# 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 83.42 10.19 13.16 24.27 122.05 -161.42 -107.33 139.24 99.26 0.72 0.02 99.27 0.17 0.05 0.01 0.00 0.00 0.44 0.05 1 Q E B 105.52 4.89 12.23 18.85 120.20 -157.61 -106.74 138.37 37.24 61.41 1.35 32.93 1.57 0.51 1.10 0.33 0.00 22.03 41.54 2 S C C 51.93 7.96 8.45 17.64 116.78 -140.31 -88.76 160.14 74.57 22.21 3.22 63.28 6.24 3.66 1.25 2.06 0.00 17.66 5.86 3 N C T 131.23 1.49 10.35 12.72 97.60 -102.87 -75.48 -12.33 79.68 10.77 9.55 11.68 17.00 51.50 1.29 8.28 0.03 8.12 2.10 4 A C T 82.24 2.04 9.97 12.99 98.52 54.61 -86.99 3.22 89.73 1.48 8.79 4.17 13.47 71.82 0.86 8.12 0.00 0.95 0.60 5 G C S 51.56 3.14 10.94 15.61 99.79 -99.87 84.60 5.04 89.49 4.78 5.73 16.90 49.70 23.00 0.60 5.20 0.01 3.18 1.42 6 E C C 111.30 3.97 11.12 17.05 119.27 131.74 -95.85 141.65 81.66 17.08 1.26 60.25 17.27 3.89 0.44 0.97 0.00 12.71 4.47 7 F E C 124.10 6.22 11.59 19.59 117.37 -138.05 -100.66 131.95 43.26 55.65 1.09 33.16 6.64 1.28 0.69 0.60 0.01 31.31 26.32 8 V C C 65.58 9.71 11.69 22.79 120.86 -161.91 -110.49 134.44 68.22 31.10 0.68 59.29 6.13 1.29 0.28 0.46 0.00 28.71 3.85 9 D C C 81.23 6.77 14.30 22.47 112.27 -143.26 -94.64 119.70 74.18 24.92 0.90 63.84 7.18 2.08 0.33 0.64 0.00 21.87 4.06 10 L C C 89.61 9.29 12.81 23.10 100.87 -163.68 -84.30 -2.59 79.74 18.12 2.14 35.76 28.36 17.11 0.55 1.61 0.01 13.81 2.80 11 Y C S 137.34 6.03 15.23 22.21 100.86 76.68 -90.95 8.87 80.11 18.35 1.54 28.69 36.46 16.52 0.36 1.22 0.01 13.26 3.49 12 V C S 59.44 9.94 12.55 23.95 115.21 93.46 -103.81 118.82 82.01 17.31 0.68 39.87 42.04 1.66 0.31 0.39 0.00 12.13 3.60 13 P C C 66.65 7.38 15.05 23.86 110.08 -117.80 -66.38 140.65 81.65 12.76 5.58 71.94 5.71 3.47 1.99 3.59 0.00 10.02 3.29 14 R C G 132.45 8.93 12.92 22.68 97.02 -129.81 -68.94 -24.97 54.53 9.31 36.17 27.32 14.38 15.34 6.56 27.75 0.08 5.92 2.64 15 K C G 138.43 3.06 16.22 20.24 95.51 67.35 -72.58 -18.66 47.35 15.18 37.47 18.86 14.99 18.32 7.25 26.51 0.31 10.29 3.46 16 C C C 59.11 9.37 13.15 23.60 100.48 54.85 -92.64 0.48 46.92 19.86 33.23 25.29 12.46 12.23 7.18 23.84 0.34 12.48 6.18 17 S C C 34.08 12.82 10.65 23.99 116.72 94.70 -96.80 135.83 70.06 24.23 5.70 53.68 10.21 4.19 2.99 2.95 0.03 11.92 14.04 18 A C T 84.87 3.02 14.72 18.72 96.02 -147.26 -73.32 -17.53 86.45 3.92 9.64 12.34 23.04 51.73 2.72 6.11 0.03 2.40 1.62 19 S C T 72.79 3.71 14.59 19.16 100.73 57.83 -92.34 0.86 89.14 2.19 8.66 7.87 27.16 54.94 2.01 5.70 0.01 1.29 1.01 20 N C S 87.07 9.29 12.47 22.51 104.90 -117.31 -51.39 46.57 87.01 5.88 7.11 32.14 37.81 17.66 1.53 5.22 0.01 3.30 2.33 21 R C C 133.80 5.61 15.46 22.49 111.66 143.94 -100.60 112.54 81.69 15.54 2.77 61.50 13.41 6.12 0.99 1.93 0.00 10.32 5.73 22 I C C 81.40 10.35 13.69 24.78 112.73 -125.44 -94.06 119.43 64.29 33.99 1.72 53.38 7.88 1.91 0.93 0.94 0.01 20.05 14.90 23 I C C 70.87 10.05 12.53 23.71 119.24 -162.34 -108.52 132.81 66.47 31.40 2.13 47.77 14.04 3.32 1.21 1.24 0.04 21.88 10.50 24 G C C 34.39 5.59 13.77 20.59 124.93 -151.99 -100.91 170.60 76.02 20.05 3.93 48.35 19.73 8.37 1.54 2.52 0.03 12.63 6.84 25 A C T 79.90 4.18 11.19 16.99 95.83 -90.22 -67.02 -25.64 81.14 2.83 16.02 10.31 23.15 48.61 3.16 11.70 0.04 1.59 1.44 26 K C T 163.43 1.15 13.75 14.46 99.16 48.91 -85.82 -6.37 82.23 2.59 15.18 8.34 21.29 53.14 2.58 11.79 0.03 1.50 1.32 27 D C S 84.08 6.36 12.04 19.59 108.04 34.32 -101.10 44.31 69.99 14.65 15.36 23.67 24.87 23.75 3.11 10.68 0.21 7.54 6.18 28 H C C 88.09 9.74 12.34 22.80 110.16 56.52 -98.98 100.42 68.79 19.29 11.92 44.74 11.66 12.10 2.95 9.13 0.04 11.45 7.95 29 A C C 54.61 8.95 14.82 24.74 98.05 -166.15 -75.10 -16.34 75.47 13.45 11.08 30.38 22.41 24.46 1.56 9.05 0.03 9.70 2.40 30 S C C 56.71 8.33 16.83 25.79 111.24 60.39 -95.85 110.23 61.58 30.17 8.26 31.49 13.85 17.95 0.97 7.10 0.02 26.70 1.93 31 I E E 58.10 12.01 15.40 28.40 117.16 122.53 -100.88 125.54 32.43 67.39 0.18 26.60 5.76 0.35 0.05 0.15 0.00 65.13 1.96 32 P E E 68.81 9.18 17.86 27.89 116.17 -138.57 -82.43 137.07 15.10 84.86 0.04 14.59 0.59 0.04 0.02 0.02 0.00 82.69 2.04 33 M E E 57.81 14.83 14.92 30.02 124.54 -167.41 -122.40 136.76 17.34 82.62 0.04 16.28 0.72 0.05 0.02 0.02 0.00 81.37 1.54 34 N E E 80.15 7.82 19.35 28.02 111.78 -131.35 -87.34 121.99 16.52 83.45 0.03 15.21 0.99 0.07 0.01 0.02 0.00 83.15 0.56 35 V E E 43.27 15.16 15.83 31.09 104.09 174.73 -101.14 -15.88 11.06 88.85 0.09 9.64 1.24 0.14 0.02 0.07 0.00 88.16 0.73 36 A E E 25.42 13.30 15.59 29.73 133.44 11.52 -136.25 156.44 8.27 91.68 0.05 6.83 1.22 0.10 0.01 0.04 0.00 91.55 0.24 37 E E E 108.84 4.90 20.13 25.76 117.63 -126.01 -95.34 134.66 4.21 95.77 0.03 3.50 0.58 0.07 0.00 0.02 0.00 95.69 0.14 38 V E E 48.27 14.23 10.17 24.80 120.95 -155.14 -109.44 133.77 3.93 96.04 0.03 3.56 0.37 0.02 0.02 0.01 0.00 88.26 7.76 39 D C C 64.98 4.80 12.26 19.27 108.21 -124.16 -79.74 119.36 84.39 15.58 0.02 84.99 0.45 0.07 0.00 0.01 0.00 13.87 0.61 40 K C T 152.20 2.95 10.38 15.59 92.97 -155.35 -66.27 -26.52 99.74 0.07 0.19 0.21 3.22 96.37 0.01 0.14 