# 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 L C C 40.11 15.46 20.41 35.63 117.40 -165.11 -103.92 125.21 99.37 0.62 0.00 99.41 0.10 0.01 0.00 0.00 0.00 0.47 0.01 1 T E E 21.06 16.58 17.45 34.41 126.06 -169.24 -117.19 144.13 25.62 74.37 0.01 25.83 0.20 0.01 0.00 0.00 0.00 73.66 0.29 2 Y E E 83.36 10.45 21.24 32.23 122.03 -151.32 -111.71 135.51 1.77 98.23 0.00 1.60 0.09 0.01 0.00 0.00 0.00 98.16 0.14 3 F E E 36.73 15.73 14.71 31.34 119.35 -152.02 -107.53 133.19 2.18 97.81 0.01 2.01 0.15 0.01 0.01 0.00 0.00 96.60 1.22 4 S E E 24.88 8.20 16.21 26.92 111.71 -136.63 -89.34 121.93 43.22 56.75 0.03 42.69 0.68 0.07 0.00 0.02 0.00 55.77 0.77 5 A C T 54.01 10.89 12.57 24.48 93.68 -152.83 -68.70 -26.49 99.40 0.13 0.46 0.23 4.11 95.10 0.01 0.43 0.00 0.09 0.03 6 R C T 178.53 1.08 14.39 15.00 96.74 47.00 -76.20 -39.07 99.46 0.07 0.48 0.14 2.95 96.39 0.01 0.47 0.00 0.03 0.02 7 K C T 134.12 1.97 13.65 15.61 100.45 21.20 -101.06 -8.00 99.54 0.06 0.40 0.33 2.65 96.53 0.01 0.44 0.00 0.03 0.01 8 G C T 39.44 9.01 10.82 20.99 97.40 -127.29 72.75 9.27 98.51 1.16 0.33 31.47 8.98 58.07 0.06 0.25 0.00 1.02 0.15 9 K E E 115.90 2.72 18.56 21.73 127.93 113.80 -114.01 154.97 44.34 55.61 0.05 36.02 7.38 0.29 0.01 0.04 0.00 55.17 1.09 10 R E E 111.22 12.61 13.98 26.79 113.84 -105.14 -71.05 137.80 1.66 98.34 0.01 1.57 0.07 0.00 0.01 0.00 0.00 94.99 3.36 11 K E E 56.22 13.01 15.74 29.50 129.01 -159.96 -116.85 153.30 9.42 90.56 0.02 9.49 0.33 0.02 0.01 0.01 0.00 89.65 0.49 12 T E E 57.02 7.04 21.99 29.21 118.94 -108.64 -76.74 156.28 40.18 59.57 0.26 39.49 0.99 0.09 0.19 0.08 0.00 56.80 2.35 13 V H H 28.41 20.50 14.19 34.34 92.13 -114.98 -59.78 -37.05 7.35 0.11 92.55 3.86 1.35 2.09 91.80 0.81 0.00 0.06 0.03 14 K H H 123.92 4.23 21.69 26.78 91.28 57.46 -62.53 -39.97 1.84 0.02 98.14 0.69 0.24 0.82 97.67 0.56 0.00 0.01 0.00 15 A H H 36.73 6.31 21.28 28.62 91.45 51.04 -64.46 -40.52 0.63 0.02 99.35 0.25 0.08 0.28 98.80 0.56 0.00 0.01 0.00 16 V H H 5.17 23.43 17.17 40.78 91.90 50.11 -64.09 -43.19 0.41 0.01 99.58 0.12 0.05 0.19 99.47 0.17 0.00 0.01 0.00 17 I H H 31.30 17.31 19.88 36.81 91.59 50.60 -62.72 -42.74 0.46 0.01 99.53 0.10 0.04 0.24 99.54 0.08 0.00 0.00 0.00 18 D H H 81.09 3.25 24.35 26.95 91.65 50.19 -64.21 -41.36 0.69 0.00 99.30 0.11 0.04 0.42 