# 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 104.76 7.71 14.53 23.21 111.96 -153.43 -89.01 126.01 99.92 0.08 0.00 99.91 0.04 0.01 0.00 0.00 0.00 0.04 0.00 1 R C C 110.78 9.35 14.39 24.66 118.65 -159.96 -100.52 136.30 65.14 34.79 0.07 63.92 0.74 0.21 0.02 0.04 0.00 34.02 1.05 2 K E E 100.82 8.76 18.16 27.62 120.34 -143.24 -102.44 136.43 32.96 66.98 0.06 29.29 2.47 0.22 0.01 0.05 0.00 67.33 0.62 3 Y E E 25.82 19.90 15.53 35.38 129.47 -169.10 -124.43 147.04 8.98 91.01 0.02 8.43 0.40 0.03 0.00 0.01 0.00 90.87 0.26 4 E E E 47.95 12.66 24.13 37.12 121.83 -148.74 -110.87 135.42 3.95 96.05 0.01 3.60 0.22 0.01 0.00 0.00 0.00 96.11 0.05 5 V E E 8.18 23.18 20.43 43.52 123.95 -164.33 -118.00 133.72 2.17 97.82 0.00 2.08 0.06 0.00 0.00 0.00 0.00 97.83 0.03 6 M E E 22.55 17.73 25.54 42.89 123.39 -164.23 -116.80 134.16 1.08 98.92 0.00 1.00 0.04 0.00 0.00 0.00 0.00 98.95 0.01 7 Y E E 9.91 23.69 24.23 47.20 125.02 -166.82 -119.73 134.63 0.29 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 8 I E E 13.63 20.09 27.00 46.45 116.67 -158.08 -107.26 124.72 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.78 0.00 9 I E E 6.73 23.51 20.75 44.12 128.22 -174.96 -122.71 144.98 1.78 98.22 0.00 1.78 0.03 0.00 0.00 0.00 0.00 97.97 0.21 10 R C C 60.82 12.46 21.85 34.74 111.52 -110.09 -73.52 132.44 82.61 17.38 0.01 82.91 0.42 0.02 0.00 0.00 0.00 16.39 0.26 11 P C T 50.87 13.94 15.58 30.00 92.87 -122.57 -62.83 -25.05 97.81 1.61 0.58 3.50 9.01 85.27 0.02 0.61 0.00 1.45 0.13 12 N C T 122.97 1.56 20.18 20.94 93.42 59.71 -86.20 2.78 99.10 0.40 0.50 3.95 9.62 85.51 0.03 0.55 0.00 0.28 0.06 13 I C C 32.53 17.62 7.92 24.70 118.99 111.57 -80.75 143.03 98.65 1.01 0.34 50.72 47.56 0.39 0.15 0.14 0.00 0.28 0.76 14 D C C 93.99 1.64 18.21 18.45 116.51 -104.66 -69.92 152.82 99.76 0.08 0.16 99.38 0.37 0.08 0.09 0.01 0.00 0.02 0.04 15 E H H 130.20 4.66 11.91 18.75 91.76 -109.00 -57.61 -39.05 2.18 0.00 97.82 0.37 0.30 1.24 97.52 0.56 0.00 0.00 0.00 16 E H H 141.45 0.92 16.71 15.97 92.11 51.81 -64.44 -39.88 1.27 0.00 98.73 0.14 0.11 0.88 98.16 0.71 0.00 0.00 0.00 17 S H H 41.49 6.89 15.24 23.81 92.21 48.65 -66.04 -39.87 0.74 0.00 99.26 0.15 0.06 0.42 98.65 0.72 0.00 0.00 0.00 18 K H H 45.82 17.18 13.60 30.37 91.55 51.84 -62.97 -42.25 0.47 0.00 99.53 0.11 0.04 0.22 99.46 0.17 0.00 0.00 0.00 19 K H H 116.03 3.88 20.90 25.23 91.55 50.57 -63.82 -41.17 0.45 0.00 99.55 0.08 0.03 0.22 99.62 0.06 0.00 0.00 0.00 20 A H H 48.51 3.09 22.10 24.70 91.44 50.43 -63.73 -41.87 0.47 0.00 99.53 0.07 0.02 0.27 99.59 0.05 0.00 0.00 0.00 21 V H H 13.52 18.32 18.70 37.24 91.79 49.44 -64.02 -43.22 0.33 0.00 99.67 0.05 0.02 0.18 99.72 0.03 0.00 0.00 0.00 22 I H H 22.75 19.04 19.28 37.94 91.42 50.23 -62.73 -43.00 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 23 E H H 109.59 2.69 24.48 26.37 91.39 50.56 -63.79 -41.51 