0.00 0.04 0.01 41 V C T 131.53 0.48 12.12 11.06 97.78 46.45 -77.16 -38.98 99.75 0.06 0.20 0.10 2.56 97.15 0.00 0.14 0.00 0.03 0.01 42 T C T 88.27 1.71 12.39 14.21 100.02 22.94 -103.90 -15.32 99.82 0.05 0.14 0.39 3.00 96.46 0.00 0.11 0.00 0.03 0.01 43 G C C 31.49 9.07 10.24 20.98 95.15 -122.44 78.29 8.32 99.36 0.45 0.19 77.36 7.79 14.21 0.04 0.14 0.00 0.32 0.13 44 R C C 124.01 3.28 16.25 20.76 119.45 138.19 -84.87 145.00 72.16 27.77 0.07 65.64 6.43 0.25 0.02 0.06 0.00 21.76 5.84 45 F E E 78.22 14.21 9.94 24.27 111.48 -112.16 -76.44 130.72 3.02 96.96 0.01 2.72 0.15 0.01 0.02 0.00 0.00 72.50 24.59 46 N E E 92.04 4.53 16.02 21.57 100.54 -171.35 -94.53 -0.30 34.19 65.71 0.10 27.49 4.81 0.77 0.01 0.11 0.00 66.35 0.46 47 G E E 49.41 4.12 14.54 19.89 97.52 -102.48 83.50 1.80 46.48 53.30 0.22 12.32 30.27 3.25 0.01 0.24 0.00 53.56 0.35 48 Q E E 106.44 4.31 16.33 22.00 118.33 103.24 -102.68 135.48 40.95 58.76 0.30 27.91 10.34 1.82 0.03 0.31 0.00 59.16 0.43 49 S E E 48.85 14.93 12.18 26.69 128.13 -169.58 -127.47 148.43 22.48 77.47 0.05 19.23 2.51 0.14 0.01 0.04 0.00 77.63 0.45 50 K E E 91.24 8.66 20.20 29.50 127.90 -168.86 -127.91 142.50 3.74 96.25 0.00 3.46 0.16 0.01 0.00 0.00 0.00 96.22 0.14 51 T E E 53.83 14.49 18.45 32.75 121.17 -140.72 -102.11 136.97 2.06 97.94 0.00 1.95 0.05 0.00 0.00 0.00 0.00 97.93 0.07 52 Y E E 32.11 17.58 20.27 37.90 130.20 -173.05 -131.55 146.93 2.22 97.78 0.00 2.07 0.07 0.00 0.00 0.00 0.00 97.70 0.15 53 A E E 23.41 15.91 24.53 40.30 119.60 -136.94 -103.61 134.47 5.31 94.68 0.01 4.92 0.25 0.01 0.00 0.01 0.00 94.63 0.18 54 I E E 9.84 22.51 20.84 43.21 119.95 -160.87 -111.45 128.11 15.78 84.15 0.06 15.49 0.37 0.03 0.03 0.03 0.00 81.71 2.34 55 C C C 23.86 15.35 21.73 36.89 122.74 -157.30 -93.25 165.80 73.11 24.66 2.22 70.61 2.28 0.37 2.06 0.31 0.00 22.90 1.46 56 G H H 29.21 9.09 21.92 31.39 94.57 -58.57 -54.83 -46.13 8.82 0.10 91.07 1.07 1.72 6.21 86.55 4.28 0.06 0.06 0.04 57 A H H 45.48 6.28 21.76 28.68 91.82 50.55 -65.11 -37.64 3.48 0.05 96.47 0.46 0.41 2.56 91.78 4.74 0.02 0.03 0.01 58 I H H 14.53 19.18 14.94 34.31 92.04 51.25 -66.04 -40.77 2.00 0.05 97.95 0.40 0.26 1.28 91.72 6.28 0.01 0.04 0.01 59 R H H 85.13 14.15 15.22 29.15 91.46 53.28 -63.23 -39.80 4.18 0.09 95.73 0.91 0.51 2.70 90.05 5.73 0.03 0.06 0.03 60 R H H 172.15 1.60 17.92 19.33 91.28 53.57 -67.14 -30.17 19.29 0.13 80.58 1.33 1.47 16.63 75.59 4.74 0.09 0.07 0.07 61 M C T 106.04 5.03 15.27 21.29 94.54 53.22 -86.14 -4.58 65.22 0.22 34.57 1.70 4.28 58.02 