# 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 K C C 146.67 3.04 12.18 16.68 110.92 -148.78 -87.58 127.88 99.94 0.03 0.02 99.85 0.08 0.04 0.01 0.00 0.00 0.01 0.01 1 K C C 138.82 3.92 9.57 15.43 112.46 -139.86 -89.05 129.15 92.40 1.63 5.97 88.13 1.13 4.13 3.53 1.45 0.00 0.90 0.74 2 K C C 149.32 2.26 10.57 14.38 115.08 -149.14 -96.42 132.10 87.29 3.96 8.75 65.08 13.12 8.98 5.09 3.70 0.00 2.23 1.80 3 W C C 125.78 9.43 7.58 17.58 115.03 -145.02 -96.26 134.98 82.40 5.75 11.85 58.65 14.55 8.94 7.41 4.68 0.01 3.19 2.57 4 S C C 62.47 3.59 11.92 16.74 118.76 -151.12 -93.01 153.13 83.42 3.58 13.00 64.37 11.16 7.40 9.49 4.03 0.00 2.04 1.51 5 K C H 148.18 3.23 10.40 15.41 96.16 -117.78 -66.78 -27.29 55.35 1.44 43.21 23.44 16.14 17.00 34.08 7.92 0.05 0.67 0.68 6 K C H 145.01 1.73 12.44 14.69 97.63 62.47 -74.30 -26.66 52.00 1.09 46.92 20.53 14.12 18.38 37.94 7.95 0.05 0.52 0.51 7 S H H 57.71 5.02 11.85 18.37 99.43 54.62 -77.23 -23.66 47.37 1.99 50.64 29.42 8.69 10.27 42.05 7.70 0.03 1.09 0.75 8 M H H 76.42 9.72 10.83 21.31 100.97 64.99 -76.00 -29.52 33.24 2.05 64.70 23.26 5.92 5.93 57.50 5.55 0.02 1.21 0.60 9 K H H 118.32 4.18 14.85 19.97 98.28 66.35 -71.99 -34.48 28.86 1.77 69.37 18.57 5.11 6.92 61.69 6.05 0.02 1.17 0.46 10 D H H 78.95 4.64 15.71 21.13 99.08 52.84 -73.99 -27.48 29.60 1.56 68.83 19.24 4.81 7.22 60.38 6.89 0.02 1.03 0.42 11 R H H 104.84 9.92 15.15 25.47 94.83 57.54 -68.73 -33.43 23.49 1.18 75.33 13.13 4.15 7.55 63.46 10.52 0.04 0.75 0.39 12 A H H 39.76 12.21 14.01 26.73 93.20 60.93 -67.88 -29.69 23.36 0.98 75.67 9.81 3.71 9.57 58.36 17.55 0.06 0.63 0.32 13 Q H H 113.46 4.91 18.29 23.99 93.55 62.41 -72.79 -18.08 36.89 1.01 62.11 6.93 5.21 23.18 46.24 17.18 0.20 0.61 0.44 14 H C T 95.20 9.13 16.79 26.56 99.19 49.62 -98.69 6.67 55.25 1.71 43.03 10.29 8.33 35.61 29.23 14.47 0.20 1.00 0.88 15 A C C 37.09 14.30 14.92 29.53 117.92 110.18 -84.16 142.97 71.95 18.80 9.25 45.90 20.23 5.93 6.84 3.09 0.06 11.21 6.74 16 V C C 49.31 14.26 17.01 31.53 116.39 -144.03 -102.09 126.54 60.78 32.81 6.41 48.15 7.86 3.61 4.80 2.33 0.04 27.33 5.87 17 I C C 88.20 8.89 20.12 29.60 116.46 -157.02 -101.92 125.53 62.96 33.36 3.68 52.43 7.09 2.05 2.93 1.32 0.01 26.94 7.23 18 L C C 30.10 20.01 10.93 29.89 119.96 -152.59 -100.01 137.64 85.09 13.79 1.12 75.51 8.86 0.74 0.93 0.35 0.00 10.76 2.85 19 D C C 84.62 3.45 18.23 21.65 114.61 -115.09 -77.17 144.17 98.43 1.02 0.55 97.29 1.14 0.20 0.44 0.06 0.00 0.64 0.22 