NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2818 8.2601 123.5884 51.9737 18.5242 175.9800 3 A 3.9067 7.8447 124.5979 52.7086 19.1051 171.6270 4 V 4.5392 8.4687 115.6903 61.3726 34.2651 173.0451 5 T 4.6991 9.0644 123.9743 61.9498 71.3763 172.9531 6 Q 5.1493 8.7821 125.1298 54.6508 31.1358 175.2235 7 S 4.6510 8.6425 117.0383 56.5110 66.0245 172.7330 8 P 4.8166 0.0000 0.0000 62.6507 33.1055 174.9756 9 R 4.6175 8.5310 113.4620 57.2105 33.2388 175.8452 10 N 5.3162 8.0010 115.7587 52.0968 42.1604 173.8406 11 K 4.7090 9.6570 125.3465 54.4564 36.4402 175.2152 12 V 4.7134 8.3147 123.0184 61.5783 34.1131 174.2822 13 A 4.8803 8.6530 131.5003 50.3869 22.4594 174.8708 14 V 4.7994 8.2637 115.7237 61.1440 34.8241 175.9168 15 T 4.1476 8.6072 124.1220 65.3912 68.9344 174.8717 16 G 4.0830 9.3957 114.3479 45.3743 0.0000 173.8338 17 E 4.0312 8.0683 120.9506 56.6631 31.0336 175.5923 18 K 4.8864 8.4289 124.3464 54.7456 33.7041 175.3844 19 V 4.5245 8.6492 127.1371 61.4029 35.1028 174.3683 20 T 4.8926 8.2135 121.2268 61.9426 71.9581 173.0314 21 L 4.7743 8.6086 127.1504 52.8279 44.4060 175.9598 22 S 5.1508 8.9980 118.0751 57.1946 66.1708 172.3696 23 C 5.2325 8.9950 120.8508 55.3052 43.9863 172.4453 24 Q 5.3205 9.2625 126.5561 54.3452 30.3428 175.1285 25 Q 5.0716 8.8819 122.9609 54.9421 30.6709 175.4408 26 T 4.5105 7.9860 107.8034 62.2011 71.0932 175.6705 27 N 4.1680 8.2230 117.7649 53.5133 39.1793 173.7958 28 N 4.0181 7.3016 116.1444 54.9094 37.5342 172.6007 29 H 5.0329 8.6455 114.9169 54.2221 31.7292 176.0938 30 N 4.5413 8.7445 118.6177 56.6322 38.8904 175.6833 31 N 5.3577 7.8647 115.4086 52.4125 40.2315 174.0903 32 M 5.0425 7.7271 121.1176 53.7967 37.0857 173.6561 33 Y 5.1828 9.5031 118.8139 56.0484 42.6966 174.4448 34 W 5.2843 9.5011 122.8272 55.3695 31.9426 174.3694 35 Y 5.4405 10.2753 123.5696 56.3433 41.3706 174.6781 36 R 4.6948 9.4998 123.1159 54.6242 32.6475 174.7124 37 Q 4.9082 8.9213 129.2707 55.4620 29.3206 174.8767 38 D 4.8262 8.9411 127.1935 51.1316 42.0465 175.1409 39 T 3.8612 8.5792 113.3921 62.7876 68.8820 172.2286 40 G 3.8310 8.5656 118.2034 46.0932 0.0000 174.7486 41 H 4.9676 7.8583 116.1818 55.7077 32.0939 177.5792 42 G 3.6025 8.4653 109.8587 46.5443 0.0000 176.0403 43 L 5.0476 8.9371 120.3362 53.0199 43.5388 175.5194 44 R 4.7883 8.9450 123.5577 54.3416 32.8198 175.2200 45 L 4.4869 8.5499 125.6291 54.9685 42.7977 176.9579 46 I 4.0873 9.1447 128.4954 64.1856 37.9978 175.6425 47 H 5.1711 7.9026 116.5134 55.2646 33.0132 171.7726 48 Y 5.2774 8.8166 118.3904 56.1564 42.1943 173.4195 49 S 4.0468 8.0791 112.0446 56.9669 66.0238 173.8264 50 Y 5.3645 9.2050 121.2262 55.7935 38.5069 175.0679 51 G 4.3004 7.1411 106.3590 42.6049 0.0000 173.1008 52 A 4.2472 8.0082 124.0644 53.7644 18.6887 176.3195 53 G 4.1458 8.8679 111.4849 45.5235 0.0000 174.0308 54 S 4.5763 7.4884 113.6774 57.0392 63.7942 174.7819 55 T 4.8493 7.8580 117.3128 59.4384 68.6566 173.7380 56 E 3.7886 7.6524 121.3701 57.2879 30.5011 178.0652 57 K 4.6866 8.4616 121.2809 56.5733 33.8341 178.2666 58 G 4.3436 7.8909 110.2971 46.1988 0.0000 174.1366 59 D 4.5815 10.1898 123.6547 55.6623 41.1556 176.9883 60 I 4.5147 7.1746 110.7842 59.4712 35.0935 173.7022 61 P 4.4232 0.0000 0.0000 66.9658 32.5501 178.5910 62 D 4.1179 7.5946 118.0252 53.8647 40.7284 177.1338 63 G 3.5100 8.8506 112.6494 45.6454 0.0000 171.9367 *65 Y 5.4623 7.2141 115.3846 58.1302 39.3192 174.3909 66 K 4.8008 8.4136 119.1098 54.7742 36.9681 174.6517 67 A 4.8980 8.1552 122.1632 50.6181 23.1788 175.3241 68 S 4.4095 8.8138 112.8152 57.0859 66.0578 173.8456 69 R 5.1215 8.5290 129.3344 54.3108 28.0106 174.1650 70 P 4.2468 0.0000 0.0000 64.6570 32.3429 176.7402 71 S 4.7582 7.4231 107.5392 55.8430 66.3941 174.5232 72 Q 3.8987 8.9205 121.6766 59.4156 28.7040 178.3185 73 E 4.1991 