NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.2862 8.2393 120.8604 55.2948 30.9479 175.0082 12 P 4.1810 0.0000 0.0000 61.6320 32.0569 170.5367 13 V 3.9876 9.0328 123.0986 61.8584 33.0446 176.7368 14 L 4.5470 8.2386 127.3117 53.4249 43.2668 176.6232 15 T 4.0853 8.3121 110.3167 61.6354 69.6379 175.2662 16 R 3.8086 8.6893 122.9494 60.0086 30.0492 178.3792 17 A 4.5248 8.8062 122.4810 54.4672 18.2522 179.3926 18 R 4.3887 8.3037 115.7558 58.3169 30.3255 178.5389 19 A 4.1542 7.8618 119.4412 54.0187 18.6130 178.7980 20 S 4.5518 8.0218 110.6328 58.0967 63.8192 174.0298 21 L 3.3235 7.0248 125.4486 53.9908 42.3216 174.6516 22 P 4.1451 0.0000 0.0000 63.0517 31.6615 177.3778 23 L 4.0565 8.5448 124.3595 57.9215 41.9596 179.1548 24 V 3.9536 7.7491 114.7816 61.7847 31.9295 180.4514 25 L 5.5452 7.6239 117.9911 53.9150 45.3114 175.5869 26 Y 4.9449 8.2660 118.1166 55.4123 41.7006 174.1514 27 I 4.4955 8.4378 122.6930 60.3932 38.5630 175.0917 28 D 4.5023 9.0786 130.3577 54.7807 41.5027 177.9359 29 R 3.9266 9.0952 127.1092 59.3420 29.7823 174.8359 *30 F 4.6469 8.4549 114.7312 58.0317 39.6753 179.5059 31 L 4.1753 8.1883 120.1082 55.2255 42.0842 178.0524 32 G 3.6056 7.8016 105.9445 45.3152 0.0000 173.1727 33 G 4.3866 8.5357 108.5973 43.9546 0.0000 172.1127 34 V 4.8693 7.8585 117.7648 61.0807 34.0980 174.4248 35 F 5.1292 8.9595 127.8684 56.2164 43.5204 174.2622 36 S 4.9073 8.3556 117.5587 57.5994 63.2502 173.7879 37 K 4.3117 9.1406 127.5089 59.1775 32.2955 177.6325 38 R 4.5990 7.5594 119.6677 56.0678 33.1575 176.9620 39 R 4.5725 8.7528 115.1356 57.7215 31.6652 176.5024 40 I 4.6933 8.7581 123.5575 58.6066 40.2891 173.4807 41 P 4.9857 0.0000 0.0000 62.3505 31.9627 176.2719 42 K 4.2003 8.2674 121.3349 58.0812 33.2673 177.4966 43 R 4.0021 9.2391 118.0140 56.6495 28.7388 176.9900 44 T 4.0093 8.0163 116.7730 63.4861 69.4844 173.0576 45 Q 4.8943 8.4453 127.5443 54.5097 30.7804 174.4640 46 F 4.9974 9.2163 124.5822 56.5899 42.8996 174.2233 47 G 3.7354 9.1780 105.5644 43.3953 0.0000 171.5925 48 P 3.9212 0.0000 0.0000 61.5209 32.1002 177.1455 49 V 3.0423 7.8003 125.7842 63.8384 31.9801 175.8849 50 E 4.4222 8.5186 124.2750 53.9880 33.9838 173.0364 51 G 4.5779 8.0040 110.9885 44.1972 0.0000 170.2287 52 P 4.6644 0.0000 0.0000 62.3082 32.8651 175.6062 53 L 5.1210 8.3199 121.5227 53.7144 43.2099 176.4541 54 V 4.6645 9.4726 118.7279 60.3028 36.1276 177.2993 55 R 4.0448 8.7994 120.7074 57.2532 29.6761 177.8032 56 G 3.7889 8.4422 106.5541 47.0256 0.0000 175.7269 57 S 4.0760 8.2208 116.9056 61.3307 63.3348 175.3017 58 E 4.6154 7.9482 115.6373 55.9557 29.5756 179.1278 59 L 4.7309 7.1809 119.6926 53.6379 43.1259 177.2427 60 K 4.2270 8.3978 123.0174 56.6378 32.7339 176.5201 61 D 4.6477 8.2277 116.7250 54.5807 40.8899 177.4216 62 C 4.3808 7.4977 117.3583 60.5038 28.8148 172.8358 63 Y 4.9597 6.4690 115.9864 54.1939 40.7764 174.8554 64 I 3.6983 8.4752 120.7088 61.8577 38.4977 174.7329 65 H 5.1935 8.8292 124.5071 55.1450 29.7190 174.3666 66 L 5.1744 9.2698 125.9727 53.6629 44.1732 176.7975 67 K 3.6651 8.3417 129.5581 54.9358 32.8240 175.8367 68 V 4.2871 7.7838 115.2850 62.5793 35.0154 175.6532 *83 D 4.6355 8.1675 120.0260 54.6922 42.6159 175.1366 84 L 4.9505 7.2303 116.6138 52.6419 45.5505 174.9769 85 W 5.2208 8.9665 119.2773 54.8894 33.4741 174.7003 86 F 5.1388 8.6538 120.7489 57.0087 39.3436 175.4030 87 E 4.3363 9.3442 126.5968 54.5781 29.7179 175.9895 88 L 4.3401 6.6711 130.0934 54.6171 42.5275 178.7519 89 S 4.3754 7.3429 112.9909 60.5828 63.8957 174.7126 90 D 4.6893 7.7020 120.5068 