NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3323 8.3149 120.1408 55.5936 33.5345 175.2351 7 L 4.1395 8.3230 120.4384 54.1612 42.0954 175.1874 8 H 5.0768 9.1936 116.6691 54.0713 32.5515 172.5776 9 K 4.5756 8.6346 120.0924 56.1655 33.0463 176.0150 10 E 5.0191 9.1909 123.2929 53.6555 33.7583 173.6958 11 P 4.9779 0.0000 0.0000 63.2325 32.4689 174.9020 12 A 4.9499 8.4770 121.9359 51.3156 23.1470 175.4955 13 T 4.6291 8.6175 114.9557 61.3440 72.1601 173.9505 14 L 4.2028 8.7274 128.4030 55.9050 42.4006 175.5296 15 I 4.3499 8.4932 126.3861 62.0330 38.4963 175.7230 16 K 4.5411 7.5317 120.3017 55.3050 35.6340 173.7495 17 A 4.5211 8.6258 130.3313 51.9933 19.3182 177.3359 18 I 4.0946 8.6373 125.1840 63.5441 38.3046 175.3042 19 D 4.5699 7.5347 117.4579 52.5755 41.1631 175.0176 20 G 3.8865 9.2345 106.3496 48.1897 0.0000 173.7339 21 D 4.9983 8.3944 116.5681 52.7414 41.4711 175.3880 22 T 5.1394 8.0448 115.3659 62.3076 72.2320 172.9742 23 I 4.8407 9.0398 127.2303 59.2621 41.5786 174.4469 24 K 4.8609 9.1843 129.1057 56.0229 33.2803 175.5842 25 L 5.3315 9.2449 126.7842 53.0403 46.5847 175.2538 26 M 4.8579 9.1144 122.2476 55.2163 33.5071 174.3431 27 Y 5.0568 9.1521 127.8689 56.2319 42.2943 175.4445 28 K 3.3193 9.4829 125.7577 57.4438 29.7982 176.1375 29 G 4.0029 8.8415 104.2929 45.4442 0.0000 173.8671 30 Q 4.8056 8.0450 118.1742 52.9438 33.2904 172.8318 31 P 5.0453 0.0000 0.0000 63.4171 32.1633 175.5310 32 M 4.9543 9.3868 122.5036 53.9932 37.0029 174.1405 33 T 4.8310 8.4842 118.6615 62.9723 70.4855 173.6687 34 F 5.1115 9.6029 124.8158 55.5984 42.4018 174.2861 35 R 5.0286 8.9174 122.9353 54.2574 32.4159 174.9378 36 L 4.3656 8.8261 127.6809 54.5556 42.4143 177.2202 37 L 3.9828 8.5175 124.3485 55.8818 42.6398 178.3106 38 L 4.0177 9.0829 120.9430 54.9358 39.4500 174.1056 39 V 4.9026 7.2904 109.3829 59.4825 35.9163 174.5071 40 D 5.0987 9.2779 123.0204 52.7936 43.8798 175.1292 41 T 4.6815 9.0238 116.6137 59.7776 71.3593 172.9427 42 P 4.6283 0.0000 0.0000 62.5889 32.2819 175.9155 43 E 4.4512 9.0392 121.2605 56.3085 30.1967 177.6768 44 T 4.2885 8.4064 110.7359 61.5740 70.5146 175.1698 45 K 4.3302 7.7648 119.6966 57.4315 33.8472 175.7425 46 H 3.6755 7.6436 116.4499 54.1860 30.3023 171.7417 47 P 4.2842 0.0000 0.0000 65.9025 30.7210 177.3699 48 K 4.0395 7.5028 118.5375 58.2847 32.8462 176.4089 49 K 4.3174 7.5122 122.2568 55.2040 34.1546 176.3236 50 G 3.4715 8.6975 114.2303 46.5558 0.0000 174.0538 51 V 4.3592 8.2889 117.2244 61.2177 33.5789 175.8754 52 E 4.3638 9.4905 128.0806 55.3990 31.1823 176.2980 53 K 3.9568 8.3372 121.3050 58.2961 32.5589 177.1933 54 Y 3.9639 8.0411 120.2362 59.1813 35.8879 171.1346 55 G 3.8046 8.0850 107.6866 47.5701 0.0000 174.1625 56 P 4.3150 0.0000 0.0000 64.7766 30.8596 178.6986 57 E 3.9990 8.1831 116.7660 59.4124 29.4468 179.0183 58 A 4.0411 8.3179 121.0503 55.2237 18.4223 179.6061 59 S 4.1120 8.2845 111.4085 61.6162 62.4454 176.2994 60 A 4.0687 8.3349 123.4102 54.5661 18.0003 179.3902 61 F 3.9683 8.3438 119.6080 61.8996 39.5354 177.3672 62 T 3.8993 8.4401 115.6525 66.5459 68.1909 176.4877 63 K 3.9204 8.2104 121.4033 59.5395 32.1568 179.0662 64 K 3.9032 8.3336 119.1819 59.6190 31.7147 179.1225 65 M 3.8857 7.8435 117.8211 58.3618 32.2504 177.9070 66 L 4.1668 7.9241 119.1968 57.5309 41.7322 179.1307 67 E 4.0552 8.3151 117.8515 58.5482 29.4336 178.0146 68 N 4.7108 7.5312 113.5373 51.9969 39.3498 175.0726 69 A 4.4367 6.9372 123.9974 51.8198 19.2925 178.4277 70 K 4.2000 9.4246 121.5221 58.6010 32.6648 178.2242 71 K 4.7227 8.6940 117.4446 54.4777 36.3560 175.6376 72 L 5.3241 8.5620 123.3917 53.0894 45.0084 175.2333 73 E 5.1672 9.2708 121.2237 54.7670 34.1549 174.8969 74 V 4.6894 9.2533 116.6107 59.5156 35.0885 174.6002 75 E 5.0091 8.9483 124.6961 54.4478 32.2127 175.0659 76 F 4.6558 8.9140 125.7788 57.6217 40.1738 175.6313 77 D 5.0011 8.5393 