NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2401 8.3049 120.3386 53.4704 34.3470 174.8257 2 I 3.8444 7.4991 127.2628 58.6536 38.1242 174.0903 3 K 4.2729 9.0900 129.3803 53.9888 33.0330 174.1462 4 P 4.3947 0.0000 0.0000 62.3892 30.9925 176.1876 5 L 4.5563 8.3766 121.8601 54.4252 44.4857 178.1098 6 G 3.8309 8.1104 111.1417 47.2946 0.0000 174.9894 7 D 5.0509 8.6031 122.9615 53.7560 40.3048 172.9184 8 R 5.2080 7.5952 114.5248 54.9348 35.6940 175.7724 9 V 4.8627 8.7304 111.8965 60.3306 36.9855 174.2619 10 V 4.8885 9.0568 122.0725 61.3408 34.0193 174.8487 11 V 4.9981 8.8618 120.3796 59.5748 36.0235 174.2992 12 K 4.6319 8.7291 124.9067 54.7568 33.4244 176.1853 13 R 4.5970 8.7224 127.8312 56.9641 30.8521 175.6703 14 I 4.6332 7.9066 123.5996 60.4591 40.5549 175.5790 *25 V 3.8639 8.3576 118.5208 61.5135 32.6666 174.4569 26 L 4.9402 7.8164 127.3615 54.0199 44.0893 171.6227 27 P 4.4460 0.0000 0.0000 62.4097 31.8428 177.7494 28 D 4.4299 8.6637 122.5864 57.3543 41.3026 177.3406 29 T 4.2367 7.9022 107.6366 62.0563 68.6708 175.0627 30 A 4.2960 7.7002 123.1900 52.6388 18.5667 178.4431 31 K 4.4130 7.6627 118.4370 57.3033 33.9563 178.0695 32 E 4.2097 7.7158 115.4692 56.5251 28.5639 176.4841 33 K 4.5036 7.6823 118.1367 54.8208 34.7547 173.2714 34 P 3.8352 0.0000 0.0000 57.1428 34.0096 174.9568 35 Q 4.4131 8.1886 118.5954 53.8650 32.2866 174.8411 36 K 5.0400 8.2785 120.7959 54.7914 35.4424 175.4147 37 G 4.6130 9.2707 110.2538 44.9671 0.0000 170.8481 38 K 5.1479 8.8540 121.5569 54.2051 34.6394 175.3503 39 V 4.3179 8.8699 128.8029 63.0604 32.0266 176.0033 40 I 4.4992 8.9781 120.4398 60.7561 39.4459 175.5092 41 A 4.7649 7.6039 123.5075 51.1028 22.4158 175.4418 42 V 4.5807 8.3553 115.0255 59.3856 35.1491 176.3768 43 G 4.0565 8.8883 112.5615 45.9785 0.0000 173.1959 44 T 4.1626 8.6004 108.6118 62.0851 69.5914 175.8664 45 G 3.9592 8.9319 111.0608 45.3994 0.0000 172.8638 46 R 4.1872 8.2167 117.8786 56.1904 31.4410 175.3775 47 V 4.7827 8.2221 123.4560 61.1912 33.8635 174.9673 48 L 4.6653 9.1671 127.7650 53.2351 43.5234 177.6582 49 E 4.1585 9.0144 120.4693 58.7135 29.5308 177.7338 50 N 4.7436 8.1585 114.9687 52.2602 37.5333 176.0834 51 G 4.0078 8.5817 108.4991 45.9709 0.0000 174.5403 52 Q 4.1812 8.1733 119.6012 55.7941 30.0993 175.1856 53 R 4.7789 8.4214 123.5978 54.6481 31.6431 175.5350 54 V 3.9743 8.6643 128.4194 61.5975 32.3174 173.7882 55 P 4.5004 0.0000 0.0000 62.0467 32.0051 176.7135 56 L 4.4216 8.4673 122.2467 55.3393 42.0683 177.2132 57 E 4.2095 9.3155 121.6134 57.0978 30.0106 176.6426 58 V 4.5561 7.4838 110.6682 59.7827 34.3110 174.1601 59 K 4.7307 9.3388 120.0159 54.4936 35.7074 175.5328 60 E 4.1993 8.5055 118.6240 58.1527 29.9464 175.9175 61 G 4.3195 9.8160 114.4583 45.9304 0.0000 173.9490 62 D 4.4857 7.4142 119.1599 54.4724 42.1722 176.3545 63 I 4.8213 8.4215 121.8952 60.0355 39.3932 175.2452 64 V 4.5795 8.5566 120.6757 59.7215 34.9058 175.0204 65 V 4.9699 8.9264 122.5226 61.3816 34.0551 174.4759 66 F 5.4747 8.7719 121.1829 54.6491 42.1116 173.5092 67 A 4.1696 8.2864 121.4571 52.3829 18.9848 177.5738 68 K 3.9089 8.5374 123.4987 57.8239 32.7284 176.5757 69 Y 3.9359 8.4754 119.9669 58.4801 35.8909 170.1201 70 G 3.9063 8.2262 109.0120 45.6558 0.0000 174.9474 71 G 3.8158 8.6116 108.8835 44.7459 0.0000 172.3567 72 T 4.6836 8.4553 114.6375 61.6199 71.4273 173.8091 73 E 4.7709 8.8261 125.7705 55.9133 30.7829 175.8691 74 I 4.6885 8.7235 123.6975 59.2798 41.7798 173.1292 75 E 5.2987 8.9503 129.4025 54.6005 32.3042 175.2483 76 I 4.5267 8.9353 126.9608 60.9684 40.7944 175.0470 77 D 4.4089 9.7951 125.7571 55.5277 38.0418 175.0656 78 G 3.9662 8.5693 105.7403 45.5486 0.0000 173.8678 79 E 4.5357 7.9798 119.6236 54.5535 31.3925 174.4104 80 E 5.0834 8.1516 121.3368 54.9055 31.7661 174.8428 81 Y 4.9672 9.0947 120.9073 56.1151 42.9030 174.4973 82 V 4.8274 8.7514 120.0926 61.3686 34.8589 174.1377 83 I 4.7482 8.6826 129.2831 60.1333 38.6763 174.8514 84 L 5.0317 8.5672 126.4277 52.8492 