# 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 78.55 12.20 17.72 29.83 121.06 -161.19 -104.87 131.85 99.90 0.10 0.00 99.85 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 F C C 108.49 8.63 20.44 29.16 111.44 -134.45 -90.25 119.56 93.09 6.67 0.23 90.22 2.22 1.10 0.08 0.11 0.00 3.92 2.35 2 V C C 11.95 23.77 10.85 33.93 119.91 -149.25 -103.32 135.55 86.99 12.88 0.13 81.92 4.16 0.15 0.07 0.04 0.00 3.73 9.92 3 K C C 104.97 3.97 23.44 27.50 129.47 -163.90 -116.43 157.97 98.86 1.11 0.03 98.68 0.44 0.04 0.01 0.01 0.00 0.34 0.48 4 K C T 124.95 8.21 15.02 24.63 110.13 -83.41 -59.60 134.99 99.66 0.24 0.10 0.11 0.90 98.78 0.00 0.05 0.00 0.12 0.03 5 G C T 44.14 3.90 19.17 23.93 96.20 25.42 89.60 -6.46 99.92 0.05 0.03 0.12 0.91 98.91 0.00 0.02 0.00 0.03 0.00 6 D C C 35.20 13.78 14.93 29.92 117.87 133.27 -70.90 146.43 97.73 2.26 0.00 96.97 0.86 0.02 0.00 0.00 0.00 2.08 0.06 7 K E E 101.58 7.33 23.98 31.79 115.32 -123.94 -87.54 132.07 2.30 97.69 0.01 2.39 0.07 0.00 0.01 0.00 0.00 96.68 0.85 8 V E E 4.20 25.15 16.03 41.69 133.57 -175.10 -134.36 154.54 1.09 98.91 0.00 0.99 0.04 0.01 0.00 0.00 0.00 98.92 0.04 9 K E E 71.28 9.41 26.47 36.62 121.35 -136.18 -110.30 135.32 1.71 98.25 0.04 1.58 0.11 0.04 0.01 0.02 0.00 98.15 0.09 10 V E E 10.62 22.17 15.86 38.71 109.46 -119.12 -76.19 123.69 17.73 82.18 0.08 17.54 0.46 0.06 0.03 0.04 0.00 80.96 0.91 11 I C C 56.88 10.23 21.28 32.47 99.74 176.37 -99.20 -26.70 91.91 7.85 0.24 62.15 27.00 2.60 0.03 0.27 0.00 7.40 0.55 12 T C S 60.20 5.07 22.00 27.78 140.16 12.48 -151.22 157.64 96.05 3.46 0.49 8.87 81.76 5.88 0.06 0.37 0.00 2.08 0.99 13 G C S 36.80 4.49 18.51 24.21 126.77 31.88 90.58 -161.96 94.07 1.50 4.44 6.21 78.06 10.27 0.40 3.45 0.00 0.60 1.02 14 K C T 152.78 2.58 18.43 21.43 93.65 -44.32 -70.44 -21.62 89.60 1.08 9.32 1.81 21.07 66.55 0.34 9.07 0.01 0.56 0.59 15 D C T 33.73 15.91 12.39 28.68 96.70 51.85 -99.73 11.27 91.66 1.19 7.15 5.73 11.92 72.73 0.36 8.03 0.00 0.76 0.45 16 K C T 97.59 10.76 13.70 25.54 110.83 136.59 -62.45 134.11 97.26 1.11 1.63 2.06 2.82 92.63 0.18 1.28 0.00 0.58 0.45 17 N C T 117.08 3.01 19.78 23.19 93.19 18.95 77.74 0.92 98.41 0.79 0.80 1.68 3.75 92.91 0.05 0.86 0.00 0.65 0.09 18 K C C 78.71 10.72 17.03 28.67 121.19 126.81 -84.80 147.32 95.76 4.09 0.14 90.82 4.18 0.62 0.02 0.14 0.00 3.98 0.24 19 E E E 101.43 9.29 20.80 31.10 125.86 -146.77 -112.63 143.69 7.49 92.48 0.03 7.17 0.42 0.03 0.02 0.01 0.00 90.90 1.44 20 G E E 8.56 14.53 21.23 36.52 144.92 135.27 -170.63 -175.95 1.46 98.54 0.00 1.17 0.13 0.01 0.00 0.00 0.00 98.67 0.02 21 V E E 51.70 9.00 25.90 36.00 120.27 -73.78 -103.09 138.33 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 22 V E E 5.09 24.92 15.24 41.37 109.07 -116.54 -75.10 123.74 0.42 99.58 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 23 L E E 63.54 8.59 23.58 32.98 100.68 175.19 -96.92 -32.11 1.21 98.79 0.00 0.78 0.24 0.01 0.00 0.00 0.00 98.96 0.00 24 A E E 40.80 7.04 25.90 34.10 141.05 0.27 -155.74 152.25 0.32 99.68 0.00 0.22 0.03 0.00 0.00 0.00 0.00 99.74 0.00 25 A E E 20.11 22.12 14.44 35.77 125.94 -163.66 -131.93 133.28 0.71 99.29 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.34 0.02 26 F E E 56.67 8.10 18.99 29.10 109.99 -160.54 -113.06 105.28 6.96 93.02 0.02 6.38 0.38 0.03 0.01 0.01 0.00 92.81 0.38 27 P C G 69.72 10.43 13.49 25.24 93.60 -174.94 -64.66 -31.58 52.42 0.99 46.59 1.75 2.78 44.43 0.47 49.69 0.00 0.77 0.10 28 K C T 167.80 0.68 16.21 15.18 93.03 53.23 -68.57 -34.79 54.76 0.32 44.93 0.79 2.17 48.91 0.48 47.39 0.00 0.19 0.07 29 Q C G 102.87 3.79 15.93 20.35 97.52 32.98 -97.72 -5.39 55.22 0.13 44.65 0.78 2.28 48.06 0.37 48.41 0.00 0.07 0.04 30 D C T 60.95 12.38 15.35 28.60 94.93 -126.48 56.71 42.59 99.63 0.10 0.27 2.99 2.68 94.03 0.03 0.18 0.00 0.07 0.01 31 K E E 49.76 11.88 21.78 34.48 135.63 126.91 -134.03 157.21 4.44 95.56 0.00 3.60 0.38 0.04 0.00 0.00 0.00 95.85 0.12 32 V E E 4.19 24.55 18.28 43.72 122.25 -144.43 -116.87 133.23 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 33 I E E 36.76 11.16 26.54 38.87 116.90 -152.54 -106.50 126.41 0.06 99.94 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.95 0.00 34 V E E 5.47 24.59 16.83 42.02 118.24 -168.12 -112.99 125.39 0.31 99.69 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 35 E E E 92.61 7.27 23.33 30.91 118.23 -149.78 -88.55 141.79 14.18 85.68 0.14 5.77 3.46 4.83 0.01 0.15 0.00 85.65 0.14 36 G C S 36.42 6.26 21.93 28.97 96.96 19.03 77.28 10.84 70.14 29.58 0.28 14.02 34.69 19.25 0.01 0.32 0.00 31.40 0.31 37 V C C 24.52 21.34 13.00 33.41 110.24 141.80 -87.71 121.85 63.08 36.20 0.72 50.21 8.68 2.89 0.10 0.68 0.00 36.59 0.85 38 N C E 77.44 8.37 21.14 29.73 106.54 64.81 -97.24 61.37 50.58 48.86 0.56 33.40 12.67 4.26 0.07 0.56 0.00 48.25 0.79 39 V E E 54.40 13.75 15.39 29.47 119.28 130.80 -103.81 131.21 20.43 79.30 0.27 17.09 3.03 0.51 0.07 0.19 0.00 77.94 1.16 40 V E E 62.12 10.52 15.70 27.29 122.38 -166.20 -114.95 134.99 9.74 90.07 0.19 8.59 0.98 0.22 0.07 0.12 0.00 89.31 0.71 