# 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 Q C C 112.81 5.03 14.58 21.02 115.03 -164.84 -97.97 129.07 99.87 0.12 0.00 99.86 0.05 0.01 0.00 0.00 0.00 0.07 0.01 1 D C C 93.83 6.00 13.64 21.04 114.40 -128.20 -91.77 127.50 90.45 9.34 0.21 88.96 0.58 0.84 0.04 0.11 0.00 8.85 0.62 2 T C C 49.30 12.39 13.20 26.29 120.39 -160.23 -106.90 137.57 59.39 40.40 0.21 49.12 7.25 0.90 0.03 0.20 0.00 41.79 0.70 3 K E E 94.68 9.31 19.80 29.54 120.76 -148.91 -106.41 134.94 22.95 76.97 0.08 20.63 1.55 0.15 0.02 0.06 0.00 77.03 0.58 4 Y E E 22.10 20.59 16.37 36.88 130.31 -171.00 -126.51 146.17 6.47 93.51 0.02 6.18 0.27 0.02 0.01 0.01 0.00 93.28 0.23 5 E E E 46.93 12.68 24.62 37.61 122.49 -152.55 -113.89 134.93 3.58 96.41 0.01 3.30 0.18 0.01 0.00 0.00 0.00 96.47 0.04 6 I E E 7.48 23.73 20.57 44.23 123.47 -165.75 -117.41 132.65 2.68 97.31 0.01 2.58 0.07 0.01 0.00 0.00 0.00 97.31 0.03 7 M E E 23.83 17.49 26.11 43.17 123.30 -165.27 -115.64 134.28 1.44 98.56 0.00 1.34 0.05 0.00 0.00 0.00 0.00 98.59 0.01 8 Y E E 7.98 24.28 24.03 47.70 126.14 -169.35 -121.76 135.75 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.01 9 I E E 13.53 20.09 27.33 46.87 116.84 -158.42 -107.56 124.67 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.72 0.01 10 I E E 5.66 24.12 21.07 45.12 128.40 -174.14 -122.49 145.45 1.68 98.32 0.00 1.71 0.03 0.00 0.00 0.00 0.00 98.01 0.25 11 R C C 58.27 12.86 22.19 35.42 112.21 -108.74 -71.94 134.58 84.89 15.10 0.01 85.26 0.42 0.01 0.00 0.00 0.00 14.05 0.25 12 P C T 50.40 14.11 15.94 30.55 92.56 -121.90 -62.29 -25.47 97.90 1.35 0.75 2.63 8.55 86.68 0.03 0.82 0.00 1.18 0.13 13 N C T 121.16 1.68 20.61 21.63 93.38 59.82 -86.23 3.19 99.01 0.35 0.65 3.43 8.40 87.11 0.03 0.73 0.00 0.24 0.05 14 I C C 29.41 18.86 8.00 25.72 118.27 113.87 -78.64 142.96 98.61 1.07 0.32 53.68 44.59 0.33 0.14 0.13 0.00 0.28 0.86 15 D C C 94.32 1.82 18.65 19.21 116.12 -104.07 -70.41 152.26 99.79 0.08 0.12 99.49 0.31 0.06 0.07 0.01 0.00 0.02 0.04 16 E H H 131.16 4.60 12.27 19.06 91.97 -111.48 -58.41 -38.44 2.28 0.00 97.72 0.31 0.29 1.41 97.35 0.62 0.00 0.00 0.00 17 E H H 142.71 0.93 17.23 16.46 92.15 51.87 -64.57 -39.88 1.44 0.00 98.56 0.15 0.12 1.03 97.88 0.83 0.00 0.00 0.00 18 A H H 37.03 8.10 15.33 25.10 92.19 48.68 -66.04 -40.00 0.82 0.00 99.18 0.16 0.07 0.47 98.48 0.81 0.00 0.00 0.00 19 K H H 43.12 17.76 14.10 31.37 91.50 51.75 -62.75 -42.61 0.48 0.00 99.51 0.12 0.04 0.22 99.46 0.16 0.00 0.00 0.00 20 T H H 72.63 4.23 21.50 25.89 91.82 50.16 -64.11 -41.02 0.43 0.00 99.57 0.08 0.02 0.21 99.62 0.06 0.00 0.00 0.00 21 A H H 48.41 3.20 22.52 25.21 91.49 50.45 -63.51 -41.97 0.42 0.00 99.58 0.05 0.02 0.26 99.61 0.06 0.00 0.00 0.00 22 L H H 13.89 18.92 18.86 37.90 91.67 49.66 -64.20 -43.07 0.40 0.00 99.60 0.04 0.02 0.26 99.63 0.05 0.00 0.00 0.00 23 V H H 17.88 19.46 19.51 38.56 91.37 50.12 -62.79 -42.92 0.19 0.00 99.81 0.02 0.01 0.12 99.84 0.02 0.00 0.00 0.00 24 E H H 112.72 