# 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 93.53 8.63 13.50 22.99 114.49 -166.69 -91.69 134.35 99.80 0.09 0.11 99.73 0.07 0.07 0.06 0.01 0.00 0.04 0.02 1 A C C 63.26 5.70 12.76 19.80 106.13 -136.42 -81.11 60.18 76.42 3.00 20.58 69.01 1.41 7.52 13.97 5.03 0.00 1.73 1.34 2 W C C 129.46 8.68 11.60 21.19 100.92 59.09 -73.60 -26.72 62.53 4.65 32.82 37.24 10.83 14.61 20.14 12.49 0.03 2.83 1.81 3 K C C 106.08 8.92 12.78 22.49 97.76 66.12 -70.39 -31.00 50.28 3.37 46.35 30.23 8.98 11.03 26.52 19.98 0.03 2.14 1.09 4 T H H 80.87 5.14 14.70 20.90 97.91 60.17 -75.58 -24.41 45.33 2.31 52.36 22.50 9.05 13.96 29.52 22.73 0.05 1.38 0.82 5 A H H 53.99 7.04 15.71 23.82 99.83 56.52 -77.34 -25.97 47.72 2.26 50.02 23.08 9.01 15.66 29.08 20.92 0.06 1.31 0.87 6 L H H 40.82 17.02 13.94 30.15 96.56 63.35 -72.46 -29.50 46.45 2.71 50.84 24.79 10.28 11.97 27.49 22.85 0.07 1.51 1.04 7 T H G 52.15 13.38 15.74 28.97 96.63 65.44 -68.74 -28.61 37.90 1.99 60.11 21.23 6.05 11.14 20.25 39.49 0.02 1.30 0.52 8 T H G 85.35 5.34 20.03 25.79 95.13 61.96 -75.01 -16.67 44.86 1.69 53.46 11.96 8.24 24.79 14.07 39.19 0.05 1.10 0.60 9 T C G 50.06 11.97 18.45 30.67 98.63 54.30 -92.76 -7.33 52.08 2.40 45.51 16.95 9.02 27.25 9.56 34.81 0.03 1.65 0.73 10 F C C 18.42 23.27 13.14 35.96 115.35 94.27 -89.15 128.70 68.56 30.74 0.69 63.22 4.00 0.58 0.25 0.41 0.00 29.91 1.63 11 Q C C 85.42 7.67 23.35 31.40 101.55 175.63 -96.12 -30.31 61.86 38.04 0.11 39.34 21.34 0.45 0.02 0.07 0.00 38.33 0.44 12 E E E 58.66 11.24 24.23 35.80 136.20 5.92 -146.84 144.99 3.80 96.16 0.04 3.10 0.44 0.04 0.01 0.02 0.00 96.29 0.10 13 L E E 7.08 25.15 17.91 43.37 121.26 -159.25 -116.25 130.43 0.89 99.10 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.17 0.01 14 R E E 69.72 11.29 27.28 38.93 118.11 -163.71 -112.40 124.47 0.33 99.66 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 15 I E E 4.63 25.43 20.08 46.08 118.40 -164.33 -111.38 125.66 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 16 T E E 25.04 13.55 27.59 41.73 114.68 -163.52 -108.64 121.63 0.73 99.27 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.29 0.02 17 L E E 8.60 23.83 19.77 43.31 123.57 -166.79 -112.69 143.85 19.83 80.16 0.01 18.57 0.61 0.03 0.00 0.01 0.00 80.38 0.40 18 S C C 15.46 15.22 20.42 36.46 110.59 -133.07 -96.20 119.58 87.52 12.43 0.05 86.62 1.29 0.15 0.01 0.03 0.00 11.21 0.69 19 Q C T 83.08 12.55 17.63 30.42 95.47 -161.76 -79.01 -8.20 98.96 0.67 0.37 15.39 40.80 42.84 0.05 0.34 0.00 0.39 0.18 20 S C S 82.01 2.67 18.59 21.51 98.14 66.16 -90.64 -9.34 99.18 0.26 0.55 6.80 51.74 40.73 0.06 0.41 0.00 0.11 0.14 21 S C S 38.43 9.70 12.65 23.92 126.35 75.64 -105.82 152.80 99.08 0.35 0.57 24.62 73.71 0.79 0.25 0.17 0.00 0.07 0.39 22 S H G 87.47 2.05 17.61 20.06 92.50 -114.49 -61.29 -32.70 20.23 0.06 79.72 1.16 2.20 16.22 8.94 71.42 0.00 0.03 0.03 23 S H G 46.87 11.77 16.66 28.92 91.41 61.75 -69.42 -21.98 18.38 0.04 81.59 0.70 1.30 15.97 8.45 73.55 