41 K E E 110.55 8.16 14.40 23.85 116.83 -142.91 -97.94 130.59 11.93 87.73 0.34 10.42 1.20 0.35 0.12 0.21 0.00 87.12 0.59 42 K E E 112.60 6.67 13.21 21.48 118.56 -157.05 -102.96 134.70 25.87 72.73 1.40 20.58 4.24 1.26 0.31 1.05 0.00 71.88 0.69 43 H E E 117.37 5.86 11.60 19.13 116.84 -136.27 -98.64 132.96 37.06 61.94 1.00 29.28 6.93 1.67 0.21 0.83 0.00 59.66 1.43 44 Q C C 102.31 5.96 11.08 18.89 120.79 -164.37 -107.79 139.33 60.79 38.31 0.90 50.29 9.04 1.17 0.24 0.77 0.00 34.92 3.57 45 K C C 135.90 3.22 11.85 16.70 115.76 -117.99 -86.36 137.26 90.23 9.27 0.51 81.67 7.57 0.86 0.17 0.33 0.00 8.37 1.03 46 P C C 80.79 6.22 9.17 17.09 110.37 -106.07 -67.17 147.82 83.98 6.54 9.47 62.26 10.28 11.23 2.33 7.37 0.00 4.69 1.85 47 N C C 94.31 3.67 9.45 14.85 117.15 -137.12 -99.22 154.76 83.64 7.34 9.02 51.93 16.44 14.81 2.35 6.68 0.01 3.38 4.39 48 Q C T 152.02 1.16 9.30 11.25 95.14 -112.36 -68.11 -26.14 90.24 1.37 8.39 11.30 35.03 44.55 1.53 6.09 0.01 0.69 0.80 49 A C T 93.31 0.90 10.46 11.21 97.62 48.09 -80.65 -22.75 92.44 1.04 6.52 10.28 37.04 45.80 1.30 4.46 0.00 0.52 0.60 50 A C S 54.99 5.23 8.16 15.29 112.39 31.49 -125.55 98.81 91.22 7.34 1.44 35.94 51.25 3.87 0.43 0.96 0.00 2.96 4.58 51 P C T 101.41 2.93 10.17 14.96 95.94 -164.03 -65.86 -22.33 88.60 2.92 8.48 24.18 17.06 46.74 0.70 8.61 0.00 1.94 0.77 52 Q C T 134.19 1.99 12.29 15.09 100.26 55.29 -89.42 5.72 83.61 7.17 9.21 24.54 16.90 42.32 0.90 8.71 0.01 4.78 1.83 53 G C C 31.30 8.51 11.34 21.10 119.17 -126.32 86.26 172.93 87.64 8.48 3.89 53.50 19.09 14.58 0.36 4.40 0.00 6.52 1.55 54 G C C 33.10 6.33 14.89 22.43 123.00 -149.72 114.01 -174.65 68.58 30.63 0.79 41.01 22.68 5.13 0.11 0.81 0.00 29.07 1.20 55 I E E 87.39 9.98 13.10 23.99 121.14 -58.15 -106.08 135.03 15.70 84.26 0.04 13.95 1.52 0.12 0.01 0.03 0.00 83.35 1.02 56 L E E 70.48 8.12 14.96 24.67 123.19 -165.85 -117.37 137.79 3.18 96.82 0.00 3.00 0.12 0.01 0.00 0.00 0.00 96.70 0.17 57 E E E 113.76 8.62 14.52 24.54 118.39 -150.08 -104.85 129.59 3.10 96.90 0.00 2.65 0.28 0.01 0.00 0.00 0.00 97.00 0.06 58 V E E 63.31 8.00 16.85 26.22 129.62 177.00 -132.84 145.87 3.52 96.48 0.01 3.15 0.26 0.02 0.00 0.00 0.00 96.46 0.11 59 E E E 101.73 9.92 16.82 27.43 115.36 -117.50 -81.93 135.59 9.27 90.72 0.01 8.76 0.42 0.03 0.00 0.01 0.00 90.49 0.29 60 A E E 21.34 14.70 17.23 32.71 134.05 167.33 -138.92 153.90 31.20 68.79 0.00 29.62 0.69 0.02 0.00 0.00 0.00 69.48 0.20 61 P E E 62.03 9.80 22.56 32.45 114.06 -103.39 -68.31 143.65 26.45 73.54 0.01 22.95 