20 Q H H 119.29 4.83 12.85 19.57 92.88 -115.37 -60.36 -38.27 1.81 0.00 98.18 0.29 0.25 1.00 98.17 0.29 0.00 0.00 0.00 21 E H H 132.69 1.13 16.99 16.65 92.18 52.23 -64.83 -39.98 1.27 0.00 98.72 0.16 0.11 0.85 98.46 0.41 0.00 0.00 0.00 22 K H H 69.26 9.75 15.45 26.28 92.43 48.03 -66.64 -39.87 0.67 0.00 99.33 0.14 0.06 0.38 99.00 0.43 0.00 0.00 0.00 23 Y H H 31.05 18.34 13.17 31.42 91.48 52.42 -62.85 -42.45 0.32 0.00 99.68 0.07 0.02 0.16 99.66 0.10 0.00 0.00 0.00 24 D H H 75.69 3.46 20.32 23.81 91.42 50.89 -63.23 -40.89 0.49 0.00 99.51 0.07 0.02 0.28 99.57 0.05 0.00 0.00 0.00 25 R H H 114.28 3.38 21.06 24.08 91.62 50.54 -64.42 -41.26 0.48 0.00 99.51 0.04 0.02 0.34 99.52 0.08 0.00 0.00 0.00 26 I H H 9.50 20.62 15.52 36.49 92.04 49.87 -63.97 -42.73 0.30 0.00 99.70 0.03 0.02 0.20 99.60 0.16 0.00 0.00 0.00 27 L H H 50.92 15.26 16.95 31.95 91.47 52.49 -63.90 -37.97 0.89 0.00 99.10 0.05 0.04 0.74 98.46 0.71 0.00 0.00 0.00 28 K H H 146.30 1.34 21.28 21.01 92.13 51.50 -68.04 -35.85 7.22 0.00 92.77 0.10 0.16 7.36 91.39 0.97 0.00 0.00 0.00 29 E H H 86.29 7.93 18.15 26.70 94.17 46.69 -76.29 -31.44 14.03 0.01 85.96 0.22 0.78 13.31 84.97 0.69 0.02 0.00 0.01 30 V C C 11.40 20.99 10.99 31.62 105.25 39.34 -112.18 48.82 93.11 0.40 6.50 50.45 38.73 3.88 5.09 1.27 0.00 0.09 0.47 31 P C T 79.92 7.18 16.01 24.79 93.04 140.46 -64.59 -24.56 93.87 0.25 5.88 23.16 5.74 64.87 0.81 5.16 0.00 0.15 0.13 32 T C T 102.30 2.16 18.47 20.42 95.40 54.09 -90.98 -4.89 93.14 0.43 6.43 8.71 9.64 73.93 0.58 6.69 0.00 0.25 0.20 33 Y C C 56.50 17.60 10.25 27.22 116.09 104.47 -79.68 136.90 95.54 2.37 2.08 83.41 10.03 2.08 0.39 1.87 0.00 1.34 0.87 34 R C S 149.09 4.58 20.11 25.87 99.01 -166.44 -87.45 -26.58 95.03 4.44 0.53 29.90 63.10 2.48 0.09 0.45 0.00 3.39 0.60 35 Y E E 90.90 11.08 20.76 32.00 128.86 31.25 -130.86 138.79 32.57 66.45 0.97 17.37 15.57 2.47 0.33 0.68 0.03 60.09 3.48 36 V E E 11.36 22.82 17.65 40.40 122.63 -172.29 -122.16 131.74 18.43 81.31 0.26 15.91 1.89 0.14 0.22 0.12 0.00 70.70 11.02 37 S C C 25.32 10.45 26.21 37.42 125.38 -133.04 -95.77 161.46 62.22 37.63 0.15 63.19 0.83 0.06 0.13 0.04 0.00 34.16 1.61 38 V H H 18.33 22.45 17.66 39.97 91.21 -110.32 -59.82 -37.58 1.79 0.01 98.21 0.12 0.16 1.42 97.84 0.46 0.00 0.00 0.00 39 S H H 51.39 7.28 23.25 31.02 91.61 56.09 -62.95 -40.40 0.93 0.01 99.06 0.07 0.06 0.75 98.63 0.49 0.00 0.00 0.00 40 V H H 39.20 8.95 22.40 32.39 91.94 48.89 -65.23 -42.10 0.52 0.01 99.47 0.06 0.04 