NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2614 8.1744 110.9417 61.6770 69.8364 173.5261 5 Q 4.1833 8.2851 123.2286 54.0817 30.2335 171.4024 6 I 4.7952 9.6964 127.6562 59.7422 40.9014 174.2646 7 T 5.1131 8.9899 124.1797 61.7516 71.0728 173.5514 8 G 3.6155 8.7116 113.9802 44.0648 0.0000 172.2093 9 V 4.7937 8.8833 123.2399 60.6521 34.5872 174.2989 10 V 4.2200 8.8848 127.8335 61.0359 34.1212 174.0499 11 L 5.0576 8.6859 127.7998 52.7384 43.1826 177.0077 12 A 4.9408 8.4448 127.2372 51.6641 19.2000 176.2802 13 A 4.4655 8.3495 120.8817 53.1572 19.8496 178.8046 14 G 3.6898 7.7427 105.5091 45.6594 0.0000 173.9542 15 R 4.2792 8.2299 121.4918 55.7350 31.3159 176.6841 16 S 4.7133 8.0215 115.0503 57.9339 63.7150 176.4958 17 N 4.2730 8.2546 119.4922 56.5365 38.6051 177.2477 18 R 4.0800 7.7693 115.4545 58.1460 30.6872 177.4598 19 L 3.4287 7.6970 116.7866 55.6552 42.2423 177.9374 20 G 4.0391 9.8086 104.4456 45.3947 0.0000 172.7753 21 T 4.5582 7.1110 111.6269 59.5141 70.5665 171.3289 22 P 4.1681 0.0000 0.0000 62.6542 31.8900 177.5079 23 K 3.7246 8.6634 123.3451 59.9514 32.8427 178.9995 24 Q 3.9925 8.0990 118.1800 58.2213 29.4562 178.1073 25 L 4.5768 7.5364 115.7536 54.2186 42.6501 177.3394 26 L 4.0541 7.5588 120.6695 53.9824 42.5628 175.2671 27 P 4.7425 0.0000 0.0000 63.4797 32.0814 175.4511 28 Y 4.8185 9.2527 122.5206 57.8333 42.9094 174.3314 29 R 3.2281 7.6274 127.1134 57.8170 29.3265 176.9310 30 D 4.7648 8.6893 125.3337 54.4144 40.5370 176.3876 31 T 4.7776 8.0044 116.8237 61.7289 68.9193 172.2771 32 T 5.1754 8.1689 109.2948 59.3429 72.8746 174.9989 33 V 3.5066 8.4533 120.9034 66.3478 31.3619 177.9125 34 L 4.1664 7.9431 119.8805 57.9597 41.8825 178.9080 35 G 3.7128 8.0636 105.3302 48.0660 0.0000 175.4979 36 A 4.2141 8.2386 123.4383 54.9391 18.3714 179.9644 37 T 3.8592 7.7350 114.5582 66.8862 68.5824 177.0270 38 L 4.0750 8.1922 121.0327 57.7181 41.3437 179.3232 39 D 4.3985 8.3812 118.7456 57.2439 41.0581 178.6944 40 V 3.7577 7.7669 117.9636 66.1102 31.5944 177.7789 41 A 4.3213 8.1365 120.4571 55.6064 17.9779 179.7998 42 R 4.1262 8.0583 115.1707 59.0363 30.1900 178.7775 43 Q 4.1814 7.9585 116.9787 58.1068 28.8837 177.5428 44 A 4.1516 7.6453 120.2628 52.6147 18.7044 177.4881 45 G 3.7085 8.1513 104.5905 46.0938 0.0000 173.9146 46 F 4.5161 7.9199 117.2470 57.3132 39.6651 175.7256 47 D 4.7293 9.2028 124.4241 56.3044 41.5907 176.6313 48 Q 4.6557 8.0876 118.8814 54.3560 33.0553 173.3257 49 L 5.0603 8.5512 124.5257 53.0052 45.6715 175.0865 50 I 4.7795 8.6964 125.1088 59.3696 39.8541 174.2044 51 L 5.1684 8.8302 129.7640 53.4398 44.5464 174.9661 52 T 5.0030 8.5060 116.6941 60.4217 71.0394 173.7311 53 L 5.2656 9.3611 123.7760 51.8912 46.2681 178.0636 54 G 4.1686 8.4620 108.5658 45.9395 0.0000 177.7592 55 G 3.5397 8.8988 114.0892 47.4663 0.0000 173.4766 56 A 4.3788 7.8744 121.5738 52.1477 19.2774 178.4552 57 A 3.9649 7.8836 121.7065 56.1114 18.3052 180.5300 58 S 4.0051 8.1177 112.6696 61.8582 62.7348 176.6894 59 A 3.9603 7.8783 121.1274 55.2904 18.4107 179.4166 60 V 3.6738 8.1548 117.0695 66.2223 31.4072 178.5219 61 R 3.9463 8.4262 116.9171 58.7717 29.9939 178.0646 62 A 4.4067 7.8851 117.8049 52.3990 18.9751 177.3939 63 A 4.4007 7.3305 119.2489 51.5440 19.5576 176.0242 *65 A 4.1125 7.9620 121.3352 53.9190 19.0204 177.9228 66 L 4.7841 8.0552 124.8421 54.6720 42.6915 176.4599 67 D 4.4249 8.0527 118.7426 55.6701 41.2816 177.1977 68 G 4.0037 9.0988 112.5485 45.1735 0.0000 173.0509 69 T 4.6127 7.0456 116.0810 62.2241 70.2186 174.6305 70 D 4.5814 8.9908 126.6486 53.7821 41.6556 175.4373 71 V 4.4919 8.2530 124.3710 61.5753 32.9862 175.0821 72 V 4.3848 9.1043 128.0089 61.0411 34.0346 174.0284 73 V 4.7767 8.4437 127.5067 61.2804 33.1906 174.9059 74 V 4.5892 8.5881 120.3505 59.6614 35.0083 174.8477 75 E 4.5684 8.4524 121.0096 54.3386 31.3703 176.0065 76 D 4.3095 8.6004 