# 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 94.14 9.21 14.62 24.31 111.83 -161.11 -88.08 129.74 99.62 0.20 0.18 99.54 0.11 0.09 0.13 0.01 0.00 0.09 0.04 1 A C C 63.48 6.39 13.57 21.01 106.09 -118.21 -76.00 125.49 58.36 3.15 38.49 51.66 1.51 5.87 33.77 4.20 0.00 1.88 1.11 2 A H H 62.40 7.07 11.74 20.06 102.65 -113.00 -75.69 -13.52 45.22 4.55 50.23 29.01 7.53 9.87 40.96 8.26 0.05 3.21 1.11 3 A H H 64.37 5.95 12.66 19.98 103.29 61.13 -78.14 -2.83 37.67 5.50 56.83 23.91 6.74 8.36 45.31 10.28 0.06 4.27 1.07 4 A H H 63.58 5.67 13.72 20.58 103.86 69.02 -80.46 16.21 34.78 6.47 58.75 23.25 6.07 7.07 47.72 9.49 0.06 5.12 1.21 5 A H H 55.52 8.54 13.07 22.71 107.35 59.38 -83.80 76.67 37.47 8.63 53.91 25.02 6.34 7.64 45.18 7.30 0.08 6.93 1.52 6 I H H 80.15 10.42 12.83 23.89 107.87 69.42 -89.30 66.10 38.14 13.06 48.80 23.59 7.25 8.86 41.23 6.15 0.17 10.57 2.18 7 R C H 147.59 4.85 14.76 20.92 106.11 73.99 -86.26 61.07 46.95 10.67 42.39 21.87 9.82 16.00 36.22 5.65 0.32 8.00 2.11 8 G C C 43.72 5.97 15.09 22.02 108.58 26.88 59.03 -15.81 66.12 6.33 27.55 28.21 15.09 23.06 22.21 5.52 0.12 4.18 1.61 9 V C C 74.85 10.38 12.46 23.34 108.06 66.14 -88.18 83.06 64.25 9.02 26.73 31.54 14.41 19.31 18.62 7.57 0.18 5.54 2.83 10 R C C 145.09 5.89 14.97 22.17 105.86 66.18 -82.12 64.83 69.35 6.52 24.13 29.37 14.68 26.40 14.32 8.95 0.13 3.84 2.31 11 G C C 41.50 8.16 15.11 23.91 108.22 37.05 -62.28 -20.31 74.94 4.31 20.75 31.61 17.84 26.71 9.57 10.15 0.05 2.39 1.68 12 K C C 120.45 7.23 16.82 24.96 107.07 55.83 -88.67 72.71 77.00 6.23 16.77 39.29 18.27 20.33 6.88 9.35 0.03 3.67 2.18 13 L C C 68.74 13.78 16.83 30.09 107.61 83.59 -83.23 90.07 80.83 8.18 11.00 45.46 18.01 18.31 3.61 6.91 0.01 5.62 2.05 14 G C C 28.35 11.15 21.56 32.42 103.04 -111.91 78.57 6.66 86.00 10.30 3.70 55.99 14.47 15.59 0.88 2.79 0.00 8.78 1.51 15 L C C 17.52 22.94 14.36 36.61 115.19 134.33 -88.93 129.21 70.03 29.27 0.70 64.69 3.50 0.83 0.17 0.46 0.00 28.76 1.59 16 R C C 110.51 8.75 23.45 32.17 102.13 -173.38 -94.88 -28.56 62.08 37.59 0.32 40.18 20.84 1.18 0.05 0.27 0.00 36.77 0.71 17 E E E 58.26 11.64 24.16 35.96 132.21 11.30 -142.45 141.79 10.23 89.45 0.32 8.17 1.76 0.31 0.06 0.21 0.00 89.27 0.22 18 I E E 5.68 25.47 18.20 44.17 121.78 -160.21 -117.70 129.27 2.16 97.81 0.03 1.90 0.10 0.01 0.00 0.01 0.00 97.94 0.03 19 R E E 65.26 11.79 27.43 39.67 119.98 -164.73 -114.44 