# 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 H C C 114.61 6.50 22.54 29.05 102.66 -8.23 -87.30 60.85 99.79 0.21 0.00 99.59 0.21 0.07 0.00 0.00 0.00 0.11 0.02 1 I C C 16.14 23.64 10.42 33.07 118.96 139.53 -101.99 135.01 85.56 14.37 0.07 86.56 0.34 0.03 0.04 0.01 0.00 3.54 9.47 2 K C C 113.81 3.18 22.66 25.78 127.49 -165.36 -115.50 156.24 98.75 1.21 0.04 98.59 0.36 0.05 0.01 0.01 0.00 0.35 0.63 3 K C T 128.83 7.56 14.51 23.66 110.09 -84.44 -59.87 134.80 99.65 0.23 0.12 0.14 0.92 98.72 0.00 0.06 0.00 0.12 0.03 4 G C T 43.92 4.14 18.82 23.91 96.56 25.36 89.34 -6.83 99.90 0.06 0.04 0.15 0.97 98.81 0.00 0.03 0.00 0.04 0.00 5 D C C 38.16 13.16 15.08 29.50 118.04 133.01 -71.49 146.30 97.91 2.08 0.00 97.09 0.95 0.02 0.00 0.00 0.00 1.88 0.06 6 N E E 77.07 7.79 23.81 31.99 115.16 -123.02 -87.29 132.60 2.61 97.38 0.01 2.70 0.07 0.00 0.01 0.00 0.00 96.38 0.82 7 V E E 4.50 25.04 16.03 41.53 134.05 -174.29 -134.74 153.88 0.92 99.07 0.00 0.87 0.03 0.00 0.00 0.00 0.00 99.07 0.03 8 K E E 73.51 9.29 26.66 36.70 121.54 -139.90 -110.58 133.89 1.46 98.52 0.02 1.38 0.07 0.02 0.01 0.01 0.00 98.44 0.08 9 V E E 9.58 22.69 15.88 39.28 109.29 -119.77 -76.14 123.48 16.71 83.18 0.11 16.52 0.48 0.07 0.03 0.05 0.00 81.94 0.91 10 I C C 58.23 10.12 21.89 32.83 99.79 176.51 -99.40 -26.79 91.31 8.27 0.42 60.74 27.33 3.07 0.05 0.45 0.00 7.77 0.60 11 A C S 45.16 5.96 22.36 29.02 141.35 8.94 -152.47 158.56 95.88 3.52 0.60 9.06 81.20 6.12 0.08 0.45 0.00 2.02 1.08 12 G C S 35.62 4.80 18.71 24.77 127.93 34.87 93.26 -162.69 95.10 1.42 3.49 5.98 79.85 9.71 0.41 2.45 0.00 0.55 1.05 13 K C T 156.26 2.25 18.70 21.37 93.47 -47.09 -69.38 -21.44 91.05 0.90 8.05 1.54 20.03 69.45 0.34 7.65 0.00 0.45 0.53 14 D C T 35.09 15.84 12.80 29.00 96.17 52.03 -99.52 7.64 93.16 0.89 5.95 4.53 11.40 76.06 0.35 6.71 0.00 0.55 0.39 15 K C T 100.57 10.99 13.92 26.04 111.09 134.77 -61.85 132.59 97.60 0.78 1.62 1.55 2.34 93.97 0.18 1.20 0.00 0.36 0.39 16 G C T 49.16 4.05 19.75 24.35 94.11 21.43 85.62 -2.59 98.83 0.50 0.67 1.30 2.90 94.68 0.05 0.62 0.00 0.39 0.07 17 K C C 79.64 10.52 17.91 29.32 120.91 126.05 -80.12 147.67 96.90 2.99 0.11 92.92 3.50 0.48 0.02 0.11 0.00 2.78 0.21 18 E E E 99.29 10.01 20.73 31.60 126.59 -148.60 -114.22 144.86 7.56 92.41 0.03 7.26 0.44 0.03 0.02 0.01 0.00 90.17 2.06 19 G E E 9.12 14.48 21.17 36.38 144.62 140.88 -168.20 -173.41 2.00 97.99 0.00 1.61 0.23 0.01 0.00 0.00 0.00 98.11 0.03 20 K E E 84.01 7.98 25.90 34.81 120.18 -74.70 -102.59 138.48 