NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 5.0771 8.4293 117.7860 55.9341 30.3210 172.0893 1 M 4.6007 8.9391 120.3612 52.4939 34.2564 172.9260 2 Q 4.6289 8.3355 123.1542 55.6315 31.1631 175.6236 3 I 4.6445 8.5540 118.9922 59.0169 41.9355 173.8178 4 F 5.3695 9.0682 121.1935 55.6813 42.2085 174.6009 5 V 4.8628 9.0100 123.1093 61.0791 34.0736 174.3801 6 K 5.7523 9.2271 126.8186 53.6981 35.9916 176.7817 7 T 4.9371 8.3562 114.2650 60.3129 69.9983 174.9873 8 L 4.2822 8.2955 120.2756 56.4644 41.8234 178.0990 9 T 4.1334 7.4823 106.6832 61.7042 69.2069 175.8752 10 G 3.9165 7.9504 110.7285 45.0094 0.0000 173.9725 11 K 3.8825 7.9664 119.6962 57.2934 32.4388 175.5458 12 T 5.1210 8.4692 119.8446 61.6978 71.4432 173.2122 13 I 4.6899 8.9961 120.9046 59.3028 40.4687 174.5151 14 T 4.9916 8.4726 114.5890 60.3134 70.6513 173.7419 15 L 4.7652 8.7109 124.6555 52.9026 45.5898 175.2672 16 E 4.7756 8.7215 122.9316 55.5865 30.4860 175.8122 17 V 4.7442 8.7538 117.1821 59.7711 36.8326 174.0971 18 E 4.9583 9.0765 120.0399 53.9533 32.3924 176.2044 19 P 4.1798 0.0000 0.0000 65.5256 31.5542 178.2915 20 S 4.4167 7.8622 110.1472 58.8992 63.8900 174.0671 21 D 4.3721 8.2197 124.1381 54.4500 40.9758 176.4957 22 T 4.5185 8.3064 114.8046 61.3478 71.1326 175.5206 23 I 3.7612 8.7294 122.3818 64.3342 36.9206 178.3861 24 E 3.9526 8.4061 120.3402 59.2852 29.4125 178.4949 25 N 4.2801 8.4144 116.7407 56.5305 38.5806 177.4709 26 V 3.5848 7.6058 119.0484 65.9644 31.4958 178.2249 27 K 4.3391 8.3911 119.3853 58.7096 31.7843 179.1759 28 A 3.9735 8.2131 121.2102 55.1924 18.2980 179.6835 29 K 3.8686 8.1488 116.9895 59.8690 32.0785 179.6526 30 I 3.7496 8.0656 120.3210 64.2890 37.0129 178.2575 31 Q 4.1692 8.3759 122.2218 58.7901 28.6556 177.9876 32 D 4.4850 8.3476 119.4040 56.9144 40.9019 178.1746 33 K 4.3670 7.6522 116.7912 56.9907 32.8484 177.1185 34 E 4.4977 8.5596 116.6868 54.7483 31.5482 177.5867 35 G 3.8706 8.6695 106.4070 45.4241 0.0000 173.4963 36 I 4.0238 7.1529 121.8089 59.7738 37.7286 173.9435 37 P 4.5086 0.0000 0.0000 61.6227 32.2483 175.3994 38 P 4.2360 0.0000 0.0000 65.8991 31.3692 178.3822 39 D 4.3797 8.0944 115.5492 55.8400 39.5734 176.7861 40 Q 4.5966 8.3850 118.3985 55.6253 28.9936 174.2001 41 Q 4.9407 8.1277 118.7269 53.9771 31.6513 174.3724 42 R 4.6846 8.8085 124.4225 54.5309 32.5990 174.2819 43 L 5.1632 8.4744 125.9362 53.2947 44.4120 175.3935 44 I 5.0959 8.8786 123.6012 59.5084 41.0918 174.3030 45 F 5.0317 8.9044 127.7133 56.7795 42.6629 174.4032 46 A 3.3508 8.8078 128.9218 53.1438 15.6681 178.1177 47 G 3.9437 7.8591 106.7529 46.0034 0.0000 173.6677 48 K 4.2327 7.7807 120.8050 55.4219 32.9509 175.6173 49 Q 4.3699 8.5352 125.4780 55.8283 29.5168 175.0976 50 L 4.1411 8.6416 127.7118 54.1594 43.0174 176.1713 51 E 4.5043 9.1721 123.0317 55.1525 31.0135 176.7819 52 D 4.4135 9.2514 124.7477 57.7423 41.0421 179.5794 53 G 3.6528 8.0253 105.3211 47.6987 0.0000 173.7571 54 R 4.5049 7.8811 119.4836 55.6522 30.8295 176.4569 55 T 4.7488 8.2256 112.2434 60.7886 70.8372 175.6706 56 L 4.4783 8.5866 121.5127 57.7872 42.2067 180.4221 57 S 4.1858 8.4296 113.8555 61.0368 63.2938 176.1839 58 D 4.2074 7.7075 120.6684 56.8329 40.5171 176.7099 59 Y 4.5786 7.1958 114.0298 56.8793 38.0878 174.8191 60 N 4.1446 8.0812 117.0250 54.3899 37.9784 174.2384 61 I 3.4220 8.0599 118.0684 60.8540 37.1431 175.9772 62 Q 4.5468 8.2809 124.8313 53.1058 31.1929 174.9735 63 K 4.0401 8.3618 119.5799 58.4992 32.2862 175.9207 64 E 3.9062 9.6407 124.2819 57.2403 27.8278 174.9051 65 S 4.6012 7.8960 115.4874 58.9694 