# 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 A C C 58.62 8.24 15.48 24.21 110.28 54.98 -77.70 129.23 99.71 0.09 0.19 99.61 0.10 0.10 0.13 0.01 0.00 0.04 0.02 1 A C C 61.23 7.65 13.03 21.65 99.74 56.18 -71.99 -31.43 52.91 1.93 45.17 44.13 1.71 7.78 38.27 6.23 0.00 1.20 0.69 2 A H H 67.11 5.26 12.47 19.14 97.84 57.41 -72.48 -28.09 41.51 3.77 54.72 25.09 7.15 10.61 43.57 9.98 0.05 2.66 0.89 3 A H H 68.37 4.41 13.36 18.98 100.91 60.20 -74.32 -23.94 35.58 5.63 58.78 22.85 6.12 7.90 46.31 11.28 0.05 4.46 1.03 4 A H H 58.79 7.16 13.02 21.40 101.93 58.01 -75.28 -16.37 33.78 7.47 58.75 22.72 5.84 7.07 47.84 9.13 0.06 6.00 1.34 5 I H H 81.75 9.87 12.95 23.50 102.41 61.06 -78.92 -15.64 33.66 11.63 54.71 22.25 6.44 7.07 46.32 6.46 0.12 9.47 1.87 6 R H H 142.16 5.21 14.97 21.42 101.32 61.77 -81.51 -9.59 37.74 10.15 52.11 22.18 7.03 10.21 44.77 5.74 0.17 8.13 1.77 7 G C H 41.45 6.51 14.81 22.21 104.64 53.78 -71.66 -36.63 47.82 6.75 45.43 24.79 9.64 14.80 37.61 6.59 0.16 4.95 1.45 8 V C H 75.96 9.82 12.80 23.26 105.98 61.60 -86.01 47.56 48.13 9.03 42.85 23.30 10.72 16.12 33.05 8.00 0.37 6.03 2.40 9 R C H 147.36 5.62 14.69 21.67 103.81 64.46 -78.64 53.56 59.13 5.31 35.56 23.05 12.61 24.42 26.01 8.62 0.24 3.19 1.86 10 G C T 45.72 6.40 14.97 22.34 105.86 43.77 -65.13 -15.43 72.49 3.05 24.46 26.72 17.82 28.98 14.72 8.79 0.06 1.57 1.34 11 K C C 125.31 6.28 16.44 23.84 108.65 62.30 -88.58 93.62 79.59 4.31 16.10 38.49 19.58 22.43 7.41 8.01 0.02 2.35 1.70 12 L C C 70.20 13.56 16.26 29.37 107.04 86.85 -83.71 105.22 84.04 6.26 9.70 47.56 18.07 19.24 3.18 6.05 0.01 4.22 1.66 13 G C C 28.67 10.80 21.42 32.07 102.25 -127.61 83.87 7.70 86.88 9.65 3.46 56.22 14.61 16.14 0.78 2.65 0.00 8.18 1.41 14 L C C 17.62 23.00 14.15 36.52 114.98 136.36 -87.86 129.13 67.31 32.13 0.56 62.65 3.07 0.64 0.13 0.37 0.00 31.55 1.59 15 R C E 111.12 8.40 23.51 32.04 101.57 176.37 -95.49 -29.50 59.36 40.42 0.22 38.86 19.50 0.87 0.03 0.18 0.00 39.97 0.59 16 E E E 58.10 11.39 24.42 36.08 133.89 10.00 -144.77 143.99 8.51 91.33 0.16 6.79 1.39 0.18 0.02 0.10 0.00 91.35 0.16 17 I E E 4.98 25.76 18.12 44.47 121.56 -160.05 -118.39 129.40 1.49 98.50 0.01 1.31 0.06 0.00 0.00 0.00 0.00 98.60 0.02 18 R E E 64.79 11.68 27.61 39.81 119.43 -164.88 -115.31 126.43 0.33 99.66 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 19 I E E 3.32 26.08 20.28 47.18 118.74 -163.75 -111.90 126.29 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 20 H E E 39.07 13.50 27.96 41.97 115.24 -163.22 -109.03 121.76 0.93 99.07 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.10 0.03 21 L E E 7.11 24.23 20.24 44.30 123.81 -169.73 -109.63 142.74 24.33 75.65 0.02 22.23 1.02 0.04 0.00 0.01 0.00 76.23 0.47 22 C C C 15.65 16.04 20.80 37.51 114.22 -135.75 -96.46 126.61 87.25 12.69 0.07 86.45 1.26 0.19 0.01 0.04 0.00 11.24 0.80 23 Q C S 78.56 12.72 18.64 31.49 98.00 -158.05 -78.69 -7.52 98.77 0.93 0.30 15.22 51.38 32.31 0.05 0.26 0.00 0.55 0.23 