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 24 R H H 100.79 7.22 23.09 30.55 91.67 49.61 -64.56 -41.79 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 25 F H H 5.70 25.08 18.21 43.23 91.72 49.24 -64.62 -42.98 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 26 N H H 50.95 14.80 20.63 34.81 91.33 52.12 -62.55 -40.80 0.54 0.00 99.46 0.05 0.03 0.35 99.55 0.04 0.00 0.00 0.00 27 N H H 91.99 2.06 24.97 25.23 91.93 50.89 -65.31 -40.71 1.27 0.00 98.73 0.10 0.06 0.90 98.87 0.07 0.00 0.00 0.00 28 V H H 23.04 13.34 20.08 34.32 91.90 49.70 -64.51 -43.21 0.97 0.00 99.03 0.09 0.07 0.66 99.05 0.12 0.00 0.00 0.00 29 L H H 4.59 25.05 14.01 39.26 92.01 49.44 -64.41 -42.59 1.43 0.02 98.55 0.23 0.13 0.94 98.09 0.59 0.00 0.01 0.00 30 T H H 78.99 6.70 18.62 26.24 92.56 50.31 -65.43 -39.98 2.24 0.01 97.75 0.28 0.14 1.68 96.50 1.38 0.00 0.01 0.00 31 S H H 88.59 1.38 19.66 20.14 90.62 55.17 -67.04 -24.90 11.84 0.02 88.14 0.25 0.37 11.87 86.25 1.22 0.02 0.01 0.01 32 N C T 55.49 12.87 14.64 28.20 94.74 49.92 -94.87 6.35 87.74 0.03 12.23 0.19 1.06 86.94 11.11 0.67 0.00 0.01 0.03 33 G C T 44.01 3.75 22.75 26.81 97.95 -99.57 90.40 10.03 99.90 0.01 0.09 0.55 1.16 98.24 0.02 0.01 0.00 0.01 0.00 34 A C C 7.27 24.15 9.67 33.10 121.30 136.51 -86.96 150.56 90.28 9.71 0.01 89.34 0.93 0.04 0.00 0.01 0.00 9.54 0.15 35 E E E 108.37 3.28 25.29 28.35 118.59 -141.90 -107.77 135.59 14.67 85.31 0.02 13.96 0.43 0.03 0.01 0.01 0.00 85.37 0.20 36 I E E 55.12 19.65 12.72 31.55 110.37 -124.35 -79.64 122.12 1.36 98.63 0.00 1.42 0.03 0.00 0.00 0.00 0.00 98.51 0.04 37 T E E 72.53 5.50 18.79 25.44 101.27 175.70 -98.17 -26.47 2.07 97.92 0.01 1.44 0.34 0.03 0.00 0.00 0.00 98.17 0.01 38 G E E 28.56 4.95 22.12 28.03 143.86 -19.67 -169.45 164.09 1.18 98.81 0.00 0.82 0.16 0.02 0.00 0.00 0.00 98.99 0.01 39 T E E 55.85 18.90 11.94 29.56 129.65 -153.73 -137.88 140.36 1.45 98.54 0.00 1.26 0.06 0.00 0.00 0.00 0.00 98.66 0.01 40 K E E 105.60 4.79 20.33 26.31 126.30 -173.23 -132.87 136.68 1.92 98.07 0.01 1.57 0.14 0.01 0.00 0.00 0.00 98.25 0.02 41 D E E 93.64 7.08 15.55 24.37 112.33 -123.31 -84.04 126.01 4.76 95.23 0.01 4.15 0.23 0.02 0.00 0.01 0.00 95.55 0.04 42 W E E 94.08 12.01 13.22 26.01 101.75 175.01 -103.00 -2.58 13.93 85.89 0.18 12.38 0.81 0.19 0.06 0.08 0.00 86.32 0.16 43 G E E 31.19 3.76 18.62 23.16 128.00 -123.61 92.17 -166.98 11.93 87.85 0.22 6.94 4.39 0.76 0.06 0.14 0.00 87.55 0.18 44 K E E 131.72 5.88 15.10 22.80 116.48 -35.47 -88.33 135.03 6.45 93.25 0.30 5.09 0.89 0.20 0.13 0.11 0.00 93.48 0.10 45 R E E 92.70 10.17 13.62 25.19 130.38 -174.45 -133.50 146.27 2.61 97.16 0.23 2.25 0.22 0.09 0.11 0.07 0.00 97.16 0.09 46 R E E 155.73 3.30 17.36 21.92 113.86 -119.23 -84.84 131.24 2.98 96.86 0.16 2.78 0.16 0.06 0.11 0.04 0.00 96.69 0.17 47 L E E 40.95 17.03 8.69 24.92 113.64 -127.68 -80.99 133.63 31.04 68.68 0.28 