NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 87 R 4.2963 8.2544 120.8656 55.9194 30.8287 174.8880 88 Y 4.0829 8.6342 127.3148 56.6400 39.4344 173.2481 89 R 4.2324 8.2501 126.9174 54.2352 33.8548 174.3394 90 T 3.4325 7.9205 122.0786 63.5883 68.8900 174.2972 91 T 4.1454 7.8731 123.4192 61.6848 68.2201 174.4812 92 F 4.7028 8.1136 125.9391 57.2388 39.8297 176.6862 93 T 4.3023 8.9050 115.8554 61.1941 70.8431 175.8658 94 S 4.0996 8.7288 117.5150 61.8455 62.7207 176.2876 95 F 4.0687 8.3093 123.5114 61.2458 39.0443 176.6814 96 Q 3.6815 8.1949 117.2895 59.0105 28.5926 179.2837 97 L 3.5396 7.9287 120.0161 57.6237 41.6276 179.4830 98 E 3.8699 8.3595 117.9295 59.4529 29.4262 179.0630 99 E 3.6674 7.6474 119.4974 58.7874 29.3446 179.2324 100 L 3.3773 7.4833 119.3478 57.5876 41.5134 179.4815 101 E 4.1009 7.7585 118.3563 59.3498 29.2438 179.5777 102 K 3.9973 8.1987 118.4760 59.4040 32.1060 179.2773 103 A 4.0839 8.1983 121.1205 54.9844 18.0211 179.3906 104 F 4.6895 7.7515 119.6516 60.6709 39.5224 177.5797 105 S 4.2256 7.9510 113.9015 61.4036 62.7178 176.2040 106 R 4.0497 7.3084 119.6209 58.0507 30.4154 176.7727 107 T 4.3798 7.3781 110.6433 61.2763 70.6180 174.0050 108 H 4.0693 8.4590 124.4037 57.9514 29.2789 175.4591 109 Y 4.6414 7.2833 116.5493 55.0237 37.9286 172.7151 110 P 4.2739 0.0000 0.0000 61.8416 32.7376 177.6455 111 D 4.5962 8.4657 121.5427 53.3251 41.2069 177.8351 112 V 3.6255 8.2669 112.2530 64.5078 31.3567 178.6643 113 F 4.2707 8.1652 119.8465 61.5972 39.3194 177.1023 114 T 3.4510 7.8571 114.8955 66.5325 68.1785 176.3987 115 R 3.7657 7.7913 120.6065 59.3417 30.1629 178.4300 116 E 3.9484 8.4601 117.8619 59.3236 29.7274 178.9366 117 E 3.8211 8.2401 119.9763 59.0255 29.3723 179.0409 118 L 3.8649 8.0427 120.3498 57.9079 42.2657 178.7204 119 A 4.0432 8.1524 120.9292 55.6589 18.1110 179.5317 120 M 4.0414 7.8148 115.7955 58.2472 32.0383 178.7583 121 K 4.1738 7.7254 118.7320 58.9274 32.5862 178.1488 122 I 4.6064 7.7185 109.6598 59.7884 37.9539 175.4242 123 G 3.9499 8.0604 107.4028 47.0264 0.0000 173.7635 124 L 4.9089 7.7371 117.6923 52.2379 45.0145 177.2711 125 T 4.2286 8.1741 111.0940 61.4895 71.0064 175.4087 126 E 3.9709 8.7900 121.7971 59.6210 29.5398 179.3768 127 A 4.0598 8.0981 120.1836 55.5850 18.3790 179.8504 128 R 4.1065 8.2293 116.3350 59.2094 30.0103 179.4753 129 I 3.8526 7.8637 119.5588 64.4155 37.0824 177.8889 130 Q 4.0789 8.6796 120.8327 59.4507 28.7530 178.9589 131 V 3.6498 8.1177 118.9105 65.8786 31.5700 177.5466 132 W 4.1219 8.7300 128.4799 60.7974 30.3110 177.9402 133 F 3.9353 8.9523 117.9570 60.3692 38.5074 177.6829 134 Q 4.0292 8.4968 118.1309 59.2863 28.5722 178.8182 135 N 4.3158 8.2589 117.3285 55.8222 38.4350 177.6504 136 R 3.1331 7.4080 120.6800 58.9837 29.8145 178.7727 137 R 4.0665 8.0622 117.9809 59.2045 30.0485 178.9039 138 A 4.0475 7.8826 120.2481 54.8054 18.2279 179.6388 139 K 3.7548 7.9327 118.1957 59.3277 32.1020 178.6962 140 W 4.0869 8.1193 127.5127 60.5043 30.9551 177.2357 141 R 3.8636 8.6141 118.9085 59.7212 29.2750 178.5981 142 K 4.0220 7.7811 116.6637 59.0105 31.9545 178.2444 143 Q 4.3348 7.3442 115.8549 56.3334 28.8900 175.8599 144 E 4.0890 7.7163 126.0044 57.0921 30.3344 175.5873 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 87 R 8.25 4.30 0.00 1.80 1.94 0.00 3.22 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 88 Y 8.63 4.08 0.00 2.96 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 89 R 8.25 4.23 0.00 1.58 1.50 0.00 3.17 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.42 0.00 90 T 7.92 3.43 3.58 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 0.73 0.00 0.00 91 T 7.87 4.15 4.17 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 1.18 0.00 0.00 92 F 8.11 4.70 0.00 3.07 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 93 T 8.91 4.30 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 1.29 0.00 0.00 94 S 8.73 4.10 0.00 4.10 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 0.00 95 F 8.31 4.07 0.00 3.13 3.14 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 0.00 0.00 0.00 0.00 96 Q 8.19 3.68 0.00 2.30 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 97 L 7.93 3.54 0.00 1.94 1.63 0.82 1.22 