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 21 V E E 5.81 24.75 14.69 40.55 109.11 -115.47 -74.54 124.47 0.45 99.55 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 22 I E E 66.66 8.29 23.28 32.39 101.04 174.92 -97.96 -31.41 1.33 98.66 0.00 0.90 0.25 0.01 0.00 0.00 0.00 98.84 0.01 23 A E E 42.09 6.80 25.57 33.37 140.55 0.66 -155.50 152.57 0.50 99.49 0.00 0.35 0.05 0.00 0.00 0.00 0.00 99.59 0.00 24 T E E 30.56 21.22 14.25 34.52 123.64 -161.41 -127.78 129.84 1.10 98.89 0.01 0.95 0.05 0.00 0.00 0.00 0.00 98.96 0.02 25 L E E 44.61 8.10 18.05 28.35 109.87 -162.23 -112.75 101.83 7.17 92.80 0.02 6.60 0.41 0.03 0.01 0.01 0.00 92.43 0.51 26 P H G 73.58 9.21 13.43 24.21 93.79 -175.51 -64.75 -31.88 48.89 1.00 50.11 1.81 2.66 40.71 0.47 53.48 0.00 0.78 0.10 27 K C G 168.33 0.66 15.83 14.77 93.16 53.05 -68.46 -34.31 51.08 0.30 48.62 0.73 2.02 45.40 0.46 51.15 0.00 0.17 0.06 28 K C G 116.51 3.79 15.66 20.13 97.91 32.44 -97.97 -4.09 51.55 0.12 48.33 0.68 2.10 44.70 0.37 52.05 0.00 0.07 0.03 29 D C T 63.09 12.07 15.35 28.30 94.74 -126.40 56.26 43.24 99.64 0.10 0.26 2.75 2.51 94.46 0.03 0.16 0.00 0.07 0.01 30 R E E 60.13 11.77 21.48 34.04 135.33 125.28 -133.95 156.41 4.26 95.74 0.00 3.44 0.38 0.04 0.00 0.00 0.00 96.02 0.12 31 V E E 4.51 24.36 18.15 43.37 121.20 -145.46 -114.93 133.31 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 32 V E E 31.97 11.15 26.46 38.80 117.33 -153.72 -107.03 126.80 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 33 V E E 5.19 24.68 16.76 42.11 118.91 -166.95 -112.67 126.48 0.37 99.63 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.00 34 E E E 92.00 7.31 23.65 31.22 118.26 -150.33 -88.72 142.85 13.70 86.18 0.12 6.07 3.34 3.62 0.01 0.12 0.00 86.72 0.13 35 G C S 34.63 7.10 22.08 29.88 98.31 18.52 76.88 16.26 68.76 30.98 0.27 14.58 36.04 15.82 0.01 0.30 0.00 32.92 0.34 36 V C C 24.57 21.28 13.61 33.93 115.55 141.09 -95.45 131.78 61.33 37.77 0.90 47.36 10.10 3.41 0.13 0.84 0.00 37.05 1.11 37 N C E 73.82 8.41 21.96 30.49 109.58 -142.38 -95.46 104.64 53.71 45.52 0.78 36.70 11.95 4.83 0.11 0.74 0.00 44.61 1.06 38 I E E 56.33 15.61 15.17 30.63 118.97 -154.60 -104.36 131.32 27.17 72.24 0.60 22.14 4.55 0.93 0.19 0.40 0.00 69.90 1.90 39 M E E 71.91 10.24 16.62 27.88 123.83 -169.68 -117.29 138.17 14.71 84.83 0.46 12.73 1.77 0.44 0.17 0.26 0.00 83.64 0.99 40 K E E 112.52 8.64 14.83 24.64 116.85 -138.27 -96.75 131.47 15.22 84.09 0.69 12.91 1.83 0.58 0.23 0.41 0.00 83.31 0.73 41 K E E 103.52 7.40 14.10 