121.5490 55.2752 40.9355 176.7827 77 V 4.0062 8.3803 123.0660 62.3734 32.4059 176.2173 78 E 3.9015 8.2321 116.9983 55.6792 27.0161 173.0538 79 R 3.2754 7.7163 117.3004 56.7045 29.7123 175.4554 *82 A 4.3170 8.4127 123.3752 52.2847 20.5581 178.8208 83 A 4.0587 7.7377 116.6687 54.9401 18.3355 179.8624 84 S 4.0141 7.9723 113.6732 61.5939 62.8714 176.4687 85 L 3.7811 7.7114 122.3873 58.1132 41.7896 178.3669 86 R 3.7440 7.4603 117.2457 59.8320 30.1882 178.1370 87 V 3.7313 7.6473 116.6899 65.2926 31.4619 177.8493 88 A 3.9246 8.0486 121.0790 55.1032 18.1797 179.5246 89 L 3.5805 8.0557 117.4340 57.7291 41.3595 179.5673 90 A 3.9748 7.3123 119.2427 54.7098 18.3258 178.5293 91 R 4.1462 7.7440 114.7302 57.0982 30.7886 177.2843 92 V 3.8225 7.4268 119.0107 62.4950 32.1864 175.1691 93 H 4.2336 9.1050 127.1581 55.7534 30.1978 174.4857 94 P 4.3789 0.0000 0.0000 65.3268 31.2933 177.3490 95 R 4.3264 8.1454 114.4245 56.2585 30.5855 176.3261 96 A 4.5751 8.1266 121.9776 51.6791 19.0290 177.7257 97 T 4.3221 8.6891 110.9711 61.2193 69.7407 174.4507 98 G 3.7861 6.9219 107.4888 46.5077 0.0000 171.8270 99 I 5.0034 7.4370 112.6802 58.9559 41.0497 174.7864 100 V 4.7477 8.8228 124.6250 62.1782 32.9987 174.8293 101 L 5.3149 9.1765 129.7614 52.6478 45.1899 174.7989 *103 L 4.2216 8.2329 121.0338 54.3448 42.7234 178.5941 104 G 3.6505 9.2243 112.5821 47.5322 0.0000 173.8619 105 D 4.8588 7.8226 118.5592 53.1876 40.1612 176.9198 106 Q 4.8353 7.7803 116.8317 53.5402 28.6603 174.2992 107 P 4.5963 0.0000 0.0000 63.3925 32.3336 177.7877 108 Q 4.3472 7.5917 116.0196 56.6529 29.2735 176.0490 109 V 3.8248 7.5381 113.0846 61.2159 32.3352 175.6443 110 A 4.3872 8.4862 127.1710 51.0112 19.5484 176.6178 111 P 4.3082 0.0000 0.0000 65.6827 31.4550 179.1391 112 A 4.0496 7.9892 119.1515 55.2440 18.4021 179.6375 113 T 3.9165 7.8270 114.6108 66.6707 68.4606 176.9939 114 L 4.1281 7.7951 120.6459 57.8314 41.8333 179.5262 115 R 3.9095 8.1636 118.0162 58.8769 29.8936 179.4318 116 R 3.8421 7.8241 117.7800 59.2870 30.0814 178.8816 117 I 3.6740 7.6242 117.9210 63.9510 37.7151 177.9579 118 I 3.6282 7.5272 120.2388 64.1600 36.9234 177.6920 119 D 4.2850 7.6436 117.7989 57.2878 41.6023 178.1068 120 V 3.9853 7.8062 111.9877 62.3799 32.1028 178.4554 121 G 3.1213 7.6187 106.2299 47.2909 0.0000 173.7207 122 P 3.9666 0.0000 0.0000 63.6963 31.2491 176.6588 123 A 4.5238 7.1802 119.9389 51.7182 18.9173 176.5194 124 T 4.7521 7.4592 107.0744 60.4904 72.0432 173.9814 125 E 4.2251 8.7962 122.8094 58.8688 30.2196 175.7862 126 I 5.4749 7.0488 116.5846 59.1495 42.4607 174.2065 *128 V 4.3064 8.1398 114.8486 61.9614 33.4554 174.4628 129 C 4.8401 8.6912 119.1527 58.6621 30.2401 173.3144 130 R 4.6138 8.7438 124.8685 55.3342 30.9000 175.1850 131 Y 5.0159 9.1620 125.2029 55.5344 40.0646 176.9409 132 A 4.1362 8.8707 123.3900 54.7340 18.4290 178.1453 133 D 4.9341 7.9580 114.5257 53.7486 40.2010 174.6363 134 G 3.8444 7.6980 106.2909 45.1931 0.0000 173.4172 135 V 4.5856 8.5171 118.6294 62.5844 32.5741 175.8018 136 G 4.6277 9.1844 112.7103 45.6684 0.0000 171.7107 137 H 4.4942 8.7940 117.2103 54.5002 29.4763 174.1739 138 P 4.6748 0.0000 0.0000 63.2227 32.2243 175.6431 139 F 5.2550 8.6808 120.0132 55.9549 41.8368 174.3325 140 W 5.2945 8.4934 130.6388 55.7256 33.3926 174.2762 141 F 4.8583 8.1129 125.0151 55.3499 41.8761 174.8629 142 S 4.4913 8.8484 118.7816 57.8397 63.3949 175.1021 143 R 2.0000 8.5848 124.6022 58.6783 29.4183 178.7212 144 T 3.9983 7.6723 107.8504 63.3674 69.0679 175.2453 145 V 4.2236 7.5736 120.4289 62.9058 31.9565 176.9633 146 F 4.4659 8.0853 117.5267 61.3675 38.5158 177.5339 147 G 3.6231 8.1127 103.8897 47.7751 0.0000 174.8055 148 E 4.0998 8.1651 121.5586 59.0631 29.2327 178.6921 149 L 3.8636 8.1565 118.8289 57.5750 41.3965 178.9297 150 A 4.1630 7.7267 118.8179 53.4361 18.6531 178.0257 151 R 4.3899 7.4283 114.7925 