99.32 0.10 0.00 0.00 0.00 19 R H H 60.47 12.48 20.85 33.61 92.10 50.22 -65.02 -41.80 0.82 0.00 99.18 0.08 0.05 0.59 98.96 0.32 0.00 0.00 0.00 20 F H H 8.48 23.61 15.96 39.62 92.02 50.18 -64.83 -41.75 1.23 0.01 98.76 0.12 0.08 0.93 97.99 0.88 0.00 0.00 0.00 21 L H H 76.58 9.83 19.43 29.58 92.13 51.01 -64.79 -39.20 5.72 0.01 94.27 0.32 0.27 5.07 92.79 1.54 0.01 0.01 0.01 22 R H H 136.31 4.15 20.03 24.77 91.58 53.02 -66.48 -32.64 15.65 0.03 84.32 0.58 0.85 14.31 82.90 1.30 0.03 0.01 0.02 23 L C H 35.44 15.65 14.60 30.63 95.20 50.88 -83.82 -9.76 55.87 1.04 43.09 9.49 14.52 31.90 40.54 2.38 0.11 0.34 0.70 24 H C T 125.86 6.35 19.86 27.06 96.08 -127.39 58.24 39.85 85.62 1.33 13.05 27.13 10.32 48.55 8.80 3.83 0.00 0.65 0.71 25 C C T 40.73 14.36 16.73 30.94 101.85 127.71 -97.33 5.12 85.90 2.24 11.85 32.90 17.34 36.47 4.34 6.71 0.01 1.07 1.16 26 G C S 25.83 12.61 20.30 32.46 101.17 -110.11 81.70 -0.91 87.07 1.97 10.95 28.83 30.08 28.55 2.12 8.58 0.00 1.10 0.75 27 L C S 47.75 16.11 21.61 36.52 100.72 90.44 -86.98 -19.53 84.41 6.89 8.70 22.33 43.64 18.94 2.01 6.20 0.01 5.90 0.97 28 W E E 36.73 20.17 20.95 40.29 119.29 59.49 -104.96 131.72 31.84 60.39 7.77 21.09 7.35 5.79 3.63 4.26 0.10 54.33 3.44 29 V E E 20.11 20.02 21.16 40.70 122.67 -165.21 -111.44 134.41 22.19 75.01 2.81 17.51 3.88 1.01 2.42 0.97 0.04 69.09 5.08 30 R E E 61.17 16.00 20.51 36.06 120.56 -143.97 -100.76 138.01 38.75 58.28 2.97 34.32 3.18 1.00 2.24 0.89 0.01 56.51 1.85 31 R C C 90.11 13.57 19.02 32.13 114.32 -135.81 -77.98 145.23 60.66 23.94 15.40 42.56 11.61 6.05 8.82 6.70 0.03 22.27 1.96 32 K C C 98.67 9.18 18.39 27.96 112.45 -99.28 -73.99 140.18 65.37 6.32 28.31 36.66 13.96 15.36 11.35 16.56 0.04 4.27 1.80 33 A C T 44.19 11.89 14.09 26.55 109.52 -110.24 -72.70 133.73 63.54 2.51 33.95 17.01 12.53 34.37 11.23 22.08 0.08 1.39 1.30 34 G C T 36.14 7.83 15.19 24.00 100.44 23.89 83.35 -1.75 68.70 1.51 29.79 21.53 13.05 34.84 9.11 19.75 0.03 0.68 1.00 35 Y C C 118.75 8.31 11.85 21.19 99.84 114.29 -78.45 -20.63 71.88 1.68 26.44 28.90 18.91 24.64 10.76 14.88 0.03 0.72 1.17 36 K C T 151.55 2.55 13.73 16.98 99.71 47.78 -79.18 5.96 72.60 1.18 26.22 26.52 19.03 27.48 11.37 14.22 0.02 0.49 0.86 37 K C C 112.64 5.93 11.84 19.34 112.28 108.78 -88.36 124.09 68.46 1.46 30.08 