8.2219 116.2062 58.0811 29.9323 176.1970 74 Q 5.1588 8.1104 120.9111 54.1501 31.9609 174.5683 75 F 5.6218 9.3407 128.6273 57.2811 42.5791 173.0403 76 S 5.1401 9.2456 121.2796 56.4071 66.3575 172.5929 77 L 4.4803 7.6924 123.2019 53.1664 44.3520 175.0290 78 I 4.7450 8.2056 125.8593 59.5839 40.3754 174.6080 79 L 4.8217 8.8930 128.5830 52.0607 41.5628 176.8645 80 E 3.7442 8.6104 123.4160 59.4396 29.6391 177.8649 81 S 4.9804 7.9025 111.1784 56.6050 64.1400 172.2633 82 A 4.4896 8.8274 123.7808 51.7768 19.3824 177.3660 83 T 4.8526 8.5180 111.3796 58.8015 72.1819 173.3532 84 P 4.4627 0.0000 0.0000 65.4147 31.5252 179.1363 85 S 4.1518 7.3965 110.9779 60.7961 62.8450 175.0090 86 Q 4.5073 7.7740 118.8148 56.1727 28.9606 175.3833 87 T 4.2621 8.1247 116.8411 63.2118 69.3018 173.9037 88 S 4.6191 8.3551 120.6444 58.5838 67.3684 175.2113 89 V 4.7740 7.4443 121.2281 61.5022 33.2227 173.9334 90 Y 5.3546 9.0801 125.0243 56.3838 41.5311 174.6931 91 F 5.4997 10.1911 120.6968 56.0250 43.7720 171.4016 92 C 5.6296 9.3028 115.1726 52.8983 43.7045 172.3824 93 A 5.0943 8.1015 118.6671 51.2157 22.3581 175.0474 94 S 5.1589 9.0358 114.9803 56.5126 65.7081 173.1634 95 G 4.4826 8.9047 111.1743 44.7441 0.0000 173.3804 96 G 3.7155 9.1006 114.9403 46.4676 0.0000 173.3445 97 G 3.8974 7.0541 114.4333 43.8627 0.0000 173.7818 98 G 3.8819 8.1382 112.9849 45.3387 0.0000 173.6783 99 T 4.3797 7.5394 116.4475 62.7803 70.6025 173.7928 100 L 4.9772 7.8527 122.3191 53.3114 45.6997 175.3713 101 Y 4.4536 8.8412 121.3013 56.3295 40.1960 175.2770 *108 F 4.9982 8.6504 122.4892 57.6223 41.0140 174.5100 109 G 4.1251 8.7423 108.8836 43.6187 0.0000 174.7683 110 A 4.1079 8.5243 121.8200 53.6499 18.4471 178.8037 111 G 3.3113 8.0919 100.7649 45.1970 0.0000 173.3974 112 T 4.6898 8.3345 115.9153 61.4983 72.3342 173.2327 113 R 4.5396 8.7501 128.6014 55.5628 31.5621 174.9201 114 L 5.3118 8.8566 128.0347 53.3650 45.6181 174.9087 115 S 4.9263 8.9364 121.6903 56.6009 65.2869 173.2320 116 V 4.3888 8.2327 125.6478 61.4458 32.2918 175.7469 117 L 4.3498 8.6344 127.4472 54.9327 41.7899 176.7886 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 4.28 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 3 A 7.84 3.91 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 4 V 8.47 4.54 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 0.86 0.00 0.00 0.98 0.00 0.00 5 T 9.06 4.70 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 1.24 0.00 0.00 6 Q 8.78 5.15 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 7 S 8.64 4.65 0.00 3.85 3.70 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 8 P 0.00 4.82 0.00 2.23 2.10 0.00 3.78 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 2.00 1.98 0.00 9 R 8.53 4.62 0.00 1.78 1.99 0.00 3.15 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 10 N 8.00 5.32 0.00 2.57 2.71 0.00 0.00 6.61 7.61 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 11 K 9.66 4.71 0.00 1.73 1.59 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.33 7.81 12 V 8.31 4.71 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 0.90 0.00 0.00 0.94 0.00 0.00 13 A 8.65 4.88 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 14 V 8.26 4.80 2.17 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 0.97 0.00 0.00 0.92 0.00 0.00 15 T 8.61 4.15 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 1.20 0.00 0.00 16 G 9.40 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 0.00 0.00 0.00 0.00 17 E 8.07 4.03 0.00 2.05 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 2.28 2.26 0.00 18 K 8.43 4.89 0.00 1.74 1.63 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.30 7.81 19 V 8.65 4.52 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 0.93 0.00 0.00 0.87 0.00 0.00 20 T 8.21 4.89 4.16 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 