55.6642 30.9032 176.8802 152 L 4.2572 7.2352 118.5630 55.2519 42.2373 176.1707 153 H 4.9238 8.7271 116.5063 55.0426 32.9410 176.7335 154 G 3.9057 8.5221 110.7545 47.2373 0.0000 175.8909 155 D 4.5690 8.9583 124.5600 55.3886 41.4557 177.0973 156 K 4.3040 7.6400 120.3704 54.9327 30.7898 176.4148 157 G 4.6043 7.6716 113.5526 44.0714 0.0000 171.5021 158 V 3.6286 8.5610 117.3216 65.7327 31.4377 178.7865 159 W 4.4992 8.4594 126.5964 60.7776 30.7333 177.3219 160 K 4.0056 8.3106 118.8411 59.3219 31.6080 178.3098 161 L 3.9813 7.6390 120.7866 58.1436 41.9111 178.9186 162 V 3.6779 7.6065 109.5361 62.8883 31.5231 176.8893 163 H 4.4506 7.2379 115.0378 54.5610 29.7131 174.8251 164 S 4.2673 7.3770 116.8360 57.9161 62.7252 174.0971 165 G 3.8659 8.5243 114.7144 46.4316 0.0000 174.7495 166 R 4.0086 8.3278 119.9971 58.2048 30.3353 176.5238 167 H 4.9290 7.8023 113.4444 52.8919 31.3572 172.8741 168 P 4.3682 0.0000 0.0000 62.4867 29.6567 174.7972 169 V 3.9855 7.9418 124.9604 62.5891 31.8509 175.6011 170 R 4.5706 8.6621 127.1229 55.1357 31.7127 175.7618 171 E 4.8655 8.5664 120.3676 54.5150 32.5950 175.0688 172 L 4.5659 8.8271 126.0216 53.0528 44.0969 175.1806 173 A 4.5528 8.5895 129.0491 51.9584 18.8404 176.4657 174 V 4.3849 8.2243 122.6677 60.9475 34.7379 175.0485 175 D 4.5855 8.6925 126.8661 55.5177 42.0512 176.7394 176 G 3.9565 8.9409 107.0472 44.4230 0.0000 172.0350 177 C 5.2531 8.0824 116.1907 57.1957 31.2633 173.8697 178 V 2.6231 8.7997 122.0031 62.4228 31.3413 174.2959 179 P 4.0137 0.0000 0.0000 62.8478 31.6772 175.8205 180 L 4.0734 8.2187 122.5305 54.6018 42.0696 176.7766 181 D 4.5267 8.3991 123.7639 54.0895 41.8447 176.7523 182 V 4.3309 8.0427 121.4060 61.1586 31.1622 174.3680 183 D 4.4405 8.2142 122.0560 55.1026 42.5348 177.6342 184 T 4.3962 7.6218 108.9334 59.5903 72.3453 175.5761 185 W 4.5020 8.3936 120.5921 60.0953 29.0647 178.5467 186 D 4.5088 8.2821 118.5334 57.3274 40.3036 178.3229 187 D 4.3860 7.9918 119.2445 57.3628 40.7430 178.1764 188 Y 4.1972 7.9628 119.6684 60.6168 38.9751 177.6583 189 R 3.7758 8.3067 119.7391 59.5803 29.9609 178.3129 190 R 3.8768 7.6783 116.8342 59.3752 30.1971 177.8473 191 L 4.0828 7.7899 120.0318 58.2355 41.9002 179.0305 192 L 4.0695 7.7170 117.6954 57.1125 41.5851 178.0952 193 E 4.1871 7.7264 116.7470 55.9730 30.0987 175.9865 194 S 4.6346 7.2639 113.9231 58.6029 64.8756 174.3584 195 V 3.6346 8.4113 121.9754 63.5267 32.2738 172.9801 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 T 8.17 4.26 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 1.21 0.00 0.00 5 Q 8.29 4.18 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 6 I 9.70 4.80 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 1.09 0.00 0.00 7 T 8.99 5.11 4.36 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 1.30 0.00 0.00 8 G 8.71 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 0.00 0.00 0.00 9 V 8.88 4.79 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 0.86 0.00 0.00 0.83 0.00 0.00 10 V 8.88 4.22 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 0.87 0.00 0.00 0.84 0.00 0.00 11 L 8.69 5.06 0.00 1.58 1.52 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.44 4.94 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 13 A 8.35 4.47 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 14 G 7.74 3.69 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 0.00 0.00 0.00 15 R 8.23 4.28 0.00 1.76 1.81 0.00 3.28 0.00 0.00 3.50 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 16 S 8.02 4.71 0.00 3.73 3.69 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 17 N 8.25 4.27 0.00 2.66 2.86 0.00 0.00 7.21 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 18 R 7.77 4.08 0.00 1.83 1.91 0.00 3.15 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 19 L 7.70 3.43 0.00 1.32 0.81 0.44 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.81 