# 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 E C C 125.21 4.14 16.57 21.89 114.05 -139.92 -93.21 126.95 99.88 0.09 0.03 99.79 0.09 0.04 0.01 0.00 0.00 0.05 0.01 1 L C C 83.97 10.85 11.44 22.77 112.25 -130.08 -81.91 127.08 82.38 2.50 15.12 75.56 1.56 7.83 4.25 8.32 0.00 1.75 0.73 2 L C C 82.62 9.81 12.80 23.34 110.00 -158.27 -92.57 108.91 74.35 6.34 19.31 48.75 12.12 13.87 4.62 14.64 0.01 4.56 1.42 3 D C C 88.78 6.47 17.33 24.62 103.52 -140.31 -84.77 75.07 67.72 11.48 20.80 45.59 13.81 9.30 5.24 15.01 0.01 9.51 1.52 4 V C C 38.46 16.34 15.48 31.58 103.74 122.36 -91.03 -11.67 53.58 31.85 14.57 34.87 13.44 6.49 6.55 7.45 0.09 28.15 2.95 5 I E E 34.97 18.58 14.10 32.72 112.39 84.06 -94.16 119.23 35.36 58.52 6.12 28.11 4.46 1.98 4.50 2.21 0.03 45.34 13.38 6 K C C 109.20 8.07 19.15 27.81 101.24 -175.12 -92.61 -26.02 55.10 42.94 1.96 40.51 12.71 1.96 1.19 0.90 0.01 40.23 2.49 7 R C C 126.64 5.84 21.14 27.77 128.09 7.87 -138.10 134.99 65.58 34.22 0.20 34.12 31.06 0.84 0.05 0.14 0.00 32.82 0.97 8 P C C 45.03 17.56 15.54 32.45 115.15 -108.19 -67.87 146.69 73.99 25.67 0.34 69.50 3.03 0.56 0.11 0.22 0.00 25.22 1.36 9 V C C 47.19 13.19 19.82 33.30 109.33 -135.39 -94.48 109.32 65.31 34.16 0.53 55.42 9.17 0.98 0.28 0.32 0.00 21.41 12.43 10 I C C 51.67 17.17 14.74 31.49 121.13 -157.22 -113.32 128.93 84.35 15.32 0.33 76.03 8.46 0.47 0.18 0.16 0.00 10.89 3.80 11 T C C 48.59 7.32 16.47 25.19 129.47 -153.67 -115.77 173.33 95.40 3.78 0.82 85.63 9.76 0.42 0.80 0.14 0.00 2.07 1.18 12 E H H 144.77 1.90 16.28 18.66 90.78 -96.94 -58.97 -37.36 10.26 0.16 89.58 2.43 2.74 5.92 86.31 2.40 0.05 0.07 0.08 13 K H H 121.07 3.76 17.62 22.08 91.81 52.53 -65.54 -38.53 8.97 0.17 90.86 2.04 1.36 5.91 87.29 3.17 0.06 0.10 0.07 14 S H H 11.46 18.79 12.09 30.83 92.25 50.89 -66.32 -39.09 6.13 0.27 93.61 2.81 0.97 2.76 89.21 3.98 0.02 0.19 0.06 15 M H H 80.87 7.01 17.69 25.69 91.95 53.09 -63.79 -41.29 3.93 0.23 95.85 2.03 0.61 1.57 93.02 2.56 0.01 0.16 0.04 16 L H H 91.18 2.00 19.73 20.50 92.12 51.02 -64.88 -40.72 5.46 0.53 94.02 2.29 0.83 2.79 91.03 2.52 0.03 0.40 0.11 17 A H H 20.08 11.52 13.60 26.88 92.27 50.97 -65.62 -39.68 7.49 0.82 91.69 3.29 1.10 3.71 88.30 2.74 0.04 0.64 0.17 18 M H H 65.37 13.59 12.49 26.13 92.90 53.15 -65.46 -39.93 9.79 0.44 89.77 3.51 1.25 5.39 85.33 4.03 0.03 0.35 0.11 19 D H H 115.92 1.42 16.20 17.11 91.94 53.50 -67.51 -28.34 18.59 0.46 80.95 2.87 1.93 14.33 76.76 3.53 0.12 0.26 0.20 20 E C T 123.18 2.55 15.00 17.97 95.33 48.80 -89.93 1.16 82.00 0.11 17.89 1.58 4.46 75.68 15.79 2.34 0.00 0.04 0.10 21 K C T 128.87 7.01 15.35 23.64 95.36 -113.92 61.66 32.92 98.98 0.10 0.92 3.97 4.51 90.76 0.41 0.27 0.00 0.06 0.03 22 K C C 77.69 