0.00 0.02 0.01 24 S H G 7.54 21.71 12.86 34.76 95.54 51.97 -90.97 -3.82 15.00 0.06 84.95 2.58 1.63 9.65 13.11 72.98 0.00 0.03 0.02 25 A H H 56.94 6.61 21.45 29.19 92.51 91.40 -60.38 -40.92 2.67 0.00 97.32 0.44 0.31 1.68 96.68 0.90 0.00 0.00 0.00 26 G H H 28.73 5.75 23.40 29.73 91.93 49.96 -63.58 -40.42 1.36 0.00 98.64 0.09 0.09 1.06 98.08 0.67 0.00 0.00 0.00 27 A H H 4.66 23.62 18.05 41.65 91.87 50.39 -64.91 -41.23 0.38 0.00 99.62 0.05 0.02 0.22 99.29 0.41 0.00 0.00 0.00 28 R H H 68.60 17.24 20.80 36.68 91.57 52.89 -62.12 -42.50 0.13 0.00 99.87 0.02 0.01 0.06 99.87 0.04 0.00 0.00 0.00 29 E H H 114.16 2.11 25.80 26.51 91.44 50.46 -63.88 -41.56 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 30 F H H 35.96 13.16 20.93 34.81 91.70 50.04 -63.91 -43.90 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 31 V H H 2.31 26.55 15.92 43.04 91.35 48.54 -64.03 -42.86 0.26 0.00 99.74 0.02 0.01 0.18 99.74 0.05 0.00 0.00 0.00 32 L H H 82.10 10.47 20.09 30.58 91.59 51.31 -63.39 -38.55 0.93 0.00 99.07 0.03 0.03 0.82 98.83 0.30 0.00 0.00 0.00 33 G H H 49.54 2.05 22.17 23.11 92.34 50.65 -71.37 -27.49 12.44 0.00 87.55 0.10 0.22 13.05 85.77 0.84 0.00 0.00 0.00 34 Q H H 43.76 14.64 16.00 31.08 100.06 36.04 -106.64 -4.15 42.02 0.02 57.96 0.72 0.89 39.62 57.62 1.14 0.00 0.00 0.01 35 Y H H 34.17 21.77 13.41 34.36 92.52 93.60 -59.88 -43.16 2.43 0.01 97.55 0.89 0.26 1.02 97.27 0.55 0.00 0.00 0.00 36 A H H 66.86 2.74 21.21 23.47 91.43 53.26 -63.27 -40.45 0.48 0.00 99.51 0.09 0.03 0.25 99.30 0.32 0.00 0.00 0.00 37 E H H 105.27 3.09 21.65 24.32 92.00 48.96 -65.60 -40.32 0.27 0.00 99.73 0.05 0.01 0.14 99.51 0.28 0.00 0.00 0.00 38 L H H 8.11 22.09 13.42 35.62 92.10 49.91 -64.62 -42.15 0.20 0.00 99.80 0.02 0.01 0.11 99.63 0.22 0.00 0.00 0.00 39 K H H 83.43 12.76 15.92 28.66 91.59 52.55 -63.98 -35.71 0.83 0.00 99.17 0.08 0.05 0.61 98.94 0.33 0.00 0.00 0.00 40 A H H 85.19 1.24 19.08 18.88 92.23 52.04 -67.27 -34.50 4.72 0.00 95.28 0.12 0.16 4.43 94.98 0.30 0.00 0.00 0.00 41 A H H 56.04 7.37 16.27 24.51 95.50 43.79 -78.64 -30.52 9.91 0.02 90.06 0.26 1.26 8.27 89.93 0.24 0.02 0.00 0.02 42 N C C 32.54 15.25 11.69 27.38 114.38 17.79 -136.69 84.50 99.86 0.09 0.05 91.20 8.48 0.15 0.03 0.01 0.00 0.02 0.10 43 P C T 91.98 5.27 15.10 22.64 92.60 175.61 -66.58 -18.65 99.79 0.04 0.16 0.68 2.85 96.30 0.01 0.12 0.00 0.02 0.02 44 L C T 119.61 3.09 19.11 22.60 92.18 62.11 -83.79 -7.76 99.81 0.06 0.12 0.36 3.76 95.73 0.01 0.10 0.00 0.04 0.01 45 L C S 15.71 22.20 10.91 32.82 114.79 97.39 -86.73 126.62 98.99 1.00 0.01 17.39 81.81 0.12 0.00 0.01 0.00 0.51 0.15 46 P C C 62.27 5.92 24.48 30.82 112.83 -123.24 -70.41 138.09 95.24 4.76 0.00 94.77 0.80 0.02 0.00 0.00 0.00 4.27 0.14 47 I E E 26.83 23.75 12.96 36.07 122.04 -160.45 -118.03 129.96 5.39 94.60 0.00 5.27 0.16 0.00 0.00 0.00 0.00 94.13 0.45 48 L E E 64.00 8.00 24.54 32.97 118.72 -163.98 -111.78 128.09 0.48 99.52 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 