22.97 121.33 -163.39 -111.95 137.32 23.02 75.04 1.94 18.44 3.64 1.35 0.58 1.23 0.00 73.86 0.89 42 H E E 113.90 6.90 12.23 20.69 115.74 -135.36 -94.75 131.49 34.21 64.45 1.34 27.72 5.69 1.64 0.38 0.96 0.00 61.91 1.69 43 Q C C 86.94 7.45 11.52 20.62 121.08 -165.26 -110.66 142.49 63.83 34.96 1.21 53.08 9.00 1.28 0.37 0.91 0.00 32.86 2.50 44 K C C 132.31 3.26 12.99 17.69 115.14 -113.43 -82.09 139.25 91.19 7.23 1.59 81.47 8.23 1.51 0.65 0.85 0.00 6.35 0.95 45 P C C 73.82 7.29 9.39 18.18 109.09 -106.17 -66.50 145.05 72.69 3.53 23.79 48.64 9.66 14.44 6.59 17.19 0.00 2.48 0.99 46 T C C 94.14 3.13 10.16 14.77 105.58 -151.36 -89.06 2.62 69.70 3.20 27.09 34.16 15.31 21.11 6.71 19.47 0.02 1.59 1.64 47 Q C T 133.23 1.98 9.83 12.99 99.78 66.12 -78.68 -21.94 72.18 2.04 25.78 22.80 24.32 26.40 6.57 17.64 0.02 0.94 1.31 48 L C S 124.66 2.11 10.64 13.62 100.93 39.72 -83.32 -19.33 79.84 2.14 18.03 23.97 30.47 26.81 5.76 10.61 0.02 0.94 1.43 49 N C C 80.27 5.32 9.20 16.38 111.88 33.32 -123.35 99.36 94.26 4.04 1.71 50.37 38.39 5.23 0.49 1.20 0.00 1.50 2.82 50 P C T 99.00 3.67 10.61 16.13 95.92 -162.47 -66.41 -19.37 86.20 0.99 12.82 14.53 14.32 55.89 1.00 13.28 0.00 0.59 0.39 51 E C T 141.15 1.99 13.06 15.68 99.60 58.45 -86.85 0.84 82.21 3.78 14.02 14.71 14.83 52.06 1.25 13.51 0.00 2.48 1.15 52 G C C 28.44 9.32 11.83 22.26 118.82 -112.21 -25.25 173.50 85.60 6.27 8.13 48.12 19.66 17.00 0.64 8.83 0.00 4.37 1.39 53 G C C 30.27 7.49 14.90 23.62 121.25 -144.93 111.07 175.25 73.61 25.37 1.02 50.88 17.34 5.21 0.14 1.02 0.00 24.06 1.34 54 I E E 83.72 10.58 13.60 24.96 121.55 -65.98 -107.41 135.07 15.77 84.18 0.05 14.23 1.42 0.12 0.01 0.03 0.00 83.06 1.12 55 L E E 67.79 8.81 15.41 25.71 122.63 -167.38 -115.11 138.14 3.23 96.76 0.01 3.03 0.14 0.01 0.00 0.00 0.00 96.62 0.19 56 E E E 112.69 8.92 14.86 25.07 118.72 -153.19 -105.36 130.30 3.72 96.27 0.01 3.14 0.37 0.02 0.00 0.00 0.00 96.41 0.06 57 T E E 59.21 7.66 17.49 26.43 131.65 175.10 -136.17 149.57 4.69 95.28 0.03 4.10 0.41 0.04 0.00 0.01 0.00 95.33 0.10 58 E E E 99.55 10.68 16.67 27.90 116.14 -118.04 -84.34 137.45 8.94 91.02 0.04 8.26 0.55 0.06 0.01 0.02 0.00 90.91 0.19 59 A E E 21.46 14.63 17.90 33.26 134.87 168.48 -139.51 155.90 17.20 82.77 0.02 16.07 0.63 0.03 0.00 0.01 0.00 83.05 0.20 60 A E E 48.29 10.65 22.84 33.45 114.21 -106.01 -72.38 141.49 13.96 86.02 0.01 12.42 0.93 0.03 0.00 0.00 0.00 86.28 0.32 61 I E E 10.55 23.78 16.68 40.61 128.08 -170.27 -124.01 142.58 9.38 90.62 0.00 9.09 0.38 0.01 0.00 