52.9296 41.6748 176.6380 91 E 4.0485 8.8599 128.4160 59.3268 29.8975 179.2317 92 T 3.7970 7.6109 111.8846 62.5784 69.0188 181.2312 93 L 4.8093 7.8111 117.4153 54.4644 43.1030 181.1354 94 C 5.1356 7.4918 115.1066 58.3891 31.5766 173.6596 95 N 4.8908 8.2488 120.2412 51.4671 38.3540 175.8742 96 W 4.4685 8.9724 114.4003 59.0437 28.2980 178.1582 97 M 2.6269 6.5031 118.6329 57.1086 31.2786 178.0256 98 M 3.7499 6.8872 116.1184 57.8637 31.2908 177.3441 99 F 4.7643 8.6479 117.6807 57.9542 39.6137 175.2624 100 V 4.1477 7.5773 121.9629 62.0896 31.7659 175.8720 101 R 4.4097 8.4163 126.6768 55.4439 31.3545 174.2649 102 P 4.9648 0.0000 0.0000 62.3432 32.5205 175.8866 103 A 4.2794 8.8558 124.8168 52.4824 18.5383 177.6475 104 Q 4.1256 9.3832 119.7707 55.8866 29.9405 175.3179 105 N 4.7803 7.3006 113.9863 51.4905 40.1050 175.0232 106 H 4.0973 8.8156 118.8801 59.6672 29.1088 177.8031 107 L 4.1941 8.1256 118.4682 57.3021 40.6662 180.4250 108 E 4.1477 8.9397 116.3188 57.9326 30.0229 177.0489 109 Q 4.1698 7.6353 121.6087 56.3488 29.4198 174.9724 110 N 5.1779 9.0092 120.7081 52.2757 39.4887 173.5169 111 L 5.4119 7.8355 118.8756 53.4447 46.3352 175.3894 112 V 5.0684 8.9833 116.3684 59.7109 34.2530 174.8947 113 A 5.6756 9.1822 127.5522 51.0197 20.6917 175.6750 114 Y 4.1252 7.6910 117.3460 56.3588 41.3447 172.4991 115 Q 4.9394 8.4447 120.8299 55.2638 30.4974 173.1992 116 Y 4.8421 9.5792 125.2220 58.8341 42.3307 176.3701 117 G 3.7431 8.4723 105.1848 46.7606 0.0000 174.2023 *118 H 4.5714 9.4201 118.6313 55.0682 28.5755 175.7993 119 H 5.0846 7.9811 116.1699 54.9131 32.7405 172.5646 120 V 4.5090 8.0726 120.7492 61.8385 33.2987 174.4099 121 Y 4.8532 8.7545 124.7995 56.2600 42.1095 173.9883 122 Y 5.5034 8.8714 117.7242 56.8836 41.0638 175.1852 123 T 5.5157 9.5933 121.4375 61.7189 72.4240 173.6462 124 T 5.3304 9.3946 116.5008 61.3285 69.8711 174.7936 125 I 4.4912 8.6056 118.0770 60.7842 38.5784 174.8404 126 K 4.7427 7.7022 120.5769 54.9113 36.7184 175.3829 127 N 4.6297 8.7130 119.3447 53.5745 39.0757 175.0675 128 V 4.0599 8.9486 125.7954 62.1747 32.8395 175.5496 129 E 4.8121 9.2770 127.8298 54.7068 31.5364 174.1657 130 P 4.5722 0.0000 0.0000 64.2341 32.0572 178.1021 131 K 4.4439 9.1605 122.3297 55.2846 30.7037 176.9406 132 Q 4.6159 7.7025 118.2409 56.3750 30.1884 175.0694 133 E 3.4913 8.4760 122.8425 55.2969 31.0030 175.2947 134 L 4.7143 7.9375 125.2441 53.5490 43.1078 176.4095 135 K 5.4304 9.7021 123.0003 53.4198 36.4027 175.6962 136 V 4.8296 8.2656 122.9661 59.9506 34.5817 174.1289 137 W 5.2084 8.5988 131.1945 56.0459 34.8855 173.2733 138 Y 4.9406 7.2204 119.3131 57.8564 38.1784 175.9035 139 A 4.5646 9.2111 123.8253 51.3816 19.7317 178.3834 140 A 4.1024 9.2379 124.2934 56.5809 17.8776 181.4092 141 S 4.2374 8.1345 116.2726 63.5103 62.5234 177.6141 142 Y 4.7161 8.2321 122.1083 60.5668 38.5651 177.4674 143 A 3.4349 8.6294 122.3351 55.0864 18.2341 179.3954 144 E 3.8739 7.6646 115.3391 59.5450 29.5712 179.0840 145 F 4.4983 7.6043 118.7419 60.9941 39.5308 177.3466 146 V 3.1695 7.0331 117.2431 64.4320 31.4226 176.1542 147 N 4.5575 7.5652 116.6786 52.8868 38.9413 175.1786 148 Q 4.0819 8.3714 121.3021 56.3358 29.8987 174.4568 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 11 R 8.24 4.29 0.00 1.79 1.93 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 12 P 0.00 4.18 0.00 2.31 2.04 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 13 V 9.03 3.99 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 0.85 0.00 0.00 0.94 0.00 0.00 14 L 8.24 4.55 0.00 1.71 1.63 0.95 0.97 