120.9699 53.3413 43.2394 175.8107 78 K 4.4452 8.7131 117.3099 57.4027 33.9120 177.6853 79 G 4.2094 8.3790 111.3923 44.7578 0.0000 173.6111 80 Q 4.0136 8.7440 121.9568 56.8743 29.2589 176.8744 81 R 4.5331 8.5406 119.7693 56.5032 31.2488 176.0170 82 T 5.0077 7.5140 106.8522 59.6282 71.9074 172.9777 83 D 4.8051 8.3506 122.9749 51.4187 41.5948 177.2143 84 K 3.8621 8.3083 117.1945 59.3557 32.4812 177.0858 85 Y 4.3025 8.0203 115.8081 57.8627 38.1050 176.1798 86 G 3.9318 8.3488 108.6967 45.2034 0.0000 173.8552 87 R 4.3432 8.4408 119.8020 55.1424 31.6177 176.5434 88 G 3.5048 8.3487 110.8403 46.1916 0.0000 172.4099 89 L 5.3547 8.6473 123.3205 53.1129 43.2366 175.6673 90 A 4.4296 8.3403 124.5711 51.1353 23.5367 173.9778 91 Y 4.7890 8.7548 117.4992 56.7774 39.9316 174.8094 92 L 4.9530 8.6506 125.9658 53.4743 44.6377 174.4696 93 Y 5.1348 9.2051 123.4960 56.0613 41.5311 174.3974 94 A 4.8623 9.0354 125.8583 50.2033 21.2974 176.3593 95 D 4.4422 9.9331 125.1035 55.9845 39.0525 175.5399 96 G 3.9272 8.4336 104.8939 45.4011 0.0000 173.6322 97 K 4.4643 7.9161 120.5379 54.6924 33.4300 175.4844 98 M 3.9919 8.6160 123.9686 55.0355 33.0250 176.1174 99 L 3.9920 8.6971 129.6044 58.4954 42.1744 178.6337 100 N 4.3162 8.0240 115.7449 56.3582 38.4828 176.8443 101 E 3.8448 8.0474 119.8463 59.1701 29.9864 178.3539 102 A 4.0152 8.1103 120.8300 55.2386 18.3534 179.6365 103 L 3.4586 7.9851 117.3201 57.7690 41.6346 179.9642 104 V 3.6930 7.4452 118.2765 66.0674 31.2929 178.0320 105 R 3.8756 8.4177 117.5254 59.0482 29.9025 177.4427 106 Q 4.3405 7.6051 115.0384 54.7981 29.0519 175.8684 107 G 3.8319 8.1037 108.6767 46.7298 0.0000 174.8642 108 L 4.5594 7.7508 116.7713 53.9478 42.3683 176.2291 109 A 4.7833 7.4994 119.3824 50.5310 22.2962 175.8822 110 K 4.8283 8.5831 119.0991 54.7248 35.9091 175.8123 111 V 4.0973 9.6410 122.9865 62.9950 32.0424 176.9015 112 A 4.2078 8.9416 130.5695 52.0500 19.3960 175.5620 113 Y 4.0905 8.3662 113.5314 57.3284 38.7737 175.2190 114 V 3.8735 8.0369 124.5104 61.4345 32.9198 174.7324 115 Y 4.7984 8.0010 124.9492 55.7602 38.0986 175.0327 116 K 4.2430 8.6484 124.3410 56.5103 32.6549 175.2694 117 P 4.8583 0.0000 0.0000 62.9891 32.0059 176.6807 118 N 4.9364 8.1097 117.9203 52.4571 37.0334 175.5970 119 N 5.0841 7.7746 113.2691 53.2607 38.7974 177.5995 120 T 3.8507 8.6528 118.0461 67.8278 68.7129 175.1239 121 H 4.8670 7.8883 116.6612 55.7495 29.1238 176.7547 122 E 3.9933 8.2198 123.4142 59.4765 29.3156 178.8986 123 Q 3.9598 8.0171 117.5215 59.2133 28.9284 177.8976 124 H 4.1988 8.2313 118.6430 59.5576 29.8765 177.1371 125 L 3.9625 7.9841 120.5717 57.7346 41.3111 179.7304 126 R 4.0006 8.2639 118.2214 58.8908 29.9254 179.2241 127 K 3.9621 8.1230 118.6500 59.5573 31.9879 179.6047 128 S 4.1462 8.1206 115.5026 61.3413 62.6984 176.3516 129 E 3.9385 8.5534 122.5151 59.1419 29.3765 178.7221 130 A 3.7994 8.2512 121.2730 54.8971 18.3457 179.4903 131 Q 3.7915 8.0337 117.9908 59.3125 29.2045 178.2019 132 A 4.0594 8.1564 121.8838 54.9456 18.3474 179.9175 133 K 3.4145 7.7171 117.1072 59.3563 31.8516 179.2534 134 K 3.8695 7.5366 118.4931 59.4229 32.0674 177.6223 135 E 4.2331 7.9329 115.8739 55.2660 30.5170 175.9734 136 K 4.0838 8.1548 118.1711 57.2679 30.3735 175.4681 137 L 4.4102 8.1130 118.3072 55.2386 44.6794 177.7458 138 N 3.7363 8.9725 119.3962 52.7188 37.8847 176.9832 139 I 3.0899 5.4200 127.8333 64.6074 37.3069 176.6189 140 W 4.9709 7.7931 118.1832 56.7954 29.2636 176.4958 141 S 4.4764 8.5051 119.8207 58.5422 62.6459 173.9592 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 6 K 8.31 4.33 0.00 1.79 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.49 7.81 7 L 8.32 4.14 0.00 1.79 1.75 1.04 0.85 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 8 H 9.19 5.08 0.00 3.15 3.26 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.63 4.58 0.00 1.59 1.69 0.00 1.42 0.00 0.00 1.06 0.00 0.00 2.42 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.17 1.30 7.81 10 E 9.19 5.02 0.00 2.16 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 2.26 2.34 0.00 11 P 0.00 4.98 0.00 2.09 2.07 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 12 A 8.48 4.