# 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 80.09 12.08 17.19 29.22 119.79 -160.16 -100.64 131.69 99.89 0.10 0.00 99.86 0.06 0.02 0.00 0.00 0.00 0.06 0.01 1 H C C 108.80 7.55 20.43 28.20 110.11 -134.25 -89.29 116.18 91.39 8.41 0.19 89.75 1.63 0.76 0.07 0.08 0.00 5.09 2.62 2 I C C 14.92 23.57 10.53 33.25 119.64 -152.99 -103.16 135.53 82.60 17.27 0.13 79.24 3.04 0.11 0.08 0.04 0.00 4.94 12.55 3 K C C 108.47 3.66 23.30 27.04 128.90 -164.92 -115.92 156.60 98.74 1.23 0.03 98.66 0.39 0.04 0.01 0.01 0.00 0.41 0.48 4 K C T 124.09 8.45 14.94 24.73 110.07 -84.31 -59.85 135.15 99.62 0.28 0.11 0.13 0.95 98.69 0.00 0.05 0.00 0.14 0.03 5 G C T 43.64 4.12 19.13 24.17 96.39 25.71 89.50 -6.64 99.90 0.06 0.03 0.14 0.96 98.84 0.00 0.02 0.00 0.04 0.00 6 D C C 36.69 13.47 15.26 29.94 117.87 132.81 -71.27 146.60 97.71 2.29 0.00 96.76 1.05 0.02 0.00 0.00 0.00 2.10 0.06 7 N E E 77.26 7.67 24.04 32.07 115.14 -122.06 -85.42 133.17 2.55 97.44 0.01 2.65 0.07 0.00 0.01 0.00 0.00 96.30 0.95 8 V E E 4.33 25.13 15.95 41.57 133.85 -174.14 -135.63 154.08 0.96 99.03 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.02 0.03 9 K E E 73.53 9.22 26.59 36.57 121.49 -138.05 -110.58 134.77 1.53 98.44 0.02 1.45 0.08 0.02 0.01 0.01 0.00 98.35 0.09 10 V E E 10.61 22.32 15.86 38.84 109.37 -119.97 -76.14 123.42 17.12 82.78 0.11 16.92 0.48 0.07 0.04 0.05 0.00 81.51 0.94 11 I C C 58.63 9.93 21.61 32.45 99.83 176.57 -99.65 -26.73 91.52 8.06 0.43 61.82 26.45 3.06 0.06 0.47 0.00 7.55 0.59 12 A C S 46.41 5.55 22.22 28.46 141.22 8.38 -152.71 158.75 95.95 3.42 0.62 9.16 80.99 6.29 0.08 0.47 0.00 1.96 1.05 13 G C S 36.42 4.56 18.59 24.37 127.56 33.86 94.06 -162.99 95.09 1.36 3.55 5.97 80.02 9.54 0.40 2.54 0.00 0.51 1.02 14 K C T 156.59 2.22 18.48 21.10 93.67 -47.01 -69.47 -21.37 90.95 0.89 8.16 1.52 20.32 69.09 0.33 7.76 0.00 0.45 0.53 15 D C T 35.92 15.61 12.69 28.71 96.32 51.85 -99.47 7.55 93.01 0.89 6.09 4.47 11.55 75.84 0.35 6.85 0.00 0.55 0.39 16 K C T 102.06 10.67 13.80 25.70 111.23 135.59 -61.82 132.74 97.67 0.78 1.56 1.50 2.31 94.12 0.17 1.16 0.00 0.36 0.39 17 G C T 49.86 3.72 19.61 23.91 94.14 21.32 85.76 -2.56 98.90 0.48 0.62 1.25 2.87 94.83 0.04 0.57 0.00 0.37 0.06 18 K C C 79.79 10.40 17.70 29.03 120.79 125.83 -80.19 147.60 96.99 2.91 0.10 93.06 3.48 0.45 0.02 0.09 0.00 2.70 0.20 19 E E E 100.64 9.58 20.70 31.25 126.00 -146.57 -112.92 144.32 7.35 92.62 0.03 7.10 0.41 0.03 0.01 0.01 0.00 90.37 2.07 20 G E E 8.95 14.67 20.97 36.35 144.57 140.77 -168.05 -173.40 2.01 97.99 0.00 1.60 0.25 0.01 0.00 