28.12 22.62 18.10 13.00 16.51 0.03 0.63 0.99 38 K C C 123.69 4.68 14.29 20.28 102.14 -119.75 -73.72 66.79 69.34 3.06 27.60 49.65 8.73 10.41 11.88 16.12 0.01 1.63 1.56 39 L C C 48.83 14.41 10.24 24.71 96.82 129.72 -79.28 -13.18 52.39 1.99 45.61 37.36 5.28 8.64 10.25 36.62 0.00 1.20 0.65 40 W C G 149.51 6.36 12.67 20.59 93.62 81.46 -67.80 -22.42 55.92 1.06 43.01 13.71 9.37 31.84 7.15 36.83 0.01 0.56 0.53 41 K C T 163.19 1.01 15.00 15.04 95.43 55.35 -89.27 -1.08 60.56 0.98 38.46 13.78 10.69 35.05 4.74 34.76 0.01 0.52 0.46 42 K C S 63.24 12.48 6.85 19.38 121.36 102.24 -82.92 150.16 98.42 0.87 0.71 38.89 59.02 0.54 0.38 0.19 0.00 0.20 0.77 43 T C C 76.92 2.09 14.53 16.67 117.15 -103.51 -68.33 153.65 99.77 0.14 0.09 98.38 1.38 0.05 0.06 0.01 0.00 0.03 0.09 44 P H H 97.23 2.99 11.41 16.15 91.90 -107.51 -57.10 -39.18 2.32 0.00 97.68 0.39 0.27 1.41 96.92 1.01 0.00 0.00 0.00 45 A H H 69.64 1.62 14.26 15.69 91.81 52.80 -63.62 -39.68 1.54 0.00 98.46 0.17 0.12 1.09 97.28 1.34 0.00 0.00 0.00 46 R H H 91.91 7.46 13.39 22.30 92.44 49.07 -66.68 -38.94 0.71 0.00 99.28 0.15 0.06 0.43 97.92 1.43 0.00 0.00 0.00 47 K H H 70.24 11.44 13.28 25.53 91.82 52.64 -63.28 -41.54 0.38 0.00 99.62 0.10 0.03 0.20 99.28 0.38 0.00 0.00 0.00 48 K H H 116.16 2.17 18.83 20.36 91.69 50.08 -64.26 -40.98 0.71 0.00 99.28 0.09 0.05 0.49 98.80 0.56 0.00 0.00 0.00 49 R H H 110.37 4.73 18.50 23.86 92.08 49.79 -64.86 -40.79 1.30 0.00 98.70 0.11 0.08 0.98 97.90 0.92 0.01 0.00 0.00 50 L H H 24.02 17.82 13.72 31.72 92.23 51.11 -65.48 -38.41 3.41 0.04 96.55 0.49 0.33 2.41 94.06 2.63 0.04 0.02 0.02 51 R H H 115.86 9.90 18.49 28.69 91.70 56.07 -66.40 -29.40 15.70 0.22 84.08 1.10 0.99 13.01 78.29 6.37 0.04 0.11 0.08 52 E H H 110.52 4.23 21.02 25.34 95.34 53.78 -78.35 -24.71 43.93 0.41 55.66 2.26 3.08 37.33 51.19 5.65 0.06 0.23 0.20 53 F C T 68.83 13.28 18.52 31.75 105.08 40.71 -104.67 6.22 57.46 9.01 33.53 14.71 8.08 33.37 27.39 6.83 0.39 7.44 1.77 54 V E E 23.00 19.79 17.63 37.19 116.66 117.24 -93.85 127.80 33.03 66.25 0.71 28.96 3.08 0.50 0.65 0.25 0.00 60.71 5.83 55 F E E 61.11 13.70 24.24 37.43 119.02 -170.66 -104.11 131.77 26.30 73.43 0.26 24.11 1.72 0.23 0.22 0.10 0.00 65.72 7.91 56 C E C 11.44 22.86 15.70 38.31 126.35 -148.34 -118.25 150.35 49.19 50.71 0.10 47.44 2.14 0.09 