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 15 T 8.31 4.09 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 1.27 0.00 0.00 16 R 8.69 3.81 0.00 1.90 2.16 0.00 3.17 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 17 A 8.81 4.52 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 18 R 8.30 4.39 0.00 2.00 2.09 0.00 3.57 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 1.87 2.03 0.00 19 A 7.86 4.15 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 20 S 8.02 4.55 0.00 4.23 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 21 L 7.02 3.32 0.00 1.79 1.58 0.63 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.15 0.00 1.96 1.95 0.00 2.20 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.04 0.00 23 L 8.54 4.06 0.00 1.62 1.73 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.75 3.95 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 0.78 0.00 0.00 0.93 0.00 0.00 25 L 7.62 5.55 0.00 1.22 1.46 0.13 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.27 4.94 0.00 3.00 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 27 I 8.44 4.50 1.81 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 1.10 0.60 0.58 0.00 0.00 28 D 9.08 4.50 0.00 2.59 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 29 R 9.10 3.93 0.00 1.87 1.85 0.00 3.29 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 *30 F 8.45 4.65 0.00 2.27 2.19 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 31 L 8.19 4.18 0.00 1.67 1.88 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.80 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 33 G 8.54 4.39 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 0.00 34 V 7.86 4.87 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 1.05 0.00 0.00 1.27 0.00 0.00 35 F 8.96 5.13 0.00 1.58 2.36 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 36 S 8.36 4.91 0.00 3.45 3.73 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 37 K 9.14 4.31 0.00 1.91 1.98 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.70 7.81 38 R 7.56 4.60 0.00 1.52 1.61 0.00 3.26 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.00 39 R 8.75 4.57 0.00 1.72 1.91 0.00 3.14 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 40 I 8.76 4.69 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 1.07 0.00 0.00 41 P 0.00 4.99 0.00 2.08 2.07 0.00 3.81 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 1.99 1.98 0.00 42 K 8.27 4.20 0.00 1.94 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.45 7.81 43 R 9.24 4.00 0.00 1.95 2.13 0.00 3.16 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 44 T 8.02 4.01 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 0.82 0.00 0.00 45 Q 8.45 4.89 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 46 F 9.22 5.00 0.00 3.40 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 47 G 9.18 3.74 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 0.00 0.00 0.00 48 P 0.00 3.92 0.00 1.68 1.54 0.00 3.53 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 49 V 7.80 3.04 1.48 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 -0.36 0.00 0.00 0.27 0.00 0.00 50 E 8.52 4.42 0.00 1.64 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 2.20 1.85 0.00 51 G 8.