# 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 121.48 5.04 11.36 18.12 115.43 -164.14 -97.75 133.57 99.85 0.13 0.02 99.76 0.10 0.05 0.01 0.00 0.00 0.06 0.02 1 G C C 50.92 3.50 9.63 14.94 117.55 -146.09 -94.96 161.43 90.84 3.79 5.37 86.57 1.34 3.78 3.02 1.50 0.00 2.14 1.64 2 R C C 175.35 2.14 9.03 12.80 110.19 -122.16 -89.58 117.66 76.73 7.78 15.49 51.94 14.57 10.03 7.55 8.16 0.01 4.83 2.90 3 S C C 77.35 3.54 9.12 14.42 114.30 -140.73 -93.98 136.47 69.35 9.39 21.26 50.05 10.56 8.59 8.23 13.34 0.01 6.44 2.78 4 L C C 110.07 5.53 9.46 16.43 107.42 -142.49 -86.12 72.21 63.18 9.65 27.17 37.43 14.37 12.51 9.06 17.50 0.05 6.39 2.68 5 K C C 138.07 3.74 11.47 16.95 111.36 123.06 -90.15 123.61 67.67 10.14 22.19 39.96 14.30 14.17 7.88 13.96 0.06 6.57 3.11 6 K C C 141.51 3.84 12.23 17.81 112.20 -151.24 -91.83 127.67 78.07 9.04 12.89 45.05 22.42 11.10 5.72 6.79 0.04 4.79 4.10 7 G C C 32.62 8.04 12.07 21.34 129.85 -123.89 -153.71 176.23 94.13 4.68 1.20 57.80 31.57 4.96 0.28 0.99 0.00 2.75 1.64 8 P C C 87.83 5.78 15.12 21.79 105.20 -53.49 -70.42 96.16 94.11 4.56 1.33 37.47 35.74 21.28 0.18 1.27 0.00 3.19 0.86 9 F C C 105.93 9.52 14.70 24.76 111.33 54.39 -94.80 118.49 70.81 27.36 1.83 43.03 15.97 12.75 0.61 1.48 0.01 19.05 7.10 10 V C C 51.64 14.36 12.72 27.25 119.81 -150.97 -105.84 133.60 74.20 25.28 0.52 66.08 6.80 0.50 0.34 0.23 0.00 15.62 10.44 11 D C C 58.91 9.10 15.03 25.46 109.98 -125.40 -80.85 121.04 97.38 2.12 0.50 96.44 1.27 0.21 0.34 0.07 0.00 1.22 0.45 12 D H H 99.93 4.10 15.16 20.89 93.59 -151.97 -64.10 -32.62 6.06 0.02 93.92 1.20 0.68 3.97 92.89 1.24 0.00 0.01 0.01 13 H H H 111.92 2.66 17.64 20.19 92.11 56.36 -64.97 -39.95 3.14 0.01 96.85 0.38 0.23 2.39 95.53 1.46 0.00 0.01 0.00 14 L H H 28.96 13.62 14.50 29.22 92.39 49.77 -65.39 -41.56 0.98 0.01 99.01 0.20 0.09 0.62 97.67 1.41 0.00 0.01 0.00 15 M H H 47.93 12.74 15.22 28.77 91.82 51.48 -63.52 -41.75 0.45 0.01 99.54 0.11 0.04 0.24 99.30 0.30 0.00 0.00 0.00 16 K H H 121.12 1.94 20.55 21.32 91.90 50.78 -64.17 -41.69 0.42 0.01 99.57 0.09 0.04 0.25 99.51 0.12 0.00 0.00 0.00 17 K H H 99.73 4.34 19.32 23.86 92.06 49.73 -65.02 -41.44 0.49 0.01 99.50 0.10 0.04 0.30 99.44 0.12 0.00 0.01 0.00 18 V H H 21.10 14.63 14.02 29.86 92.14 49.61 -64.87 -42.61 0.54 0.01 99.46 0.11 0.04 0.32 99.39 0.13 0.00 0.01 0.00 19 E H H 88.94 6.12 16.49 23.80 91.89 50.67 -64.05 -40.74 1.01 0.01 98.98 0.20 0.07 0.62 98.89 0.21 0.00 0.00 0.00 20 A H H 70.60 1.73 16.57 17.63 92.60 50.80 -66.07 -38.93 3.35 0.01 96.64 0.38 0.21 2.54 96.41 0.45 0.00 0.00 0.00 21 Q H H 94.83 5.67 13.63 20.42 94.12 49.98 -70.92 -32.06 9.03 0.05 90.92 0.70 0.68 7.32 90.62 0.61 0.02 0.02 0.02 22 Q H H 94.29 7.27 12.02 20.35 97.82 49.29 -84.52 -8.15 41.85 0.39 57.76 4.79 5.23 31.08 57.22 1.25 0.07 0.13 