# 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 110.28 6.10 12.58 20.11 117.23 -157.29 -96.94 134.83 99.89 0.09 0.02 99.88 0.05 0.02 0.01 0.00 0.00 0.04 0.01 1 V C C 96.80 4.90 11.10 17.64 115.04 -136.48 -88.43 133.66 76.08 7.81 16.11 72.74 1.02 2.92 14.32 1.75 0.00 4.31 2.94 2 L C C 94.60 6.62 9.89 17.98 109.34 -141.26 -85.57 123.38 65.71 6.59 27.71 51.20 7.93 5.87 25.20 3.81 0.01 4.01 1.96 3 A C C 57.93 6.41 11.73 19.50 106.00 -143.04 -82.21 54.91 50.35 5.54 44.11 40.55 5.59 5.20 37.72 5.81 0.01 3.75 1.37 4 V H H 79.12 5.97 12.20 19.56 99.05 95.84 -74.18 -32.05 21.66 3.51 74.84 12.95 4.32 6.27 58.82 14.04 0.08 2.87 0.64 5 D H H 83.74 5.46 12.89 19.69 96.96 58.21 -74.31 -19.42 19.87 2.31 77.82 10.66 3.27 6.75 59.30 17.58 0.07 1.88 0.47 6 L H H 90.58 7.30 12.15 20.50 95.42 59.73 -73.06 -24.99 23.23 1.23 75.54 7.18 4.11 12.26 59.30 15.70 0.20 0.83 0.42 7 L H H 96.02 5.82 13.27 20.22 98.67 51.60 -86.59 -13.89 38.74 1.48 59.78 7.14 10.66 23.48 49.75 6.94 0.48 0.65 0.90 8 N C S 100.37 4.10 13.50 18.98 108.52 40.48 -118.32 86.02 98.51 1.09 0.40 28.62 69.03 1.05 0.27 0.10 0.00 0.40 0.53 9 P C C 53.74 10.29 9.29 20.78 117.82 -150.50 -72.15 151.69 98.31 1.44 0.25 89.97 7.73 0.53 0.14 0.09 0.00 0.49 1.06 10 S C C 60.55 2.72 14.94 18.09 115.90 -104.23 -72.05 153.88 99.31 0.30 0.39 97.40 1.79 0.15 0.32 0.04 0.00 0.08 0.23 11 P H H 90.11 4.59 11.29 17.64 92.38 -110.60 -58.10 -37.55 6.62 0.05 93.34 2.36 1.08 3.27 91.44 1.81 0.01 0.02 0.02 12 A H H 74.10 1.62 13.62 15.22 92.42 53.11 -64.76 -39.38 4.56 0.08 95.36 1.40 0.58 2.70 92.98 2.25 0.01 0.05 0.02 13 S H H 54.65 2.68 13.71 17.20 92.57 49.42 -66.14 -39.36 3.08 0.14 96.78 1.35 0.45 1.52 94.00 2.54 0.01 0.12 0.02 14 E H H 70.02 6.25 11.73 20.05 92.57 51.56 -65.51 -40.15 2.41 0.10 97.49 1.06 0.35 1.12 96.15 1.23 0.01 0.07 0.02 15 A H H 54.40 4.40 12.98 18.93 92.45 52.48 -64.88 -38.91 4.20 0.12 95.67 1.27 0.44 2.44 94.38 1.36 0.01 0.08 0.03 16 R H H 156.53 1.60 14.67 16.16 93.24 50.68 -67.83 -35.56 9.16 0.10 90.73 1.33 0.76 6.66 89.72 1.43 0.02 0.05 0.03 17 K H H 129.00 2.88 14.28 17.90 94.54 51.63 -73.55 -27.73 24.09 0.26 75.65 3.53 2.74 17.56 74.39 1.52 0.03 0.10 0.12 18 H C H 89.72 7.80 11.33 20.49 101.50 57.26 -88.38 6.27 57.49 2.01 40.50 24.14 9.25 23.27 38.87 2.67 0.04 0.96 0.80 19 K C C 118.70 4.24 14.08 19.58 102.01 115.64 -73.32 27.03 54.81 6.87 38.32 37.80 7.17 9.86 32.26 6.39 0.07 4.00 2.45 20 L H H 88.79 7.35 12.22 20.79 99.60 69.99 -70.81 -27.85 41.12 5.18 