64.3405 173.3358 66 T 5.2238 8.7255 118.5818 62.1334 70.4604 173.8291 67 L 4.9621 9.3035 126.9594 53.8375 44.6174 175.1472 68 H 5.3054 9.3753 118.4282 54.1019 31.2088 173.1329 69 L 5.0036 8.7101 125.8146 53.7535 43.7780 175.4971 70 V 4.5568 8.6516 119.4278 58.9287 35.5307 174.9350 71 L 4.2988 8.6449 126.3194 55.4222 42.7329 175.9364 72 R 4.5092 8.4842 127.1104 54.8068 31.1023 175.7624 73 L 4.4624 8.5172 128.9307 53.6086 43.4835 177.7706 74 R 4.1294 8.4549 116.9536 56.9008 29.2178 175.9882 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 0 H 8.43 5.08 0.00 3.05 3.40 0.00 5.61 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 1 M 8.94 4.60 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 2 Q 8.34 4.63 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 1.67 2.02 0.00 3 I 8.55 4.64 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.03 0.78 0.00 0.00 4 F 9.07 5.37 0.00 3.01 2.93 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 5 V 9.01 4.86 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 1.05 0.00 0.00 0.93 0.00 0.00 6 K 9.23 5.75 0.00 1.63 1.64 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.22 7.81 7 T 8.36 4.94 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 1.23 0.00 0.00 8 L 8.30 4.28 0.00 1.67 1.76 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.48 4.13 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 1.21 0.00 0.00 10 G 7.95 3.92 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 0.00 0.00 0.00 11 K 7.97 3.88 0.00 1.84 1.79 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.49 7.81 12 T 8.47 5.12 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 1.25 0.00 0.00 13 I 9.00 4.69 1.89 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 1.45 1.30 0.99 0.00 0.00 14 T 8.47 4.99 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 1.49 0.00 0.00 15 L 8.71 4.77 0.00 1.46 1.49 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.72 4.78 0.00 1.76 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 2.20 0.00 17 V 8.75 4.74 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 0.71 0.00 0.00 0.93 0.00 0.00 18 E 9.08 4.96 0.00 1.86 1.76 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 2.03 2.25 0.00 19 P 0.00 4.18 0.00 2.15 2.09 0.00 3.54 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 20 S 7.86 4.42 0.00 3.96 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 21 D 8.22 4.37 0.00 2.87 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 22 T 8.31 4.52 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 1.22 0.00 0.00 23 I 8.73 3.76 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.34 0.91 0.00 0.00 24 E 8.41 3.95 0.00 2.19 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 2.31 2.41 0.00 25 N 8.41 4.28 0.00 3.04 2.86 0.00 0.00 6.66 8.53 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 26 V 7.61 3.58 2.21 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 1.10 0.00 0.00 0.96 0.00 0.00 27 K 8.39 4.34 0.00 2.02 1.84 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.55 7.81 28 A 8.21 3.97 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 29 K 8.15 3.87 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.70 7.81 30 I 8.07 3.75 2.14 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.91 0.00 0.00 31 Q 8.38 4.17 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 32 D 8.35 4.49 0.00 2.86 2.72 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 33 K 7.65 4.37 0.00 1.70 1.85 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.62 7.81 34 E 8.56 4.50 