29.57 0.84 0.15 0.12 0.09 0.00 68.86 0.36 48 A C E 76.60 3.00 15.96 19.76 95.68 -147.38 -78.31 -21.80 60.04 39.82 0.14 26.58 30.82 1.91 0.02 0.14 0.00 40.22 0.32 49 Y C E 118.47 4.15 15.09 20.51 130.96 36.29 -133.03 155.98 51.11 48.73 0.16 11.24 38.25 2.03 0.02 0.13 0.00 47.84 0.49 50 E E E 125.15 4.40 13.30 19.46 113.04 -105.27 -80.18 132.45 46.14 53.53 0.32 42.73 2.37 0.40 0.10 0.21 0.00 52.38 1.81 51 I C C 57.40 12.50 8.63 21.39 119.58 -173.86 -123.19 125.97 51.61 46.91 1.48 44.06 4.58 1.95 0.49 1.10 0.00 37.27 10.53 52 N C T 126.31 2.02 13.73 16.26 98.95 -20.96 52.26 17.56 93.39 3.20 3.41 9.45 25.69 58.11 0.25 3.49 0.00 2.55 0.46 53 D C T 120.95 1.77 14.08 16.31 96.73 -33.18 32.83 17.99 91.29 5.47 3.25 10.42 24.94 55.54 0.18 3.52 0.00 4.93 0.46 54 F E E 73.76 11.50 10.96 23.41 120.23 111.06 -104.87 136.34 36.04 63.15 0.81 29.87 4.59 1.49 0.15 0.69 0.00 61.44 1.77 55 R E E 108.76 8.92 16.75 26.64 112.30 -170.56 -107.65 46.74 20.89 79.05 0.06 17.76 2.18 0.28 0.01 0.05 0.00 79.29 0.43 56 D E E 57.03 9.84 20.93 31.17 126.03 43.73 -118.87 142.88 10.38 89.59 0.03 8.18 1.94 0.19 0.00 0.02 0.00 89.50 0.16 57 G E E 6.21 18.33 17.81 36.29 140.82 163.03 -160.30 173.10 4.06 95.94 0.01 3.37 0.45 0.02 0.00 0.00 0.00 96.10 0.05 58 F E E 33.57 14.55 22.56 37.92 128.63 -102.67 -127.44 144.64 0.78 99.22 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.25 0.01 59 Y E E 38.61 17.01 21.33 38.28 120.05 -149.49 -109.14 132.10 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 60 Q E E 18.67 18.40 20.77 39.42 123.92 -169.51 -120.12 135.39 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 61 I E E 33.01 13.77 23.81 38.23 117.76 -159.76 -109.96 125.18 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 62 V E E 9.93 21.52 19.94 41.61 121.99 -169.14 -116.85 131.71 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 63 N E E 47.89 10.78 25.92 37.22 117.01 -159.86 -106.58 125.60 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 64 V E E 8.33 23.59 16.61 40.40 126.09 -171.96 -122.74 139.36 0.61 99.39 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.39 0.02 65 Q E E 83.37 7.57 25.18 33.18 118.82 -160.65 -112.33 125.52 6.02 93.96 0.02 4.62 1.19 0.07 0.00 0.01 0.00 93.92 0.18 66 S E E 21.11 16.57 16.26 32.98 141.72 130.52 -155.80 172.59 38.22 61.70 0.09 23.26 15.51 0.50 0.02 0.06 0.00 60.02 0.65 67 D C C 80.91 4.53 21.87 26.18 113.61 -79.90 -71.77 145.20 91.55 8.08 0.37 87.85 3.27 0.26 0.21 0.11 0.00 7.92 0.38 68 A H H 59.26 9.78 14.55 25.34 92.50 -114.42 -59.64 -35.64 10.47 0.06 89.47 1.85 1.80 6.84 86.85 2.58 0.03 0.03 0.03 69 A H H 69.80 2.06 21.50 22.35 91.52 56.00 -64.64 -37.97 6.71 0.04 93.26 1.05 0.84 4.66 90.89 2.49 0.04 0.02 0.02 70 A H H 15.54 14.41 16.94 32.36 92.24 50.90 -65.86 -40.06 3.03 0.04 96.94 1.14 0.41 1.53 94.38 2.50 0.01 0.02 0.02 71 V H H 14.55 20.72 