4.04 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 0.00 0.00 0.00 21 T 7.11 4.56 4.32 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 1.34 0.00 0.00 22 P 0.00 4.17 0.00 2.16 2.04 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 23 K 8.66 3.72 0.00 1.74 1.84 0.00 1.21 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.30 7.81 24 Q 8.10 3.99 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 25 L 7.54 4.58 0.00 1.53 1.68 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.56 4.05 0.00 1.38 1.11 0.07 1.12 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 27 P 0.00 4.74 0.00 2.25 2.11 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 28 Y 9.25 4.82 0.00 3.07 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 29 R 7.63 3.23 0.00 1.66 1.22 0.00 2.62 0.00 0.00 2.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 30 D 8.69 4.76 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 31 T 8.00 4.78 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 1.37 0.00 0.00 32 T 8.17 5.18 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 1.25 0.00 0.00 33 V 8.45 3.51 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 0.88 0.00 0.00 1.01 0.00 0.00 34 L 7.94 4.17 0.00 1.84 1.71 0.93 1.05 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 35 G 8.06 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 0.00 0.00 0.00 36 A 8.24 4.21 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.73 3.86 4.38 0.00 0.00 0.00 0.00 0.00 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 38 L 8.19 4.07 0.00 1.86 1.73 0.92 1.07 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 39 D 8.38 4.40 0.00 2.83 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 40 V 7.77 3.76 2.29 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 1.13 0.00 0.00 1.05 0.00 0.00 41 A 8.14 4.32 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 4.13 0.00 2.02 2.07 0.00 3.20 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 43 Q 7.96 4.18 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 44 A 7.65 4.15 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 45 G 8.15 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 0.00 0.00 0.00 46 F 7.92 4.52 0.00 3.13 3.18 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 47 D 9.20 4.73 0.00 2.65 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 48 Q 8.09 4.66 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 49 L 8.55 5.06 0.00 1.57 1.43 0.96 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.70 4.78 1.79 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 1.08 0.65 0.85 0.00 0.00 51 L 8.83 5.17 0.00 1.69 1.46 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.51 5.00 4.19 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 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8.43 3.95 0.00 1.99 1.97 0.00 3.20 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 62 A 7.89 4.41 1.36 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 0.00 0.00 63 A 7.33 4.40 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 A 7.96 4.11 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 66 L 8.06 4.78 0.00 1.68 1.63 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.05 4.42 0.00 2.67 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 68 G 9.10 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 69 T 7.05 4.61 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 1.24 0.00 0.00 70 D 8.99 4.58 0.00 2.57 2.61 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.16 2.24 0.00 79 R 7.72 3.28 0.00 1.86 1.86 0.00 3.26 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 *82 A 8.41 4.32 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 83 A 7.74 4.06 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 84 S 7.97 4.01 0.00 3.83 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 