0.37 98.88 0.63 0.00 0.01 0.00 41 L H H 3.87 24.02 16.58 40.92 91.89 49.55 -64.21 -43.24 0.71 0.03 99.26 0.11 0.10 0.47 98.97 0.32 0.01 0.01 0.01 42 V H H 22.11 15.25 16.26 32.27 91.98 49.77 -63.97 -42.86 1.70 0.08 98.21 0.24 0.27 1.15 97.93 0.32 0.02 0.03 0.03 43 D H H 103.95 1.76 20.28 21.16 92.37 48.01 -65.56 -41.04 2.57 0.03 97.40 0.23 0.20 2.01 96.85 0.66 0.02 0.01 0.01 44 R H H 118.78 7.23 17.39 25.43 92.61 45.69 -69.25 -37.09 5.40 0.02 94.58 0.19 0.41 4.72 94.03 0.62 0.02 0.01 0.01 45 L H H 37.90 15.68 13.40 29.31 96.20 35.72 -96.26 -4.31 20.55 0.11 79.34 1.29 3.28 15.69 78.82 0.78 0.04 0.03 0.08 46 K C T 166.89 1.29 19.77 20.32 93.45 -126.40 57.07 40.48 99.60 0.06 0.34 22.41 7.44 69.85 0.16 0.09 0.00 0.03 0.02 47 I C C 37.18 16.71 11.35 27.95 127.72 132.45 -120.05 148.97 98.68 1.10 0.22 80.36 17.55 0.64 0.13 0.08 0.00 0.35 0.90 48 G C C 41.82 3.60 21.88 24.94 118.31 -105.31 -76.17 160.12 99.35 0.33 0.32 98.15 1.07 0.25 0.20 0.05 0.00 0.10 0.20 49 G H H 31.00 14.19 15.54 28.98 96.07 -113.42 -59.05 -40.18 16.82 0.09 83.10 3.17 5.19 8.58 81.20 1.76 0.02 0.02 0.06 50 S H H 67.44 3.76 23.81 27.09 93.02 52.70 -65.46 -40.50 6.91 0.03 93.06 0.91 0.95 4.76 91.60 1.74 0.02 0.01 0.02 51 L H H 39.42 13.61 21.52 35.16 92.23 50.10 -65.48 -41.23 1.74 0.01 98.25 0.37 0.18 1.03 97.18 1.23 0.01 0.00 0.00 52 A H H 2.05 25.86 16.81 43.19 91.20 51.63 -63.34 -42.83 0.27 0.00 99.73 0.06 0.02 0.13 99.60 0.19 0.00 0.00 0.00 53 R H H 98.94 11.29 25.17 36.07 91.46 51.53 -63.00 -41.78 0.13 0.00 99.87 0.01 0.00 0.07 99.84 0.06 0.00 0.00 0.00 54 I H H 64.35 5.51 27.43 33.71 91.24 50.37 -63.60 -42.99 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 55 A H H 3.04 22.39 22.10 44.57 91.44 49.98 -63.44 -43.93 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 56 L H H 3.44 25.74 20.83 46.49 91.36 49.70 -64.14 -42.20 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 57 R H H 115.86 5.46 25.95 31.72 91.47 51.22 -63.27 -42.62 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 58 H H H 66.52 7.40 23.41 31.45 91.77 49.20 -64.50 -41.90 0.16 0.00 99.84 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 59 L H H 4.79 22.94 15.48 38.92 91.66 49.85 -64.08 -42.53 0.24 0.00 99.76 0.03 0.01 0.13 99.73 0.09 0.00 0.00 0.00 60 E H H 68.61 13.59 16.47 29.94 91.84 50.38 -63.38 -41.61 0.36 0.00 99.63 0.04 0.02 0.25 99.43 0.26 0.00 0.00 0.00 61 K H H 159.44 1.02 19.23 18.85 90.81 51.38 -64.64 -31.94 2.99 0.00 97.01 