45.7482 176.5840 85 S 4.7510 8.4663 117.6504 57.6367 64.2083 174.9561 86 E 3.9742 9.1625 124.9758 59.4092 29.4099 179.4524 87 R 4.0899 7.9466 113.4073 58.2332 29.4129 176.6875 88 D 4.5930 8.3717 118.3851 54.4422 41.4195 175.8627 89 L 4.6063 7.5247 120.4503 53.8018 41.4071 176.7383 90 L 4.2737 8.7642 124.6110 57.0167 41.7691 177.3950 91 A 4.5687 7.7238 117.7148 51.1422 22.8094 174.2208 92 V 4.6039 8.2960 119.2309 61.5871 33.1125 175.0583 93 L 4.7202 9.5602 129.2399 53.2277 42.7450 176.7840 94 Q 4.0628 8.3943 121.3298 56.4120 28.6725 174.5991 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 1 M 8.30 4.24 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 2 I 7.50 3.84 1.64 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 0.80 0.00 0.00 3 K 9.09 4.27 0.00 1.67 1.70 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.42 7.81 4 P 0.00 4.39 0.00 2.05 1.93 0.00 3.69 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 2.06 2.06 0.00 5 L 8.38 4.56 0.00 1.68 1.55 0.91 1.24 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 6 G 8.11 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 7 D 8.60 5.05 0.00 2.85 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 5.21 0.00 1.70 1.84 0.00 3.14 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 9 V 8.73 4.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.91 0.00 0.00 10 V 9.06 4.89 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 0.84 0.00 0.00 0.87 0.00 0.00 11 V 8.86 5.00 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 0.58 0.00 0.00 0.81 0.00 0.00 12 K 8.73 4.63 0.00 1.94 1.71 0.00 1.36 0.00 0.00 1.33 0.00 0.00 2.77 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.36 7.81 13 R 8.72 4.60 0.00 1.98 1.85 0.00 3.27 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 14 I 7.91 4.63 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.91 0.00 0.00 *25 V 8.36 3.86 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 0.66 0.00 0.00 0.93 0.00 0.00 26 L 7.82 4.94 0.00 1.68 1.61 0.91 0.94 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 27 P 0.00 4.45 0.00 2.21 1.95 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 28 D 8.66 4.43 0.00 2.67 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 29 T 7.90 4.24 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 1.22 0.00 0.00 30 A 7.70 4.30 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 31 K 7.66 4.41 0.00 1.75 1.75 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.37 7.81 32 E 7.72 4.21 0.00 2.26 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 2.41 2.30 0.00 33 K 7.68 4.50 0.00 1.71 1.71 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.28 7.81 34 P 0.00 3.84 0.00 1.96 1.83 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 35 Q 8.19 4.41 0.00 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 36 K 8.28 5.04 0.00 1.63 1.66 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.29 7.81 37 G 9.27 4.61 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 38 K 8.85 5.15 0.00 1.85 1.69 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.58 7.81 39 V 8.87 4.32 2.25 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 0.92 0.00 0.00 0.98 0.00 0.00 40 I 8.98 4.50 1.91 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 1.46 0.85 1.06 0.00 0.00 41 A 7.60 4.76 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 42 V 8.36 4.58 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 0.74 0.00 0.00 0.92 0.00 0.00 43 G 8.89 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 0.00 0.00 0.00 44 T 8.60 4.16 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 45 G 8.93 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 46 R 8.22 4.19 0.00 1.91 1.80 0.00 3.13 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 47 V 8.22 4.78 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 0.87 0.00 0.00 0.93 0.00 0.00 48 L 9.17 4.67 0.00 1.79 1.55 0.92 0.88 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 49 E 