53.71 23.52 7.05 10.80 34.90 18.80 0.07 3.55 1.31 21 K H H 127.14 4.66 13.75 19.67 96.88 68.14 -74.43 -23.24 41.51 6.29 52.20 20.75 7.73 13.04 31.05 21.41 0.15 4.39 1.48 22 T C H 83.81 4.68 13.82 19.63 100.50 58.46 -83.24 -14.24 46.92 8.64 44.44 22.99 9.69 14.91 24.76 19.38 0.21 5.87 2.19 23 L C C 84.70 8.12 12.65 21.77 100.15 63.31 -84.05 -19.02 66.17 9.51 24.32 33.04 21.89 12.60 16.11 7.31 0.15 5.11 3.79 24 V C S 65.04 9.09 10.91 21.34 116.72 64.03 -104.44 128.11 89.35 6.03 4.62 39.78 39.99 10.04 2.89 1.73 0.01 3.41 2.16 25 P C C 93.56 3.76 13.83 18.86 104.01 -119.17 -72.73 95.18 95.57 1.90 2.52 46.97 33.39 15.36 0.82 1.67 0.00 1.10 0.69 26 A C C 56.13 6.75 11.65 19.95 119.47 61.84 -106.19 134.98 95.91 2.49 1.61 56.47 34.66 4.65 0.36 1.27 0.00 1.08 1.52 27 P C T 83.58 5.93 13.05 20.40 105.90 -99.29 -68.53 132.89 89.00 0.97 10.03 26.08 16.04 46.00 1.01 9.91 0.00 0.52 0.43 28 R C T 152.53 4.99 15.02 21.06 102.05 -30.36 -82.39 36.86 85.97 2.59 11.44 22.97 17.34 45.38 1.25 10.65 0.00 1.58 0.82 29 S C C 39.60 12.54 13.43 26.57 117.82 120.39 -97.94 138.90 79.07 10.60 10.33 52.44 15.15 11.14 1.33 9.89 0.00 8.42 1.65 30 F C C 85.53 10.87 17.57 28.87 116.03 -170.91 -112.49 124.93 69.02 28.66 2.31 39.42 24.80 5.54 0.40 1.95 0.00 26.44 1.45 31 F E E 74.90 14.51 16.38 30.67 121.67 -141.87 -106.80 134.85 19.99 79.61 0.40 16.74 2.77 0.54 0.10 0.30 0.00 78.74 0.80 32 M E E 54.72 12.90 18.03 31.49 125.59 -170.65 -122.04 142.19 4.89 95.07 0.05 4.19 0.47 0.05 0.01 0.03 0.00 95.05 0.20 33 D E E 80.94 8.38 20.33 29.06 113.41 -128.27 -90.73 124.13 2.49 97.48 0.02 2.08 0.25 0.03 0.00 0.01 0.00 97.56 0.05 34 V E E 24.58 18.09 14.86 33.08 124.28 -174.23 -121.43 136.39 4.11 95.88 0.02 3.74 0.21 0.02 0.00 0.01 0.00 95.84 0.17 35 K E E 120.07 5.09 21.17 27.21 116.88 -144.08 -99.02 128.23 14.19 85.78 0.03 12.86 0.88 0.07 0.01 0.02 0.00 84.58 1.58 36 C C C 16.18 19.67 10.47 29.72 114.11 -138.63 -85.40 130.05 91.55 8.41 0.04 89.39 2.08 0.16 0.01 0.03 0.00 7.87 0.48 37 P C T 90.01 4.40 16.66 22.13 109.09 -101.05 -60.73 135.02 96.98 1.10 1.93 1.63 9.05 85.95 0.05 2.31 0.00 0.84 0.17 38 G C T 60.13 1.56 16.14 17.40 95.51 15.28 85.34 -2.61 97.25 0.91 1.85 1.03 8.74 87.17 0.04 2.21 0.00 0.68 0.12 39 C C C 35.46 13.84 9.17 23.14 127.53 87.75 -121.05 153.79 79.49 18.08 2.42 48.30 23.32 8.39 0.31 2.79 0.00 12.06 4.83 40 F C S 152.65 2.82 15.54 19.29 96.92 -145.92 -84.67 -17.26 83.12 16.51 0.37 24.91 51.51 6.66 0.04 0.39 0.00 15.37 1.11 41 T C E 78.57 