24 R C S 152.33 3.74 19.31 23.58 99.58 62.27 -91.01 -7.78 99.22 0.39 0.38 6.82 65.59 26.92 0.05 0.25 0.00 0.16 0.21 25 S C S 35.44 10.47 13.30 25.23 127.19 76.27 -112.33 151.17 99.32 0.38 0.30 37.86 60.91 0.54 0.11 0.11 0.00 0.08 0.38 26 P H G 102.93 2.85 18.08 21.67 92.57 -113.05 -61.11 -30.35 17.58 0.05 82.37 1.02 1.55 13.74 3.02 80.62 0.00 0.03 0.01 27 G H G 25.24 12.87 16.43 29.88 91.41 62.71 -69.18 -20.96 15.49 0.04 84.47 0.74 1.09 12.63 3.42 82.08 0.00 0.02 0.01 28 S H G 7.31 21.71 13.14 35.25 95.57 54.33 -94.44 -2.19 14.38 0.09 85.53 4.49 1.84 6.95 5.76 80.89 0.00 0.06 0.02 29 Q H H 97.40 6.41 21.98 29.70 92.69 97.11 -60.35 -39.73 4.99 0.01 95.00 0.69 0.56 3.61 93.65 1.48 0.01 0.00 0.00 30 G H H 25.57 8.01 23.18 31.89 92.26 49.15 -63.02 -40.61 3.04 0.00 96.96 0.17 0.22 2.64 96.03 0.93 0.00 0.00 0.00 31 V H H 5.05 24.46 18.77 43.06 92.00 50.86 -65.48 -42.32 0.61 0.00 99.39 0.09 0.04 0.37 98.99 0.51 0.00 0.00 0.00 32 R H H 64.13 16.64 21.52 37.00 91.58 52.88 -62.01 -42.56 0.20 0.00 99.80 0.03 0.01 0.09 99.77 0.09 0.00 0.00 0.00 33 D H H 75.03 2.93 25.56 27.56 91.33 50.01 -63.48 -41.89 0.34 0.00 99.66 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 34 F H H 20.26 15.71 19.96 36.50 91.68 50.34 -63.60 -43.54 0.41 0.00 99.59 0.04 0.03 0.26 99.60 0.07 0.00 0.00 0.00 35 I H H 4.78 25.19 16.20 41.52 91.55 48.65 -64.09 -42.64 0.69 0.00 99.31 0.06 0.04 0.48 99.31 0.10 0.00 0.00 0.00 36 E H H 100.99 7.96 20.19 28.58 92.49 48.42 -67.09 -39.15 2.10 0.00 97.90 0.08 0.09 1.89 97.67 0.27 0.00 0.00 0.00 37 K H H 128.78 2.23 21.34 22.71 99.11 35.28 -86.51 -36.46 13.40 0.01 86.60 0.12 0.33 14.01 84.87 0.65 0.01 0.00 0.00 38 R H H 67.65 13.50 17.80 31.34 104.46 25.06 -106.30 -28.71 37.64 0.02 62.34 0.38 0.96 36.08 61.69 0.84 0.02 0.00 0.02 39 Y H H 13.40 23.57 15.18 38.21 93.47 57.78 -65.85 -42.53 7.15 0.06 92.79 1.84 0.85 4.10 92.08 1.07 0.01 0.02 0.02 40 V H H 60.63 6.71 20.59 28.09 91.91 51.83 -62.75 -41.69 1.10 0.00 98.90 0.27 0.09 0.58 98.66 0.39 0.00 0.00 0.00 41 E H H 99.58 2.88 22.90 24.90 91.97 49.96 -64.72 -40.85 0.43 0.00 99.57 0.08 0.03 0.24 99.33 0.32 0.00 0.00 0.00 42 L H H 11.36 19.32 15.24 35.05 92.16 50.51 -64.88 -41.97 0.22 0.00 99.78 0.03 0.02 0.14 99.57 0.25 0.00 0.00 0.00 43 K H H 68.56 15.01 15.03 29.69 91.74 52.61 -64.51 -36.61 0.62 0.00 99.38 0.05 0.03 0.45 99.13 0.32 0.00 0.00 0.00 44 K H H 154.14 1.26 18.77 19.02 92.38 50.95 -67.05 -35.77 3.39 0.00 96.60 0.09 0.13 3.14 96.32 0.31 0.00 0.00 0.00 45 A H H 63.97 5.11 16.47 22.34 95.46 42.97 -78.59 -30.55 7.38 0.02 92.60 0.18 0.76 6.34 92.50 0.19 0.01 0.00 0.01 46 N C C 37.33 13.69 11.60 26.05 114.34 19.97 -136.10 82.25 99.85 0.09 0.06 88.35 11.30 0.17 0.04 0.01 0.00 0.02 0.11 47 P C T 89.23 6.13 13.93 22.40 92.54 178.06 -65.78 -19.57 99.70 0.05 0.25 1.06 2.72 95.97 0.02 0.18 0.00 0.03 0.02 48 D C T 116.31 1.68 19.10 20.48 92.82 61.00 -85.95 -4.59 99.80 0.05 0.14 0.56 3.59 95.66 0.01 0.13 0.00 0.03 0.01 49 L