# 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 97.60 9.00 10.13 20.07 115.81 -151.94 -87.05 138.03 99.86 0.10 0.03 99.80 0.09 0.04 0.02 0.00 0.00 0.04 0.02 1 K C C 132.17 3.26 10.41 15.34 113.65 -126.93 -85.80 136.20 92.09 2.61 5.31 90.63 0.80 2.16 2.29 1.59 0.00 0.96 1.57 2 Q C T 139.00 2.43 9.66 13.81 103.96 -119.86 -67.16 111.60 76.00 2.63 21.37 19.40 13.12 43.93 3.70 17.05 0.01 1.40 1.39 3 D C T 120.00 1.62 12.06 14.49 96.86 23.44 2.72 0.37 78.56 1.40 20.04 14.11 14.45 49.95 2.69 17.32 0.00 0.79 0.69 4 I C C 83.67 7.43 10.56 19.34 100.97 89.11 -86.98 -13.99 72.87 6.62 20.50 28.32 24.09 21.90 3.80 15.17 0.06 2.97 3.70 5 H C C 76.31 10.45 9.95 21.35 115.60 59.85 -105.69 121.47 93.00 5.11 1.89 57.44 32.45 3.08 0.52 1.45 0.00 2.43 2.63 6 P C T 75.52 6.03 13.56 21.15 105.85 -128.98 -68.81 145.22 93.88 2.26 3.86 35.23 12.35 45.71 0.31 4.36 0.00 1.57 0.48 7 N C T 113.16 3.24 16.51 20.54 103.59 -63.55 -84.29 53.29 88.60 7.47 3.93 28.90 14.60 44.77 0.24 4.50 0.00 6.28 0.71 8 Y C C 76.26 15.11 10.42 25.19 123.40 132.39 -102.65 143.37 59.42 39.68 0.90 50.75 7.06 1.31 0.22 0.79 0.00 31.94 7.93 9 Q C E 86.74 6.77 17.99 25.83 123.31 -160.91 -115.93 137.70 51.43 48.50 0.06 44.40 6.03 0.29 0.01 0.06 0.00 47.84 1.37 10 P E E 68.82 8.86 18.26 27.70 114.14 -106.17 -66.76 143.90 41.06 58.93 0.02 35.73 3.38 0.11 0.00 0.02 0.00 60.47 0.29 11 V E E 23.68 16.75 14.94 32.38 126.69 -167.58 -125.34 143.60 5.53 94.47 0.00 5.22 0.15 0.00 0.00 0.00 0.00 94.52 0.10 12 V E E 45.49 10.03 20.54 31.96 117.11 -140.50 -105.54 127.65 0.63 99.37 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.39 0.01 13 F E E 37.71 15.81 17.44 33.94 123.08 -167.71 -116.89 137.63 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 14 M E E 65.98 9.14 18.64 29.20 119.50 -155.77 -112.96 128.62 0.63 99.37 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.33 0.05 15 D E E 30.28 11.87 12.66 26.61 108.61 -139.24 -86.66 116.60 32.96 67.00 0.04 31.30 0.84 0.11 0.01 0.03 0.00 67.17 0.55 16 S C T 70.61 5.30 13.83 21.05 93.39 -159.18 -69.99 -24.41 99.25 0.13 0.61 0.30 4.37 94.63 0.01 0.58 0.00 0.08 0.02 17 T C T 105.94 1.56 14.47 15.70 98.05 49.29 -78.72 -37.55 99.33 0.05 0.62 0.13 3.17 96.11 0.01 0.55 0.00 0.02 0.01 18 T C T 76.40 3.92 13.06 18.08 101.45 21.86 -105.11 -14.94 99.40 0.12 0.47 0.58 4.02 94.80 0.01 0.49 0.00 0.07 0.02 19 G C C 44.21 4.45 13.30 19.51 95.26 -123.38 78.78 7.48 98.30 1.53 0.17 79.75 5.52 13.00 0.03 0.15 0.00 1.22 0.33 20 F C C 87.31 7.32 13.42 22.80 117.20 147.20 -76.56 141.94 83.92 16.05 0.03 83.14 0.95 0.09 0.00 0.02 0.00 15.43 0.37 21 K E E 108.21 9.51 15.33 26.40 126.79 -163.33 -123.77 140.53 0.79 99.21 0.00 0.75 0.04 0.00 0.00 