4.58 17.50 23.12 119.67 66.97 -103.53 135.25 60.94 38.75 0.31 29.56 28.11 4.14 0.04 0.30 0.00 36.93 0.92 42 I E E 57.29 15.93 13.25 29.03 118.77 -147.43 -106.34 128.70 31.25 68.71 0.04 29.08 1.14 0.10 0.01 0.03 0.00 69.31 0.32 43 T E E 51.20 9.97 19.68 30.31 119.26 -169.58 -112.37 133.63 5.37 94.61 0.02 4.75 0.35 0.04 0.00 0.01 0.00 94.74 0.10 44 T E E 43.86 13.65 19.62 33.47 124.39 -148.82 -117.40 136.96 0.86 99.13 0.01 0.78 0.03 0.00 0.00 0.00 0.00 99.15 0.03 45 V E E 24.89 16.23 18.99 35.83 121.65 -166.10 -117.74 132.12 1.16 98.83 0.01 1.02 0.05 0.01 0.00 0.00 0.00 98.88 0.03 46 F E E 54.98 13.19 19.35 33.28 119.28 -159.16 -110.16 128.87 6.83 93.07 0.10 5.65 0.66 0.15 0.02 0.05 0.00 93.26 0.22 47 S E E 33.67 12.91 16.53 29.97 124.31 -171.03 -118.25 153.06 43.03 54.89 2.09 23.50 11.95 8.56 0.25 1.72 0.00 53.36 0.65 48 H C T 118.95 6.53 18.75 25.41 99.03 -90.94 -74.08 1.19 80.30 15.85 3.85 25.43 24.72 30.61 0.46 3.43 0.00 14.18 1.17 49 A C T 47.24 10.38 16.01 26.73 115.11 59.59 -100.39 136.10 92.48 3.98 3.54 23.51 30.89 37.96 0.32 3.59 0.00 3.11 0.60 50 Q C S 89.05 9.40 18.58 28.31 106.68 -119.27 -88.48 91.92 76.36 21.92 1.72 22.34 27.50 26.72 0.14 1.65 0.00 20.80 0.84 51 T E E 37.76 14.38 18.40 33.03 122.27 73.76 -113.11 135.70 25.24 74.45 0.31 17.63 5.81 1.71 0.04 0.29 0.00 74.10 0.41 52 V E E 29.24 14.93 21.78 37.26 121.08 -151.03 -111.08 132.22 4.54 95.45 0.01 4.08 0.22 0.02 0.00 0.01 0.00 95.57 0.11 53 V E E 10.03 20.85 20.71 41.86 118.73 -158.56 -110.25 128.32 0.75 99.25 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.27 0.02 54 I E E 39.66 12.06 24.04 36.87 121.01 -162.49 -113.47 132.20 1.28 98.72 0.01 1.19 0.05 0.01 0.00 0.00 0.00 98.60 0.15 55 C E E 10.13 19.69 14.39 34.82 114.01 -127.15 -76.53 136.58 36.75 63.18 0.08 34.96 0.95 0.15 0.01 0.05 0.00 63.01 0.87 56 Q C T 97.49 8.68 18.68 27.77 106.23 -107.66 -64.33 125.98 96.37 2.67 0.96 2.00 16.29 78.11 0.04 1.00 0.00 2.30 0.26 57 G C T 56.84 2.20 18.58 20.77 97.31 21.43 83.73 -2.78 97.95 1.15 0.90 1.41 18.95 77.65 0.03 0.95 0.00 0.84 0.18 58 C C S 40.43 14.18 10.75 24.65 128.55 61.38 -123.94 154.79 91.41 7.19 1.40 27.31 43.13 20.97 0.13 1.64 0.00 5.03 1.78 59 T C S 109.63 2.31 17.91 20.78 95.85 -141.02 -86.86 -3.78 95.15 4.36 0.49 28.61 55.35 11.15 0.06 0.54 0.00 3.71 0.58 60 N C S 77.37 6.62 18.35 26.18 119.94 106.88 -88.16 144.56 75.66 24.02 0.31 32.98 39.08 3.71 0.04 0.32 0.00 22.56 1.31 61 V E E 53.68 14.42 17.58 32.21 110.65 -118.33 -79.46 