# 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 90.33 8.60 13.07 22.72 115.02 -150.74 -92.85 130.63 99.87 0.11 0.02 99.85 0.06 0.02 0.01 0.00 0.00 0.04 0.02 1 L C C 89.93 5.28 13.78 20.29 110.67 -131.00 -78.77 138.42 78.33 1.86 19.81 75.29 0.79 2.42 19.13 0.79 0.00 0.64 0.93 2 F H H 92.17 10.67 12.26 23.53 95.11 -118.18 -63.82 -37.51 27.21 0.53 72.27 12.13 4.61 11.85 67.83 3.05 0.04 0.22 0.29 3 Y H H 101.90 9.26 13.58 23.76 93.65 54.24 -67.02 -35.81 13.76 0.18 86.05 5.10 2.15 7.08 81.27 4.19 0.03 0.08 0.11 4 S H H 54.37 3.65 16.04 20.56 92.87 54.68 -65.60 -39.16 5.11 0.08 94.81 2.21 0.71 2.38 89.17 5.44 0.01 0.04 0.03 5 F H H 68.69 9.41 16.08 26.77 92.65 52.40 -65.56 -41.33 2.79 0.04 97.17 0.89 0.31 1.55 92.85 4.36 0.00 0.02 0.01 6 F H H 32.88 19.56 13.90 32.93 92.51 52.38 -65.05 -39.90 2.33 0.02 97.65 0.56 0.22 1.43 93.52 4.25 0.00 0.01 0.01 7 K H H 115.42 6.69 18.47 26.33 91.44 55.35 -63.43 -34.51 4.12 0.02 95.87 0.43 0.25 3.13 89.14 7.02 0.01 0.01 0.01 8 S H H 67.53 4.07 20.71 25.08 91.56 57.80 -70.53 -22.78 17.61 0.02 82.37 0.38 0.49 17.24 76.24 5.61 0.02 0.01 0.01 9 L C T 18.86 19.49 14.47 34.20 95.77 51.03 -93.92 -9.79 51.49 0.19 48.32 2.11 1.90 46.77 43.41 5.57 0.02 0.09 0.12 10 V C T 54.66 14.55 13.94 29.03 112.55 117.28 -62.63 132.67 96.79 1.55 1.65 1.15 1.75 94.75 0.59 0.46 0.00 0.67 0.63 11 G C T 49.33 3.65 20.64 24.91 94.10 18.57 83.61 -3.48 99.17 0.59 0.24 0.50 2.62 96.20 0.03 0.12 0.00 0.51 0.02 12 K C S 89.99 7.92 18.66 27.82 126.50 113.36 -102.43 151.55 97.07 2.86 0.06 47.45 49.28 0.38 0.01 0.04 0.00 2.70 0.14 13 D E E 80.56 8.00 21.10 29.69 113.09 -109.84 -78.54 132.13 9.79 90.19 0.02 9.69 0.35 0.03 0.01 0.01 0.00 88.44 1.46 14 V E E 6.57 23.38 15.33 39.01 132.52 -173.17 -133.49 151.02 2.29 97.71 0.00 2.22 0.04 0.00 0.00 0.00 0.00 97.71 0.02 15 V E E 36.12 10.22 25.66 37.11 116.73 -137.91 -104.81 128.07 0.32 99.68 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 16 V E E 4.27 24.81 18.30 43.81 119.70 -164.48 -114.09 127.83 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 17 E E E 61.48 9.00 24.64 34.35 114.61 -155.79 -104.25 120.76 0.68 99.32 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.36 0.01 18 L E E 15.66 19.78 12.95 32.71 124.25 -159.75 -94.09 164.96 22.83 77.00 0.16 21.33 