2.77 0.10 0.00 0.01 0.00 73.69 0.47 62 I E E 13.59 23.15 15.98 39.11 128.77 -170.93 -128.15 143.90 12.70 87.29 0.01 11.91 0.79 0.04 0.00 0.01 0.00 83.48 3.78 63 H E E 63.13 9.23 24.65 34.48 111.79 -119.77 -80.86 131.26 24.71 75.27 0.02 26.10 0.31 0.01 0.01 0.01 0.00 69.50 4.06 64 V H G 24.10 21.94 16.19 37.86 91.75 -131.78 -60.95 -30.33 7.43 0.26 92.31 1.06 0.82 4.59 1.27 92.01 0.00 0.24 0.01 65 S H G 62.11 8.25 22.31 31.34 90.42 66.71 -71.26 -14.31 6.64 0.17 93.19 0.36 0.54 4.98 0.90 93.07 0.00 0.15 0.00 66 N H G 57.60 11.97 21.55 34.27 96.64 53.65 -99.66 3.18 7.79 0.20 92.01 0.83 0.93 4.87 0.74 92.46 0.00 0.16 0.01 67 V C C 7.87 24.89 16.04 41.30 119.64 98.15 -95.06 136.77 51.91 44.98 3.10 39.46 10.97 1.29 1.43 1.75 0.02 37.02 8.08 68 M E E 54.83 12.84 25.56 38.21 124.94 -165.56 -118.32 138.57 47.85 52.02 0.12 45.59 1.91 0.17 0.05 0.07 0.00 49.68 2.54 69 V E E 25.98 19.33 20.72 39.55 115.09 -129.48 -86.74 132.11 41.35 58.58 0.08 35.22 5.32 0.27 0.02 0.07 0.00 58.09 1.01 70 I E E 41.19 13.56 18.48 32.95 121.36 -161.22 -113.13 133.01 8.40 91.55 0.04 7.66 0.34 0.01 0.05 0.01 0.00 48.10 43.82 71 D C C 34.76 10.85 14.54 27.59 107.98 -127.48 -82.43 116.73 89.33 10.65 0.02 89.85 0.54 0.04 0.00 0.01 0.00 8.62 0.95 72 P C T 78.10 7.95 13.30 23.02 92.66 -155.82 -65.78 -25.41 99.71 0.06 0.23 0.40 3.23 96.11 0.01 0.20 0.00 0.04 0.01 73 S C T 92.60 0.97 14.30 14.59 97.20 48.12 -77.03 -37.45 99.66 0.07 0.27 0.12 2.28 97.32 0.00 0.21 0.00 0.03 0.02 74 N C T 98.09 2.48 13.26 16.27 101.30 21.65 -103.89 -16.00 99.65 0.08 0.28 0.51 3.99 95.19 0.01 0.26 0.00 0.04 0.02 75 G C C 43.36 6.42 11.66 19.94 96.28 -125.57 76.44 6.91 99.09 0.66 0.25 71.41 12.09 15.56 0.04 0.22 0.00 0.41 0.26 76 E C C 106.52 3.25 17.13 21.43 118.70 138.35 -81.70 144.37 88.23 11.69 0.08 73.21 15.08 0.39 0.02 0.07 0.00 9.99 1.24 77 A E E 56.20 9.80 16.25 26.79 114.49 -104.54 -68.15 143.57 6.99 92.94 0.07 6.17 0.41 0.03 0.09 0.02 0.00 47.42 45.86 78 T C C 23.61 17.65 14.76 32.41 129.66 -168.04 -125.32 152.80 58.32 41.63 0.05 56.24 1.71 0.11 0.01 0.03 0.00 41.34 0.56 79 K E E 88.10 8.85 23.08 32.33 120.18 -122.53 -98.43 138.48 31.76 68.20 0.03 29.22 1.91 0.08 0.01 0.02 0.00 67.82 0.94 80 V E E 24.29 20.44 15.53 35.65 118.19 -139.97 -98.64 132.37 11.21 88.78 0.01 10.78 0.29 0.01 0.00 0.00 0.00 88.71 0.20 81 A E E 24.51 10.43 21.36 32.86 132.52 168.92 -129.93 159.14 1.94 98.06 0.00 1.72 0.08 0.00 0.00 0.00 0.00 98.15 0.05 82 F E E 83.30 14.64 15.23 29.76 126.88 -142.64 -123.58 141.31 