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 98 E 8.36 3.87 0.00 2.03 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 0.00 2.47 2.26 0.00 99 E 7.65 3.67 0.00 1.56 1.67 0.00 0.00 0.00 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 1.49 0.00 100 L 7.48 3.38 0.00 0.36 0.13 -0.75 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.76 4.10 0.00 2.09 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 2.49 2.51 0.00 102 K 8.20 4.00 0.00 1.90 1.81 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 103 A 8.20 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 104 F 7.75 4.69 0.00 3.02 3.28 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 0.00 105 S 7.95 4.23 0.00 3.94 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 0.00 106 R 7.31 4.05 0.00 1.99 2.01 0.00 3.20 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 107 T 7.38 4.38 4.20 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 1.20 0.00 0.00 108 H 8.46 4.07 0.00 2.85 2.77 0.00 5.89 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 7.28 4.64 0.00 2.84 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 0.00 110 P 0.00 4.27 0.00 1.91 1.82 0.00 3.25 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.00 111 D 8.47 4.60 0.00 2.99 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 0.00 112 V 8.27 3.63 2.13 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 0.83 0.00 0.00 0.98 0.00 0.00 113 F 8.17 4.27 0.00 3.06 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 0.00 114 T 7.86 3.45 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 1.11 0.00 0.00 115 R 7.79 3.77 0.00 1.88 2.06 0.00 3.08 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 116 E 8.46 3.95 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 117 E 8.24 3.82 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 2.12 1.59 0.00 118 L 8.04 3.86 0.00 1.84 1.71 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.15 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.81 4.04 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 121 K 7.73 4.17 0.00 1.91 1.98 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.51 7.81 122 I 7.72 4.61 1.79 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.77 0.76 0.00 0.00 123 G 8.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 4.91 0.00 1.65 1.68 0.93 1.20 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 0.00 125 T 8.17 4.23 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 1.26 0.00 0.00 126 E 8.79 3.97 0.00 2.06 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 2.40 2.40 0.00 127 A 8.10 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.23 4.11 0.00 2.18 2.27 0.00 3.27 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 129 I 7.86 3.85 2.11 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 1.38 0.76 1.07 0.00 0.00 130 Q 8.68 4.08 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 131 V 8.12 3.65 2.24 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 1.11 0.00 0.00 1.05 0.00 0.00 132 W 8.73 4.12 0.00 3.51 3.34 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 0.00 133 F 8.95 3.94 0.00 3.58 3.14 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 0.00 0.00 0.00 0.00 134 Q 8.50 4.03 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.74 0.00 135 N 8.26 4.32 0.00 2.42 2.63 0.00 0.00 6.71 7.49 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 0.00 136 R 7.41 3.13 0.00 0.67 0.85 0.00 2.32 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 137 R 8.06 4.07 0.00 1.95 2.04 0.00 2.71 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 138 A 7.88 4.05 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 0.00 139 K 7.93 3.75 0.00 1.75 1.78 0.00 1.46 0.00 0.00 1.37 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 140 W 8.12 4.09 0.00 3.36 3.52 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 0.00 141 R 8.61 3.86 0.00 2.34 2.08 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 142 K 7.78 4.02 0.00 1.88 1.80 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.51 7.81 143 Q 7.34 4.33 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 144 E 7.72 4.09 0.00 1.56 1.64 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 2.04 2.05 0.00