0.00 0.00 98.11 0.03 21 K E E 83.48 7.96 25.86 34.76 121.01 -76.65 -104.92 139.32 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 22 V E E 6.24 24.60 14.66 40.31 109.15 -115.16 -74.58 124.57 0.38 99.62 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 23 I E E 67.20 8.20 23.13 32.18 101.06 174.87 -98.06 -31.62 1.07 98.93 0.00 0.72 0.18 0.00 0.00 0.00 0.00 99.09 0.01 24 A E E 42.56 6.65 25.42 33.07 140.77 0.96 -155.48 152.76 0.41 99.58 0.00 0.29 0.04 0.00 0.00 0.00 0.00 99.67 0.00 25 T E E 31.74 21.05 14.08 34.14 124.14 -162.15 -129.35 130.46 0.89 99.10 0.00 0.76 0.04 0.00 0.00 0.00 0.00 99.17 0.02 26 L E E 45.54 7.90 17.88 27.99 110.00 -163.00 -113.52 102.90 6.72 93.26 0.02 6.14 0.39 0.03 0.01 0.01 0.00 93.00 0.41 27 P C G 73.86 9.04 13.30 23.97 93.66 -175.62 -64.74 -31.45 52.15 1.00 46.85 1.70 2.71 44.11 0.43 50.18 0.00 0.77 0.10 28 K C T 168.33 0.65 15.73 14.66 93.21 53.22 -68.33 -34.43 54.66 0.30 45.05 0.70 2.08 49.00 0.42 47.57 0.00 0.17 0.06 29 K C T 116.67 3.72 15.49 19.90 97.79 32.61 -98.18 -4.42 55.40 0.12 44.48 0.68 2.16 48.62 0.35 48.09 0.00 0.06 0.04 30 D C T 63.78 11.89 15.23 28.06 94.70 -126.54 56.63 43.05 99.65 0.10 0.25 2.74 2.45 94.54 0.03 0.16 0.00 0.07 0.01 31 R E E 61.38 11.52 21.44 33.77 134.99 125.14 -133.73 156.03 4.00 95.99 0.00 3.22 0.35 0.04 0.00 0.00 0.00 96.27 0.11 32 V E E 4.70 24.29 17.94 43.08 121.47 -146.10 -115.09 133.28 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 33 V E E 32.67 10.89 26.42 38.53 117.36 -153.76 -107.05 126.56 0.06 99.94 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 34 V E E 5.52 24.61 16.60 41.85 118.69 -167.16 -112.89 126.21 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 35 E E E 91.64 7.28 23.70 31.21 119.20 -152.22 -90.02 143.70 10.02 89.92 0.06 5.15 2.37 1.57 0.00 0.06 0.00 90.76 0.09 36 G C E 33.80 7.15 22.00 29.84 101.24 17.06 78.84 19.50 57.65 42.18 0.17 15.74 30.60 8.84 0.01 0.20 0.00 44.35 0.27 37 V C E 26.07 21.15 13.38 33.53 116.67 147.73 -95.84 133.08 51.86 47.70 0.44 43.24 6.20 1.51 0.07 0.39 0.00 47.71 0.88 38 N E E 74.80 7.98 21.76 29.97 110.34 -146.81 -99.09 112.12 46.67 52.93 0.40 34.37 9.21 2.49 0.06 0.37 0.00 52.65 0.85 39 I E E 59.81 15.14 14.82 29.89 119.06 -160.60 -104.52 131.03 23.71 75.92 0.36 19.45 3.90 0.67 0.10 0.25 0.00 74.00 1.64 40 M E E 75.36 9.59 16.20 26.96 123.51 -168.42 -116.33 138.20 14.12 85.52 0.36 12.04 1.90 0.43 0.12 0.22 0.00 84.46 0.84 41 K E E 114.47 8.16 14.39 23.84 117.15 -140.08 -97.71 131.10 14.90 84.57 0.54 12.62 1.86 0.56 0.16 0.35 0.00 83.78 