# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 42.38 16.26 16.97 33.11 123.51 -168.42 -112.89 137.82 96.82 3.18 0.00 96.43 0.12 0.01 0.00 0.00 0.00 3.42 0.02 1 Q E E 82.27 8.40 21.13 30.05 118.18 -143.61 -101.56 131.15 8.52 91.47 0.01 8.73 0.11 0.01 0.00 0.00 0.00 90.90 0.23 2 I E E 11.17 22.00 15.04 37.29 124.14 -166.33 -119.64 135.86 1.33 98.67 0.00 1.29 0.04 0.00 0.00 0.00 0.00 98.64 0.02 3 F E E 57.39 8.97 24.50 34.51 117.12 -151.50 -104.96 128.71 0.29 99.71 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 4 V E E 5.85 23.84 16.45 40.75 122.80 -169.08 -116.97 133.45 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 5 K E E 80.33 7.71 23.67 31.91 115.70 -145.42 -101.71 124.29 1.67 98.31 0.01 1.47 0.09 0.01 0.00 0.00 0.00 98.33 0.09 6 T C C 13.65 18.39 13.54 32.26 124.41 -151.28 -90.61 166.90 67.39 32.52 0.09 66.01 0.83 0.14 0.02 0.05 0.00 31.99 0.96 7 L C T 87.84 10.20 15.07 26.07 91.55 -99.48 -63.93 -23.10 98.24 1.10 0.66 1.07 6.84 90.40 0.02 0.66 0.00 0.89 0.12 8 T C T 84.85 4.20 15.33 20.56 93.96 58.12 -87.18 -0.24 99.16 0.23 0.61 0.70 6.85 91.63 0.02 0.61 0.00 0.14 0.05 9 G C S 49.31 3.36 15.05 19.50 98.34 -101.05 88.68 4.39 98.85 0.78 0.37 15.38 81.82 1.80 0.03 0.29 0.00 0.47 0.21 10 K C C 100.08 5.52 14.71 22.07 118.02 134.45 -79.65 143.41 96.65 3.33 0.02 95.30 1.47 0.10 0.00 0.01 0.00 2.92 0.19 11 T E E 74.85 9.78 14.97 26.08 123.80 -149.89 -116.99 137.15 1.95 98.05 0.00 1.86 0.07 0.00 0.00 0.00 0.00 97.89 0.18 12 I E E 29.97 15.68 15.79 32.40 124.22 -170.34 -122.69 135.86 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 13 T E E 72.81 8.57 20.31 29.92 120.87 -154.38 -111.54 132.63 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.72 0.01 14 L E E 20.15 19.62 15.11 34.83 127.21 -175.69 -127.85 140.08 2.39 97.61 0.00 2.37 0.06 0.00 0.00 0.00 0.00 97.52 0.06 15 E E E 115.57 4.88 24.06 29.80 114.56 -138.96 -97.79 126.53 12.17 87.82 0.01 11.67 0.42 0.02 0.00 0.00 0.00 87.76 0.11 16 V E C 11.12 23.24 12.36 35.28 131.67 175.95 -133.07 151.83 49.84 50.14 0.01 49.96 0.99 0.03 0.00 0.01 0.00 46.51 2.50 17 E C C 99.41 3.84 24.46 27.69 116.46 -123.17 -85.66 143.00 99.03 0.96 0.01 99.07 0.23 0.02 0.00 0.00 0.00 0.59 0.09 18 P C T 47.06 17.96 13.18 30.67 91.16 -115.34 -60.54 -25.03 99.69 