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.62 4.63 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 1.22 0.00 0.00 14 L 8.73 4.20 0.00 1.62 1.57 0.97 1.02 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 15 I 8.49 4.35 1.96 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 1.15 0.85 0.94 0.00 0.00 16 K 7.53 4.54 0.00 1.81 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 A 8.63 4.52 1.26 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 0.00 0.00 18 I 8.64 4.09 2.01 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 1.37 0.62 0.91 0.00 0.00 19 D 7.53 4.57 0.00 2.86 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 20 G 9.23 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.39 5.00 0.00 2.72 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 22 T 8.04 5.14 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 1.27 0.00 0.00 23 I 9.04 4.84 1.90 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 0.56 0.92 0.00 0.00 24 K 9.18 4.86 0.00 1.91 1.87 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.54 7.81 25 L 9.24 5.33 0.00 1.67 1.60 0.22 0.64 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 26 M 9.11 4.86 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 27 Y 9.15 5.06 0.00 3.22 3.05 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 0.00 0.00 0.00 28 K 9.48 3.32 0.00 1.60 1.67 0.00 1.61 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.04 7.81 29 G 8.84 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 30 Q 8.04 4.81 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 31 P 0.00 5.05 0.00 2.13 2.12 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 32 M 9.39 4.95 0.00 1.79 2.16 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 33 T 8.48 4.83 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 1.23 0.00 0.00 34 F 9.60 5.11 0.00 2.99 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 35 R 8.92 5.03 0.00 1.88 1.78 0.00 3.35 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 36 L 8.83 4.37 0.00 1.54 1.58 0.96 0.89 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 37 L 8.52 3.98 0.00 0.80 1.25 0.40 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.08 4.02 0.00 2.01 1.91 1.09 0.98 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 39 V 7.29 4.90 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 0.66 0.00 0.00 0.93 0.00 0.00 40 D 9.28 5.10 0.00 2.72 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 41 T 9.02 4.68 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 1.23 0.00 0.00 42 P 0.00 4.63 0.00 2.30 2.07 0.00 3.57 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 2.06 2.05 0.00 43 E 9.04 4.45 0.00 2.05 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 2.42 2.49 0.00 44 T 8.41 4.29 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 1.19 0.00 0.00 45 K 7.76 4.33 0.00 1.73 1.86 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.38 7.81 46 H 7.64 3.68 0.00 3.14 3.51 0.00 5.76 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.28 0.00 2.06 2.07 0.00 3.56 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 48 K 7.50 4.04 0.00 1.79 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.50 7.81 49 K 7.51 4.32 0.00 1.68 1.53 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.39 7.81 50 G 8.70 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.29 4.36 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 0.81 0.00 0.00 0.91 0.00 0.00 52 E 9.49 4.36 0.00 1.91 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 0.00 2.26 2.26 0.00 53 K 8.34 3.96 