1.12 0.00 0.00 21 L 8.61 4.77 0.00 0.80 1.42 0.16 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.00 5.15 0.00 3.95 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 23 C 9.00 5.23 0.00 2.94 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 24 Q 9.26 5.32 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 25 Q 8.88 5.07 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 26 T 7.99 4.51 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 0.00 0.00 0.00 0.00 1.22 0.00 0.00 27 N 8.22 4.17 0.00 2.16 2.23 0.00 0.00 6.92 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 28 N 7.30 4.02 0.00 2.75 2.76 0.00 0.00 7.04 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 29 H 8.65 5.03 0.00 3.06 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.74 4.54 0.00 2.75 3.12 0.00 0.00 6.96 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 31 N 7.86 5.36 0.00 2.93 2.40 0.00 0.00 7.36 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 32 M 7.73 5.04 0.00 1.80 1.37 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 33 Y 9.50 5.18 0.00 2.81 2.48 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 34 W 9.50 5.28 0.00 3.25 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 35 Y 10.28 5.44 0.00 3.29 3.02 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 36 R 9.50 4.69 0.00 1.83 1.77 0.00 2.95 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 37 Q 8.92 4.91 0.00 2.26 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 38 D 8.94 4.83 0.00 2.82 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 39 T 8.58 3.86 4.21 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 1.20 0.00 0.00 40 G 8.57 3.83 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 0.00 0.00 0.00 41 H 7.86 4.97 0.00 3.14 3.26 0.00 5.78 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 42 G 8.47 3.60 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 43 L 8.94 5.05 0.00 1.41 1.47 0.70 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.95 4.79 0.00 1.77 1.90 0.00 3.32 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 45 L 8.55 4.49 0.00 1.80 1.59 0.61 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.14 4.09 1.65 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.22 0.14 0.00 0.00 47 H 7.90 5.17 0.00 3.11 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.82 5.28 0.00 2.55 3.02 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 49 S 8.08 4.05 0.00 2.72 2.91 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 50 Y 9.20 5.36 0.00 2.95 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 51 G 7.14 4.30 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 0.00 52 A 8.01 4.25 1.25 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 0.00 0.00 53 G 8.87 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.49 4.58 0.00 3.88 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 55 T 7.86 4.85 4.25 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 1.46 0.00 0.00 56 E 7.65 3.79 0.00 1.40 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 57 K 8.46 4.69 0.00 1.80 1.80 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.51 7.81 58 G 7.89 4.34 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 0.00 59 D 10.19 4.58 0.00 2.58 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 60 I 7.17 4.51 1.98 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 1.45 0.65 0.96 0.00 0.00 61 P 0.00 4.42 0.00 2.14 2.16 0.00 3.51 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 62 D 7.59 4.12 0.00 2.77 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 63 G 8.85 3.51 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 0.00 0.00 0.00 *65 Y 7.21 5.46 0.00 3.02 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 66 K 8.41 4.80 0.00 1.58 1.58 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.36 7.81 67 A 8.16 4.