127.33 0.54 99.45 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.01 20 I E E 3.68 25.89 20.20 46.83 119.25 -163.81 -111.77 126.81 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 21 H E E 39.21 13.49 27.85 41.84 115.28 -163.55 -108.99 121.58 1.25 98.75 0.00 1.12 0.04 0.00 0.00 0.00 0.00 98.79 0.05 22 L E E 7.43 24.11 20.10 44.04 123.83 -169.11 -108.83 142.38 23.80 76.17 0.03 21.64 1.12 0.06 0.01 0.02 0.00 76.63 0.53 23 C C C 16.13 15.93 20.83 37.40 114.54 -136.68 -95.62 128.96 85.99 13.93 0.08 84.79 1.53 0.23 0.02 0.05 0.00 12.46 0.93 24 Q C S 78.35 12.78 18.53 31.44 98.37 -155.35 -79.00 -7.02 98.49 1.18 0.33 16.71 52.56 29.40 0.05 0.28 0.00 0.73 0.27 25 R C S 152.28 3.75 19.22 23.57 99.23 65.62 -89.96 -7.96 99.16 0.43 0.41 8.25 66.06 24.96 0.06 0.27 0.00 0.18 0.23 26 S C S 35.47 10.57 13.10 25.11 125.36 74.36 -112.30 150.07 99.29 0.42 0.29 41.59 57.13 0.56 0.10 0.12 0.00 0.10 0.41 27 P H G 103.08 2.84 17.97 21.56 92.69 -113.05 -61.26 -30.14 18.49 0.06 81.45 1.17 1.74 14.14 2.67 80.23 0.00 0.03 0.02 28 G H G 25.56 12.72 16.34 29.66 91.56 62.61 -69.31 -20.80 16.65 0.06 83.30 0.88 1.26 13.32 3.19 81.30 0.00 0.03 0.02 29 S H G 7.45 21.60 12.98 35.00 95.69 55.01 -95.53 -0.09 16.19 0.12 83.70 5.50 2.15 7.32 5.12 79.81 0.00 0.07 0.03 30 Q H H 97.37 6.43 21.92 29.64 92.76 100.89 -60.16 -39.86 5.70 0.01 94.29 0.87 0.70 4.02 93.04 1.36 0.01 0.00 0.01 31 G H H 25.50 8.19 23.14 31.99 92.23 47.99 -62.85 -41.24 3.41 0.00 96.58 0.19 0.26 2.99 95.69 0.86 0.01 0.00 0.00 32 V H H 5.20 24.41 18.70 42.95 92.00 50.88 -65.65 -42.20 0.67 0.00 99.33 0.10 0.05 0.41 98.98 0.46 0.00 0.00 0.00 33 R H H 64.21 16.61 21.40 36.87 91.57 52.81 -61.99 -42.62 0.18 0.00 99.81 0.03 0.01 0.09 99.79 0.08 0.00 0.00 0.00 34 D H H 75.01 2.92 25.54 27.51 91.34 49.97 -63.56 -41.94 0.30 0.00 99.70 0.04 0.02 0.16 99.74 0.05 0.00 0.00 0.00 35 F H H 19.58 15.80 19.86 36.52 91.63 50.39 -63.53 -43.63 0.34 0.00 99.66 0.03 0.02 0.21 99.68 0.05 0.00 0.00 0.00 36 I H H 4.56 25.29 16.06 41.50 91.50 48.58 -64.07 -42.71 0.55 0.00 99.45 0.05 0.03 0.39 99.45 0.08 0.00 0.00 0.00 37 E H H 101.46 7.89 20.07 28.43 92.47 48.29 -66.90 -38.93 1.82 0.00 98.18 0.06 0.07 1.67 97.98 0.22 0.00 0.00 0.00 38 K H H 129.95 2.18 21.24 22.53 99.18 35.12 -86.67 -35.99 13.74 0.00 86.26 0.10 0.30 14.54 84.47 0.57 0.01 0.00 0.00 39 R H H 69.04 13.33 17.66 31.06 104.82 24.39 -108.46 -26.44 40.13 0.02 59.85 0.38 0.97 38.39 59.46 0.76 0.01 0.00 0.01 40 Y H H 13.11 23.71 14.98 38.16 93.62 60.62 -65.81 -43.49 6.27 0.05 93.68 1.68 0.76 3.51 93.00 1.01 0.00 0.02 0.02 41 V H H 59.98 6.83 20.51 28.15 91.91 51.71 -62.82 -41.80 0.97 0.00 99.03 0.23 0.08 0.51 98.81 0.37 0.00 0.00 0.00 42 E H H 99.49 2.89 22.88 24.90 91.95 49.97 -64.73 -40.73 0.37 0.00 99.63 0.07 0.02 0.21 99.40 0.30 0.00 0.00 0.00 43 L H H 11.27 19.26 15.21 34.97 92.15 50.60 -64.98 -41.87 0.20 0.00 99.80 0.02 0.01 0.12 99.62 0.22 0.00 0.00 0.00 44 K H H 69.15 14.95 15.07 29.67 91.67 53.01 -64.26 -36.78 0.59 0.00 99.41 0.05 0.03 0.43 99.20 0.28 0.00 0.00 0.00 45 K H H 153.97 1.25 18.76 18.97 92.38 51.06 -66.80 -35.94 3.31 0.00 96.69 0.09 0.14 3.04 96.43 0.30 0.00 0.00 0.00 46 A H H 63.83 5.08 16.45 22.33 95.35 43.35 -78.29 -30.43 7.50 0.02 92.48 0.19 0.81 6.42 92.36 0.19 0.01 0.00 0.01 47 N C C 37.69 13.60 11.54 25.91 114.21 19.93 -135.96 81.08 99.83 0.10 0.07 87.98 11.61 0.21 0.04 0.01 0.00 0.02 0.12 48 P C T 89.20 6.17 13.80 22.33 92.55 176.88 -65.99 -19.74 99.67 0.06 0.27 1.31 2.89 95.53 0.02 0.20 0.00 0.03 0.02 49 D C T 116.61 1.66 19.04 20.37 92.79 60.65 -86.01 -4.65 99.79 0.05 0.17 0.59 4.00 95.22 0.01 0.14 0.00 0.03 0.01 50 L C S 17.39 21.35 10.90 31.96 115.66 101.82 -84.21 129.91 99.39 0.59 0.02 19.27 80.18 0.15 0.00 0.01 0.00 0.27 0.11 51 P C C 59.42 6.54 24.52 31.51 113.11 -119.33 -69.80 139.02 96.82 3.18 0.00 96.05 1.06 0.02 0.00 0.00 0.00 2.73 0.14 52 I E E 19.70 24.36 13.49 37.64 121.45 -158.22 -117.14 130.49 7.76 92.24 0.00 7.51 0.23 0.00 0.00 0.00 0.00 91.74 0.51 53 L E E 56.50 8.97 25.08 34.55 118.24 -164.02 -110.92 129.02 0.47 99.53 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 54 I E E 48.81 20.66 16.11 35.65 120.73 -159.23 -112.07 128.15 0.30 99.70 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.70 0.01 55 R E E 95.31 8.11 22.36 31.24 130.33 174.41 -133.47 145.05 0.56 99.44 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.41 0.02 56 E E E 100.47 10.61 18.16 29.17 115.16 -126.29 -80.79 135.02 5.13 94.87 0.00 4.99 0.13 0.01 0.00 0.00 0.00 94.65 0.22 57 C C C 24.74 17.44 11.60 28.83 119.40 -163.73 -116.82 130.03 74.54 25.34 0.11 73.76 0.84 0.15 0.02 0.08 0.00 24.39 0.76 58 S C T 80.02 3.12 16.47 20.59 106.83 -154.99 -91.79 66.02 92.90 6.43 0.68 30.65 28.85 33.83 0.07 0.76 0.00 5.10 0.76 59 D C S 119.97 