0.00 1.55 1.46 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.38 7.81 54 Y 8.04 3.96 0.00 3.16 3.01 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 55 G 8.09 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.31 0.00 2.16 2.11 0.00 3.57 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 2.07 2.16 0.00 57 E 8.18 4.00 0.00 2.36 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 0.00 2.56 2.52 0.00 58 A 8.32 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.28 4.11 0.00 3.93 4.05 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 0.00 0.00 0.00 60 A 8.33 4.07 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 61 F 8.34 3.97 0.00 3.19 3.21 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 62 T 8.44 3.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 63 K 8.21 3.92 0.00 1.90 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.56 7.81 64 K 8.33 3.90 0.00 1.81 1.70 0.00 1.77 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.44 7.81 65 M 7.84 3.89 0.00 1.80 1.63 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 66 L 7.92 4.17 0.00 1.72 1.66 0.90 0.73 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 67 E 8.32 4.06 0.00 1.96 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 0.00 2.33 2.52 0.00 68 N 7.53 4.71 0.00 2.72 2.80 0.00 0.00 6.99 8.68 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 69 A 6.94 4.44 1.26 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 0.00 0.00 70 K 9.42 4.20 0.00 1.89 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.53 7.81 71 K 8.69 4.72 0.00 1.65 1.64 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 L 8.56 5.32 0.00 1.73 1.50 0.89 0.87 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 73 E 9.27 5.17 0.00 1.91 1.83 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 2.22 2.27 0.00 74 V 9.25 4.69 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 -0.07 0.00 0.00 0.83 0.00 0.00 75 E 8.95 5.01 0.00 2.24 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 0.00 2.49 2.41 0.00 76 F 8.91 4.66 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 5.00 0.00 2.75 2.97 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 78 K 8.71 4.45 0.00 1.94 1.97 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.43 7.81 79 G 8.38 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 0.00 0.00 0.00 0.00 80 Q 8.74 4.01 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 81 R 8.54 4.53 0.00 1.66 1.59 0.00 2.64 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 82 T 7.51 5.01 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 1.13 0.00 0.00 83 D 8.35 4.81 0.00 2.96 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 84 K 8.31 3.86 0.00 1.57 1.78 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.06 0.43 7.81 85 Y 8.02 4.30 0.00 3.16 3.01 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 86 G 8.35 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 0.00 0.00 0.00 87 R 8.44 4.34 0.00 2.05 1.88 0.00 3.13 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 1.63 1.64 0.00 88 G 8.35 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 5.35 0.00 1.58 1.62 0.96 0.93 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 90 A 8.34 4.43 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.75 4.79 0.00 2.90 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.65 4.95 0.00 1.63 1.38 0.84 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 93 Y 9.21 5.13 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 9.04 4.86 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 95 D 9.93 4.44 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.43 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 0.00 0.00 0.00 97 K 7.92 4.46 0.00 1.93 1.79 0.00 1.99 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.50 7.81 98 M 8.62 3.99 