85 L 7.71 3.78 0.00 1.67 1.68 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.46 3.74 0.00 1.81 2.06 0.00 3.28 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 87 V 7.65 3.73 2.10 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 0.92 0.00 0.00 0.91 0.00 0.00 88 A 8.05 3.92 1.29 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 0.00 0.00 0.00 89 L 8.06 3.58 0.00 1.64 1.38 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.31 3.97 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 91 R 7.74 4.15 0.00 1.90 1.97 0.00 3.31 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 92 V 7.43 3.82 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 0.88 0.00 0.00 0.80 0.00 0.00 93 H 9.10 4.23 0.00 3.40 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.38 0.00 2.06 2.11 0.00 3.29 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 95 R 8.15 4.33 0.00 2.00 2.05 0.00 3.25 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 96 A 8.13 4.58 1.46 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 0.00 0.00 97 T 8.69 4.32 4.37 0.00 0.00 0.00 0.00 0.00 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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 0.00 124 T 7.46 4.75 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 1.12 0.00 0.00 125 E 8.80 4.23 0.00 2.08 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 2.43 2.39 0.00 126 I 7.05 5.47 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.54 0.00 0.00 *128 V 8.14 4.31 2.10 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 -0.06 0.00 0.00 0.85 0.00 0.00 129 C 8.69 4.84 0.00 3.09 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 0.00 0.00 0.00 0.00 130 R 8.74 4.61 0.00 1.84 1.75 0.00 3.15 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 131 Y 9.16 5.02 0.00 3.11 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 0.00 132 A 8.87 4.14 1.39 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 0.00 133 D 7.96 4.93 0.00 2.81 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 0.00 134 G 7.70 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 0.00 135 V 8.52 4.59 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 0.85 0.00 0.00 0.91 0.00 0.00 136 G 9.18 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 0.00 137 H 8.79 4.49 0.00 3.07 3.13 0.00 5.90 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.67 0.00 2.24 2.18 0.00 3.91 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 2.11 2.12 0.00 139 F 8.68 5.26 0.00 3.02 2.33 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 0.00 140 W 8.49 5.29 0.00 3.46 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 0.00 141 F 8.11 4.86 0.00 2.87 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 0.00 142 S 8.85 4.49 0.00 4.35 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 0.00 143 R 8.58 2.00 0.00 1.35 1.58 0.00 3.03 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 144 T 7.67 4.00 4.23 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 1.18 0.00 0.00 145 V 7.57 4.22 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 1.10 0.00 0.00 0.96 0.00 0.00 146 F 8.09 4.47 0.00 3.17 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 0.00 147 G 8.11 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 0.00 0.00 0.00 148 E 8.17 4.10 0.00 2.08 2.10 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 2.38 2.43 0.00 149 L 8.16 3.86 0.00 1.75 1.47 0.50 0.23 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 0.00 150 A 7.73 4.16 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 0.00 151 R 7.43 4.39 0.00 1.97 1.98 0.00 3.28 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 152 L 7.24 4.26 0.00 1.63 1.70 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.73 4.92 0.00 3.28 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.52 