0.67 42 K E E 105.23 7.16 13.62 22.34 121.11 -162.62 -110.99 136.88 23.54 75.00 1.46 18.96 3.63 1.28 0.38 1.00 0.00 73.91 0.84 43 H E E 116.16 6.48 11.98 20.10 115.79 -135.93 -95.60 130.66 34.50 64.49 1.01 27.91 5.78 1.58 0.26 0.77 0.00 62.06 1.64 44 Q C C 90.77 7.01 11.38 20.09 120.79 -166.51 -110.85 142.39 62.67 36.52 0.81 52.13 9.06 1.12 0.24 0.63 0.00 34.19 2.63 45 K C C 135.11 3.11 12.73 17.32 115.27 -113.04 -82.67 138.45 91.16 7.96 0.88 82.01 7.91 1.14 0.31 0.52 0.00 7.17 0.93 46 P C C 72.22 7.35 9.18 18.06 110.70 -106.92 -66.56 145.79 76.24 4.33 19.43 54.36 9.27 12.65 5.09 14.31 0.00 3.14 1.17 47 T C C 94.88 3.07 9.97 14.53 106.13 -151.68 -90.15 12.63 73.57 4.12 22.31 38.70 15.98 19.47 5.27 16.45 0.02 2.04 2.06 48 Q C T 135.60 1.82 9.67 12.59 99.74 65.31 -77.76 -21.25 76.31 2.06 21.63 21.55 27.52 28.50 5.10 15.04 0.02 0.96 1.31 49 L C S 128.41 1.82 10.41 13.03 100.34 36.97 -83.42 -19.15 82.85 1.85 15.30 21.38 33.03 29.66 4.39 9.47 0.01 0.83 1.22 50 N C C 84.85 4.83 9.12 15.80 112.25 31.65 -124.16 97.04 93.73 4.33 1.94 45.12 41.88 6.47 0.51 1.44 0.00 1.69 2.88 51 P C T 98.18 3.75 10.41 16.00 96.51 -164.66 -67.54 -18.19 86.37 1.36 12.27 17.75 15.59 51.84 0.98 12.54 0.00 0.81 0.50 52 E C T 139.98 2.11 12.95 15.83 100.49 59.40 -86.69 2.72 81.62 4.94 13.43 19.42 15.52 46.40 1.26 12.74 0.01 3.23 1.42 53 G C C 28.90 9.35 11.69 22.12 118.50 -115.28 8.46 172.76 86.09 7.13 6.78 50.81 18.82 15.72 0.56 7.45 0.00 5.21 1.42 54 G C C 31.11 7.28 14.84 23.35 121.51 -144.13 114.05 173.50 69.67 29.35 0.98 48.68 16.15 4.80 0.14 0.98 0.00 27.89 1.36 55 I E E 84.01 10.63 13.37 24.78 121.75 -83.09 -107.14 135.03 14.79 85.17 0.04 13.43 1.30 0.10 0.01 0.03 0.00 84.17 0.97 56 L E E 69.88 8.47 15.47 25.44 122.39 -166.64 -115.24 137.51 2.85 97.14 0.01 2.67 0.12 0.01 0.00 0.00 0.00 97.05 0.14 57 E E E 111.41 9.20 14.63 25.07 118.88 -152.69 -106.44 130.37 2.99 97.00 0.01 2.56 0.23 0.01 0.00 0.00 0.00 97.15 0.04 58 T E E 59.48 7.61 17.44 26.35 131.14 175.45 -135.59 148.81 3.38 96.60 0.01 3.01 0.23 0.02 0.00 0.01 0.00 96.65 0.07 59 E E E 100.29 10.54 16.55 27.70 116.20 -118.68 -84.83 137.24 7.19 92.78 0.02 6.73 0.37 0.03 0.00 0.01 0.00 92.69 0.16 60 A E E 22.24 14.40 17.72 32.90 134.49 168.07 -138.96 155.93 17.04 82.94 0.02 16.03 0.54 0.03 0.00 0.01 0.00 83.21 0.17 61 A E E 50.19 10.20 22.58 32.79 114.24 -106.14 -72.46 141.22 13.43 86.56 0.01 11.98 0.85 0.03 0.00 0.00 0.00 86.82 0.32 62 I E E 11.51 23.52 16.23 39.82 128.31 -171.55 -125.34 142.83 9.14 90.85 0.00 8.88 0.36 0.01 0.00 0.00 0.00 