0.25 23 G C T 52.39 2.64 13.28 16.83 100.38 -115.36 64.99 7.03 80.35 0.64 19.01 25.34 8.45 46.46 16.08 3.01 0.00 0.27 0.38 24 A C C 66.60 5.00 9.59 16.13 106.30 102.35 -85.75 49.16 77.10 1.32 21.58 36.22 16.84 24.95 10.61 9.95 0.01 0.56 0.86 25 E C C 150.37 1.66 11.96 14.38 102.41 75.70 -82.50 8.30 80.11 1.09 18.80 32.53 20.77 27.44 6.73 11.36 0.01 0.49 0.66 26 K C C 127.26 4.20 11.66 17.46 111.92 95.29 -92.46 127.53 83.24 1.47 15.30 43.26 21.45 18.68 4.46 10.66 0.00 0.71 0.78 27 K C C 120.19 7.52 12.09 20.92 113.45 -139.12 -87.21 125.64 88.73 3.28 7.99 61.99 16.58 10.15 2.18 5.97 0.00 2.30 0.84 28 K C C 107.09 7.28 16.15 24.52 119.33 -157.24 -103.53 138.96 80.12 16.44 3.43 58.12 17.22 4.44 0.88 2.46 0.00 15.48 1.39 29 V E E 62.20 11.88 15.87 28.45 117.31 -138.99 -96.76 131.19 48.72 50.79 0.50 43.27 4.27 0.56 0.16 0.28 0.00 50.27 1.19 30 I E E 35.71 17.16 15.17 32.72 118.51 -156.87 -105.34 130.77 15.48 84.38 0.13 14.66 0.83 0.11 0.08 0.06 0.00 82.91 1.36 31 K E E 108.31 7.71 21.75 30.19 117.01 -145.83 -95.16 130.60 11.99 87.91 0.09 11.31 0.64 0.09 0.04 0.04 0.00 86.96 0.91 32 T E E 29.13 19.10 14.00 32.63 126.71 -170.10 -121.55 144.13 34.43 65.36 0.20 31.71 1.90 0.29 0.07 0.13 0.00 64.62 1.30 33 W C C 128.06 7.76 20.29 28.68 103.11 -161.76 -98.45 -7.63 68.20 31.29 0.51 40.56 25.94 2.47 0.11 0.44 0.00 28.95 1.53 34 S C C 33.10 12.83 16.15 29.65 123.68 50.22 -117.14 140.60 84.09 14.71 1.20 61.10 18.32 4.47 0.22 1.19 0.00 12.95 1.76 35 R C S 126.35 10.17 16.90 27.49 103.65 -167.36 -88.96 -10.82 87.63 7.99 4.38 19.93 35.90 32.38 0.43 4.10 0.00 6.00 1.26 36 R C S 149.30 4.15 20.58 25.21 100.75 55.76 -93.79 16.57 88.30 7.30 4.40 17.22 39.32 32.10 0.32 4.29 0.00 5.73 1.01 37 S C C 23.12 17.83 13.75 31.42 123.60 107.90 -100.02 151.78 78.96 16.92 4.12 59.51 15.30 3.75 0.44 3.94 0.00 15.93 1.13 38 T E E 62.38 8.24 23.71 32.55 120.81 -138.45 -109.44 136.80 30.25 69.39 0.36 25.50 3.87 0.50 0.16 0.27 0.00 63.15 6.56 39 I E E 25.86 21.85 15.19 37.13 117.12 -147.83 -99.96 127.73 21.43 78.52 0.05 20.15 0.95 0.04 0.04 0.02 0.00 60.01 18.78 40 F C C 60.75 10.71 19.09 30.90 113.49 -132.53 -80.88 133.44 98.59 1.40 0.01 98.65 0.31 0.01 0.00 0.00 0.00 0.95 0.08 41 P H G 72.53 9.53 16.40 27.07 91.36 -124.04 -58.59 -30.25 11.02 0.12 88.86 0.73 0.79 7.83 0.82 89.73 0.00 0.09 0.00 42 S H G 72.44 4.57 20.36 25.95 89.44 64.91 -67.79 -16.12 9.98 0.07 89.94 0.23 0.48 8.41 0.64 90.18 0.00 0.06 0.00 43 F H G 15.18 21.62 13.92 36.16 94.48 57.27 -94.83 -6.97 9.93 0.12 89.95 0.87 0.87 6.34 0.69 91.13 0.00 0.08 0.01 44 V C T 52.78 14.50 15.51 30.62 112.81 116.41 -61.72 132.21 97.63 1.13 1.24 0.55 1.26 96.56 0.15 0.54 0.00 0.39 0.54 45 G C T 44.17 4.03 21.78 26.61 94.24 23.03 86.31 -4.39 99.52 0.25 0.23 0.25 1.65 97.76 0.01 0.14 0.00 