1.68 17.32 18.68 98.36 18.23 -79.50 19.24 97.21 2.39 0.40 12.82 47.91 36.57 0.02 0.50 0.00 1.84 0.33 60 V C C 44.16 14.82 12.39 27.48 120.44 110.55 -102.02 137.04 94.80 5.04 0.16 72.50 22.04 0.69 0.03 0.15 0.00 2.72 1.87 61 Q C C 87.04 7.57 22.68 30.50 117.88 -131.95 -96.49 140.69 97.12 2.86 0.02 86.05 11.07 0.25 0.00 0.02 0.00 2.27 0.33 62 P C C 15.46 21.76 16.15 37.91 113.95 -104.53 -68.26 142.53 92.05 7.93 0.02 80.55 10.88 0.22 0.00 0.02 0.00 8.04 0.29 63 K E E 65.18 11.71 25.40 37.29 133.35 -167.78 -136.23 147.67 2.42 97.57 0.00 2.30 0.10 0.00 0.00 0.00 0.00 97.39 0.22 64 L E E 5.27 25.14 18.61 44.40 121.37 -150.70 -112.23 132.36 0.35 99.65 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 65 W E E 56.43 11.30 26.26 38.35 121.46 -162.06 -113.69 133.45 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 66 A E E 3.61 24.14 17.21 41.81 130.66 -173.98 -129.51 148.52 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 67 R E E 74.26 8.88 23.59 33.33 116.82 -140.30 -106.08 126.06 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.82 0.01 68 Y C C 23.96 18.08 13.39 31.83 124.58 -153.93 -92.95 165.54 54.80 45.14 0.06 55.01 0.38 0.06 0.01 0.03 0.00 43.92 0.60 69 A C T 61.71 8.42 15.34 24.84 92.36 -97.93 -63.25 -25.05 98.20 0.40 1.40 0.24 2.57 95.56 0.01 1.34 0.00 0.23 0.04 70 F C T 135.95 3.55 14.95 19.36 95.80 54.74 -89.16 4.48 98.47 0.07 1.46 0.18 2.10 96.22 0.02 1.43 0.00 0.03 0.02 71 G C S 45.36 4.28 14.41 19.94 102.41 -96.58 92.99 2.74 98.79 0.37 0.83 18.39 77.14 3.36 0.09 0.65 0.00 0.20 0.15 72 Q C C 101.66 3.85 15.50 20.81 117.17 134.80 -79.58 143.56 96.94 3.04 0.02 96.98 0.55 0.04 0.01 0.01 0.00 2.12 0.29 73 E E E 102.35 11.39 12.69 25.03 123.94 -151.60 -114.65 138.61 1.61 98.39 0.00 1.53 0.05 0.00 0.00 0.00 0.00 98.24 0.17 74 K E E 81.30 9.10 18.05 28.43 130.90 -176.04 -135.49 146.87 0.26 99.74 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 75 N E E 84.58 11.76 16.55 29.16 124.66 -153.13 -121.02 137.08 0.34 99.66 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 76 V E E 28.32 15.32 17.41 33.62 125.94 -173.81 -129.21 133.81 0.79 99.21 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.23 0.02 77 S E E 55.54 6.72 23.20 30.27 112.78 -119.85 -75.01 131.72 5.85 94.14 0.01 5.60 0.19 0.02 0.00 0.00 0.00 93.97 0.21 78 L C C 7.05 24.76 13.13 38.65 98.74 -167.85 -98.25 -1.58 87.27 6.54 6.19 72.44 