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 0.00 0.00 0.00 155 D 8.96 4.57 0.00 2.66 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 0.00 156 K 7.64 4.30 0.00 1.66 1.70 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.35 7.81 157 G 7.67 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 8.56 3.63 2.33 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 1.44 0.00 0.00 0.92 0.00 0.00 159 W 8.46 4.50 0.00 3.52 3.22 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 0.00 160 K 8.31 4.01 0.00 1.94 1.84 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.52 7.81 161 L 7.64 3.98 0.00 1.77 1.89 0.96 0.90 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 0.00 162 V 7.61 3.68 1.43 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 0.29 0.00 0.00 0.33 0.00 0.00 163 H 7.24 4.45 0.00 2.93 3.18 0.00 5.85 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.38 4.27 0.00 3.85 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 0.00 165 G 8.52 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 0.00 166 R 8.33 4.01 0.00 1.75 1.86 0.00 3.22 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 1.64 1.72 0.00 167 H 7.80 4.93 0.00 3.10 3.31 0.00 5.70 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 0.00 168 P 0.00 4.37 0.00 2.18 2.10 0.00 4.08 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 2.01 1.96 0.00 169 V 7.94 3.99 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 0.62 0.00 0.00 0.93 0.00 0.00 170 R 8.66 4.57 0.00 1.64 1.78 0.00 3.29 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 171 E 8.57 4.87 0.00 1.76 1.77 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 2.13 2.19 0.00 172 L 8.83 4.57 0.00 1.65 1.46 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.59 4.55 1.19 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 0.00 0.00 174 V 8.22 4.38 1.38 0.00 0.00 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 0.74 0.00 0.00 175 D 8.69 4.59 0.00 2.75 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 0.00 176 G 8.94 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 0.00 177 C 8.08 5.25 0.00 2.87 2.92 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 0.00 178 V 8.80 2.62 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 0.74 0.00 0.00 1.17 0.00 0.00 179 P 0.00 4.01 0.00 2.09 1.91 0.00 3.34 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 180 L 8.22 4.07 0.00 1.57 1.56 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 181 D 8.40 4.53 0.00 2.56 2.64 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 0.00 182 V 8.04 4.33 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 0.78 0.00 0.00 0.94 0.00 0.00 183 D 8.21 4.44 0.00 2.59 2.58 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 0.00 184 T 7.62 4.40 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 1.18 0.00 0.00 185 W 8.39 4.50 0.00 3.43 3.26 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 0.00 186 D 8.28 4.51 0.00 2.74 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 0.00 187 D 7.99 4.39 0.00 2.93 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 0.00 188 Y 7.96 4.20 0.00 3.03 3.40 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 0.00 189 R 8.31 3.78 0.00 2.10 2.13 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 190 R 7.68 3.88 0.00 2.01 2.12 0.00 3.32 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 191 L 7.79 4.08 0.00 1.90 1.80 0.78 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 192 L 7.72 4.07 0.00 1.63 1.59 0.56 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 193 E 7.73 4.19 0.00 2.17 1.94 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 2.30 2.37 0.00 194 S 7.26 4.63 0.00 4.04 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 0.00 195 V 8.41 3.63 2.11 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 0.72 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.