# 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 79.60 11.64 17.62 29.27 116.57 -162.68 -97.44 134.74 99.86 0.14 0.00 99.85 0.05 0.01 0.00 0.00 0.00 0.08 0.00 1 A C C 37.33 12.01 17.65 30.20 123.93 -157.97 -106.68 144.63 66.48 33.45 0.07 65.38 0.55 0.16 0.01 0.04 0.00 33.24 0.61 2 V E E 19.35 20.05 15.64 35.50 123.34 -154.56 -114.80 136.88 13.11 86.86 0.03 11.92 0.82 0.06 0.01 0.02 0.00 86.86 0.31 3 K E E 78.31 9.70 24.28 34.22 121.00 -157.98 -112.37 132.00 3.37 96.62 0.01 2.97 0.31 0.02 0.00 0.00 0.00 96.63 0.07 4 I E E 11.23 23.97 16.96 41.05 120.25 -161.93 -111.28 130.77 1.25 98.75 0.00 1.15 0.04 0.00 0.00 0.00 0.00 98.78 0.02 5 R E E 74.17 9.72 25.77 35.86 120.76 -164.43 -112.82 135.17 0.90 99.10 0.00 0.81 0.02 0.00 0.00 0.00 0.00 99.15 0.01 6 L E E 17.02 23.39 16.38 39.35 122.89 -160.80 -111.87 136.55 0.99 99.01 0.00 0.91 0.02 0.00 0.00 0.00 0.00 99.06 0.01 7 K E E 81.88 8.16 23.49 32.21 130.83 -175.41 -132.09 147.30 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 8 R E E 108.18 12.85 16.30 29.13 114.62 -117.75 -81.79 133.21 1.08 98.92 0.00 1.02 0.03 0.00 0.00 0.00 0.00 98.91 0.04 9 M E E 68.82 10.03 15.52 26.66 129.41 -176.54 -128.08 154.88 20.78 79.20 0.03 18.57 1.26 0.10 0.00 0.01 0.00 79.76 0.28 10 G C E 38.16 3.96 15.10 20.50 130.22 29.59 119.11 -171.18 54.43 45.47 0.10 38.41 15.20 1.04 0.01 0.11 0.00 44.38 0.86 11 S C C 65.86 4.23 12.59 18.30 123.88 -63.00 -115.68 159.55 75.95 23.68 0.37 58.79 15.69 1.80 0.08 0.38 0.00 19.77 3.48 12 K C S 160.53 2.15 10.97 14.55 97.93 -92.57 -64.83 -31.73 98.60 0.54 0.86 2.66 59.38 36.73 0.03 0.76 0.00 0.31 0.13 13 K C S 173.98 0.73 13.53 13.05 96.65 28.05 -78.23 -15.03 98.73 0.42 0.85 2.75 59.14 36.94 0.03 0.79 0.00 0.26 0.10 14 K C S 105.79 5.20 13.37 20.11 113.36 40.19 -127.37 92.05 77.72 21.95 0.33 21.03 54.47 2.66 0.03 0.35 0.00 19.88 1.58 15 P C C 40.15 12.63 13.62 27.57 115.37 -151.87 -70.51 143.15 65.39 34.57 0.05 60.62 2.10 0.21 0.01 0.04 0.00 36.66 0.36 16 F E E 41.87 12.67 19.35 33.28 129.32 -171.91 -125.92 147.71 3.71 96.28 0.00 3.23 0.24 0.01 0.00 0.00 0.00 96.39 0.14 17 Y E E 30.09 19.28 19.25 38.26 125.32 -152.58 -116.32 139.43 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.01 18 R E E 53.25 14.60 24.98 39.23 129.44 -171.27 -127.01 142.45 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 19 I E E 8.46 23.48 21.07 44.77 118.06 -146.71 -105.92 128.33 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 20 V E E 13.61 17.55 25.44 43.03 126.76 -170.49 -122.93 140.66 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 21 V E E 12.26 20.73 23.48 44.02 117.70 -149.46 -105.02 128.08 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 22 A E E 