0.11 0.20 0.35 2.02 97.38 0.01 0.15 0.00 0.07 0.02 19 S C T 81.84 2.43 20.84 23.42 92.51 58.11 -89.23 -3.42 99.74 0.08 0.18 0.39 1.87 97.52 0.01 0.16 0.00 0.05 0.01 20 D C C 31.31 13.96 14.30 29.66 117.03 116.23 -70.83 143.83 98.54 1.37 0.09 71.88 26.78 0.19 0.02 0.07 0.00 0.70 0.37 21 T E B 45.25 7.06 24.03 31.52 123.14 -127.04 -86.49 160.47 14.81 85.10 0.08 11.01 0.27 0.01 0.07 0.00 0.00 3.70 84.94 22 I H H 10.15 24.54 14.52 39.57 90.53 -111.84 -58.18 -39.38 1.88 0.02 98.10 0.24 0.22 1.33 97.77 0.42 0.01 0.01 0.01 23 E H H 107.52 6.01 22.21 29.04 91.07 55.15 -62.66 -40.63 0.74 0.00 99.25 0.08 0.04 0.52 99.07 0.27 0.00 0.00 0.00 24 N H H 82.33 3.86 24.24 27.81 92.05 48.82 -65.88 -40.15 0.48 0.00 99.52 0.11 0.04 0.29 99.22 0.34 0.00 0.00 0.00 25 V H H 5.14 22.75 17.55 40.54 91.75 49.94 -64.53 -43.46 0.37 0.00 99.62 0.09 0.03 0.20 99.53 0.15 0.00 0.00 0.00 26 K H H 52.60 17.89 19.74 36.44 91.45 52.21 -61.98 -42.82 0.36 0.00 99.64 0.06 0.02 0.21 99.63 0.08 0.00 0.00 0.00 27 A H H 53.30 2.98 23.11 25.39 91.37 50.99 -63.22 -42.12 0.86 0.00 99.13 0.09 0.05 0.64 99.01 0.21 0.00 0.00 0.00 28 K H H 87.50 5.85 21.92 28.11 92.06 49.33 -65.61 -41.03 2.33 0.01 97.65 0.21 0.14 1.84 97.43 0.36 0.00 0.01 0.00 29 I H H 7.88 20.92 14.05 35.44 92.01 49.28 -65.17 -42.33 4.96 0.09 94.96 0.76 0.62 3.45 94.56 0.52 0.02 0.03 0.03 30 Q H H 72.80 10.60 15.48 26.68 92.28 51.08 -64.35 -40.61 13.18 0.37 86.45 3.70 1.85 7.56 85.63 0.90 0.04 0.16 0.16 31 D H H 117.30 1.00 17.47 16.99 93.45 47.97 -69.39 -35.50 24.39 0.26 75.35 4.73 3.27 16.25 73.97 1.49 0.06 0.11 0.12 32 K H H 122.89 4.54 14.97 20.62 97.74 44.37 -79.75 -32.60 36.94 0.29 62.77 3.11 6.62 27.07 60.86 1.96 0.10 0.10 0.19 33 E H H 90.93 8.83 13.41 23.02 101.12 25.44 -101.10 -4.95 47.21 0.37 52.41 4.38 11.47 30.98 51.02 1.65 0.10 0.11 0.29 34 G C C 57.96 1.68 18.25 19.55 95.66 -115.60 75.96 17.00 99.62 0.11 0.27 56.61 11.32 31.72 0.10 0.13 0.00 0.05 0.06 35 I C C 27.24 16.96 9.45 26.56 116.57 144.72 -90.54 132.61 99.59 0.39 0.02 91.51 7.96 0.05 0.01 0.00 0.00 0.09 0.38 36 P C C 60.94 3.70 20.68 24.48 112.50 -109.88 -64.95 144.59 99.94 0.05 0.01 99.75 0.20 0.02 0.00 0.00 0.00 0.01 0.02 37 P H G 58.66 15.93 11.82 27.24 91.99 -118.34 -58.21 -35.08 10.14 0.07 89.79 1.00 0.84 6.03 0.41 91.67 