0.00 0.00 99.14 0.06 22 F E E 70.78 11.97 17.07 29.94 129.50 -173.39 -130.35 142.57 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 23 L E E 78.89 10.37 18.07 29.10 116.57 -127.49 -91.01 130.17 0.49 99.51 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 24 S E E 36.24 13.57 16.44 30.19 126.93 -169.84 -119.84 153.21 10.00 89.98 0.02 7.99 1.30 0.10 0.00 0.01 0.00 90.50 0.09 25 G E E 28.98 7.94 21.26 29.84 128.73 -14.18 118.99 176.10 18.85 81.10 0.05 13.03 5.47 0.42 0.01 0.05 0.00 80.68 0.34 26 S E E 35.21 15.63 14.84 30.03 129.44 -115.91 -116.74 157.38 27.26 72.61 0.13 23.83 2.68 0.32 0.03 0.11 0.00 70.77 2.26 27 T C C 57.71 9.98 16.63 27.59 118.37 -131.80 -98.60 138.95 62.06 37.44 0.49 43.38 17.04 2.25 0.13 0.49 0.00 32.25 4.45 28 K C S 129.65 5.67 15.72 22.78 112.96 -115.08 -86.19 135.07 81.10 17.40 1.50 26.45 34.88 20.90 0.20 1.45 0.00 14.01 2.11 29 G C C 51.39 4.27 14.97 20.17 103.47 19.65 63.69 2.39 92.14 6.85 1.00 42.12 28.97 21.44 0.11 1.13 0.00 5.11 1.11 30 S C C 47.68 10.08 10.38 21.44 119.70 108.24 -102.20 150.36 89.74 8.50 1.76 57.31 23.39 9.02 0.27 1.85 0.00 5.97 2.19 31 S C C 89.32 2.48 15.05 18.50 101.63 -140.18 -94.30 12.02 88.73 10.08 1.18 54.15 27.78 7.00 0.15 1.27 0.00 8.47 1.20 32 E C C 97.32 6.81 12.79 21.14 119.04 121.52 -90.99 142.50 75.84 23.54 0.62 45.99 27.08 2.63 0.07 0.63 0.00 22.75 0.86 33 T E E 75.92 6.99 13.40 22.00 123.50 -144.25 -113.10 140.93 26.29 73.62 0.09 24.00 1.59 0.17 0.01 0.07 0.00 73.66 0.50 34 V E E 43.47 11.15 11.68 24.53 123.75 -162.01 -118.46 139.38 1.78 98.21 0.01 1.66 0.08 0.01 0.00 0.00 0.00 98.14 0.10 35 E E E 125.82 3.03 14.17 18.54 115.73 -133.87 -96.12 127.93 1.33 98.66 0.00 1.33 0.03 0.00 0.00 0.00 0.00 97.99 0.64 36 W C C 74.93 10.40 7.40 18.77 122.64 -144.09 -86.71 165.76 83.19 16.75 0.06 82.90 0.54 0.10 0.01 0.03 0.00 15.26 1.16 37 E C T 160.40 1.27 10.13 12.22 90.96 -97.53 -62.00 -25.58 97.28 1.84 0.88 0.92 4.11 92.46 0.02 0.85 0.00 1.44 0.19 38 D C T 118.97 0.88 10.12 11.04 92.83 55.01 -86.81 2.37 99.04 0.14 0.82 0.37 3.51 95.11 0.01 0.89 0.00 0.08 0.02 39 G C S 53.41 1.83 10.81 13.75 97.41 -101.46 87.35 5.27 98.52 0.45 1.03 9.53 84.43 4.70 0.06 0.89 0.00 0.25 0.15 40 N C C 80.22 3.95 10.78 16.85 119.20 133.22 -81.03 147.00 96.32 3.65 0.03 93.80 2.47 0.19 0.01 0.02 0.00 3.17 0.34 41 T E E 83.37 5.50 12.88 20.46 120.37 -138.03 -107.30 135.26 1.53 98.47 0.00 1.49 0.08 0.00 0.00 0.00 0.00 96.45 1.98 42 Y E E 61.15 12.74 12.48 26.37 125.95 -173.11 -123.56 142.94 2.99 97.00 0.00 2.83 0.10 0.01 0.00 0.00 0.00 96.97 0.09 43 P E E 59.00 6.96 18.55 26.42 115.07 -106.63 -67.55 147.77 11.85 88.14 0.01 11.08 0.53 0.04 0.00 0.01 0.00 88.09 0.24 44 L E E 58.09 