0.00 0.00 89.18 1.34 62 H E E 59.24 9.63 25.43 35.76 114.00 -124.43 -82.14 134.96 20.93 79.05 0.02 22.13 0.29 0.01 0.00 0.01 0.00 75.24 2.32 63 V H G 15.74 23.54 16.56 40.11 91.48 -128.23 -60.40 -30.58 7.93 0.33 91.74 1.11 0.92 4.96 1.46 91.22 0.00 0.32 0.01 64 S H G 57.65 9.43 22.85 33.06 90.55 66.53 -70.80 -15.37 7.22 0.23 92.55 0.42 0.63 5.43 1.04 92.26 0.00 0.22 0.00 65 N H G 55.01 12.52 22.34 35.58 96.68 53.81 -100.15 3.26 8.25 0.25 91.50 0.96 1.04 5.15 0.89 91.74 0.00 0.21 0.01 66 V C C 5.24 25.81 16.45 42.83 120.15 97.70 -97.41 137.58 51.71 45.34 2.95 39.60 10.19 1.56 1.49 1.56 0.01 38.26 7.34 67 Q E E 52.42 13.32 26.11 39.14 125.97 -167.46 -120.24 139.34 44.28 55.49 0.23 42.20 1.76 0.24 0.09 0.13 0.00 52.53 3.05 68 L E E 27.65 19.74 21.16 40.27 115.61 -123.42 -83.42 134.06 38.97 60.89 0.14 32.01 6.08 0.39 0.04 0.12 0.00 59.72 1.64 69 L E E 38.49 14.28 18.68 33.67 120.79 -156.11 -110.30 133.33 14.30 85.62 0.08 12.84 0.62 0.03 0.09 0.01 0.00 43.89 42.53 70 D C C 32.61 11.38 14.80 28.33 108.13 -128.66 -82.81 116.35 91.08 8.88 0.03 91.51 0.69 0.06 0.01 0.01 0.00 6.66 1.05 71 P C T 75.85 8.05 13.76 23.54 92.76 -153.76 -65.41 -25.58 99.69 0.06 0.25 0.46 4.17 95.08 0.01 0.24 0.00 0.03 0.02 72 K C T 156.09 1.24 14.59 15.55 96.67 48.79 -76.15 -37.67 99.61 0.08 0.30 0.22 3.50 95.92 0.00 0.29 0.00 0.04 0.02 73 T C T 76.13 3.51 12.80 17.45 101.54 23.14 -103.49 -13.47 99.50 0.17 0.33 1.45 6.70 91.31 0.01 0.38 0.00 0.10 0.05 74 N C C 106.97 5.51 12.33 19.85 95.00 -129.36 64.63 23.49 99.02 0.76 0.22 63.39 13.76 21.86 0.04 0.22 0.00 0.50 0.23 75 E C C 101.16 3.77 16.91 21.89 122.32 135.69 -91.34 144.87 84.43 15.52 0.05 58.89 26.33 0.37 0.01 0.05 0.00 12.95 1.39 76 P E E 69.54 9.45 16.71 26.92 113.97 -102.77 -65.82 144.04 10.86 89.07 0.07 9.78 0.58 0.04 0.09 0.02 0.00 46.32 43.16 77 T C C 22.10 18.40 14.88 33.20 130.12 -166.61 -125.89 152.53 61.00 38.96 0.04 58.16 2.07 0.12 0.01 0.03 0.00 39.06 0.55 78 R E E 97.77 9.52 23.39 33.26 119.55 -122.72 -99.55 135.04 23.92 76.05 0.03 21.75 1.75 0.09 0.01 0.02 0.00 75.34 1.05 79 V E E 21.30 21.05 16.49 37.11 119.53 -145.20 -101.58 133.67 9.09 90.90 0.01 8.66 0.27 0.01 0.00 0.00 0.00 90.86 0.19 80 G E E 12.05 11.23 22.04 34.28 139.62 162.50 -143.86 176.67 1.85 98.15 0.00 1.59 0.10 0.00 0.00 0.00 0.00 98.25 0.05 81 Y E E 90.34 14.61 16.36 30.81 129.54 -122.34 -130.82 144.44 1.35 98.65 0.00 1.17 0.06 0.00 0.00 0.00 0.00 98.74 0.03 82 K E E 85.82 7.68 17.16 26.14 131.63 -174.65 -134.29 152.63 