0.00 0.04 0.00 38 D H G 114.78 2.13 18.98 21.49 90.87 61.41 -70.79 -13.97 10.12 0.11 89.76 0.54 0.77 6.99 0.39 91.22 0.00 0.08 0.00 39 Q H G 82.66 8.63 18.00 27.57 96.85 57.35 -96.31 -0.14 10.45 0.41 89.14 1.94 1.43 5.06 0.43 90.81 0.00 0.32 0.01 40 Q C E 24.13 21.60 13.84 34.97 120.07 95.32 -97.68 138.50 50.40 48.98 0.62 43.79 6.72 0.43 0.17 0.46 0.00 46.68 1.75 41 R E E 93.41 9.48 26.11 35.92 129.07 -174.06 -131.67 141.21 7.14 92.80 0.06 7.25 0.23 0.03 0.03 0.02 0.00 91.72 0.73 42 L E E 6.64 24.63 18.16 43.24 115.99 -140.90 -98.85 128.02 2.15 97.83 0.02 1.84 0.18 0.01 0.01 0.01 0.00 97.92 0.04 43 I E E 33.26 11.94 23.99 36.89 123.50 -168.63 -117.99 134.15 1.04 98.94 0.02 0.87 0.10 0.02 0.00 0.01 0.00 98.96 0.04 44 F E E 27.68 19.74 15.44 34.84 122.87 -173.93 -127.18 127.20 1.76 98.19 0.05 1.20 0.45 0.13 0.02 0.03 0.00 97.60 0.57 45 A C T 57.20 10.58 16.17 27.52 94.98 -25.40 52.66 48.36 99.11 0.64 0.25 0.31 2.33 96.73 0.01 0.16 0.00 0.41 0.04 46 G C T 61.03 1.84 17.09 18.94 95.24 -43.27 81.73 1.62 99.71 0.15 0.14 0.38 2.84 96.55 0.01 0.12 0.00 0.10 0.01 47 C E E 63.30 7.36 14.47 23.64 124.16 102.73 -110.25 140.94 3.85 96.12 0.03 2.29 1.40 0.18 0.01 0.02 0.00 95.02 1.08 48 Q E E 114.01 5.32 18.43 25.22 114.16 -124.17 -84.90 131.91 5.79 94.19 0.02 5.09 0.49 0.04 0.01 0.01 0.00 93.42 0.94 49 L C C 16.77 22.73 9.32 31.16 116.27 -126.96 -83.41 135.12 77.48 22.49 0.03 76.73 0.90 0.07 0.00 0.02 0.00 21.61 0.67 50 E C C 124.17 2.69 21.41 23.85 119.44 -144.05 -96.84 142.70 98.76 1.17 0.07 97.79 0.98 0.22 0.01 0.03 0.00 0.62 0.35 51 D C T 96.57 8.11 14.12 23.41 107.82 -90.17 -60.82 132.00 99.35 0.25 0.40 0.97 3.72 94.73 0.05 0.30 0.00 0.13 0.10 52 G C T 52.15 3.54 17.95 22.26 96.13 21.31 86.16 -2.49 99.61 0.12 0.27 1.58 3.26 94.79 0.02 0.24 0.00 0.08 0.02 53 R C C 84.45 9.47 15.46 26.38 119.56 126.78 -80.92 147.25 96.11 3.79 0.10 75.25 20.94 0.31 0.03 0.09 0.00 2.19 1.18 54 T E B 38.73 8.75 20.87 30.68 122.78 -129.49 -88.62 156.97 15.87 84.05 0.08 11.56 0.47 0.02 0.06 0.01 0.00 6.45 81.43 55 L H G 9.59 24.64 12.71 37.64 91.26 -112.15 -59.50 -35.90 31.13 0.66 68.21 2.36 3.24 25.17 5.47 63.14 0.00 0.43 0.19 56 S H G 65.83 6.99 18.21 26.26 91.22 60.35 -65.09 -32.06 23.16 0.11 76.73 0.73 1.27 20.33 6.44 71.13 0.00 0.07 0.03 