0.18 0.01 46 F C C 45.92 16.05 16.28 32.71 122.58 123.69 -86.53 150.43 94.21 5.75 0.04 87.18 6.47 0.15 0.00 0.03 0.00 6.00 0.16 47 T E E 43.17 11.02 24.12 35.82 118.30 -133.49 -105.66 130.94 1.67 98.33 0.00 1.69 0.05 0.00 0.00 0.00 0.00 98.05 0.21 48 I E E 5.30 24.64 18.27 43.47 124.66 -170.14 -120.68 137.89 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 A E E 16.40 13.04 25.31 39.39 118.12 -145.16 -101.06 132.45 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 50 V E E 7.45 21.89 19.23 41.54 121.55 -164.33 -116.34 131.64 0.36 99.64 0.00 0.31 0.02 0.00 0.00 0.00 0.00 99.66 0.01 51 Y E E 47.58 12.60 18.88 32.82 116.39 -154.51 -106.11 123.81 5.97 93.99 0.04 4.81 0.73 0.12 0.01 0.02 0.00 94.15 0.17 52 D E E 56.28 9.59 16.78 27.81 103.17 176.26 -109.71 32.88 40.58 58.54 0.89 22.71 10.82 7.62 0.09 0.91 0.00 57.15 0.68 53 G C T 43.88 6.17 14.95 22.04 98.76 -80.13 77.71 -11.99 98.66 0.45 0.89 1.86 29.57 67.13 0.02 1.02 0.00 0.30 0.09 54 R C T 178.13 1.37 15.21 16.39 104.05 39.23 -99.77 -21.49 98.66 0.65 0.69 2.04 37.02 59.63 0.02 0.73 0.00 0.44 0.11 55 K E E 135.42 1.92 16.78 18.83 126.26 35.03 -124.61 147.15 28.89 71.01 0.09 19.44 9.26 0.71 0.02 0.09 0.00 69.82 0.67 56 H E E 89.76 14.26 11.23 25.19 118.81 -129.74 -97.56 133.95 8.84 91.15 0.01 8.11 0.36 0.02 0.00 0.00 0.00 91.30 0.21 57 V E E 49.41 9.37 18.06 29.08 120.45 -167.93 -122.33 125.69 2.15 97.85 0.00 1.92 0.06 0.00 0.00 0.00 0.00 98.00 0.02 58 P E E 72.57 8.69 19.78 29.05 114.89 -120.79 -69.47 140.80 1.53 98.47 0.00 1.43 0.02 0.00 0.00 0.00 0.00 98.54 0.01 59 V E E 16.34 20.64 15.22 35.82 127.30 -172.30 -127.28 141.60 0.58 99.42 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.42 0.01 60 Y E E 105.95 7.24 25.06 32.75 117.51 -138.13 -100.85 131.40 0.90 99.10 0.00 0.87 0.01 0.00 0.00 0.00 0.00 99.06 0.06 61 I E E 9.94 24.34 12.39 37.15 115.05 -144.33 -95.34 127.42 19.27 80.72 0.01 19.62 0.17 0.01 0.00 0.00 0.00 79.70 0.49 62 Q C C 71.99 5.47 22.35 27.80 131.32 -175.43 -119.12 167.00 92.30 7.61 0.09 91.56 1.31 0.07 0.02 0.05 0.00 6.63 0.36 63 E H G 120.73 7.88 14.64 23.82 91.35 -101.40 -59.50 -33.64 11.23 0.10 88.67 0.53 0.98 8.68 1.91 87.82 0.00 0.07 0.01 64 D H G 116.58 1.41 18.96 19.75 90.36 61.12 -69.87 -17.35 10.64 0.06 89.30 0.34 0.65 8.72 1.67 88.57 0.00 0.05 0.00 65 M H G 27.52 18.07 12.49 30.79 95.48 53.14 -95.94 -5.19 11.58 0.20 88.22 1.40 1.38 7.66 2.11 87.29 0.00 0.14 0.02 66 V C T 54.16 15.09 13.11 28.53 112.33 115.24 -62.83 133.51 91.51 4.31 4.19 4.52 4.54 83.08 1.88 1.87 0.02 2.22 1.88 67 G C T 47.35 4.28 20.28 25.45 94.69 22.11 84.61 -4.14 95.81 0.84 3.35 3.11 6.10 86.73 1.44 1.81 0.00 0.58 0.23 68 H C C 69.73 12.00 15.90 28.48 122.82 124.46 -87.51 152.72 88.93 3.68 7.39 72.91 12.01 3.61 4.27 3.06 0.00 1.68 2.47 69 