11.06 17.17 28.85 125.02 136.15 -109.09 143.65 74.08 25.82 0.10 64.82 7.79 0.41 0.02 0.07 0.00 25.95 0.94 23 Y E E 39.83 17.61 18.78 36.24 118.68 -130.60 -99.75 136.29 22.78 77.19 0.03 21.61 0.71 0.06 0.01 0.02 0.00 77.28 0.32 24 T E E 27.06 15.84 22.56 38.41 128.41 -168.95 -124.62 142.24 4.15 95.85 0.00 4.06 0.08 0.00 0.00 0.00 0.00 95.78 0.07 25 F E E 13.35 22.03 20.02 41.76 130.21 -173.41 -131.33 143.87 0.47 99.53 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.56 0.01 26 E E E 72.28 10.70 26.14 37.18 116.64 -139.35 -101.54 127.77 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.01 27 V E E 7.69 23.97 15.46 39.53 131.47 -173.80 -129.04 149.33 2.38 97.62 0.00 2.44 0.03 0.00 0.00 0.00 0.00 97.37 0.15 28 D C C 52.70 8.24 22.57 31.58 109.93 -106.89 -72.37 130.42 50.85 49.12 0.03 50.84 0.49 0.03 0.00 0.02 0.00 48.20 0.41 29 T C T 58.08 14.96 15.37 30.43 91.62 -136.64 -65.50 -20.65 98.36 0.87 0.76 0.74 4.77 93.05 0.02 0.74 0.00 0.59 0.09 30 R C T 166.44 1.93 21.32 22.83 93.35 60.44 -87.95 -2.72 98.95 0.39 0.65 0.81 4.01 94.19 0.02 0.67 0.00 0.26 0.04 31 A C C 11.15 20.89 9.67 30.31 116.43 120.35 -69.10 142.12 98.66 1.10 0.24 70.43 28.06 0.31 0.08 0.14 0.00 0.43 0.55 32 N C C 78.33 3.50 24.13 26.63 125.73 -140.14 -96.42 166.44 93.84 5.96 0.20 93.13 0.71 0.05 0.13 0.02 0.00 0.79 5.16 33 K H H 91.16 15.22 14.51 29.21 91.07 -102.91 -58.62 -37.79 1.87 0.00 98.13 0.23 0.27 1.10 98.25 0.14 0.00 0.00 0.00 34 T H H 87.46 2.14 22.19 23.30 91.63 52.91 -64.34 -40.69 0.94 0.00 99.06 0.08 0.08 0.65 99.08 0.11 0.00 0.00 0.00 35 L H H 54.03 9.34 20.42 30.61 91.96 49.40 -65.32 -41.10 0.23 0.00 99.77 0.04 0.01 0.13 99.75 0.07 0.00 0.00 0.00 36 V H H 1.73 26.87 15.41 43.11 91.12 49.50 -63.51 -43.59 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 37 K H H 77.00 14.15 21.90 35.04 91.34 51.17 -62.10 -42.29 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 38 Q H H 103.90 2.41 26.37 27.63 91.76 49.40 -64.64 -41.61 0.07 0.00 99.93 0.00 0.00 0.05 99.95 0.00 0.00 0.00 0.00 39 A H H 10.58 15.60 21.07 37.41 91.73 50.18 -64.26 -42.86 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 40 V H H 1.93 26.66 17.15 44.40 91.64 48.54 -64.44 -43.36 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 41 E H H 79.12 10.83 19.96 30.85 91.81 51.09 -63.35 -41.47 0.08 0.00 99.92 0.00 0.00 0.06 99.90 0.04 0.00 0.00 0.00 42 S H H 74.15 2.55 22.44 24.42 92.49 49.27 -66.73 -38.83 0.28 0.00 99.72 0.01 0.01 0.26 99.64 0.08 0.00 0.00 0.00 43 A H H 26.63 15.96 17.24 32.84 95.99 42.14 -77.73 -37.38 1.38 0.00 98.62 0.02 0.04 1.33 98.52 0.09 0.00 0.00 0.00 44 F H H 26.84 19.61 14.66 34.05 106.59 25.06 -113.66 3.16 14.28 0.05 85.67 0.87 2.05 10.85 85.90 