2.60 24.80 26.64 91.29 50.64 -63.70 -41.55 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 25 R H H 99.64 7.60 23.36 31.13 91.71 49.77 -64.57 -42.03 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 26 F H H 4.49 25.49 18.40 43.96 91.64 49.33 -64.41 -42.77 0.12 0.00 99.88 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 27 D H H 42.25 14.71 20.85 35.16 91.37 52.00 -62.39 -41.14 0.18 0.00 99.82 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 28 T H H 72.49 2.32 24.85 25.51 91.75 50.62 -64.49 -41.70 0.32 0.00 99.68 0.02 0.01 0.21 99.73 0.03 0.00 0.00 0.00 29 I H H 23.72 13.96 20.28 35.08 91.67 49.54 -64.19 -43.42 0.39 0.00 99.61 0.02 0.02 0.26 99.64 0.05 0.00 0.00 0.00 30 L H H 3.88 25.43 14.20 39.97 91.61 49.42 -64.19 -42.44 0.86 0.01 99.13 0.11 0.06 0.56 99.05 0.21 0.00 0.00 0.00 31 K H H 123.40 5.63 19.18 26.08 91.94 50.18 -63.82 -40.45 1.83 0.01 98.16 0.21 0.10 1.41 97.63 0.64 0.00 0.01 0.00 32 D H H 113.41 1.57 19.99 20.88 90.82 53.98 -66.94 -24.75 11.42 0.02 88.55 0.23 0.31 11.59 87.13 0.70 0.02 0.01 0.01 33 N C T 48.61 14.12 14.60 29.20 94.88 49.51 -94.00 5.10 87.85 0.02 12.13 0.20 0.94 86.96 11.32 0.56 0.00 0.01 0.02 34 G C T 42.96 3.82 22.93 27.10 97.47 -99.98 89.25 10.42 99.91 0.01 0.08 0.63 1.08 98.24 0.02 0.02 0.00 0.01 0.00 35 A C C 6.73 24.32 9.77 33.48 121.33 139.68 -84.89 150.43 91.45 8.54 0.01 90.45 0.83 0.03 0.00 0.00 0.00 8.55 0.12 36 E E E 108.47 3.30 25.40 28.46 118.41 -141.21 -108.18 134.00 7.44 92.55 0.01 7.11 0.27 0.02 0.00 0.01 0.00 92.43 0.16 37 V E E 47.50 19.57 13.03 31.86 110.50 -126.60 -80.68 121.79 0.67 99.33 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.30 0.03 38 I E E 82.88 6.30 18.70 26.21 101.32 175.45 -95.59 -33.30 1.33 98.66 0.00 0.96 0.17 0.01 0.00 0.00 0.00 98.84 0.01 39 E E E 90.70 4.72 21.72 27.30 138.69 -0.94 -154.57 151.87 1.00 98.99 0.00 0.72 0.11 0.01 0.00 0.00 0.00 99.14 0.01 40 S E E 43.65 19.47 11.54 29.40 130.77 -171.40 -139.93 139.68 2.35 97.64 0.02 2.00 0.15 0.01 0.00 0.01 0.00 97.80 0.02 41 K E E 102.15 4.90 20.36 26.38 129.29 -174.67 -135.79 145.04 6.77 93.21 0.03 4.92 1.47 0.11 0.00 0.02 0.00 93.39 0.08 42 D E E 89.28 7.46 15.86 24.69 111.10 -115.59 -80.41 122.11 14.06 85.90 0.04 12.36 0.92 0.09 0.01 0.03 0.00 86.47 0.12 43 W E E 86.56 14.06 12.14 26.31 104.38 -173.49 -97.42 -3.47 24.87 74.39 0.75 17.16 4.95 2.91 0.11 0.61 0.00 73.98 0.29 44 E E E 105.63 4.24 19.43 23.65 123.07 -93.02 -99.73 164.51 18.12 81.35 0.52 6.77 8.14 3.00 0.08 0.41 0.00 81.33 0.25 45 K E E 123.61 7.50 14.52 23.46 114.56 -90.13 -82.80 132.61 12.65 86.50 0.85 10.19 1.62 0.39 0.30 0.37 0.00 86.96 0.15 46 R E E 88.52 10.94 12.95 25.04 126.66 -175.38 -125.91 143.07 3.95 95.84 0.21 3.57 0.26 0.09 0.10 0.07 0.00 95.75 0.16 47 R E E 156.92 3.02 17.05 21.32 114.86 -125.53 -87.30 131.85 4.28 95.63 0.10 4.01 0.21 0.05 0.06 0.03 0.00 95.39 0.26 48 L E E 46.55 16.23 8.49 23.97 114.10 -127.24 -81.22 