1.27 98.73 0.00 1.04 0.08 0.01 0.00 0.00 0.00 98.86 0.01 83 F E E 116.20 6.90 12.88 21.53 115.34 -126.07 -97.05 126.57 3.52 96.47 0.01 2.91 0.26 0.02 0.00 0.00 0.00 96.76 0.04 84 V E E 62.97 8.16 9.02 18.91 120.72 176.84 -131.13 122.96 7.70 92.22 0.08 4.88 1.78 0.67 0.01 0.07 0.00 92.22 0.37 85 D C T 136.59 0.47 11.73 11.02 92.81 -14.77 51.98 43.12 99.56 0.31 0.14 0.52 4.37 94.73 0.00 0.14 0.00 0.23 0.02 86 G C T 65.46 0.75 11.02 11.58 94.61 -50.12 79.32 2.86 99.81 0.10 0.09 0.55 4.82 94.46 0.00 0.10 0.00 0.07 0.01 87 K E E 115.84 3.21 12.35 17.55 126.56 103.58 -115.79 147.11 5.59 94.40 0.01 3.73 1.41 0.08 0.00 0.01 0.00 94.60 0.17 88 K E E 106.19 7.68 13.79 23.06 114.32 -118.24 -82.80 130.58 1.43 98.57 0.00 1.23 0.04 0.00 0.00 0.00 0.00 98.71 0.02 89 V E E 23.77 13.72 15.45 30.87 129.61 -175.50 -127.56 148.16 0.68 99.32 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.38 0.00 90 R E E 62.99 12.61 20.26 33.71 116.11 -128.79 -96.41 130.25 0.33 99.67 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.72 0.00 91 I E E 23.04 14.67 19.43 35.32 128.18 -172.69 -124.53 144.98 0.24 99.76 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.74 0.05 92 A E E 10.14 16.18 15.09 33.17 110.13 -114.20 -72.13 128.32 7.11 92.88 0.01 6.91 0.15 0.01 0.00 0.00 0.00 92.44 0.48 93 K C T 102.75 9.22 17.28 27.47 93.99 -146.98 -65.71 -31.62 98.65 0.97 0.37 0.91 3.63 94.33 0.02 0.31 0.00 0.72 0.08 94 K C T 137.68 3.13 17.58 21.35 96.35 46.12 -75.50 -38.83 99.31 0.28 0.40 0.14 1.95 97.43 0.01 0.28 0.00 0.12 0.08 95 S C T 58.38 4.77 15.72 21.52 101.25 22.18 -105.66 -14.39 99.56 0.10 0.35 0.50 2.87 96.26 0.02 0.27 0.00 0.06 0.02 96 G C C 36.49 9.63 13.52 24.27 94.92 -122.29 79.53 7.84 99.41 0.45 0.14 86.31 6.49 6.61 0.03 0.11 0.00 0.31 0.15 97 E C C 93.50 4.76 17.15 23.47 117.64 145.91 -75.42 144.13 94.01 5.95 0.03 91.67 2.54 0.13 0.01 0.02 0.00 5.21 0.42 98 E E E 106.25 8.25 17.60 26.83 113.84 -113.23 -77.02 135.52 2.76 97.21 0.03 2.77 0.14 0.01 0.05 0.01 0.00 71.29 25.74 99 I E E 31.12 19.26 11.17 29.66 112.30 -148.12 -95.51 128.27 35.95 63.86 0.19 33.09 1.85 0.25 0.05 0.13 0.00 63.88 0.75 100 K C C 130.76 4.28 17.26 22.69 114.97 -139.45 -96.44 133.61 61.77 37.43 0.80 53.82 5.25 1.68 0.17 0.67 0.00 37.11 1.29 101 S C C 63.56 9.27 10.62 20.63 114.19 -153.10 -93.87 129.77 91.44 7.86 0.70 86.41 2.54 2.44 0.13 0.59 0.00 7.09 0.80 102 N C C 118.65 3.05 14.02 18.21 104.06 -140.81 -87.61 36.97 99.76 0.17 0.07 99.34 0.24 0.22 0.01 0.06 0.00 0.11 0.02