9.01 4.16 0.00 1.95 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 2.32 2.26 0.00 50 N 8.16 4.74 0.00 2.81 2.88 0.00 0.00 6.16 7.00 0.00 0.00 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 8.58 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.17 4.18 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 53 R 8.42 4.78 0.00 1.80 1.82 0.00 3.22 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 54 V 8.66 3.97 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 0.88 0.00 0.00 0.93 0.00 0.00 55 P 0.00 4.50 0.00 1.97 1.96 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 56 L 8.47 4.42 0.00 1.63 1.61 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.32 4.21 0.00 2.01 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 2.30 2.28 0.00 58 V 7.48 4.56 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 0.83 0.00 0.00 0.93 0.00 0.00 59 K 9.34 4.73 0.00 1.83 1.87 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.38 7.81 60 E 8.51 4.20 0.00 1.98 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 2.32 2.32 0.00 61 G 9.82 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 0.00 0.00 0.00 0.00 62 D 7.41 4.49 0.00 2.73 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 63 I 8.42 4.82 2.06 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 0.98 0.95 0.00 0.00 64 V 8.56 4.58 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.08 0.00 0.00 65 V 8.93 4.97 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 0.96 0.00 0.00 0.90 0.00 0.00 66 F 8.77 5.47 0.00 3.18 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 67 A 8.29 4.17 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 68 K 8.54 3.91 0.00 1.41 1.29 0.00 1.48 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.37 1.03 7.81 69 Y 8.48 3.94 0.00 3.23 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 70 G 8.23 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 71 G 8.61 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.46 4.68 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 1.22 0.00 0.00 73 E 8.83 4.77 0.00 1.88 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 2.35 2.30 0.00 74 I 8.72 4.69 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.69 1.03 0.00 0.00 75 E 8.95 5.30 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 76 I 8.94 4.53 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.93 0.00 0.00 77 D 9.80 4.41 0.00 2.89 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 78 G 8.57 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 0.00 0.00 0.00 79 E 7.98 4.54 0.00 2.28 1.53 0.00 0.00 0.00 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 2.48 0.00 80 E 8.15 5.08 0.00 1.71 1.79 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 2.20 2.25 0.00 81 Y 9.09 4.97 0.00 2.90 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.75 4.83 1.92 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 0.83 0.00 0.00 0.97 0.00 0.00 83 I 8.68 4.75 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.88 0.00 0.00 84 L 8.57 5.03 0.00 1.38 1.36 -0.17 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.47 4.75 0.00 3.88 3.76 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 86 E 9.16 3.97 0.00 1.94 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 0.00 2.32 2.27 0.00 87 R 7.95 4.09 0.00 1.97 2.06 0.00 3.08 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 88 D 8.37 4.59 0.00 2.95 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 89 L 7.52 4.61 0.00 1.78 1.68 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.76 4.27 0.00 1.70 1.73 0.96 0.63 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 91 A 7.72 4.57 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 92 V 8.30 4.60 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 0.92 0.00 0.00 0.95 0.00 0.00 93 L 9.56 4.72 0.00 1.58 1.59 0.91 0.82 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 94 Q 8.39 4.06 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.