9.84 16.82 20.01 37.57 133.64 173.92 -132.48 155.42 9.41 90.59 0.00 8.79 0.26 0.00 0.00 0.00 0.00 90.65 0.29 23 D E E 37.98 10.44 19.23 30.79 115.51 -105.49 -74.21 149.60 33.26 66.68 0.05 31.02 2.03 0.17 0.01 0.04 0.00 65.13 1.60 24 S C T 62.69 9.77 15.08 25.72 91.84 -115.29 -64.40 -23.67 98.83 0.70 0.47 0.75 15.44 82.80 0.02 0.41 0.00 0.48 0.11 25 R C T 173.71 1.46 17.18 17.99 94.77 58.39 -85.17 -12.19 99.05 0.50 0.45 1.04 16.18 81.91 0.02 0.42 0.00 0.34 0.09 26 F C S 79.14 9.73 10.54 21.49 118.33 61.47 -116.41 123.36 96.11 3.70 0.18 18.66 77.41 0.54 0.05 0.09 0.00 1.25 2.00 27 P C C 64.47 5.82 13.39 20.77 114.60 -120.54 -66.11 154.13 96.95 2.10 0.95 92.11 2.64 2.15 0.19 0.78 0.00 1.05 1.09 28 R C T 146.18 7.77 11.06 20.14 93.29 -105.45 -62.39 -27.24 91.31 0.92 7.77 6.06 14.81 68.38 0.38 9.35 0.00 0.51 0.51 29 D C T 118.16 1.34 15.29 16.23 95.08 55.19 -84.00 0.80 90.48 0.54 8.98 2.92 12.10 73.59 0.37 10.43 0.00 0.30 0.30 30 G C C 36.69 10.12 12.95 23.50 99.81 -99.58 82.99 5.23 90.97 1.94 7.09 39.10 35.79 14.45 0.46 8.29 0.00 0.99 0.93 31 R C C 122.16 5.95 17.26 24.36 113.34 124.98 -84.09 132.61 94.38 5.14 0.49 79.85 12.78 1.75 0.10 0.46 0.00 3.50 1.55 32 S C C 41.42 14.52 13.91 28.27 117.25 -131.61 -83.04 136.87 54.26 45.51 0.23 51.17 2.42 0.30 0.08 0.17 0.00 39.89 5.97 33 I E E 65.47 12.69 17.67 30.57 100.27 -170.24 -92.00 -32.40 48.26 51.63 0.11 23.57 24.64 0.66 0.01 0.12 0.00 50.66 0.35 34 E E E 70.54 10.06 21.13 31.51 136.34 -4.28 -146.84 147.07 6.16 93.69 0.15 4.87 1.23 0.18 0.02 0.13 0.00 93.38 0.20 35 T E E 66.37 12.70 19.90 32.30 111.77 -125.35 -85.79 123.21 2.08 97.90 0.02 2.24 0.07 0.01 0.01 0.01 0.00 97.54 0.13 36 I E E 21.15 19.32 18.31 37.75 101.02 175.98 -99.38 -22.18 4.11 95.85 0.04 3.04 0.96 0.16 0.01 0.03 0.00 95.74 0.06 37 G E E 7.46 12.87 22.21 36.36 144.28 -47.18 159.94 175.69 2.29 97.68 0.03 1.60 0.54 0.11 0.00 0.02 0.00 97.69 0.03 38 T E E 40.32 13.61 22.03 35.96 133.49 -97.98 -137.63 151.26 1.51 98.48 0.01 1.35 0.14 0.02 0.00 0.01 0.00 98.39 0.09 39 Y E E 39.78 17.47 17.56 35.25 123.56 -154.31 -118.91 134.66 5.46 94.52 0.02 4.91 0.42 0.03 0.01 0.01 0.00 93.40 1.22 40 N C C 44.78 8.87 18.81 29.52 110.81 -159.03 -111.69 105.43 71.55 28.42 0.03 68.02 2.04 0.12 0.00 0.03 0.00 29.33 0.45 41 P C T 48.97 13.01 12.96 27.21 94.14 -169.79 -68.70 -20.59 90.45 7.39 2.16 24.35 29.46 36.55 0.19 2.11 0.00 6.65 0.69 42 L C S 115.16 3.01 14.47 18.33 97.41 58.75 -82.40 -18.37 93.60 3.74 2.67 14.18 40.50 39.13 0.26 2.49 0.00 2.53 0.90 43 L C S 102.57 3.59 12.12 16.99 111.49 47.82 -102.03 36.55 94.64 2.48 2.88 22.71 48.85 23.07 0.31 2.78 0.00 1.49 0.79 44 D C S 111.66 2.40 13.40 16.79 111.40 -43.09 -105.00 105.68 96.43 