89.49 1.27 63 H E E 62.66 9.06 25.05 34.80 113.02 -121.72 -80.71 134.53 20.17 79.81 0.02 21.40 0.27 0.01 0.00 0.01 0.00 75.95 2.36 64 V H G 19.78 22.83 16.16 38.84 91.55 -129.29 -60.17 -30.83 7.31 0.32 92.37 1.08 0.87 4.43 1.25 92.04 0.00 0.33 0.01 65 S H G 60.27 8.68 22.54 32.05 90.43 66.07 -70.77 -15.64 6.54 0.24 93.23 0.39 0.57 4.87 0.88 93.04 0.00 0.23 0.00 66 N H G 56.56 12.28 21.93 34.93 96.54 54.34 -99.67 3.29 7.54 0.26 92.20 0.86 0.94 4.68 0.76 92.52 0.00 0.23 0.01 67 V C E 5.90 25.51 16.05 42.01 119.77 96.79 -97.60 137.51 49.66 47.37 2.97 38.58 9.48 1.44 1.45 1.63 0.01 40.59 6.81 68 Q E E 55.10 12.84 25.91 38.50 125.89 -166.07 -121.19 138.77 41.20 58.57 0.22 39.49 1.64 0.22 0.09 0.13 0.00 55.92 2.52 69 L E E 28.56 19.58 20.85 39.82 115.63 -125.03 -83.47 134.37 34.70 65.17 0.13 28.66 5.33 0.35 0.03 0.11 0.00 64.08 1.43 70 L E E 40.58 13.82 18.74 33.31 120.54 -154.47 -109.48 132.92 13.78 86.15 0.07 12.32 0.56 0.03 0.08 0.02 0.00 49.95 37.03 71 D C C 32.19 11.51 14.57 28.25 108.21 -128.35 -83.87 115.96 90.43 9.54 0.03 90.85 0.72 0.06 0.01 0.01 0.00 7.31 1.04 72 P C T 76.16 7.84 13.82 23.44 92.82 -154.31 -65.60 -25.73 99.72 0.06 0.22 0.43 4.06 95.24 0.01 0.22 0.00 0.03 0.02 73 K C T 154.91 1.31 14.56 15.70 96.99 48.26 -75.93 -37.86 99.66 0.07 0.27 0.19 3.34 96.15 0.00 0.26 0.00 0.03 0.02 74 T C T 76.24 3.50 12.80 17.43 101.56 22.83 -103.86 -13.68 99.57 0.14 0.28 1.08 5.94 92.53 0.01 0.32 0.00 0.08 0.04 75 N C C 107.57 5.27 12.36 19.68 95.05 -128.95 65.07 21.84 99.00 0.79 0.22 65.04 12.90 21.05 0.04 0.21 0.00 0.52 0.25 76 E C C 101.65 3.78 16.81 21.81 122.22 135.19 -92.01 144.86 85.29 14.66 0.05 60.84 25.07 0.37 0.01 0.05 0.00 12.44 1.22 77 P E E 68.90 9.47 16.67 26.93 113.98 -102.94 -66.02 143.99 10.70 89.23 0.07 9.79 0.58 0.04 0.08 0.02 0.00 53.67 35.81 78 T C E 22.28 18.13 15.02 33.18 130.50 -167.87 -127.43 152.96 50.96 49.00 0.04 48.43 1.79 0.10 0.01 0.03 0.00 49.11 0.53 79 R E E 93.69 9.89 23.24 33.51 120.29 -123.15 -100.40 136.54 17.90 82.08 0.02 16.25 1.32 0.06 0.00 0.02 0.00 81.61 0.73 80 V E E 22.06 20.80 16.72 37.11 119.06 -143.23 -101.65 133.79 8.00 91.99 0.00 7.59 0.24 0.01 0.00 0.00 0.00 92.02 0.14 81 G E E 11.92 11.35 21.96 34.34 139.62 161.67 -145.02 176.95 1.51 98.49 0.00 1.28 0.08 0.00 0.00 0.00 0.00 98.60 0.04 82 Y E E 90.99 14.48 16.49 30.83 128.96 -121.99 -130.00 144.35 1.14 98.86 0.00 0.98 0.05 0.00 0.00 0.00 0.00 98.95 0.02 83 K E E 84.90 7.80 17.18 26.28 132.40 -175.54 -135.63 153.38 1.15 98.85 0.00 0.94 0.07 0.01 0.00 0.00 0.00 98.97 0.01 84 