135.50 37.27 62.57 0.16 35.35 1.10 0.15 0.05 0.07 0.00 62.82 0.46 49 A C E 78.96 2.68 15.42 18.84 95.82 -148.43 -77.08 -21.96 62.43 37.47 0.10 22.35 37.31 1.86 0.01 0.10 0.00 38.11 0.26 50 Y E E 117.80 4.04 15.21 20.49 133.16 34.46 -135.20 157.82 49.28 50.62 0.09 9.29 38.54 1.66 0.01 0.08 0.00 50.04 0.37 51 E E E 129.05 4.27 12.95 19.11 115.44 -109.74 -84.34 133.05 32.11 67.72 0.16 30.48 1.35 0.18 0.04 0.11 0.00 66.91 0.92 52 M E E 61.84 12.21 8.63 21.32 121.41 -170.83 -130.10 125.51 20.45 79.12 0.42 15.55 2.71 0.74 0.18 0.33 0.00 62.53 17.96 53 N C T 136.98 1.13 13.31 14.45 93.38 -16.12 52.55 41.99 97.54 1.43 1.03 1.02 6.78 89.81 0.03 1.11 0.00 1.06 0.19 54 G C T 61.39 1.24 13.89 15.03 95.41 -49.51 80.03 1.83 98.27 0.96 0.77 1.40 7.32 89.47 0.02 0.91 0.00 0.81 0.08 55 F E E 71.76 11.28 10.37 22.82 120.61 114.13 -103.23 137.13 17.75 82.15 0.10 15.28 1.86 0.27 0.02 0.09 0.00 79.60 2.87 56 R E E 118.41 7.66 16.81 25.63 110.18 -166.80 -109.09 15.94 12.20 87.79 0.02 10.33 1.16 0.11 0.00 0.01 0.00 88.17 0.22 57 E E E 77.89 9.67 20.37 30.50 127.56 29.66 -121.75 143.46 7.57 92.42 0.01 6.09 1.20 0.08 0.00 0.01 0.00 92.52 0.10 58 G E E 6.81 18.20 17.79 36.04 139.30 166.32 -148.02 173.04 3.69 96.31 0.00 3.03 0.43 0.02 0.00 0.00 0.00 96.49 0.03 59 I E E 25.19 15.08 22.18 38.14 124.84 -111.79 -120.25 139.54 0.86 99.14 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.17 0.01 60 Y E E 34.97 17.61 21.47 38.94 119.81 -152.06 -108.14 131.73 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 61 H E E 18.66 19.04 21.30 40.36 124.03 -167.93 -119.26 134.55 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 62 I E E 30.74 14.37 24.41 39.24 117.52 -157.62 -109.51 124.91 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 63 V E E 7.44 22.86 20.01 42.96 121.33 -167.72 -115.35 130.25 0.45 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 64 N E E 44.74 11.16 26.47 38.16 116.38 -157.23 -106.15 125.35 0.55 99.45 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 65 V E E 6.23 24.33 17.90 42.44 124.85 -171.79 -119.58 136.33 0.64 99.36 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.37 0.02 66 T E E 49.59 9.68 25.47 35.38 125.89 -170.12 -123.37 139.21 3.38 96.61 0.00 3.06 0.19 0.01 0.00 0.00 0.00 96.56 0.18 67 S C C 13.16 19.90 14.59 34.17 129.36 -165.30 -127.13 149.85 56.43 43.50 0.08 52.53 2.16 0.16 0.01 0.05 0.00 44.59 0.49 68 P C C 75.44 6.15 18.29 25.21 104.34 -118.47 -70.87 97.74 89.76 7.76 2.48 48.12 24.84 16.74 0.57 1.85 0.00 7.29 0.59 69 S C C 81.91 3.56 16.86 21.25 101.27 -34.53 -87.50 -4.40 92.58 1.25 6.17 35.69 33.15 24.25 2.22 3.49 0.00 0.65 0.56 70 T C C 71.92 7.17 15.33 23.37 112.48 60.83 -101.59 95.00 83.44 0.98 15.57 52.04 19.98 11.62 10.10 5.21 0.00 0.42 0.63 71 A H H 63.94 8.47 14.52 23.96 95.82 -156.69 -66.38 -27.59 46.35 0.41 53.24 17.05 9.70 20.22 47.51 5.09 0.02 0.17 0.24 72 G H H 40.26 3.95 19.81 23.80 93.83 55.02 -63.24 -33.63 