13.94 14.51 28.85 118.26 -131.62 -95.45 134.56 32.26 67.66 0.09 26.99 4.29 0.24 0.02 0.07 0.00 67.83 0.56 45 L E E 46.78 13.12 15.62 29.89 119.56 -152.72 -108.54 131.65 10.05 89.90 0.05 9.41 0.55 0.05 0.02 0.02 0.00 89.13 0.82 46 R E E 132.17 6.56 19.28 27.17 116.01 -149.25 -101.53 127.41 6.76 93.21 0.03 6.66 0.21 0.02 0.01 0.01 0.00 92.27 0.82 47 V E E 37.07 16.58 12.44 29.12 122.00 -170.75 -116.84 134.83 20.73 79.18 0.09 20.42 0.52 0.08 0.03 0.05 0.00 78.06 0.84 48 E C E 113.23 4.35 20.12 24.95 109.83 -137.57 -87.65 118.06 50.58 49.13 0.28 34.50 15.76 0.89 0.08 0.21 0.00 47.56 1.00 49 V C C 45.27 15.11 12.75 27.94 123.38 45.73 -116.33 138.95 65.91 33.58 0.51 52.06 13.27 0.82 0.21 0.36 0.00 29.16 4.12 50 T C C 51.26 6.68 17.89 25.68 127.73 -164.77 -114.81 161.50 86.08 13.42 0.50 83.56 2.38 0.46 0.20 0.28 0.00 9.76 3.37 51 S C T 61.53 9.43 13.44 23.94 91.52 -110.36 -61.83 -29.08 61.35 0.79 37.87 4.22 6.71 48.05 2.03 38.24 0.00 0.47 0.28 52 D C T 108.35 2.49 17.70 20.56 91.92 64.21 -73.29 -17.23 65.03 0.28 34.69 1.49 4.61 57.17 1.58 34.87 0.00 0.16 0.10 53 S C T 39.58 10.45 13.93 25.62 98.25 49.88 -97.51 -1.86 59.07 1.76 39.16 8.13 12.67 37.88 2.29 37.29 0.01 0.91 0.82 54 H C C 44.18 13.03 12.08 26.27 116.36 103.86 -82.22 137.76 96.37 1.82 1.81 60.30 34.68 0.90 1.41 0.38 0.00 0.38 1.95 55 P H T 65.02 6.64 15.46 23.89 92.29 -130.21 -62.23 -29.28 44.45 0.20 55.35 1.72 2.97 38.04 28.69 28.22 0.06 0.10 0.21 56 F H T 95.67 8.01 13.91 23.14 93.33 56.88 -71.08 -30.34 42.56 0.35 57.10 1.40 2.77 36.53 29.19 29.45 0.16 0.18 0.32 57 Y H G 111.39 7.55 12.67 21.36 95.47 52.18 -78.08 -26.31 39.69 1.47 58.84 3.57 5.34 27.94 28.93 31.83 0.55 0.82 1.02 58 T C T 79.99 3.58 13.11 17.76 97.75 43.52 -96.30 -5.84 57.82 3.10 39.08 7.19 11.51 37.79 24.69 14.29 0.70 1.53 2.30 59 G C T 51.15 4.07 11.58 17.38 97.02 -111.96 78.08 6.48 87.77 1.69 10.54 17.18 24.37 46.75 4.79 5.11 0.01 0.82 0.95 60 R C C 171.27 1.48 13.76 15.37 99.42 102.72 -88.33 -9.61 87.22 3.40 9.38 43.39 26.75 17.11 3.89 5.51 0.01 1.71 1.62 61 Q C C 90.51 8.29 10.28 19.86 117.63 68.13 -102.49 134.45 84.30 6.11 9.59 61.23 16.13 6.51 4.68 5.25 0.01 3.68 2.51 62 K C C 134.11 3.90 14.08 19.59 117.58 -164.64 -105.53 135.38 81.16 9.10 9.74 66.60 9.71 4.07 5.96 4.20 0.00 6.01 3.44 63 F C C 95.86 11.25 10.35 21.90 112.76 -135.35 -88.90 131.43 70.49 13.48 16.04 52.82 11.18 5.85 10.07 6.51 0.02 9.34 4.21 64 T C C 87.43 4.57 13.12 19.03 106.53 -160.66 -92.62 36.20 68.43 13.55 18.03 43.79 15.57 9.11 11.09 7.23 0.05 9.62 3.55 65 Q C C 109.78 5.16 11.29 18.03 106.43 61.39 -92.55 94.29 71.50 9.91 18.59 46.96 14.10 10.14 11.85 7.10 0.02 6.89 2.94 66 A C C 66.61 5.61 10.29 17.46 102.97 102.31 -81.56 -10.10 70.70 4.18 25.12 26.43 20.26 24.64 17.98 6.51 0.10 2.65 1.42 67 D C T 113.10 1.98 13.06 15.52 101.97 31.34 -87.25 32.81 74.66 0.86 24.48 11.32 22.27 40.82 19.29 5.32 0.05 0.38 0.54 68 G C S 40.78 4.69 12.99 19.02 101.59 -58.82 75.33 -12.00 69.34 1.60 29.06 16.84 29.95 22.40 25.13 4.06 0.08 0.64 0.90 69 R H H 119.51 5.37 15.02 21.30 94.88 77.21 -68.27 -36.61 15.33 1.26 83.41 8.00 3.92 5.01 80.18 1.74 0.06 0.71 0.39 70 V H H 45.46 10.72 12.73 24.48 92.69 51.91 -66.24 -41.61 5.62 0.71 93.67 2.49 1.00 2.59 91.99 1.22 0.04 0.57 0.10 71 D H H 76.25 3.24 16.46 20.23 92.37 51.48 -64.55 -40.83 3.66 0.74 95.60 1.76 0.56 1.69 93.85 1.35 0.02 0.71 0.05 72 R H H 126.03 2.05 17.28 18.74 92.36 50.17 -65.50 -40.95 3.32 0.74 95.95 1.24 0.53 1.85 94.16 1.43 0.03 0.70 0.05 73 F H H 57.58 8.24 13.61 23.76 92.41 50.23 -65.03 -41.75 3.75 0.86 95.38 1.30 0.63 2.19 93.59 1.38 0.04 0.79 0.07 74 N H H 57.56 8.57 12.44 22.57 92.43 51.86 -64.21 -40.01 4.47 0.55 94.98 1.63 0.63 2.50 93.08 1.56 0.02 0.52 0.05 75 K H H 147.46 1.30 15.29 16.19 92.42 50.44 -65.81 -38.06 5.49 0.28 94.23 1.04 0.53 3.97 91.27 2.85 0.03 0.28 0.03 76 K H H 137.43 2.03 14.23 16.68 93.40 49.63 -69.74 -34.52 9.56 0.18 90.26 0.89 0.74 7.75 88.28 2.12 0.03 0.15 0.04 77 Y H H 107.19 7.60 11.62 20.58 99.08 35.39 -99.13 0.10 39.16 0.44 60.40 2.61 4.08 31.79 58.66 2.29 0.12 0.20 0.24 78 G C T 49.01 2.92 15.62 19.12 99.18 -113.64 73.34 22.85 94.22 0.56 5.23 22.56 7.55 64.52 3.52 1.32 0.00 0.33 0.21 79 L C C 61.16 11.75 9.03 21.29 111.02 149.61 -88.75 120.11 82.07 3.05 14.89 64.18 8.65 9.01 7.62 7.27 0.00 1.70 1.58 80 K C C 136.02 3.36 14.15 18.81 110.20 -166.63 -97.34 94.03 76.26 3.43 20.31 47.37 15.02 13.73 9.14 11.19 0.01 1.77 1.78 81 D C C 86.26 6.44 11.49 19.22 109.03 -96.05 -90.65 100.50 73.52 2.65 23.83 44.13 15.39 14.08 8.20 15.49 0.01 1.32 1.39 82 E C T 128.94 4.58 11.60 17.73 100.71 154.87 -80.44 -7.48 74.68 1.86 23.46 26.87 20.28 28.55 7.32 15.02 0.02 0.91 1.04 83 N C C 111.90 3.24 11.40 16.06 103.12 67.33 -90.51 28.28 79.06 2.56 18.38 33.25 17.98 28.92 4.86 12.44 0.01 1.34 1.20 84 A C C 62.39 6.65 8.46 16.63 112.60 138.66 -85.79 130.22 86.57 4.42 9.00 54.50 23.52 8.29 3.33 5.42 0.00 1.92 3.01 85 N C C 109.18 3.02 9.84 14.66 115.17 -132.92 -93.12 129.67 95.26 2.95 1.79 65.01 27.84 2.38 0.78 0.92 0.00 1.39 1.68 86 P C C 103.03 3.40 8.38 13.78 106.88 -121.60 -68.91 130.55 91.80 2.75 5.45 60.66 13.02 18.10 1.35 4.14 0.00 1.68 1.06 87 D C C 119.33 1.61 8.38 11.49 109.49 -121.80 -83.40 117.54 94.13 2.10 3.77 81.86 1.73 11.34 1.16 1.77 0.00 1.27 0.87 88 A C C 81.65 3.41 9.49 14.59 106.97 -127.33 -81.91 111.24 99.86 0.11 0.03 99.76 0.10 0.06 0.01 0.00 0.00 0.06 0.01