0.26 0.03 0.01 0.04 45 D C T 116.06 2.03 21.60 23.35 95.04 -124.12 55.84 44.85 99.71 0.11 0.18 25.31 11.59 62.86 0.07 0.08 0.00 0.07 0.03 46 V C C 18.94 19.92 11.36 31.16 129.80 133.38 -122.67 150.45 95.53 4.43 0.04 77.79 17.52 0.28 0.01 0.03 0.00 4.06 0.31 47 K C C 126.65 2.97 24.38 27.01 113.35 -126.35 -89.91 128.12 84.32 15.67 0.02 83.66 0.90 0.05 0.00 0.01 0.00 15.12 0.25 48 V E E 23.35 22.94 10.74 32.91 111.95 -139.80 -85.73 123.69 16.52 83.46 0.02 17.50 0.19 0.01 0.00 0.01 0.00 81.41 0.86 49 A E E 59.74 4.48 20.93 25.92 98.33 -175.18 -86.40 -36.49 15.84 84.14 0.02 8.80 6.94 0.16 0.00 0.02 0.00 84.01 0.08 50 N E E 76.21 4.48 23.28 28.50 139.27 -1.75 -155.26 149.89 2.16 97.84 0.00 1.62 0.25 0.02 0.00 0.00 0.00 98.10 0.02 51 V E E 34.25 22.59 11.62 32.96 125.36 -165.04 -131.95 131.72 0.84 99.16 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.21 0.01 52 N E E 71.83 5.39 23.92 29.50 124.52 -173.08 -124.01 139.27 1.12 98.88 0.00 0.94 0.04 0.00 0.00 0.00 0.00 99.00 0.01 53 I E E 57.55 18.15 13.37 30.84 122.19 -157.32 -117.64 130.77 1.60 98.40 0.00 1.51 0.03 0.00 0.00 0.00 0.00 98.43 0.02 54 L E E 68.97 7.56 18.13 27.02 123.28 -171.08 -118.46 138.05 1.70 98.30 0.00 1.54 0.06 0.00 0.00 0.00 0.00 98.32 0.08 55 N E E 84.44 9.01 14.78 25.09 116.66 -146.73 -103.64 126.11 4.67 95.33 0.00 3.94 0.45 0.02 0.00 0.00 0.00 95.41 0.17 56 V E E 55.01 10.22 12.67 24.53 121.12 -169.61 -114.45 135.81 25.69 74.28 0.03 23.48 1.38 0.08 0.01 0.02 0.00 73.72 1.30 57 R C C 163.81 2.39 16.09 19.44 114.87 -126.36 -86.73 132.66 66.46 33.49 0.05 60.51 3.29 0.24 0.01 0.04 0.00 35.49 0.42 58 P C C 58.58 12.82 8.71 21.58 115.66 -109.87 -69.00 148.59 70.09 29.78 0.13 61.53 5.79 0.69 0.02 0.12 0.00 31.29 0.56 59 K E E 132.91 2.68 14.53 18.29 120.95 -142.59 -109.47 142.90 28.86 70.99 0.15 25.97 2.33 0.32 0.04 0.10 0.00 70.04 1.19 60 F E E 133.10 5.45 9.64 17.15 116.93 -123.66 -92.47 134.72 15.02 84.90 0.08 13.90 0.82 0.13 0.02 0.04 0.00 84.54 0.55 61 K E E 114.14 4.19 10.35 16.69 123.47 -170.89 -120.66 142.55 7.04 92.88 0.08 6.16 0.64 0.14 0.02 0.04 0.00 92.71 0.28 62 R E E 167.51 2.23 8.47 12.78 116.13 -133.28 -96.20 129.02 10.00 89.91 0.09 8.44 0.98 0.21 0.02 0.05 0.00 89.82 0.47 63 M E E 124.04 2.49 7.62 12.05 114.93 -176.29 -123.73 110.18 27.95 71.70 0.35 22.25 4.18 1.42 0.09 0.27 0.00 70.90 0.90 64 G C T 65.87 0.34 10.30 9.24 109.77 -51.06 65.15 -131.76 97.70 1.62 0.68 13.41 22.56 61.65 0.07 0.70 0.00 1.42 0.19 65 K C T 184.45 0.34 9.23 8.50 97.02 -20.09 -88.08 -4.44 97.63 1.60 0.77 12.77 23.39 61.32 0.07 0.83 0.00 1.43 0.18 66 Y E E 145.20 2.77 8.46 13.24 121.81 78.42 -109.33 140.77 25.02 74.72 0.27 17.83 6.94 1.91 0.06 0.24 0.00 71.29 1.71 67 