0.06 0.06 3.03 96.48 0.37 0.00 0.00 0.00 62 E C T 102.12 6.08 15.33 22.77 92.20 51.65 -85.11 -5.04 83.57 0.01 16.42 0.07 0.40 83.51 15.76 0.26 0.00 0.00 0.01 63 G C T 45.26 4.44 18.81 24.26 94.24 -113.38 79.52 13.96 99.92 0.00 0.07 0.10 0.58 99.29 0.02 0.01 0.00 0.00 0.00 64 I C S 27.35 16.49 16.59 33.88 95.32 119.36 -81.14 -25.89 99.71 0.28 0.01 7.64 91.68 0.49 0.00 0.00 0.00 0.16 0.02 65 I E E 3.45 25.75 13.06 39.79 132.34 30.15 -134.42 148.02 20.42 79.58 0.00 10.10 11.99 0.15 0.00 0.00 0.00 76.76 0.99 66 K E E 104.11 5.10 25.69 31.30 123.03 -155.75 -119.72 134.29 3.10 96.90 0.00 2.86 0.10 0.00 0.00 0.00 0.00 97.00 0.04 67 P E E 58.47 16.13 15.60 31.19 111.00 -112.94 -67.77 130.34 1.50 98.50 0.00 1.51 0.01 0.00 0.00 0.00 0.00 98.45 0.02 68 I E E 65.84 10.32 17.00 28.48 101.42 176.87 -97.37 -31.75 3.79 96.20 0.01 2.63 0.75 0.03 0.00 0.00 0.00 96.57 0.03 69 S E E 44.45 6.36 18.99 26.67 139.14 -3.25 -154.39 155.67 1.60 98.39 0.01 1.16 0.21 0.03 0.00 0.00 0.00 98.58 0.02 70 K E E 121.38 9.03 12.22 23.07 123.32 -156.51 -127.71 132.44 5.45 94.52 0.03 4.55 0.49 0.08 0.00 0.02 0.00 94.74 0.12 71 H E E 96.80 5.84 12.22 19.78 121.71 170.84 -126.37 125.82 41.25 58.63 0.12 36.74 2.83 0.35 0.02 0.10 0.00 59.45 0.51 72 S C T 96.68 1.05 13.85 14.47 101.83 -55.31 43.23 -98.96 98.34 0.71 0.95 2.93 36.45 58.89 0.03 1.06 0.00 0.54 0.10 73 K C T 157.22 2.85 13.51 17.11 97.87 -12.69 -94.37 1.82 98.63 0.45 0.92 2.66 35.47 60.36 0.02 1.09 0.00 0.33 0.07 74 Q E E 60.80 11.71 13.53 26.29 125.65 85.33 -114.31 143.00 28.95 70.81 0.24 20.00 7.74 1.64 0.03 0.23 0.00 69.94 0.42 75 A E E 20.65 14.49 17.95 33.59 119.50 -143.51 -103.88 135.05 3.68 96.31 0.00 3.51 0.09 0.00 0.00 0.00 0.00 96.36 0.04 76 I E E 17.56 16.16 21.94 39.07 120.59 -158.83 -113.80 130.78 0.42 99.58 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 77 Y E E 13.76 21.63 20.22 41.84 126.86 -168.56 -117.73 143.40 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 78 T E E 26.77 13.53 23.53 37.42 133.52 -175.89 -133.14 152.94 0.63 99.37 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.37 0.02 79 R E E 85.62 13.94 18.33 32.02 114.81 -106.56 -74.56 140.50 9.73 90.26 0.01 9.18 0.40 0.03 0.00 0.01 0.00 89.98 0.40 80 A C C 38.08 14.04 13.16 27.37 113.20 -115.55 -73.61 145.28 91.36 8.57 0.07 90.46 0.75 0.18 0.01 0.04 0.00 8.30 0.25 81 T C C 98.33 3.68 17.22 21.73 105.40 -144.69 -89.88 84.84 99.91 0.09 0.01 99.78 0.13 0.03 0.00 0.00 0.00 0.05 0.01