0.81 0.15 0.03 0.10 0.00 77.27 0.32 19 K C T 121.17 6.10 17.10 24.01 96.82 -97.24 -63.89 -25.84 74.66 9.87 15.47 3.62 9.10 61.92 0.42 15.83 0.00 8.42 0.69 20 N C T 96.08 4.88 15.61 21.59 95.57 48.12 -85.77 12.03 86.94 0.42 12.65 1.60 7.54 75.69 0.25 14.53 0.00 0.26 0.12 21 D C T 101.33 4.75 17.54 23.43 93.53 -101.41 69.34 20.41 88.45 1.22 10.33 6.53 29.79 50.36 0.23 12.01 0.00 0.80 0.28 22 L E E 33.88 14.45 15.21 30.74 118.25 141.38 -87.34 139.64 37.62 62.31 0.07 33.81 1.57 0.34 0.01 0.05 0.00 63.82 0.40 23 S E E 27.96 13.32 22.00 35.83 126.97 -163.92 -121.11 142.58 1.53 98.46 0.00 1.29 0.08 0.01 0.00 0.00 0.00 98.61 0.02 24 I E E 7.68 23.13 20.02 43.38 124.83 -166.17 -123.12 135.01 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 25 C E E 33.47 13.10 25.75 38.94 126.95 -170.74 -122.83 141.95 0.30 99.70 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 26 G E E 6.90 14.21 23.20 38.82 144.42 96.88 171.23 -173.05 0.98 99.01 0.00 0.76 0.07 0.00 0.00 0.00 0.00 99.17 0.00 27 T E E 41.27 10.35 26.25 37.66 122.25 -64.30 -111.79 139.28 1.21 98.79 0.00 1.07 0.04 0.00 0.00 0.00 0.00 98.86 0.03 28 L E E 7.59 24.58 15.41 40.86 109.90 -116.74 -74.94 124.98 1.59 98.41 0.00 1.53 0.03 0.00 0.00 0.00 0.00 98.41 0.03 29 H E E 87.45 7.26 23.70 31.60 100.85 175.75 -97.18 -30.16 2.94 97.05 0.01 2.02 0.59 0.04 0.00 0.01 0.00 97.32 0.02 30 S E E 41.80 6.38 25.25 32.55 142.74 -5.59 -161.43 157.50 1.22 98.77 0.01 0.86 0.20 0.02 0.00 0.00 0.00 98.89 0.01 31 V E E 32.38 22.15 11.99 32.95 130.29 -162.66 -138.69 140.32 2.21 97.78 0.02 2.05 0.17 0.02 0.01 0.01 0.00 97.11 0.64 32 D C C 57.02 6.04 19.17 25.88 127.20 -149.47 -98.46 174.39 90.10 9.85 0.05 89.70 0.48 0.12 0.01 0.02 0.00 9.28 0.40 33 Q C T 131.03 4.47 15.91 21.94 91.61 -90.71 -65.15 -21.67 99.36 0.10 0.54 0.33 5.01 94.02 0.02 0.53 0.00 0.06 0.03 34 Y C T 131.86 4.92 18.11 23.66 95.06 52.72 -90.50 2.36 99.42 0.05 0.52 0.50 5.53 93.37 0.02 0.53 0.00 0.03 0.02 35 L C C 30.79 17.98 15.57 33.40 94.50 -110.58 68.51 26.29 97.87 1.47 0.65 48.69 42.44 6.78 0.11 0.59 0.00 0.90 0.50 36 N C C 37.97 10.80 22.39 34.27 115.01 152.36 -81.01 137.33 93.06 6.89 0.05 88.93 3.43 0.57 0.01 0.03 0.00 6.34 0.68 37 I E E 6.89 24.62 17.50 42.53 119.50 -151.67 -109.66 129.60 1.58 98.42 0.00 1.58 0.04 0.00 