A E E 72.07 4.32 9.30 15.92 123.04 -161.39 -113.50 143.48 15.13 84.78 0.08 12.56 1.71 0.37 0.02 0.06 0.00 84.71 0.58 68 G E E 31.37 4.58 13.78 20.04 137.58 144.55 -165.25 -175.42 12.24 87.70 0.06 9.45 2.27 0.44 0.01 0.05 0.00 87.45 0.34 69 Y E E 135.77 5.95 12.25 20.10 123.21 -91.04 -111.44 143.04 12.71 87.24 0.05 11.32 0.90 0.13 0.02 0.04 0.00 84.58 3.02 70 T C C 52.20 9.92 10.95 22.26 122.81 -158.10 -109.65 149.54 57.77 42.12 0.11 53.66 2.54 0.27 0.03 0.08 0.00 42.54 0.88 71 K C C 137.89 3.60 15.98 20.74 111.41 -110.41 -79.87 129.19 74.87 25.03 0.10 58.56 13.38 0.92 0.01 0.11 0.00 26.58 0.44 72 K C C 95.68 10.21 13.30 24.23 117.22 -138.61 -92.78 137.09 69.92 29.99 0.09 58.51 8.45 0.76 0.01 0.11 0.00 31.64 0.53 73 R E E 93.07 10.73 16.22 27.71 127.18 -169.34 -121.94 146.51 14.85 85.12 0.02 13.41 0.97 0.06 0.01 0.01 0.00 84.80 0.73 74 R E E 62.27 14.25 17.20 31.94 124.00 -150.44 -117.03 139.17 2.99 97.01 0.00 2.72 0.14 0.01 0.00 0.00 0.00 97.02 0.11 75 K E E 62.27 12.68 21.32 34.25 126.34 -160.44 -117.31 142.21 2.23 97.77 0.00 1.94 0.12 0.00 0.00 0.00 0.00 97.90 0.04 76 A E E 9.62 21.20 17.54 39.37 123.16 -152.14 -113.69 137.25 1.46 98.54 0.00 1.38 0.03 0.00 0.00 0.00 0.00 98.56 0.02 77 I E E 42.63 10.93 24.68 36.64 117.35 -155.37 -108.85 125.49 0.63 99.37 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.39 0.02 78 V E E 10.60 23.10 17.86 41.59 121.17 -167.13 -115.12 131.21 0.71 99.29 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.31 0.01 79 T E E 45.84 9.27 25.71 35.75 122.59 -165.58 -114.77 137.54 2.46 97.54 0.00 2.37 0.07 0.00 0.00 0.00 0.00 97.46 0.10 80 L E E 18.48 21.39 14.31 35.73 117.80 -137.71 -90.12 136.75 23.63 76.29 0.09 22.32 1.08 0.12 0.03 0.06 0.00 75.25 1.14 81 T C C 47.65 7.95 17.78 26.99 118.98 -128.67 -83.62 159.85 79.69 19.11 1.20 70.41 6.92 1.49 0.30 0.85 0.00 18.79 1.24 82 E C T 133.61 4.28 15.24 20.94 96.76 -100.93 -64.29 -29.40 77.19 3.08 19.73 22.96 20.84 34.98 4.88 13.36 0.02 1.99 0.97 83 D C T 104.61 2.72 15.67 18.91 96.88 56.08 -80.79 0.51 78.46 1.70 19.83 30.45 13.95 34.90 5.25 13.75 0.01 0.95 0.74 84 S C C 32.51 15.49 9.63 24.57 104.47 95.20 -81.34 43.34 70.47 3.25 26.29 50.00 10.48 10.22 6.53 19.76 0.00 2.00 1.01 85 K C C 123.41 6.17 14.57 21.85 102.09 106.96 -84.18 5.71 70.33 6.69 22.98 47.76 13.15 10.00 7.57 15.23 0.01 4.59 1.69 86 E C C 117.61 4.94 14.28 20.58 109.43 100.69 -87.37 113.30 67.39 12.79 19.83 51.72 7.85 7.90 7.40 12.34 0.01 9.74 3.04 87 I C C 64.35 14.25 8.93 22.56 109.50 -147.55 -90.59 110.07 87.21 7.48 5.31 84.08 1.37 2.69 2.87 1.69 0.00 5.34 1.96 88 Q C C 129.94 3.08 15.44 19.72 109.92 -145.54 -85.85 118.67 99.78 0.17 0.05 99.70 0.09 0.06 0.02 0.00 0.00 0.11 0.01