0.07 0.04 0.00 45.34 4.87 57 N C C 56.66 7.99 22.04 30.33 124.44 -128.10 -84.95 168.59 87.90 11.98 0.12 87.82 1.05 0.05 0.09 0.02 0.00 10.07 0.90 58 K H H 125.75 6.28 17.79 25.45 91.20 -97.94 -58.91 -37.36 2.31 0.00 97.69 0.25 0.25 1.61 97.02 0.87 0.00 0.00 0.00 59 T H H 74.56 3.58 21.65 24.89 91.83 51.76 -64.80 -41.50 1.39 0.00 98.61 0.14 0.10 1.05 97.78 0.93 0.00 0.00 0.00 60 Q H H 32.13 17.37 18.17 35.18 92.18 48.19 -66.02 -40.51 0.47 0.00 99.53 0.07 0.04 0.31 98.84 0.74 0.00 0.00 0.00 61 S H H 12.31 19.15 16.48 35.79 91.81 52.32 -62.93 -42.08 0.31 0.00 99.69 0.05 0.02 0.18 99.49 0.26 0.00 0.00 0.00 62 K H H 114.05 3.18 23.69 26.36 91.62 50.69 -63.91 -41.10 0.41 0.00 99.58 0.03 0.02 0.31 99.41 0.23 0.00 0.00 0.00 63 L H H 50.88 9.80 21.30 31.86 91.89 49.85 -64.75 -42.58 0.58 0.00 99.42 0.04 0.02 0.46 99.19 0.28 0.00 0.00 0.00 64 L H H 7.62 24.00 16.46 40.64 91.60 50.51 -63.88 -41.80 0.98 0.00 99.01 0.12 0.06 0.69 97.86 1.26 0.00 0.00 0.00 65 D H H 64.76 11.84 20.19 31.85 91.42 53.18 -63.76 -36.70 4.24 0.00 95.75 0.28 0.18 3.52 92.89 3.11 0.00 0.00 0.00 66 K H H 125.07 3.41 22.37 25.90 91.83 54.64 -70.38 -25.47 13.48 0.02 86.50 0.50 0.56 12.42 83.53 2.96 0.01 0.01 0.01 67 M H H 39.12 16.54 16.36 32.93 95.76 52.56 -85.88 -10.34 31.86 0.34 67.80 4.34 4.18 23.52 64.98 2.54 0.08 0.12 0.23 68 T C C 33.20 18.16 13.89 31.56 112.07 90.48 -86.41 126.11 74.48 10.01 15.51 44.46 21.36 7.49 14.64 1.64 0.03 2.19 8.19 69 T C C 47.88 8.21 15.66 25.23 127.73 -165.83 -107.67 166.08 88.02 5.08 6.89 64.18 18.54 4.26 5.38 1.85 0.00 1.83 3.94 70 S C T 82.54 2.75 16.32 19.89 92.13 -99.11 -64.25 -28.89 65.45 0.66 33.89 4.75 14.21 46.73 16.09 17.15 0.12 0.30 0.64 71 F C T 99.28 7.88 14.92 23.84 94.05 59.76 -72.17 -28.41 64.45 0.49 35.06 3.61 9.54 50.61 16.54 18.88 0.09 0.24 0.48 72 W C T 53.88 17.02 11.35 27.93 99.89 53.53 -91.81 -9.69 61.09 3.36 35.56 12.30 11.83 36.14 15.89 19.73 0.34 1.69 2.09 73 K C C 111.72 7.69 15.36 23.90 101.82 81.67 -87.40 14.20 67.88 8.28 23.84 31.50 14.64 22.84 12.66 9.82 0.34 4.02 4.18 74 R C C 111.65 7.72 12.92 21.98 117.36 136.27 -92.19 140.23 82.57 10.33 7.10 52.72 24.29 4.92 3.73 3.37 0.02 4.18 6.78 75 R C C 144.30 5.87 13.88 21.28 102.72 -118.68 -72.07 11.14 78.58 4.93 16.49 40.15 12.97 25.92 3.04 13.16 0.01 