49 V E E 50.59 19.50 15.51 33.92 120.89 -161.03 -113.47 128.46 0.32 99.68 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.00 50 R E E 99.27 7.93 20.99 29.80 129.45 -177.14 -128.98 141.89 0.86 99.14 0.00 0.87 0.01 0.00 0.00 0.00 0.00 99.08 0.03 51 E E E 108.17 8.72 18.17 27.85 115.27 -125.20 -80.66 135.26 7.99 91.99 0.02 7.73 0.28 0.03 0.00 0.01 0.00 91.58 0.36 52 S C C 23.52 17.64 11.13 28.26 119.89 -165.98 -116.19 132.63 80.13 19.65 0.22 78.30 1.48 0.34 0.04 0.16 0.00 18.87 0.82 53 N C T 122.71 2.18 17.48 19.96 105.40 -155.68 -92.78 74.67 93.05 5.94 1.01 19.39 26.41 47.53 0.11 1.02 0.00 4.69 0.84 54 A C T 79.18 3.47 17.26 21.30 99.72 12.34 -58.98 14.73 96.96 2.28 0.76 10.44 35.77 50.84 0.06 0.82 0.00 1.67 0.40 55 A C C 31.81 15.58 13.06 28.61 119.14 138.03 -90.45 140.75 94.56 5.01 0.43 73.03 20.62 1.16 0.09 0.41 0.00 3.12 1.57 56 Q C C 95.07 6.34 23.32 29.96 118.39 -124.11 -90.03 143.36 94.95 4.95 0.10 84.30 10.14 0.63 0.02 0.11 0.00 4.24 0.57 57 A C C 11.06 22.37 15.81 38.11 114.66 -105.16 -69.64 141.73 79.53 20.39 0.08 69.85 7.86 0.40 0.01 0.07 0.00 21.32 0.49 58 S E E 28.10 11.99 25.60 38.09 133.83 -171.67 -137.35 149.85 2.39 97.61 0.00 2.24 0.10 0.00 0.00 0.00 0.00 97.49 0.17 59 L E E 6.25 25.01 18.79 44.31 121.69 -152.67 -113.69 132.40 0.29 99.71 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 60 T E E 27.58 11.35 26.28 38.56 124.62 -169.85 -121.80 137.70 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 61 A E E 4.53 23.78 17.22 41.32 131.10 -174.13 -131.07 148.18 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.95 0.00 62 R E E 78.60 8.66 23.49 32.92 117.94 -144.96 -108.45 126.66 0.23 99.77 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.76 0.01 63 Y C C 28.79 17.83 12.83 30.81 126.60 -161.30 -100.41 166.16 50.02 49.88 0.10 49.51 0.54 0.10 0.01 0.05 0.00 49.24 0.54 64 D C T 88.57 6.98 15.64 23.51 96.08 -93.40 -65.19 -21.31 96.59 0.89 2.52 0.52 4.31 91.74 0.04 2.74 0.00 0.56 0.09 65 F C T 144.55 3.53 14.62 18.76 96.03 45.44 -84.52 6.74 97.06 0.10 2.84 0.35 3.14 93.20 0.04 3.19 0.00 0.05 0.03 66 G C S 45.58 4.23 14.51 19.87 102.23 -94.80 90.93 2.55 97.08 0.95 1.97 16.77 72.13 8.13 0.16 1.92 0.00 0.62 0.29 67 V C C 74.74 5.54 14.68 21.74 116.58 135.96 -83.49 137.34 90.79 9.18 0.03 91.13 0.69 0.05 0.01 0.01 0.00 7.53 0.58 68 E E E 97.54 11.78 13.05 25.59 123.75 -158.29 -116.66 137.35 1.60 98.40 0.00 1.50 0.06 0.00 0.00 0.00 0.00 98.31 0.12 69 K E E 81.77 9.32 18.07 28.59 129.13 -175.74 -132.94 142.64 0.34 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 70 K E E 106.81 11.54 16.62 29.11 123.94 -157.78 -120.00 135.04 0.51 99.49 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.54 0.01 71 V E E 30.31 14.85 17.34 33.20 125.06 -172.81 -128.33 131.66 1.29 98.71 0.00 1.19 0.04 0.00 0.00 0.00 0.00 98.73 0.03 72 S E E 60.64 6.60 22.72 29.82 114.39 -127.80 -81.91 132.75 6.40 93.58 0.02 5.94 0.23 0.03 0.00 0.01 0.00 93.53 0.25 