37.36 0.39 62.24 13.63 6.78 17.61 57.58 3.98 0.03 0.18 0.21 73 A H H 13.73 16.36 16.49 33.39 93.05 59.70 -65.48 -39.96 15.14 0.29 84.57 9.39 2.43 4.29 80.80 2.84 0.01 0.15 0.09 74 I H H 20.61 20.31 16.83 36.65 91.87 52.83 -63.16 -42.07 4.27 0.11 95.63 2.30 0.66 1.52 94.08 1.35 0.00 0.06 0.02 75 N H H 89.82 3.21 24.02 26.74 91.60 51.01 -63.84 -40.65 2.66 0.06 97.28 1.24 0.35 1.11 96.24 1.01 0.00 0.03 0.01 76 E H H 77.99 6.98 22.50 29.88 91.65 50.19 -64.60 -41.48 2.02 0.03 97.95 0.72 0.23 1.01 97.22 0.78 0.00 0.02 0.01 77 F H H 5.13 25.27 16.46 41.99 91.40 50.17 -64.46 -42.72 1.47 0.02 98.51 0.45 0.17 0.75 98.04 0.57 0.00 0.01 0.00 78 D H H 53.44 14.23 20.34 33.90 91.31 52.38 -62.33 -41.19 1.78 0.02 98.19 0.48 0.16 0.99 97.59 0.76 0.00 0.01 0.00 79 R H H 142.25 1.91 24.16 24.59 91.90 50.32 -64.66 -40.79 3.31 0.03 96.66 0.50 0.25 2.38 95.33 1.51 0.01 0.01 0.00 80 L H H 39.21 13.44 19.54 33.35 92.29 49.65 -66.28 -38.81 5.26 0.05 94.69 0.59 0.44 4.07 92.77 2.08 0.01 0.02 0.01 81 A H H 7.09 23.13 13.37 36.33 92.49 55.63 -68.80 -28.76 24.10 0.31 75.60 3.45 2.12 18.14 72.39 3.56 0.05 0.15 0.14 82 K C T 126.94 5.43 19.80 26.27 92.82 65.58 -69.83 -20.90 58.22 0.94 40.84 9.33 4.30 42.80 38.12 4.52 0.04 0.49 0.40 83 I C T 96.59 6.37 17.35 24.47 96.44 63.67 -82.55 -13.12 69.68 2.64 27.68 23.24 20.32 26.12 24.18 3.70 0.07 1.11 1.26 84 N C C 50.32 13.67 12.11 26.04 124.94 60.27 -118.78 142.80 89.57 3.25 7.18 65.34 15.93 8.02 4.08 3.24 0.00 1.67 1.71 85 D C T 118.55 2.53 17.58 21.18 93.71 -137.83 -72.56 -14.84 93.46 1.15 5.39 6.52 25.61 61.66 1.03 4.08 0.00 0.71 0.38 86 D C T 60.04 11.84 16.79 29.04 94.56 63.75 -85.90 -5.22 91.10 4.39 4.50 12.57 17.92 60.48 0.55 4.11 0.00 3.92 0.45 87 I E E 17.44 22.41 12.83 35.13 113.17 97.30 -90.06 121.99 23.34 76.05 0.61 19.80 3.18 0.56 0.40 0.31 0.00 71.99 3.76 88 I E E 64.72 10.51 21.57 32.48 100.55 176.48 -91.46 -33.86 20.98 78.52 0.50 17.92 2.22 0.38 0.29 0.18 0.00 78.51 0.50 89 R E E 83.40 9.57 23.61 33.59 139.59 0.71 -152.33 148.21 15.48 83.74 0.77 13.54 1.17 0.40 0.38 0.28 0.00 83.97 0.27 90 H E E 44.44 22.20 15.17 36.11 128.21 -168.30 -133.48 136.61 15.32 83.89 0.78 13.25 1.28 0.37 0.33 0.28 0.00 84.29 0.20 91 M E E 64.30 9.39 23.99 33.96 125.68 -170.94 -124.99 136.60 11.06 88.55 0.40 9.87 0.56 0.19 0.16 0.13 0.00 88.96 0.13 92 I E E 45.72 18.99 16.16 34.52 120.12 -158.37 -111.19 128.00 6.06 93.82 0.12 5.83 0.16 0.05 0.06 0.03 0.00 93.75 0.11 93 V E E 51.42 9.65 19.81 30.64 123.94 -171.71 -120.81 135.55 4.40 95.55 0.05 4.26 0.13 0.03 0.03 0.01 0.00 95.40 0.15 94 K E E 107.03 9.41 15.52 26.03 115.26 -136.15 -92.54 129.23 10.42 89.53 0.05 9.98 0.29 0.04 0.02 0.02 0.00 89.40 0.25 95 V C C 59.37 10.92 11.07 23.08 118.76 -161.24 -106.62 136.08 58.90 41.02 0.08 58.31 0.38 0.08 0.03 0.03 0.00 40.76 0.41 96 E C C 145.90 2.09 15.71 18.57 111.22 -117.69 -78.78 128.90 99.62 0.38 0.00 99.63 0.05 0.01 0.00 0.00 0.00 0.30 0.01