1.26 98.74 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.81 0.03 83 K E E 87.43 7.02 16.25 24.79 130.87 175.17 -135.14 151.80 1.25 98.74 0.00 1.04 0.07 0.00 0.00 0.00 0.00 98.87 0.01 84 E E E 117.17 5.28 12.71 19.92 114.87 -127.85 -95.08 126.83 4.66 95.32 0.01 3.88 0.33 0.03 0.00 0.01 0.00 95.71 0.04 85 V E E 63.23 8.36 8.55 18.49 119.84 177.16 -130.00 121.89 8.18 91.71 0.11 4.93 2.07 0.92 0.01 0.10 0.00 91.52 0.44 86 D C T 136.00 0.49 11.58 11.05 93.46 -14.65 52.21 42.72 99.53 0.31 0.16 0.46 4.44 94.69 0.00 0.16 0.00 0.22 0.02 87 G C T 65.89 0.68 10.93 11.25 94.73 -50.12 79.22 2.74 99.80 0.09 0.10 0.50 4.99 94.33 0.00 0.11 0.00 0.06 0.01 88 K E E 116.26 3.13 11.92 17.04 126.70 102.55 -116.16 147.19 5.88 94.11 0.01 3.85 1.60 0.09 0.00 0.01 0.00 94.25 0.20 89 K E E 109.05 7.22 13.49 22.38 114.38 -118.54 -83.40 130.83 1.55 98.45 0.00 1.35 0.04 0.00 0.00 0.00 0.00 98.59 0.02 90 V E E 24.86 13.27 15.17 30.25 128.91 -175.44 -127.01 147.82 0.76 99.24 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.30 0.00 91 R E E 68.87 11.98 19.95 32.81 116.29 -129.98 -96.13 130.04 0.32 99.68 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 92 V E E 20.26 14.56 18.83 34.71 128.60 -173.05 -126.52 145.44 0.27 99.73 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.69 0.07 93 S E E 11.94 14.78 15.37 32.23 110.48 -113.00 -71.27 129.58 9.32 90.67 0.01 9.04 0.20 0.02 0.00 0.00 0.00 90.21 0.52 94 K C T 97.96 10.05 16.61 27.62 93.62 -146.80 -66.44 -29.46 99.17 0.56 0.27 0.61 3.13 95.59 0.01 0.22 0.00 0.39 0.05 95 K C T 138.17 3.00 17.31 20.91 97.64 46.73 -77.05 -39.44 99.51 0.20 0.29 0.13 1.97 97.54 0.00 0.21 0.00 0.08 0.06 96 T C T 75.36 3.78 15.90 20.46 101.60 20.46 -106.56 -15.18 99.69 0.09 0.22 0.54 2.88 96.32 0.01 0.17 0.00 0.05 0.02 97 G C C 34.02 10.30 12.85 24.23 95.38 -122.42 78.83 8.12 99.27 0.60 0.13 87.01 5.53 6.72 0.03 0.10 0.00 0.44 0.16 98 E C C 94.49 4.30 17.18 22.90 117.84 145.45 -74.89 144.03 92.73 7.24 0.02 90.30 2.59 0.11 0.00 0.02 0.00 6.48 0.49 99 V E E 79.61 9.01 15.87 25.82 112.64 -112.40 -76.45 132.54 2.28 97.70 0.02 2.18 0.13 0.01 0.03 0.00 0.00 72.33 25.31 100 L E E 47.63 15.51 11.22 26.56 108.19 -158.58 -88.63 91.60 38.27 61.60 0.13 33.96 2.64 0.43 0.03 0.11 0.00 62.17 0.67 101 D C C 96.61 4.33 15.09 20.57 116.20 -97.13 -94.34 131.11 67.92 31.88 0.20 65.03 1.38 0.88 0.04 0.14 0.00 31.69 0.84 102 K C C 141.01 5.09 13.79 20.43 106.72 -137.45 -86.83 83.52 99.73 0.27 0.01 99.69 0.09 0.03 0.00 0.00 0.00 0.18 0.01