0.00 0.00 0.00 98.22 0.16 38 K E E 61.53 10.14 27.19 37.90 120.02 -165.19 -113.39 129.79 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.01 39 L E E 8.06 24.38 16.21 41.02 119.32 -159.21 -110.20 127.61 0.33 99.67 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.65 0.01 40 T E E 50.53 7.66 22.91 31.13 131.07 -176.78 -125.63 158.23 3.58 96.42 0.01 2.35 0.85 0.06 0.00 0.01 0.00 96.72 0.02 41 D E E 96.78 3.43 23.46 27.05 93.42 10.87 59.07 48.55 4.59 95.40 0.01 2.84 1.26 0.09 0.00 0.01 0.00 95.79 0.01 42 I E E 17.19 23.61 11.47 34.50 117.29 -170.89 -85.55 133.36 3.18 96.82 0.00 3.06 0.08 0.00 0.00 0.00 0.00 96.83 0.03 43 S E E 44.55 6.82 25.14 32.38 127.87 -175.19 -128.91 145.36 1.05 98.94 0.01 0.93 0.04 0.00 0.00 0.00 0.00 98.96 0.07 44 V E E 32.60 18.45 14.71 32.96 118.74 -154.51 -108.32 126.37 7.09 92.88 0.03 6.42 0.46 0.04 0.01 0.01 0.00 92.75 0.31 45 T C C 62.52 7.36 17.39 25.89 108.21 -168.23 -99.83 46.85 63.73 36.11 0.16 48.76 13.69 0.65 0.04 0.12 0.00 35.79 0.94 46 D C C 69.19 5.76 14.79 21.90 106.52 36.52 -111.32 95.84 94.31 5.58 0.12 84.46 9.38 0.55 0.03 0.09 0.00 4.69 0.79 47 P C T 72.31 9.72 9.94 20.93 93.98 -167.01 -63.37 -27.64 91.71 0.52 7.78 5.44 10.03 75.33 0.69 7.94 0.00 0.29 0.28 48 E C T 156.47 0.83 13.85 13.77 93.69 58.18 -70.80 -31.35 91.66 0.22 8.12 1.87 8.07 81.13 0.67 7.99 0.00 0.12 0.16 49 K C T 130.79 2.76 13.02 16.58 97.64 41.18 -84.87 -28.76 89.78 0.98 9.24 5.10 15.24 68.72 0.98 8.89 0.01 0.57 0.50 50 Y C C 68.59 12.03 9.02 21.50 109.20 29.23 -126.97 74.21 92.68 4.74 2.59 62.98 26.21 3.39 0.83 1.87 0.00 2.45 2.27 51 P C T 83.76 4.69 13.61 20.17 94.38 164.55 -65.15 -26.22 73.50 1.64 24.86 10.03 7.51 54.73 2.22 23.88 0.00 1.17 0.46 52 H C T 119.46 4.86 15.06 20.99 96.61 60.32 -81.91 -9.29 68.69 3.61 27.70 7.90 8.70 51.49 2.97 25.32 0.02 2.78 0.83 53 M C C 64.60 13.93 12.72 26.55 103.42 77.56 -79.54 48.25 54.20 16.60 29.20 35.11 9.72 10.85 3.61 24.98 0.01 13.65 2.07 54 L C C 74.78 11.78 15.23 27.19 104.04 109.07 -86.28 18.32 57.45 33.10 9.46 42.10 9.41 6.30 2.57 7.09 0.01 28.84 3.70 55 S C E 67.03 6.06 18.58 25.26 108.15 67.93 -100.07 25.96 50.20 43.42 6.38 33.54 11.64 6.43 1.13 5.53 0.01 38.78 2.94 56 V E E 41.32 16.64 12.23 28.63 118.20 108.49 -108.17 129.72 42.07 57.00 0.94 37.11 3.58 