57 D H G 102.02 2.64 19.16 21.92 91.59 56.07 -72.07 -22.66 20.38 0.11 79.51 0.93 1.61 17.17 8.18 72.00 0.00 0.06 0.04 58 Y C G 50.41 17.14 12.78 29.57 99.10 51.70 -98.99 6.04 53.96 0.56 45.49 4.74 13.94 34.41 8.08 38.06 0.02 0.27 0.47 59 N C T 117.10 2.55 22.56 25.04 94.98 -121.56 59.15 42.26 95.90 1.47 2.63 22.99 6.07 67.27 0.63 1.74 0.00 0.86 0.44 60 I C C 12.61 24.70 8.76 32.44 115.09 172.51 -82.92 132.95 91.43 8.13 0.44 89.45 1.83 0.27 0.22 0.13 0.00 3.01 5.09 61 Q C C 101.81 3.30 22.44 25.55 126.74 -160.84 -111.03 160.17 96.04 3.43 0.53 94.68 1.15 0.53 0.17 0.20 0.00 1.71 1.55 62 K C T 126.31 7.64 15.91 24.53 102.03 -87.99 -62.69 8.17 93.92 2.86 3.22 2.40 11.75 80.21 0.34 2.67 0.00 2.22 0.41 63 E C T 133.89 3.50 19.44 23.36 95.89 29.80 32.10 7.81 94.07 2.82 3.11 3.61 9.86 80.19 0.23 3.00 0.00 2.94 0.17 64 S C C 20.33 15.48 14.10 30.34 117.71 131.44 -76.69 148.52 91.62 7.29 1.09 74.67 15.29 1.30 0.13 1.13 0.00 6.95 0.53 65 T E E 50.90 9.92 23.38 33.81 120.59 -138.26 -110.73 134.53 17.22 82.65 0.13 16.35 0.93 0.14 0.04 0.08 0.00 81.65 0.80 66 L E E 6.97 24.74 17.21 42.26 123.58 -166.88 -117.20 135.02 1.85 98.12 0.03 1.82 0.09 0.02 0.01 0.02 0.00 97.95 0.10 67 H E E 57.95 10.74 26.39 37.69 117.90 -154.31 -107.16 127.32 1.05 98.91 0.04 1.02 0.05 0.01 0.01 0.02 0.00 98.87 0.02 68 L E E 8.29 24.30 18.35 42.88 119.37 -163.10 -109.44 128.90 1.18 98.78 0.04 1.17 0.05 0.01 0.01 0.02 0.00 98.72 0.03 69 V E E 37.99 10.50 24.95 36.32 119.80 -164.89 -114.97 127.87 2.38 97.60 0.02 2.28 0.10 0.01 0.01 0.01 0.00 97.52 0.07 70 L E E 24.00 20.53 16.87 37.13 120.54 -160.96 -109.91 132.00 7.49 92.45 0.06 7.09 0.34 0.04 0.02 0.03 0.00 92.27 0.20 71 R E E 108.10 7.62 20.92 29.25 118.28 -154.93 -103.68 129.88 21.40 78.37 0.23 19.37 1.43 0.28 0.06 0.13 0.00 78.29 0.44 72 L E E 64.49 14.34 12.21 26.55 116.38 -146.73 -91.05 132.42 49.32 49.91 0.78 42.13 4.78 1.51 0.21 0.55 0.00 49.37 1.45 73 R C C 147.44 4.37 13.15 19.18 116.33 -152.68 -99.39 135.02 69.90 28.89 1.21 49.11 12.30 8.33 0.27 1.06 0.00 26.75 2.18 74 G C C 57.43 2.31 12.56 16.05 113.49 -1.62 85.19 164.53 90.07 9.33 0.60 70.43 7.93 11.28 0.10 0.49 0.00 8.78 0.98 75 G C C 52.39 3.24 13.83 18.41 112.27 9.51 85.31 -43.59 99.77 0.22 0.01 99.46 0.26 0.10 0.00 0.00 0.00 0.16 0.01