K C C 98.70 7.98 21.52 29.70 115.92 -110.70 -79.86 144.09 52.92 26.84 20.24 30.18 11.27 9.67 10.32 8.52 0.25 7.93 21.86 70 L H G 38.04 20.16 14.58 33.88 102.44 -102.50 -64.83 87.18 39.87 4.68 55.45 8.87 8.82 23.03 13.93 40.15 0.33 2.84 2.03 71 G H G 30.55 11.75 18.44 29.95 96.49 37.40 71.71 -11.17 32.57 2.23 65.21 8.13 6.03 18.91 13.69 50.94 0.08 1.27 0.94 72 E H G 106.18 6.32 19.44 26.51 93.52 82.42 -75.77 -19.21 37.17 2.58 60.25 9.33 8.18 20.15 12.88 46.75 0.09 1.63 0.99 73 F C T 85.76 12.15 15.66 27.96 100.07 44.31 -97.55 -4.56 56.01 6.64 37.35 15.85 16.78 24.85 11.32 23.84 0.43 3.21 3.71 74 A C S 32.89 14.30 12.83 27.47 121.56 81.45 -105.41 141.59 92.01 5.19 2.80 41.29 48.45 2.69 1.52 1.15 0.00 2.59 2.31 75 P C C 75.95 6.76 15.45 23.35 109.67 -106.63 -66.83 146.45 89.16 4.12 6.72 67.71 12.70 8.52 2.52 4.32 0.00 2.51 1.70 76 T C C 83.63 7.81 12.53 21.48 109.25 -132.63 -91.66 106.24 83.37 7.98 8.65 59.65 14.06 9.08 3.30 5.53 0.00 4.52 3.85 77 R C C 140.76 5.82 12.65 20.00 115.21 -158.36 -100.62 129.64 79.73 11.10 9.18 54.44 18.02 6.85 4.68 4.74 0.01 6.89 4.36 78 T C C 87.93 4.98 12.29 18.98 116.69 -158.16 -103.53 131.41 79.37 11.82 8.81 58.26 14.73 5.88 5.03 4.06 0.01 8.41 3.62 79 Y C C 126.24 7.79 9.76 18.84 114.16 -150.60 -95.53 127.41 75.94 11.94 12.13 57.65 11.45 5.89 8.66 3.87 0.01 7.70 4.78 80 R C C 165.59 2.68 12.05 16.23 108.99 -158.00 -90.24 112.08 71.58 6.25 22.17 36.09 14.81 21.38 15.34 6.41 0.04 3.75 2.18 81 G C C 47.34 3.84 12.96 17.96 108.44 16.49 86.86 -32.39 69.95 3.12 26.94 26.02 19.46 25.47 18.04 7.95 0.06 1.63 1.36 82 H C C 99.96 6.79 10.79 18.94 106.84 59.63 -89.91 64.53 59.98 3.60 36.43 34.50 14.19 12.20 26.91 8.69 0.04 1.76 1.71 83 V C H 76.22 5.75 12.39 19.46 101.86 86.86 -73.58 -35.57 49.42 2.41 48.17 28.43 11.06 11.32 38.13 8.78 0.04 1.23 1.02 84 A H H 62.30 3.97 12.80 18.10 94.86 50.31 -66.45 -36.00 41.69 1.41 56.90 22.02 10.00 11.20 45.47 9.96 0.04 0.73 0.58 85 D H H 86.79 3.68 12.63 17.50 96.13 54.60 -74.32 -25.60 39.06 1.23 59.71 21.02 8.55 11.02 48.59 9.64 0.04 0.64 0.50 86 D H H 78.22 5.56 10.87 17.92 97.12 61.30 -75.83 -19.05 40.74 1.24 58.03 23.61 7.89 10.73 48.31 8.28 0.03 0.63 0.52 87 K H H 124.82 3.80 10.83 16.11 97.91 69.24 -74.62 -23.75 42.05 1.63 56.32 24.25 8.83 11.00 47.42 6.97 0.03 0.82 0.68 88 K H H 141.03 2.29 10.35 13.88 99.41 68.28 -77.41 -15.05 48.09 2.08 49.82 26.39 10.55 12.86 41.61 6.64 0.04 1.05 0.85 89 T C C 91.22 3.39 8.34 13.33 104.94 73.90 -86.60 36.48 59.24 2.70 38.07 32.87 11.77 15.45 31.51 5.87 0.03 1.35 1.16 90 K C C 151.94 2.00 8.12 11.73 107.13 69.11 -86.05 72.14 78.16 2.01 19.84 61.94 2.54 13.51 16.91 2.98 0.00 1.06 1.05 91 R C C 166.05 2.60 9.92 14.24 109.47 76.18 -88.19 113.23 99.87 0.08 0.06 99.67 0.13 0.11 0.03 0.00 0.00 0.04 0.01