32.92 2.77 0.04 0.08 0.19 62 G C T 46.70 4.76 17.13 22.94 98.09 -107.55 82.03 8.12 97.95 0.39 1.66 8.11 12.35 77.68 1.10 0.42 0.00 0.18 0.17 63 E C C 75.99 11.10 17.01 28.56 101.24 116.19 -95.90 26.82 95.99 0.86 3.15 85.73 6.71 3.56 2.30 0.73 0.00 0.35 0.61 64 S C C 23.65 18.62 16.07 33.87 97.41 100.24 -71.20 -39.81 75.04 0.72 24.24 62.69 6.47 4.26 24.52 1.40 0.00 0.24 0.42 65 D H H 67.22 12.53 21.01 32.84 92.94 54.73 -64.78 -39.83 9.92 0.06 90.02 3.91 2.14 3.96 88.94 0.99 0.01 0.02 0.03 66 D H H 77.53 4.18 24.68 28.64 92.18 51.26 -65.60 -40.77 2.44 0.01 97.55 0.70 0.30 1.26 97.02 0.70 0.00 0.00 0.00 67 S H H 15.35 15.24 20.48 36.16 91.93 51.01 -64.42 -43.08 1.16 0.00 98.83 0.35 0.12 0.60 98.17 0.74 0.00 0.00 0.00 68 I H H 11.06 22.87 20.51 42.55 91.57 49.56 -63.98 -43.10 0.39 0.00 99.61 0.08 0.03 0.23 99.46 0.20 0.00 0.00 0.00 69 L H H 55.50 11.52 22.67 34.30 91.53 50.50 -63.48 -42.17 0.27 0.00 99.72 0.05 0.02 0.16 99.68 0.09 0.00 0.00 0.00 70 R H H 112.35 4.33 25.06 29.16 91.58 50.08 -63.84 -42.30 0.33 0.00 99.67 0.04 0.02 0.22 99.62 0.10 0.00 0.00 0.00 71 L H H 19.88 15.74 19.93 36.30 91.91 49.28 -64.11 -43.27 0.23 0.00 99.77 0.03 0.02 0.16 99.71 0.09 0.00 0.00 0.00 72 A H H 7.35 18.37 15.86 35.03 91.78 49.87 -63.42 -42.91 0.31 0.00 99.69 0.04 0.02 0.21 99.58 0.15 0.00 0.00 0.00 73 K H H 116.42 4.43 18.37 23.71 91.96 48.89 -64.21 -41.50 0.58 0.00 99.42 0.04 0.02 0.47 99.04 0.42 0.00 0.00 0.00 74 S H H 76.38 3.28 17.41 21.31 91.25 51.79 -65.85 -32.41 3.58 0.00 96.42 0.06 0.07 3.70 95.71 0.45 0.00 0.00 0.00 75 H C T 86.60 9.23 13.71 24.17 93.29 48.12 -91.32 0.57 78.22 0.02 21.77 0.19 0.64 77.02 21.68 0.44 0.00 0.00 0.01 76 G C T 56.35 2.05 17.87 20.01 94.06 -114.65 76.12 16.19 99.82 0.01 0.18 0.45 1.29 98.16 0.07 0.02 0.00 0.00 0.00 77 I C S 48.55 13.11 14.78 28.72 96.89 120.77 -86.47 -24.32 98.43 1.43 0.14 18.30 78.82 1.61 0.06 0.05 0.00 0.74 0.41 78 V C S 24.21 18.10 11.41 29.36 131.04 32.96 -131.83 147.85 84.06 15.60 0.34 16.14 67.68 1.72 0.14 0.16 0.00 7.34 6.82 79 S C C 51.01 5.55 15.75 22.63 117.03 -107.68 -73.40 152.77 91.23 7.96 0.81 85.27 4.57 1.42 0.17 0.64 0.00 6.21 1.72 80 Q C T 134.30 4.35 12.15 18.47 94.56 -112.78 -65.25 -22.92 94.64 3.45 1.92 20.91 32.14 41.64 0.23 1.93 0.00 2.38 0.79 81 N C C 125.94 1.37 13.93 15.28 99.86 61.43 -89.34 24.85 97.17 1.60 1.23 50.28 7.69 39.15 0.17 1.16 0.00 1.16 0.39 82 F C C 78.42 13.89 9.76 23.21 106.51 144.73 -80.29 78.76 99.71 0.27 0.02 99.58 0.20 0.04 0.00 0.00 0.00 0.14 0.04