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 4.41 0.00 3.85 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.53 5.12 0.00 2.03 1.78 0.00 3.54 0.00 0.00 3.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 70 P 0.00 4.25 0.00 2.12 2.14 0.00 4.00 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 71 S 7.42 4.76 0.00 3.93 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 72 Q 8.92 3.90 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.16 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 73 E 8.22 4.20 0.00 2.02 1.98 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 2.39 2.35 0.00 74 Q 8.11 5.16 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 75 F 9.34 5.62 0.00 3.01 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 76 S 9.25 5.14 0.00 4.00 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 77 L 7.69 4.48 0.00 0.27 0.13 0.60 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.21 4.75 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.41 0.84 0.00 0.00 79 L 8.89 4.82 0.00 1.49 1.46 0.77 1.05 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 80 E 8.61 3.74 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 81 S 7.90 4.98 0.00 3.82 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.83 4.49 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 83 T 8.52 4.85 4.22 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 1.21 0.00 0.00 84 P 0.00 4.46 0.00 2.20 2.23 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 85 S 7.40 4.15 0.00 3.99 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 86 Q 7.77 4.51 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 87 T 8.12 4.26 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 1.34 0.00 0.00 88 S 8.36 4.62 0.00 3.85 3.38 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 0.00 89 V 7.44 4.77 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 0.77 0.00 0.00 0.94 0.00 0.00 90 Y 9.08 5.35 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 10.19 5.50 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 9.30 5.63 0.00 1.80 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 93 A 8.10 5.09 0.70 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 0.00 0.00 94 S 9.04 5.16 0.00 3.97 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 95 G 8.90 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 0.00 0.00 0.00 0.00 96 G 9.10 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 97 G 7.05 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 0.00 0.00 0.00 98 G 8.14 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 0.00 0.00 0.00 99 T 7.54 4.38 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 0.76 0.00 0.00 100 L 7.85 4.98 0.00 1.34 0.85 0.67 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.84 4.45 0.00 2.80 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 *108 F 8.65 5.00 0.00 2.88 3.09 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 0.00 109 G 8.74 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.52 4.11 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 0.00 111 G 8.09 3.31 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 0.00 112 T 8.33 4.69 4.41 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 1.27 0.00 0.00 113 R 8.75 4.54 0.00 1.93 1.82 0.00 3.05 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 114 L 8.86 5.31 0.00 1.91 1.86 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.94 4.93 0.00 3.94 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 0.00 116 V 8.23 4.39 2.17 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 0.77 0.00 0.00 0.99 0.00 0.00 117 L 8.63 4.35 0.00 1.77 1.54 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.