F E E 116.28 6.85 13.01 21.61 115.40 -126.24 -96.78 126.39 3.33 96.67 0.01 2.73 0.24 0.02 0.00 0.00 0.00 96.96 0.04 85 V E E 62.12 8.34 9.02 19.05 120.53 176.81 -130.93 122.69 7.28 92.65 0.07 4.59 1.68 0.62 0.01 0.06 0.00 92.66 0.37 86 D C T 136.41 0.48 11.75 11.10 92.79 -14.70 52.04 42.69 99.57 0.29 0.14 0.46 4.15 95.02 0.00 0.13 0.00 0.21 0.02 87 G C T 65.35 0.77 11.10 11.68 94.52 -49.82 79.37 2.86 99.82 0.09 0.09 0.50 4.51 94.82 0.00 0.09 0.00 0.06 0.01 88 K E E 114.96 3.32 12.43 17.76 126.48 103.33 -116.07 146.98 5.23 94.76 0.01 3.48 1.31 0.08 0.00 0.01 0.00 94.97 0.16 89 K E E 104.34 7.90 13.91 23.36 114.32 -118.23 -82.51 130.28 1.33 98.67 0.00 1.14 0.04 0.00 0.00 0.00 0.00 98.80 0.02 90 V E E 23.30 13.75 15.63 31.08 129.90 -175.77 -127.86 148.50 0.68 99.32 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.38 0.00 91 R E E 60.90 12.84 20.21 33.87 116.32 -128.39 -96.51 130.89 0.31 99.69 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 92 I E E 23.77 14.43 19.54 35.22 127.99 -171.99 -124.59 144.38 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.79 0.04 93 A E E 10.50 15.87 15.01 32.83 110.33 -114.53 -72.39 128.56 6.83 93.16 0.01 6.64 0.14 0.01 0.00 0.00 0.00 92.79 0.41 94 K C T 102.56 9.14 17.05 27.21 94.04 -146.02 -65.71 -31.37 98.48 1.14 0.39 0.99 3.72 94.00 0.01 0.32 0.00 0.87 0.09 95 K C T 138.45 3.06 17.37 21.02 96.52 46.31 -76.02 -38.61 99.23 0.35 0.42 0.15 2.02 97.29 0.01 0.29 0.00 0.14 0.10 96 S C T 59.11 4.59 15.55 21.15 101.34 23.20 -105.66 -14.38 99.52 0.11 0.37 0.55 3.03 96.00 0.02 0.31 0.00 0.07 0.02 97 G C C 37.51 9.32 13.36 23.83 94.87 -122.57 79.42 7.79 99.36 0.50 0.14 86.33 6.58 6.44 0.03 0.11 0.00 0.34 0.16 98 E C C 95.20 4.48 17.20 23.18 117.66 145.10 -75.57 143.91 93.83 6.14 0.04 91.41 2.58 0.14 0.01 0.03 0.00 5.43 0.41 99 E E E 107.52 8.13 17.47 26.66 113.82 -111.53 -74.83 135.63 3.27 96.70 0.03 3.23 0.16 0.01 0.05 0.01 0.00 72.98 23.56 100 I E E 30.10 19.39 11.23 29.87 114.79 -149.34 -97.64 133.33 32.67 67.14 0.19 30.62 1.29 0.17 0.05 0.12 0.00 67.04 0.70 101 K C C 130.92 3.98 18.62 23.47 115.64 -132.20 -92.62 134.34 57.27 41.62 1.11 50.06 4.53 1.60 0.23 0.90 0.00 41.50 1.19 102 S C C 58.57 11.00 10.76 22.02 112.51 -145.61 -90.57 126.88 85.88 11.67 2.45 59.84 15.99 9.59 0.37 2.48 0.00 10.44 1.31 103 N C C 108.17 4.17 12.06 17.81 106.76 -165.75 -95.78 69.14 93.42 4.75 1.83 76.40 5.93 10.96 0.27 1.70 0.00 3.86 0.89 104 N C C 109.22 4.62 12.29 18.45 104.13 -104.59 -85.25 47.33 99.75 0.17 0.08 98.95 0.44 0.39 0.01 0.07 0.00 0.11 0.03