15.69 36.14 91.86 52.59 -63.19 -42.80 0.77 0.00 99.23 0.25 0.08 0.37 98.85 0.45 0.00 0.00 0.00 72 Q H H 99.40 3.29 23.32 26.12 91.80 50.97 -63.88 -40.79 0.54 0.00 99.46 0.12 0.04 0.29 99.33 0.21 0.00 0.00 0.00 73 E H H 84.27 5.45 22.04 27.74 91.78 50.03 -64.34 -41.59 0.60 0.00 99.40 0.11 0.04 0.37 99.30 0.18 0.00 0.00 0.00 74 F H H 9.27 23.47 15.79 39.39 91.77 50.06 -64.52 -42.59 0.52 0.00 99.48 0.08 0.04 0.32 99.37 0.20 0.00 0.00 0.00 75 D H H 56.74 13.79 18.84 32.15 91.46 52.62 -62.69 -40.49 1.01 0.00 98.98 0.14 0.06 0.67 98.72 0.40 0.00 0.00 0.00 76 R H H 154.92 1.55 22.11 22.17 92.03 50.34 -65.36 -39.64 2.85 0.00 97.15 0.20 0.14 2.30 96.49 0.86 0.00 0.00 0.00 77 L H H 58.59 11.27 18.42 30.14 92.64 49.12 -69.07 -35.31 5.46 0.01 94.52 0.33 0.36 4.51 93.99 0.80 0.01 0.00 0.00 78 A H H 11.16 21.94 12.35 33.60 95.31 56.93 -76.52 -18.29 33.60 0.75 65.65 5.90 4.50 23.24 63.55 2.06 0.07 0.31 0.37 79 K C T 132.33 4.69 20.24 25.80 99.72 73.70 -66.90 45.70 75.41 1.59 23.01 22.75 5.02 45.93 21.71 3.10 0.01 0.84 0.65 80 I C C 83.13 10.64 13.59 24.61 109.32 106.36 -91.47 94.69 83.56 4.90 11.54 54.97 17.45 10.34 9.78 2.56 0.01 2.10 2.79 81 S C C 47.84 7.93 13.89 23.13 128.96 123.87 -125.38 161.19 91.29 4.65 4.06 74.87 11.05 5.07 2.12 1.88 0.00 2.27 2.75 82 D C T 120.33 2.32 15.74 19.07 94.35 -118.62 -71.55 -15.59 95.33 1.50 3.17 6.44 30.78 58.75 0.48 2.20 0.00 0.95 0.41 83 D C T 77.48 8.73 16.00 25.38 97.89 60.10 -88.60 -1.14 92.94 4.70 2.36 13.47 20.02 59.40 0.25 2.13 0.00 4.31 0.41 84 I E E 30.89 19.12 12.86 31.76 115.30 96.31 -94.01 126.62 28.64 70.98 0.37 22.95 4.41 0.56 0.21 0.23 0.00 63.19 8.45 85 I E E 61.00 12.10 19.15 31.59 104.60 -166.70 -92.76 -14.33 30.11 69.72 0.17 26.60 2.53 0.27 0.07 0.08 0.00 69.75 0.71 86 R E E 94.84 10.42 21.39 31.81 129.26 -2.90 -129.63 141.83 24.33 75.38 0.28 21.96 1.48 0.28 0.10 0.13 0.00 75.65 0.39 87 H E E 54.25 19.12 15.55 33.75 127.38 -164.94 -127.73 139.00 24.65 75.07 0.29 22.51 1.22 0.21 0.10 0.12 0.00 75.59 0.26 88 I E E 59.51 10.42 21.45 32.66 123.14 -168.42 -120.13 133.22 17.34 82.53 0.13 16.37 0.55 0.09 0.05 0.05 0.00 82.72 0.18 89 V E E 46.27 16.10 16.80 32.90 120.00 -157.96 -109.14 129.40 8.85 91.11 0.04 9.07 0.18 0.02 0.01 0.01 0.00 90.47 0.24 90 V E E 50.30 10.47 17.91 29.63 124.25 -170.17 -119.90 138.01 9.88 90.08 0.03 9.93 0.25 0.03 0.01 0.01 0.00 89.29 0.46 91 K E E 101.32 8.91 14.95 25.00 115.79 -137.59 -92.05 133.91 23.88 75.90 0.23 22.02 1.44 0.25 0.09 0.12 0.00 75.17 0.92 92 E C C 100.85 8.71 10.99 20.83 107.40 -133.40 -82.31 116.79 81.55 15.94 2.50 55.51 17.51 7.43 0.47 2.06 0.00 16.27 0.74 93 E C C 137.23 2.60 11.22 15.35 110.26 -123.13 -87.35 122.03 92.90 5.03 2.07 81.99 3.67 7.01 0.37 1.72 0.00 4.73 0.51 94 E C C 138.29 3.37 12.30 17.32 107.07 -117.04 -83.36 109.47 99.83 0.12 0.05 99.70 0.10 0.09 0.01 0.01 0.00 0.08 0.01