2.90 1.85 76 N C C 95.41 5.93 14.83 21.78 107.82 49.34 -103.53 72.34 83.03 3.53 13.43 37.35 17.70 27.84 1.73 12.08 0.00 1.85 1.45 77 W C C 89.79 12.54 11.88 24.95 114.66 129.52 -93.86 127.66 82.46 7.47 10.07 60.51 13.27 7.39 2.09 8.84 0.01 3.60 4.29 78 Y C C 87.47 9.20 13.84 24.36 118.62 -152.00 -101.31 138.26 79.60 14.57 5.83 62.45 9.91 5.59 1.75 3.99 0.01 5.39 10.92 79 V C T 84.70 8.26 13.16 22.44 95.01 -130.08 -67.31 -28.89 96.02 1.07 2.91 4.95 9.72 81.32 0.42 2.43 0.00 0.58 0.59 80 D C T 109.21 2.47 15.26 18.26 98.14 45.47 -94.13 8.41 97.03 0.27 2.70 5.80 10.94 80.23 0.32 2.42 0.00 0.15 0.14 81 D C C 35.05 12.65 9.59 23.39 110.42 122.39 -85.90 114.55 98.65 0.73 0.62 84.30 13.65 0.64 0.19 0.37 0.00 0.22 0.63 82 P C T 77.44 5.49 14.94 22.39 92.28 -157.60 -66.01 -19.97 92.41 0.44 7.14 9.60 8.88 73.99 1.60 5.42 0.00 0.23 0.27 83 Y C T 77.96 12.22 11.45 24.39 97.34 58.17 -90.68 -0.75 86.78 0.54 12.68 11.65 7.10 68.24 3.97 8.40 0.00 0.26 0.39 84 Q H G 92.24 9.13 12.17 22.45 92.93 103.14 -61.13 -34.68 24.32 0.43 75.25 7.72 4.12 11.79 8.36 67.62 0.00 0.25 0.15 85 K H G 152.68 1.72 16.15 17.78 93.91 58.54 -71.79 -17.28 22.91 0.67 76.42 5.77 3.39 13.32 8.79 68.10 0.00 0.48 0.16 86 Y H G 100.79 9.49 13.54 23.96 99.06 53.53 -93.40 -6.15 26.16 1.45 72.40 9.64 5.17 12.03 8.42 63.39 0.00 0.99 0.36 87 H C C 51.25 16.78 10.71 26.85 115.37 79.27 -102.31 123.12 77.01 5.06 17.93 52.12 18.01 6.71 7.37 10.44 0.01 2.26 3.08 88 D C C 83.94 5.03 17.61 23.60 112.93 -154.90 -101.94 117.41 87.12 7.29 5.60 72.62 9.49 4.22 3.03 2.48 0.00 3.26 4.90 89 R C C 99.41 13.65 10.83 24.28 99.86 -170.93 -91.25 7.47 82.80 5.76 11.44 62.87 9.74 9.73 3.49 8.07 0.00 3.23 2.86 90 T C T 90.82 3.82 13.69 19.05 101.10 105.92 -80.54 -8.77 84.58 2.73 12.69 32.37 19.75 33.00 2.19 10.15 0.00 1.51 1.02 91 N C C 110.36 3.28 14.03 18.26 97.71 49.82 -87.48 16.93 85.20 3.08 11.72 32.88 20.15 32.59 1.58 10.07 0.00 1.77 0.96 92 L C C 55.20 14.95 7.65 21.74 113.28 115.88 -86.84 124.42 87.36 7.33 5.31 68.92 12.56 5.58 1.32 4.34 0.00 4.91 2.37 93 K C C 146.86 2.54 14.65 18.39 112.45 -152.15 -92.30 125.56 88.90 9.58 1.52 86.05 1.62 1.68 0.66 0.58 0.00 5.98 3.44 94 V C C 80.71 10.42 11.98 22.94 112.64 -143.51 -90.66 125.09 99.79 0.20 0.01 99.78 0.07 0.02 0.00 0.00 0.00 0.11 0.01