2.82 0.75 37.34 49.89 9.30 0.12 0.74 0.00 1.92 0.69 45 P C C 77.18 6.80 12.12 20.32 110.44 69.89 -72.44 140.27 92.05 6.21 1.73 43.44 34.25 14.42 0.26 1.70 0.00 5.22 0.71 46 V C C 68.95 10.23 12.14 23.35 112.60 -145.34 -92.65 130.59 76.26 22.11 1.63 58.13 11.61 5.05 0.26 1.49 0.00 22.57 0.89 47 E E E 110.42 5.73 18.02 24.86 118.16 -150.47 -101.66 128.20 36.46 62.38 1.16 31.77 3.36 1.01 0.32 0.80 0.00 61.38 1.35 48 V E E 31.23 19.83 12.36 31.38 124.23 -168.97 -119.36 136.23 16.09 83.59 0.33 14.67 1.06 0.23 0.18 0.15 0.00 82.41 1.29 49 K E E 119.22 4.70 23.57 29.26 122.46 -159.92 -116.36 136.14 13.04 86.75 0.22 11.21 1.60 0.27 0.11 0.10 0.00 85.74 0.97 50 I E E 21.65 23.06 11.90 34.42 120.21 -152.76 -104.88 133.11 28.71 71.16 0.13 27.33 1.16 0.08 0.10 0.05 0.00 67.85 3.43 51 D C C 68.61 6.28 20.86 27.85 106.89 -133.00 -86.62 108.33 87.63 12.16 0.20 87.81 0.68 0.07 0.15 0.03 0.00 10.74 0.53 52 E H H 86.78 13.83 14.44 28.34 93.53 -167.30 -63.39 -36.42 2.24 0.00 97.76 0.53 0.23 1.17 97.69 0.38 0.00 0.00 0.00 53 E H H 132.27 1.51 21.73 21.84 91.61 54.02 -63.39 -40.87 0.59 0.00 99.41 0.05 0.03 0.41 99.21 0.29 0.00 0.00 0.00 54 A H H 24.75 10.17 18.59 30.33 91.82 49.24 -65.07 -41.11 0.17 0.00 99.83 0.02 0.01 0.11 99.64 0.22 0.00 0.00 0.00 55 T H H 3.64 24.30 14.57 39.19 91.31 50.95 -63.51 -43.28 0.10 0.00 99.90 0.01 0.00 0.05 99.88 0.06 0.00 0.00 0.00 56 L H H 52.30 9.90 20.65 31.41 91.44 50.66 -63.40 -41.58 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.04 0.00 0.00 0.00 57 K H H 112.08 2.41 23.92 25.02 91.62 50.72 -63.78 -42.15 0.12 0.00 99.88 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 58 W H H 26.96 16.85 17.40 34.78 91.76 49.93 -64.27 -42.62 0.30 0.00 99.70 0.02 0.01 0.24 99.49 0.24 0.00 0.00 0.00 59 M H H 33.73 19.18 15.26 33.76 91.74 50.52 -64.39 -39.69 1.07 0.00 98.93 0.06 0.04 0.95 98.28 0.66 0.00 0.00 0.00 60 H H H 139.75 2.94 18.70 22.44 90.63 55.05 -66.59 -26.06 11.05 0.01 88.94 0.20 0.30 11.11 87.64 0.73 0.01 0.00 0.01 61 N C T 100.67 3.63 17.24 21.57 93.53 54.75 -88.66 -0.17 83.08 0.03 16.89 0.49 2.17 78.97 17.63 0.69 0.00 0.01 0.04 62 G C T 42.85 5.28 18.94 25.07 100.62 -99.40 92.14 7.30 99.66 0.03 0.31 5.29 3.06 91.39 0.17 0.07 0.00 0.02 0.01 63 A C C 16.26 20.35 11.52 31.46 116.89 161.99 -71.36 143.70 98.29 1.66 0.05 97.36 1.11 0.10 0.02 0.02 0.00 1.03 0.37 64 K C C 134.41 3.34 24.41 28.40 116.35 -138.66 -104.30 129.41 89.22 10.76 0.02 89.06 1.30 0.05 0.01 0.01 0.00 8.21 1.36 65 P C C 30.21 21.83 12.81 33.65 116.70 -114.77 -69.16 148.42 83.88 16.08 0.04 85.48 0.73 0.04 0.02 0.01 0.00 9.33 4.40 66 S C C 30.97 10.48 16.73 28.55 120.94 -112.89 -74.07 162.61 98.57 1.33 0.10 98.52 0.43 0.03 0.06 0.01 0.00 