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.66 0.00 2.12 2.00 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 53 L 8.32 5.12 0.00 1.44 1.44 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 V 9.47 4.66 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 0.71 0.00 0.00 1.09 0.00 0.00 55 R 8.80 4.04 0.00 1.83 1.85 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 56 G 8.44 3.79 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 0.00 0.00 0.00 57 S 8.22 4.08 0.00 3.96 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 58 E 7.95 4.62 0.00 2.01 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 2.21 1.89 0.00 59 L 7.18 4.73 0.00 1.31 1.39 0.42 1.27 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 K 8.40 4.23 0.00 1.73 1.70 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.64 7.81 61 D 8.23 4.65 0.00 2.56 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 62 C 7.50 4.38 0.00 3.04 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 63 Y 6.47 4.96 0.00 3.05 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 64 I 8.48 3.70 1.88 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.38 0.99 0.00 0.00 65 H 8.83 5.19 0.00 3.27 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 9.27 5.17 0.00 2.03 1.98 1.10 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.34 3.67 0.00 1.50 1.58 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.26 7.81 68 V 7.78 4.29 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 0.78 0.00 0.00 0.93 0.00 0.00 *83 D 8.17 4.64 0.00 2.63 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 84 L 7.23 4.95 0.00 1.45 1.45 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.97 5.22 0.00 3.29 3.11 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 86 F 8.65 5.14 0.00 2.98 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 87 E 9.34 4.34 0.00 1.99 1.93 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 2.30 2.31 0.00 88 L 6.67 4.34 0.00 0.28 1.15 0.75 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.34 4.38 0.00 3.94 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 90 D 7.70 4.69 0.00 2.66 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 91 E 8.86 4.05 0.00 2.14 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 2.55 2.40 0.00 92 T 7.61 3.80 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 93 L 7.81 4.81 0.00 1.56 1.62 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 94 C 7.49 5.14 0.00 2.66 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 95 N 8.25 4.89 0.00 2.91 2.87 0.00 0.00 6.96 8.73 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 96 W 8.97 4.47 0.00 3.73 3.57 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 97 M 6.50 2.63 0.00 1.06 1.29 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 98 M 6.89 3.75 0.00 1.61 2.02 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.57 0.00 99 F 8.65 4.76 0.00 3.30 3.11 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 0.00 100 V 7.58 4.15 2.27 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 0.85 0.00 0.00 1.11 0.00 0.00 101 R 8.42 4.41 0.00 1.79 1.84 0.00 3.29 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 102 P 0.00 4.96 0.00 2.25 2.22 0.00 3.55 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 2.08 2.27 0.00 103 A 8.86 4.28 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 0.00 104 Q 9.38 4.13 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 105 N 7.30 4.78 0.00 2.83 2.77 0.00 0.00 6.26 7.90 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 0.00 106 H 8.82 4.10 0.00 3.13 3.41 0.00 5.91 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 0.00 107 L 8.13 4.19 0.00 1.66 1.60 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.94 4.15 0.00 1.98 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 0.00 2.56 2.18 0.00 109 Q 7.64 4.17 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 