0.00 2.00 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 0.00 2.31 2.36 0.00 35 G 8.67 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 36 I 7.15 4.02 1.87 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 1.30 1.28 0.91 0.00 0.00 37 P 0.00 4.51 0.00 2.45 1.96 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.24 0.00 2.17 2.28 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 39 D 8.09 4.38 0.00 2.78 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 40 Q 8.39 4.60 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 8.13 4.94 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 42 R 8.81 4.68 0.00 1.92 1.86 0.00 3.11 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 43 L 8.47 5.16 0.00 1.60 1.52 0.90 0.74 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 44 I 8.88 5.10 1.91 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 1.10 0.74 0.94 0.00 0.00 45 F 8.90 5.03 0.00 2.96 2.72 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 46 A 8.81 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.86 3.94 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 0.00 48 K 7.78 4.23 0.00 2.07 1.74 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.40 7.81 49 Q 8.54 4.37 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.64 4.14 0.00 1.47 1.27 0.75 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.17 4.50 0.00 2.07 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 2.34 2.43 0.00 52 D 9.25 4.41 0.00 2.72 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 53 G 8.03 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 0.00 0.00 0.00 54 R 7.88 4.50 0.00 1.98 1.81 0.00 2.98 0.00 0.00 2.92 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 55 T 8.23 4.75 4.43 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 1.25 0.00 0.00 56 L 8.59 4.48 0.00 1.76 1.69 0.94 0.93 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 57 S 8.43 4.19 0.00 4.00 4.10 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 0.00 0.00 0.00 58 D 7.71 4.21 0.00 2.54 2.34 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 59 Y 7.20 4.58 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 60 N 8.08 4.14 0.00 2.89 3.00 0.00 0.00 7.12 7.56 0.00 0.00 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 I 8.06 3.42 1.82 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.30 0.59 0.00 0.00 62 Q 8.28 4.55 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 63 K 8.36 4.04 0.00 1.69 1.73 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.45 7.81 64 E 9.64 3.91 0.00 2.15 2.32 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 2.28 2.50 0.00 65 S 7.90 4.60 0.00 3.78 3.73 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 66 T 8.73 5.22 4.35 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 0.00 0.00 1.17 0.00 0.00 67 L 9.30 4.96 0.00 1.56 1.61 0.84 0.70 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 68 H 9.38 5.31 0.00 3.02 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.71 5.00 0.00 1.78 1.55 0.98 0.82 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 70 V 8.65 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 0.74 0.00 0.00 1.01 0.00 0.00 71 L 8.64 4.30 0.00 1.64 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.48 4.51 0.00 1.86 1.82 0.00 3.31 0.00 0.00 3.43 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 73 L 8.52 4.46 0.00 1.67 1.59 0.92 0.94 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 74 R 8.45 4.13 0.00 1.83 1.72 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00