C S 16.23 21.61 10.74 32.10 115.28 104.28 -82.80 130.74 99.25 0.74 0.01 24.13 75.25 0.13 0.00 0.01 0.00 0.36 0.12 50 P C C 60.05 6.37 24.65 31.44 113.14 -120.07 -70.21 139.77 95.49 4.51 0.00 95.03 0.85 0.02 0.00 0.00 0.00 3.95 0.16 51 I E E 20.42 24.36 13.41 37.53 121.66 -157.28 -116.12 130.38 6.69 93.31 0.00 6.41 0.22 0.00 0.00 0.00 0.00 92.91 0.45 52 L E E 56.73 8.95 24.91 34.37 118.33 -164.30 -111.05 129.01 0.45 99.55 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 53 I E E 51.26 20.38 16.07 35.30 120.83 -159.24 -112.16 128.44 0.29 99.71 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 54 R E E 95.34 8.12 22.11 31.05 130.20 174.61 -133.48 144.78 0.53 99.47 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.44 0.02 55 E E E 101.80 10.24 18.19 28.94 115.01 -126.08 -80.71 133.60 5.13 94.87 0.00 4.93 0.14 0.01 0.00 0.00 0.00 94.70 0.22 56 C C C 25.05 17.35 11.66 28.83 119.52 -165.44 -117.11 129.73 75.60 24.28 0.12 74.75 0.87 0.16 0.02 0.09 0.00 23.39 0.71 57 S C T 79.95 3.15 16.54 20.70 108.57 -158.00 -92.26 121.84 92.53 6.78 0.68 27.42 28.58 36.94 0.06 0.76 0.00 5.48 0.76 58 D C S 119.36 1.74 17.54 18.95 98.21 19.27 28.67 21.83 97.12 2.50 0.39 12.97 44.46 39.77 0.02 0.48 0.00 1.97 0.32 59 V C C 41.15 15.48 12.28 27.95 120.08 113.21 -103.15 135.91 94.32 5.53 0.15 77.88 16.30 0.56 0.03 0.13 0.00 3.16 1.94 60 Q C C 84.55 7.76 22.94 30.94 118.98 -143.74 -98.89 143.23 96.77 3.20 0.03 86.09 10.68 0.26 0.00 0.03 0.00 2.59 0.36 61 P C C 15.35 21.65 16.55 38.17 113.93 -102.93 -68.25 142.72 91.69 8.29 0.02 76.49 14.45 0.26 0.00 0.02 0.00 8.50 0.27 62 K E E 62.62 11.99 25.41 37.57 134.45 -167.19 -137.77 148.93 2.27 97.72 0.00 2.16 0.09 0.00 0.00 0.00 0.00 97.53 0.22 63 L E E 5.04 25.24 18.73 44.66 121.16 -149.90 -112.33 132.24 0.38 99.62 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 64 W E E 55.71 11.44 26.30 38.50 122.11 -163.28 -114.00 134.96 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 65 A E E 3.63 24.10 17.23 41.79 131.30 -174.26 -130.62 149.16 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 66 R E E 74.80 8.85 23.57 33.29 116.56 -139.05 -105.24 126.02 0.17 99.83 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.81 0.02 67 Y C C 23.82 18.13 13.41 31.91 124.29 -153.70 -93.18 165.67 57.46 42.48 0.06 57.71 0.37 0.06 0.01 0.03 0.00 41.24 0.59 68 A C T 60.73 8.69 15.37 25.08 92.68 -96.42 -63.11 -25.14 98.34 0.33 1.32 0.20 2.31 95.99 0.01 1.26 0.00 0.19 0.03 69 F C T 135.37 3.65 15.01 19.50 95.65 54.15 -89.02 4.71 98.56 0.06 1.39 0.15 1.88 96.56 0.02 1.35 0.00 0.03 0.02 70 G C S 45.55 4.25 14.42 19.92 101.83 -96.49 92.62 2.69 98.90 0.33 0.77 17.59 78.49 2.93 0.09 0.59 0.00 0.18 0.13 71 Q C C 101.99 3.79 15.46 20.72 117.22 134.82 -79.21 143.77 97.26 2.73 0.02 97.25 0.54 0.04 0.01 0.00 0.00 1.89 0.27 72 E E E 102.73 11.27 12.75 25.00 123.79 -150.70 -114.56 138.48 1.43 98.56 0.00 1.36 0.04 0.00 0.00 0.00 0.00 98.41 0.18 73 K E E 80.59 9.19 18.01 