110 N 9.01 5.18 0.00 2.90 2.98 0.00 0.00 6.31 6.66 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 0.00 111 L 7.84 5.41 0.00 1.63 1.55 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.98 5.07 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 0.85 0.00 0.00 1.15 0.00 0.00 113 A 9.18 5.68 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 0.00 114 Y 7.69 4.13 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 115 Q 8.44 4.94 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 116 Y 9.58 4.84 0.00 3.05 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 0.00 117 G 8.47 3.74 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 0.00 0.00 0.00 *118 H 9.42 4.57 0.00 2.95 2.97 0.00 7.15 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 7.98 5.08 0.00 3.16 2.78 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.07 4.51 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 1.04 0.00 0.00 1.06 0.00 0.00 121 Y 8.75 4.85 0.00 2.14 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 0.00 122 Y 8.87 5.50 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 0.00 123 T 9.59 5.52 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 124 T 9.39 5.33 4.54 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 1.47 0.00 0.00 125 I 8.61 4.49 1.93 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 1.42 0.74 0.99 0.00 0.00 126 K 7.70 4.74 0.00 1.64 1.73 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.51 7.81 127 N 8.71 4.63 0.00 2.63 2.81 0.00 0.00 6.84 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 0.00 128 V 8.95 4.06 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 1.06 0.00 0.00 0.99 0.00 0.00 129 E 9.28 4.81 0.00 1.97 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 2.32 2.46 0.00 130 P 0.00 4.57 0.00 2.01 2.21 0.00 3.81 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 2.07 2.13 0.00 131 K 9.16 4.44 0.00 1.93 1.83 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.23 7.81 132 Q 7.70 4.62 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 133 E 8.48 3.49 0.00 1.27 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 1.73 1.47 0.00 134 L 7.94 4.71 0.00 1.47 1.53 0.68 0.89 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 0.00 135 K 9.70 5.43 0.00 1.58 1.69 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.07 7.81 136 V 8.27 4.83 1.54 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 0.59 0.00 0.00 0.07 0.00 0.00 137 W 8.60 5.21 0.00 3.24 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 0.00 138 Y 7.22 4.94 0.00 2.68 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 0.00 139 A 9.21 4.56 1.48 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 0.00 0.00 140 A 9.24 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.24 0.00 3.75 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 0.00 142 Y 8.23 4.72 0.00 3.19 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 0.00 143 A 8.63 3.43 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 0.00 144 E 7.66 3.87 0.00 2.15 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 0.00 2.37 2.35 0.00 145 F 7.60 4.50 0.00 2.98 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 0.00 146 V 7.03 3.17 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 0.76 0.00 0.00 -0.08 0.00 0.00 147 N 7.57 4.56 0.00 2.67 2.70 0.00 0.00 6.86 8.42 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 0.00 148 Q 8.37 4.08 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.65 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.