6.26 7.90 0.59 6.47 0.00 5.38 0.96 79 N C T 75.38 10.68 18.26 29.39 111.42 112.12 -70.29 131.69 95.06 0.83 4.11 2.81 8.09 83.80 0.25 4.22 0.00 0.52 0.31 80 N C T 125.39 2.08 20.67 22.35 94.59 11.73 66.23 20.51 96.34 0.42 3.24 4.09 9.75 81.87 0.17 3.72 0.00 0.27 0.13 81 F C C 39.82 17.27 10.92 28.17 121.61 129.28 -92.41 144.99 97.31 2.53 0.16 72.96 24.22 0.22 0.07 0.08 0.00 0.79 1.67 82 S C C 52.56 3.15 23.22 25.34 121.28 -121.89 -79.29 161.13 98.18 1.73 0.10 97.88 0.54 0.04 0.06 0.01 0.00 0.31 1.17 83 A H H 33.09 18.18 13.49 31.22 91.53 -107.17 -57.81 -38.68 0.78 0.00 99.22 0.08 0.08 0.49 99.11 0.24 0.00 0.00 0.00 84 D H H 102.43 2.12 21.24 22.99 91.40 53.48 -63.67 -39.61 0.33 0.00 99.67 0.02 0.02 0.22 99.49 0.24 0.00 0.00 0.00 85 Q H H 79.98 6.06 21.25 27.75 91.85 48.79 -66.17 -40.19 0.12 0.00 99.88 0.01 0.00 0.07 99.73 0.18 0.00 0.00 0.00 86 V H H 3.06 25.15 15.73 41.34 91.82 50.18 -63.58 -44.20 0.07 0.00 99.93 0.01 0.00 0.03 99.92 0.03 0.00 0.00 0.00 87 T H H 29.99 15.02 20.90 35.87 91.36 50.52 -62.60 -42.73 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 88 R H H 136.48 2.00 25.90 26.34 91.59 50.08 -63.89 -41.58 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 89 A H H 14.95 14.25 20.80 35.84 91.63 49.99 -63.92 -42.68 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 90 L H H 4.20 25.69 17.77 43.66 91.59 50.01 -63.60 -42.99 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 91 E H H 87.98 8.66 22.14 31.10 91.27 50.85 -62.94 -41.20 0.38 0.00 99.62 0.04 0.02 0.25 99.62 0.07 0.00 0.00 0.00 92 N H H 90.97 2.79 23.73 25.70 91.84 49.89 -65.55 -40.32 1.90 0.00 98.09 0.15 0.10 1.45 98.09 0.22 0.00 0.00 0.00 93 V H H 16.99 18.28 17.03 35.42 92.37 49.72 -66.08 -40.84 5.05 0.02 94.94 0.46 0.38 3.83 94.90 0.42 0.00 0.01 0.01 94 L H H 38.57 17.53 15.76 32.82 92.71 51.97 -68.53 -30.41 17.99 0.18 81.83 3.23 2.51 11.95 81.27 0.86 0.03 0.06 0.10 95 S C H 83.15 2.21 18.75 20.81 95.94 52.67 -84.82 -5.35 50.86 0.82 48.32 12.18 7.51 30.62 47.35 1.56 0.04 0.30 0.43 96 S C C 53.03 9.30 10.22 20.71 113.89 94.86 -81.00 141.79 76.09 2.09 21.82 34.77 20.99 19.68 20.18 2.52 0.02 0.85 1.00 97 K C C 153.75 2.28 13.43 17.08 112.21 -130.53 -88.64 132.52 89.23 2.63 8.14 78.57 2.03 8.63 6.78 1.26 0.00 1.31 1.41 98 A C C 66.89 8.51 11.44 20.98 111.01 -112.27 -73.88 137.00 99.93 0.05 0.02 99.87 0.06 0.03 0.01 0.00 0.00 0.03 0.01