28.48 130.82 -176.16 -134.65 146.21 0.27 99.73 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 74 N E E 84.50 11.79 16.61 29.25 125.32 -153.68 -120.96 137.30 0.37 99.63 0.00 0.31 0.02 0.00 0.00 0.00 0.00 99.67 0.00 75 V E E 29.04 15.09 17.55 33.55 127.10 -175.16 -130.61 136.71 0.73 99.27 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.30 0.02 76 S E E 52.95 6.95 23.19 30.51 112.72 -117.17 -74.87 132.75 4.86 95.13 0.01 4.67 0.15 0.01 0.00 0.00 0.00 94.97 0.19 77 L C C 6.59 25.11 13.12 39.00 98.23 -164.21 -93.96 -3.51 84.79 5.92 9.28 62.40 7.64 13.54 0.75 10.00 0.00 4.80 0.86 78 N C T 75.75 11.12 18.37 29.72 109.41 106.21 -70.63 125.85 93.26 0.63 6.11 2.11 6.86 83.65 0.26 6.49 0.00 0.38 0.24 79 N C T 124.90 2.02 20.79 22.33 94.94 17.94 49.36 16.85 94.16 0.37 5.48 3.92 8.72 80.33 0.22 6.46 0.00 0.22 0.13 80 F C C 39.82 17.30 10.78 28.03 121.56 126.54 -92.07 145.71 97.71 2.13 0.15 71.33 26.28 0.20 0.07 0.07 0.00 0.64 1.42 81 S C C 52.95 3.07 23.15 25.14 121.13 -121.81 -79.41 161.02 98.37 1.54 0.10 98.09 0.51 0.04 0.06 0.01 0.00 0.26 1.03 82 A H H 33.67 18.08 13.42 31.06 91.49 -107.12 -57.77 -38.68 0.86 0.00 99.14 0.10 0.09 0.53 99.02 0.26 0.00 0.00 0.00 83 D H H 102.43 2.11 21.15 22.89 91.38 53.40 -63.70 -39.55 0.36 0.00 99.64 0.03 0.02 0.24 99.43 0.27 0.00 0.00 0.00 84 Q H H 80.17 6.00 21.14 27.60 91.86 48.87 -66.19 -40.17 0.14 0.00 99.86 0.02 0.01 0.08 99.69 0.20 0.00 0.00 0.00 85 V H H 3.23 25.04 15.59 41.06 91.80 50.47 -63.51 -44.17 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 86 T H H 30.97 14.77 20.82 35.57 91.41 50.59 -62.66 -42.70 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 87 R H H 136.93 1.96 25.81 26.18 91.62 50.11 -63.92 -41.51 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 88 A H H 14.77 14.30 20.68 35.78 91.69 49.97 -63.81 -42.70 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 89 L H H 4.57 25.55 17.75 43.45 91.60 50.05 -63.55 -42.95 0.15 0.00 99.85 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 90 E H H 89.13 8.33 22.16 30.83 91.27 50.85 -63.03 -41.06 0.40 0.00 99.60 0.05 0.02 0.25 99.60 0.08 0.00 0.00 0.00 91 N H H 89.91 2.88 23.59 25.68 91.86 49.87 -65.50 -40.33 1.82 0.00 98.18 0.15 0.10 1.37 98.15 0.23 0.00 0.00 0.00 92 V H H 15.90 18.65 16.78 35.56 92.35 49.84 -65.92 -40.79 4.83 0.02 95.15 0.47 0.37 3.64 95.06 0.45 0.00 0.01 0.00 93 L H H 39.76 17.26 15.73 32.56 92.56 52.41 -68.83 -29.42 16.77 0.14 83.08 2.88 2.21 11.30 82.60 0.86 0.02 0.05 0.08 94 S C H 84.04 2.08 18.67 20.53 95.80 53.18 -85.18 -5.57 49.65 0.75 49.60 11.40 7.41 30.45 48.48 1.55 0.04 0.27 0.39 95 S C C 52.75 9.36 10.21 20.72 114.24 94.26 -81.96 144.35 75.88 1.98 22.13 33.24 21.42 20.50 20.64 2.44 0.02 0.81 0.94 96 K C C 153.71 2.27 13.62 17.24 112.66 -129.34 -90.13 132.06 89.25 2.82 7.93 79.06 2.05 8.07 6.71 1.20 0.00 1.40 1.51 97 A C C 64.74 9.21 11.44 21.48 111.01 -113.43 -73.00 138.21 99.93 0.05 0.02 99.88 0.05 0.03 0.01 0.00 0.00 0.02 0.00