0.48 0.47 67 D H H 115.00 1.90 18.36 20.45 90.91 -103.50 -60.29 -35.03 1.05 0.00 98.95 0.11 0.14 0.63 98.97 0.14 0.00 0.00 0.00 68 T H H 65.04 6.09 19.28 26.12 91.81 52.87 -64.87 -41.28 0.48 0.00 99.52 0.04 0.03 0.33 99.48 0.12 0.00 0.00 0.00 69 V H H 7.06 22.98 14.75 37.73 91.82 48.21 -65.17 -42.69 0.11 0.00 99.89 0.01 0.00 0.06 99.86 0.07 0.00 0.00 0.00 70 R H H 88.44 13.04 18.79 31.57 91.22 51.56 -62.01 -42.40 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 71 N H H 87.32 2.17 23.39 23.86 91.63 49.86 -64.28 -41.95 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 72 L H H 29.46 11.56 19.21 32.17 91.70 49.62 -64.06 -43.00 0.20 0.00 99.80 0.01 0.01 0.15 99.80 0.03 0.00 0.00 0.00 73 L H H 9.19 20.63 14.52 35.51 91.79 48.83 -64.60 -41.75 0.64 0.00 99.36 0.07 0.04 0.42 99.36 0.10 0.00 0.00 0.00 74 S H H 55.44 6.70 17.06 24.82 91.96 51.69 -64.02 -40.60 2.48 0.00 97.52 0.24 0.11 1.91 97.17 0.57 0.00 0.00 0.00 75 R H H 168.20 1.56 17.93 19.13 91.77 52.61 -65.85 -31.64 8.33 0.01 91.66 0.19 0.27 8.14 90.77 0.62 0.01 0.00 0.00 76 E C T 89.95 8.42 14.20 23.73 93.93 51.75 -85.56 -3.02 76.67 0.02 23.31 0.30 1.80 73.95 23.16 0.76 0.00 0.00 0.02 77 G C T 40.76 4.28 18.37 23.49 96.13 -112.63 80.94 12.54 98.50 0.02 1.49 1.55 2.88 94.10 1.35 0.11 0.00 0.01 0.01 78 I H H 30.43 13.33 15.14 29.98 95.37 122.46 -71.59 -34.01 18.30 0.08 81.61 12.16 2.63 3.93 80.13 1.07 0.00 0.03 0.05 79 M H H 38.26 16.00 14.71 30.70 92.93 55.79 -64.18 -42.05 3.43 0.02 96.55 0.86 0.56 2.03 95.27 1.26 0.00 0.01 0.00 80 E H H 107.37 3.23 19.79 23.00 92.04 51.89 -64.02 -41.14 1.14 0.01 98.85 0.31 0.13 0.63 97.62 1.29 0.00 0.01 0.00 81 K H H 111.42 2.88 19.50 22.10 92.13 49.03 -65.54 -41.27 1.07 0.01 98.92 0.24 0.12 0.64 97.94 1.06 0.00 0.01 0.00 82 F H H 46.14 11.57 14.98 27.81 92.64 48.14 -65.65 -41.99 1.76 0.02 98.22 0.37 0.20 1.08 97.48 0.86 0.00 0.01 0.00 83 H H H 68.88 8.79 14.50 24.75 92.38 49.48 -64.83 -40.36 3.92 0.03 96.04 0.85 0.44 2.51 95.34 0.84 0.00 0.01 0.01 84 N H H 93.48 2.24 15.72 17.97 92.92 50.00 -66.15 -38.63 7.62 0.05 92.33 1.59 0.85 4.99 91.16 1.36 0.01 0.02 0.02 85 Q H H 106.10 2.71 14.02 17.37 93.76 50.83 -68.12 -38.38 11.64 0.08 88.28 2.54 1.63 7.44 86.23 2.06 0.02 0.04 0.04 86 K H H 116.48 4.91 12.41 18.61 94.88 47.98 -72.88 -33.16 21.74 0.20 78.06 4.48 3.18 14.19 75.69 2.23 0.04 0.09 0.11 87 L H H 98.61 4.82 10.30 16.69 98.20 47.19 -84.66 -12.48 45.57 0.41 54.03 8.85 7.74 29.15 51.67 2.15 0.05 0.14 0.25 88 G C C 54.27 2.47 10.86 14.75 103.96 35.49 -6.42 9.38 85.25 0.36 14.39 47.07 2.27 34.79 14.11 1.37 0.00 0.17 0.23 89 K C C 145.13 2.90 11.34 15.89 107.63 101.04 -86.60 82.70 99.93 0.05 0.02 99.84 0.07 0.05 0.01 0.00 0.00 0.02 0.01