.35 0.00 2.43 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 0.00 0.00 0.00 0.00 137 I 8.36 4.52 1.88 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 1.26 0.88 0.95 0.00 0.00 138 Y 8.92 5.06 0.00 2.76 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 0.00 139 A 9.40 4.72 1.24 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 0.00 0.00 0.00 140 G 8.51 5.03 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 0.00 141 Y 8.37 4.99 0.00 2.97 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 0.00 142 D 7.26 4.64 0.00 2.61 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 0.00 143 D 8.47 4.56 0.00 2.83 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 0.00 144 R 8.36 4.09 0.00 1.64 1.84 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00