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.30 0.00 99 L 8.70 3.99 0.00 1.73 1.71 1.05 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.02 4.32 0.00 2.88 2.90 0.00 0.00 6.75 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 0.00 101 E 8.05 3.84 0.00 1.90 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 2.21 2.07 0.00 102 A 8.11 4.02 1.65 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 0.00 0.00 103 L 7.99 3.46 0.00 1.81 1.60 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.45 3.69 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 1.11 0.00 0.00 1.01 0.00 0.00 105 R 8.42 3.88 0.00 1.98 1.92 0.00 3.34 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 106 Q 7.61 4.34 0.00 1.63 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.42 0.00 0.00 0.00 0.00 0.00 2.35 2.04 0.00 107 G 8.10 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 0.00 108 L 7.75 4.56 0.00 1.29 1.48 0.55 0.68 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 0.00 109 A 7.50 4.78 1.13 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 0.00 110 K 8.58 4.83 0.00 2.10 1.83 0.00 1.26 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.29 7.81 111 V 9.64 4.10 2.06 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 0.73 0.00 0.00 0.93 0.00 0.00 112 A 8.94 4.21 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 0.00 113 Y 8.37 4.09 0.00 2.70 2.66 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 0.00 114 V 8.04 3.87 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 0.87 0.00 0.00 0.90 0.00 0.00 115 Y 8.00 4.80 0.00 3.11 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 0.00 116 K 8.65 4.24 0.00 1.81 1.82 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.44 7.81 117 P 0.00 4.86 0.00 2.21 2.16 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 118 N 8.11 4.94 0.00 2.99 2.89 0.00 0.00 6.63 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.77 5.08 0.00 2.86 3.00 0.00 0.00 6.09 7.22 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 0.00 120 T 8.65 3.85 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 1.10 0.00 0.00 121 H 7.89 4.87 0.00 2.86 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.22 3.99 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 123 Q 8.02 3.96 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 124 H 8.23 4.20 0.00 3.17 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.98 3.96 0.00 1.75 1.69 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.26 4.00 0.00 1.83 1.94 0.00 3.11 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.00 0.00 127 K 8.12 3.96 0.00 1.98 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.56 7.81 128 S 8.12 4.15 0.00 3.82 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 0.00 129 E 8.55 3.94 0.00 2.12 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 2.25 2.59 0.00 130 A 8.25 3.80 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.03 3.79 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 132 A 8.16 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.72 3.41 0.00 1.34 1.16 0.00 0.86 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.87 7.81 134 K 7.54 3.87 0.00 1.77 1.95 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 135 E 7.93 4.23 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 136 K 8.15 4.08 0.00 1.85 1.91 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.56 7.81 137 L 8.11 4.41 0.00 1.78 1.66 1.02 0.71 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 0.00 138 N 8.97 3.74 0.00 2.53 1.42 0.00 0.00 7.61 7.32 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 0.00 139 I 5.42 3.09 0.99 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.00 -0.36 0.00 0.00 140 W 7.79 4.97 0.00 3.45 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 0.00 141 S 8.51 4.48 0.00 3.99 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