0.76 0.30 0.66 0.00 55.98 1.62 57 K E E 126.26 4.51 19.66 24.94 101.34 -164.97 -83.28 -33.07 49.75 49.96 0.29 15.96 30.30 2.32 0.03 0.22 0.00 50.86 0.31 58 N E E 81.17 8.15 19.49 28.27 127.02 6.59 -139.78 132.57 12.70 87.04 0.26 7.34 4.19 1.14 0.03 0.19 0.00 86.94 0.16 59 C E E 19.74 19.96 15.38 35.16 128.52 -173.69 -133.63 139.74 2.00 97.98 0.02 1.80 0.12 0.01 0.00 0.01 0.00 97.98 0.09 60 F E E 91.04 9.47 24.23 33.88 118.45 -146.14 -109.15 127.52 0.30 99.70 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.65 0.04 61 I E E 13.09 23.03 15.82 38.88 123.43 -171.22 -120.14 133.00 2.20 97.80 0.00 2.20 0.05 0.00 0.00 0.00 0.00 97.61 0.13 62 R C C 110.05 6.14 23.55 29.74 114.13 -121.54 -75.89 136.86 53.68 46.07 0.25 50.83 1.68 0.20 0.04 0.19 0.00 46.59 0.48 63 G H G 21.79 17.97 13.86 31.10 93.15 -122.77 -59.28 -35.85 26.00 1.28 72.72 1.85 4.37 17.21 0.51 75.03 0.00 0.89 0.13 64 S H G 77.53 3.51 21.37 25.46 91.31 64.11 -71.13 -16.52 24.17 0.73 75.10 1.20 3.06 16.97 0.47 77.72 0.00 0.50 0.08 65 V H G 48.73 12.57 17.69 30.81 96.14 56.84 -92.05 -10.69 22.77 2.71 74.52 3.50 3.53 14.16 0.76 75.38 0.00 2.50 0.18 66 V E E 12.80 23.89 11.54 35.11 113.26 93.98 -86.83 121.33 11.58 88.32 0.11 10.98 0.68 0.08 0.04 0.06 0.00 87.57 0.59 67 R E E 119.44 5.50 21.65 28.05 100.99 176.58 -96.83 -33.60 7.21 92.76 0.03 5.16 1.74 0.09 0.00 0.02 0.00 92.92 0.06 68 Y E E 96.65 7.84 22.51 31.17 139.14 1.38 -155.15 149.01 0.90 99.08 0.02 0.74 0.08 0.02 0.00 0.01 0.00 99.14 0.02 69 V E E 30.86 21.46 15.38 36.06 125.56 -163.25 -130.71 130.22 0.62 99.37 0.01 0.60 0.02 0.00 0.00 0.00 0.00 99.32 0.04 70 Q E E 82.69 8.48 23.18 32.11 121.74 -168.73 -120.65 128.50 5.59 94.40 0.01 5.25 0.21 0.01 0.00 0.00 0.00 94.33 0.20 71 L C C 31.09 18.63 13.74 32.05 124.74 -165.30 -114.22 138.71 71.77 28.22 0.00 68.76 1.94 0.02 0.00 0.00 0.00 29.13 0.15 72 P C C 49.48 5.76 18.54 25.72 112.62 -107.70 -65.65 144.12 91.89 7.98 0.13 91.28 1.07 0.16 0.03 0.06 0.00 6.80 0.60 73 A H G 58.52 11.28 11.39 23.27 92.47 -120.15 -59.45 -34.02 33.77 0.27 65.96 2.75 3.94 24.78 2.38 65.92 0.00 0.16 0.08 74 D H G 129.79 0.62 16.47 15.16 91.97 60.53 -72.11 -13.88 34.15 0.12 65.73 1.16 2.60 27.86 2.00 66.29 0.00 0.07 0.03 75 E H G 108.45 6.06 14.65 21.88 98.06 51.58 -97.21 -2.49 32.03 