73 I C C 10.83 23.44 12.42 36.07 105.79 -170.22 -109.44 30.98 76.03 23.61 0.36 75.03 1.05 0.30 0.07 0.25 0.00 22.31 0.99 74 E C T 109.17 6.24 19.03 26.58 113.50 145.74 -71.88 136.23 92.25 7.10 0.65 11.04 10.92 70.61 0.08 0.60 0.00 5.96 0.77 75 N C T 127.13 2.01 19.23 21.06 93.11 6.47 64.50 25.06 97.93 1.68 0.39 5.36 18.80 73.78 0.03 0.42 0.00 1.44 0.18 76 D C C 34.76 16.46 10.64 26.95 121.26 137.60 -95.91 148.09 94.15 5.67 0.18 81.82 12.33 0.27 0.08 0.10 0.00 2.85 2.54 77 S C C 54.17 3.07 23.05 25.00 123.41 -124.23 -83.04 165.88 96.50 3.29 0.21 95.31 1.40 0.08 0.16 0.02 0.00 0.71 2.31 78 A H H 39.45 17.02 13.71 30.24 91.64 -99.19 -58.34 -38.34 1.22 0.00 98.78 0.13 0.13 0.80 98.66 0.28 0.00 0.00 0.00 79 S H H 79.86 1.83 21.14 22.27 91.72 53.10 -64.04 -39.32 0.65 0.00 99.35 0.05 0.04 0.47 99.13 0.32 0.00 0.00 0.00 80 G H H 24.34 5.83 19.75 26.79 91.78 49.53 -64.74 -40.72 0.35 0.00 99.65 0.06 0.02 0.20 99.39 0.33 0.00 0.00 0.00 81 I H H 5.16 23.81 15.27 39.43 91.68 49.64 -63.89 -44.04 0.15 0.00 99.85 0.02 0.01 0.07 99.85 0.05 0.00 0.00 0.00 82 L H H 45.12 14.73 20.15 34.64 91.41 50.98 -62.31 -42.51 0.15 0.00 99.85 0.02 0.01 0.07 99.87 0.02 0.00 0.00 0.00 83 S H H 67.82 1.91 25.21 25.21 91.68 50.31 -64.25 -41.56 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 84 K H H 69.06 11.64 21.89 33.42 91.87 49.00 -65.14 -41.67 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 85 L H H 3.48 25.93 16.72 43.03 91.46 49.55 -63.85 -43.07 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 86 E H H 85.72 9.15 22.46 31.79 91.32 51.28 -62.58 -41.34 0.34 0.00 99.66 0.04 0.02 0.20 99.69 0.05 0.00 0.00 0.00 87 G H H 33.73 2.96 23.55 25.75 91.38 50.46 -63.71 -41.86 1.36 0.00 98.64 0.12 0.06 0.99 98.68 0.15 0.00 0.00 0.00 88 L H H 19.03 16.77 18.33 35.52 92.11 50.36 -64.88 -41.87 2.62 0.01 97.37 0.36 0.21 1.78 97.28 0.36 0.00 0.00 0.00 89 V H H 26.26 17.98 16.81 34.47 92.18 49.99 -65.40 -39.79 6.54 0.10 93.35 1.47 0.80 4.15 92.67 0.80 0.02 0.04 0.05 90 K H H 139.97 2.19 21.19 23.11 92.39 51.12 -67.64 -32.69 18.89 0.22 80.90 3.57 2.22 13.06 79.49 1.41 0.04 0.09 0.11 91 H H H 108.37 5.05 17.36 23.10 95.62 52.75 -76.78 -23.69 33.54 0.45 66.01 8.22 6.24 19.91 62.85 2.29 0.06 0.17 0.25 92 G H H 25.59 13.93 13.14 26.74 98.84 59.82 -65.09 -36.71 48.22 1.05 50.73 20.88 9.30 19.66 41.88 7.23 0.04 0.47 0.55 93 Q C H 108.94 6.00 15.11 22.25 99.33 61.28 -75.70 -14.72 56.29 1.89 41.83 24.94 11.78 20.99 29.20 11.19 0.06 0.92 0.92 94 S C C 75.91 3.79 14.01 18.96 100.62 58.63 -84.96 5.89 64.18 3.01 32.81 33.04 12.26 19.67 21.47 10.62 0.04 1.54 1.36 95 L C C 85.19 9.13 9.09 19.10 111.73 100.68 -83.92 128.20 78.60 3.60 17.80 48.41 21.59 8.92 12.38 5.25 0.01 1.67 1.76 96 A C C 79.69 3.14 10.84 15.62 109.02 -110.59 -77.98 135.79 90.71 2.09 7.20 85.41 1.12 5.15 4.70 1.50 0.00 1.10 1.01 97 K C C 148.91 3.26 11.50 16.66 109.51 -126.45 -84.80 121.71 99.94 0.04 0.01 99.88 0.06 0.03 0.01 0.00 0.00 0.02 0.01