125.34 8.35 91.61 0.04 7.94 0.42 0.06 0.01 0.03 0.00 90.18 1.36 62 L E E 20.86 18.27 19.81 38.36 99.18 -168.44 -90.46 -27.16 8.00 91.98 0.02 4.00 3.76 0.21 0.00 0.01 0.00 91.93 0.09 63 C E E 9.19 20.69 17.46 38.56 139.43 7.90 -149.37 151.65 0.72 99.27 0.00 0.59 0.08 0.01 0.00 0.00 0.00 99.28 0.03 64 Q E E 85.39 7.14 23.56 31.37 126.27 -162.49 -130.32 139.09 0.86 99.14 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.16 0.01 65 P E E 50.61 15.87 11.98 27.48 113.36 -112.32 -70.38 138.27 3.48 96.51 0.01 3.15 0.11 0.01 0.00 0.00 0.00 96.65 0.08 66 T E E 76.65 4.82 13.76 20.54 121.64 172.51 -135.82 123.82 13.81 85.96 0.23 10.32 3.10 0.85 0.05 0.21 0.00 83.44 2.02 67 G C T 67.85 0.56 14.20 12.95 94.24 -13.96 58.51 31.70 99.16 0.37 0.47 0.53 10.51 88.09 0.01 0.56 0.00 0.26 0.05 68 G C T 53.28 4.57 12.91 18.69 95.04 -48.01 82.08 2.44 99.39 0.16 0.45 0.68 11.42 87.24 0.01 0.52 0.00 0.11 0.02 69 K E E 116.65 3.42 17.66 22.34 127.82 94.96 -118.87 145.65 11.69 88.23 0.08 7.85 3.91 0.51 0.02 0.07 0.00 86.49 1.15 70 A E E 23.26 19.67 11.57 30.66 115.71 -120.48 -78.85 136.00 5.92 94.07 0.01 5.38 0.24 0.02 0.00 0.01 0.00 94.23 0.12 71 R E E 111.85 5.63 22.83 29.14 127.83 -170.97 -126.10 142.46 4.16 95.82 0.01 3.82 0.21 0.02 0.00 0.01 0.00 95.80 0.15 72 L E E 58.06 17.21 13.15 29.74 113.29 -117.64 -78.05 134.50 12.44 87.49 0.07 12.05 0.44 0.06 0.03 0.04 0.00 85.26 2.12 73 T C C 54.95 9.34 15.26 25.75 119.41 -144.11 -92.34 153.60 79.32 19.17 1.51 71.28 4.89 2.20 0.23 1.39 0.00 18.82 1.18 74 E C T 153.45 1.82 15.86 18.09 110.56 -80.91 -64.01 136.29 85.17 12.12 2.71 6.85 15.00 63.88 0.25 2.64 0.00 10.17 1.20 75 G C T 56.93 2.02 16.73 18.80 96.27 22.26 84.11 -2.51 91.01 6.71 2.28 12.02 15.89 63.05 0.19 2.36 0.00 5.92 0.57 76 C C C 30.90 18.30 9.59 26.89 114.73 130.93 -83.33 136.29 87.26 10.86 1.88 74.64 9.71 2.65 0.37 1.74 0.00 8.94 1.95 77 S C C 59.38 6.74 18.47 26.06 123.37 -164.06 -112.73 144.74 72.63 25.78 1.59 56.31 11.77 3.62 0.44 1.39 0.00 21.52 4.95 78 F C C 80.43 14.52 12.49 26.95 124.50 -164.07 -120.03 141.38 60.54 38.06 1.40 46.14 10.87 3.30 0.32 1.27 0.00 35.43 2.66 79 R E E 135.61 5.53 14.46 21.73 123.24 -163.33 -117.76 140.57 44.50 54.49 1.01 38.43 3.81 1.24 0.46 0.70 0.00 49.13 6.23 80 R C C 147.18 6.15 10.58 18.52 116.31 -136.17 -92.76 134.89 51.87 47.57 0.56 50.30 1.05 0.50 0.28 0.27 0.00 41.34 6.25 81 K C C 145.66 3.47 12.87 17.90 112.03 -124.22 -84.61 127.96 99.83 0.16 0.01 99.84 0.04 0.02 0.00 0.00 0.00 0.10 0.01