0.31 67.66 3.19 4.47 22.41 2.63 67.02 0.00 0.17 0.10 76 V C S 26.62 20.23 8.85 27.61 121.71 87.80 -103.72 136.31 93.82 2.32 3.87 41.75 50.62 1.43 2.81 0.73 0.00 0.47 2.19 77 D C C 70.67 5.85 17.66 24.76 106.81 -133.59 -89.84 106.62 97.45 0.84 1.71 96.03 1.12 0.59 1.36 0.17 0.00 0.27 0.45 78 T H H 68.57 9.67 13.92 24.80 94.91 -173.42 -67.68 -34.08 4.80 0.02 95.18 2.25 0.72 1.61 94.95 0.45 0.00 0.00 0.01 79 Q H H 121.61 1.62 18.93 19.65 91.66 55.69 -63.72 -40.81 1.18 0.00 98.81 0.24 0.11 0.67 98.62 0.36 0.00 0.00 0.00 80 L H H 54.59 8.82 16.78 26.90 92.06 49.32 -65.18 -41.27 0.49 0.00 99.51 0.12 0.03 0.25 99.25 0.35 0.00 0.00 0.00 81 L H H 28.74 16.74 14.58 31.46 91.95 50.50 -64.01 -42.21 0.21 0.00 99.79 0.05 0.01 0.10 99.74 0.10 0.00 0.00 0.00 82 Q H H 92.42 4.20 20.22 24.72 91.55 50.32 -63.82 -41.50 0.21 0.00 99.79 0.04 0.01 0.10 99.82 0.03 0.00 0.00 0.00 83 D H H 76.39 2.74 21.22 23.16 91.69 49.40 -64.41 -41.61 0.26 0.00 99.74 0.04 0.01 0.13 99.80 0.02 0.00 0.00 0.00 84 A H H 17.92 11.84 16.73 30.34 91.69 50.93 -63.96 -41.92 0.29 0.00 99.71 0.04 0.01 0.15 99.77 0.03 0.00 0.00 0.00 85 A H H 31.32 9.85 17.51 28.78 91.80 50.88 -63.83 -41.34 0.41 0.00 99.59 0.06 0.02 0.21 99.67 0.03 0.00 0.00 0.00 86 R H H 135.43 2.25 20.15 21.72 91.83 50.15 -64.23 -41.32 0.56 0.00 99.44 0.10 0.03 0.28 99.53 0.05 0.00 0.00 0.00 87 K H H 102.73 3.66 18.21 22.22 92.08 49.56 -65.11 -41.09 0.75 0.00 99.25 0.15 0.04 0.39 99.34 0.07 0.00 0.00 0.00 88 E H H 67.83 7.51 14.85 24.02 92.20 50.33 -65.07 -40.70 1.28 0.00 98.71 0.26 0.09 0.69 98.82 0.13 0.00 0.00 0.00 89 A H H 50.03 3.94 14.32 19.62 91.82 50.92 -64.32 -39.77 3.48 0.01 96.50 0.69 0.26 2.10 96.58 0.36 0.00 0.00 0.00 90 L H H 101.07 1.85 13.62 15.63 92.45 50.74 -66.49 -37.50 8.57 0.04 91.40 1.71 0.81 5.43 91.31 0.69 0.01 0.01 0.02 91 Q H H 110.74 2.73 11.30 15.28 94.46 53.29 -68.96 -33.49 20.28 0.12 79.60 4.95 2.21 12.29 79.26 1.18 0.01 0.04 0.06 92 Q H H 124.31 2.51 9.74 13.54 96.17 57.08 -73.16 -23.24 40.08 0.35 59.57 12.24 4.39 22.65 58.85 1.52 0.01 0.13 0.19 93 K C H 153.39 1.60 8.98 11.68 100.28 64.09 -80.13 -4.71 64.27 0.33 35.39 37.78 1.49 21.53 37.85 1.03 0.00 0.12 0.19 94 Q C C 135.16 2.27 10.51 14.21 106.29 66.80 -80.94 84.07 99.95 0.02 0.04 99.83 0.06 0.08 0.03 0.00 0.00 0.00 0.00