# 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 97.19 9.04 14.38 24.32 116.71 -153.76 -96.15 136.36 99.50 0.48 0.02 99.49 0.11 0.05 0.01 0.00 0.00 0.31 0.03 1 A C C 64.06 7.08 13.42 21.84 120.83 -161.35 -108.41 143.02 75.14 23.66 1.19 70.33 1.89 2.21 0.44 0.63 0.00 20.50 3.99 2 Y C C 115.36 9.33 11.32 21.73 119.10 -152.15 -106.92 134.55 60.30 37.45 2.24 45.85 9.61 3.69 1.00 1.56 0.01 30.17 8.12 3 D C C 81.95 5.76 13.50 20.69 115.00 -155.84 -99.92 125.43 69.82 27.97 2.21 57.83 7.15 3.45 0.81 1.50 0.00 24.96 4.30 4 M C C 105.63 8.95 11.10 20.99 99.47 -161.99 -85.50 -1.45 79.43 16.36 4.21 36.01 19.88 24.87 1.03 2.99 0.02 12.73 2.49 5 D C T 106.98 2.64 14.09 17.49 102.70 75.72 -88.69 12.32 86.14 9.87 3.99 25.50 27.55 34.08 0.78 3.03 0.01 6.99 2.05 6 G C S 45.37 6.30 11.04 18.62 106.69 -103.42 83.43 13.87 88.88 8.25 2.87 34.27 35.90 19.28 0.46 2.55 0.00 5.44 2.10 7 T C C 96.01 3.18 12.46 17.10 111.07 119.92 -97.31 101.11 85.49 11.68 2.83 48.89 22.88 14.16 0.59 2.53 0.00 7.31 3.64 8 G C C 43.61 5.08 11.85 18.48 121.46 29.96 131.76 168.55 84.64 12.54 2.82 45.90 27.25 12.02 0.56 2.53 0.00 7.94 3.81 9 A C C 81.70 3.60 12.40 17.50 109.00 -73.83 -83.78 122.01 83.56 11.62 4.82 39.01 23.57 22.12 0.87 3.98 0.01 7.29 3.15 10 G C C 46.68 4.83 12.10 18.41 115.93 8.65 96.91 170.47 84.84 10.82 4.34 34.03 29.89 21.95 0.68 3.73 0.01 7.12 2.59 11 S C C 77.57 4.11 13.09 18.58 111.53 -85.07 -92.45 125.81 82.01 13.70 4.29 54.70 16.82 10.11 0.98 3.76 0.00 9.56 4.08 12 L C C 98.51 7.74 10.51 19.46 110.82 -152.52 -89.88 111.86 76.90 19.36 3.74 40.32 27.97 9.47 1.14 2.73 0.03 11.90 6.44 13 E C S 121.23 4.43 13.42 19.35 116.59 -158.03 -95.90 131.91 81.90 15.89 2.21 35.10 39.14 8.42 0.51 1.70 0.01 12.39 2.74 14 P C C 88.46 6.41 11.92 19.87 111.94 -108.52 -70.21 139.33 83.27 13.79 2.94 56.89 15.68 10.44 0.59 2.53 0.00 12.13 1.74 15 R C C 142.39 5.96 11.76 19.30 114.91 -154.63 -97.52 130.67 64.61 31.34 4.05 42.60 13.10 9.50 1.19 2.97 0.02 26.88 3.75 16 G C E 44.18 5.66 13.04 20.09 120.51 -149.84 -131.94 167.71 50.12 46.93 2.95 32.38 12.77 7.45 0.91 2.15 0.02 41.03 3.29 17 I E E 98.57 7.81 11.30 20.52 118.30 -123.09 -104.94 132.92 44.94 52.41 2.65 35.80 6.57 2.08 1.46 1.44 0.02 46.76 5.86 18 K C C 134.08 4.25 12.90 18.89 116.23 -147.84 -96.74 133.24 58.87 37.93 3.20 47.85 7.35 2.63 1.76 1.59 0.01 35.04 3.78 19 S C C 65.71 7.32 10.32 18.97 116.92 -146.32 -97.81 135.05 73.89 18.26 7.85 55.24 11.55 6.59 4.15 3.72 0.01 15.98 2.75 20 S C C 71.08 4.34 11.55 17.33 111.13 -157.43 -94.62 133.54 74.20 6.49 19.32 35.61 19.39 20.02 10.25 8.50 0.06 4.35 1.81 21 A C C 78.65 3.25 10.64 15.43 100.76 -131.40 -76.28 -16.83 69.13 4.53 26.34 25.94 21.84 22.91 14.27 10.54 0.13 2.56 1.80 22 V C C 102.88 3.33 11.12 15.69 104.35 58.75 -87.92 7.93 64.49 5.29 30.21 30.35 19.26 16.52 17.91 10.88 0.12 2.81 2.15 23 E C C 111.26 5.20 11.54 18.15 108.01 90.64 -85.01 93.00 64.21 4.74 31.05 33.65 14.46 16.91 18.23 12.16 0.07 2.55 1.96 24 K C T 130.51 5.16 13.11 19.54 103.14 -163.44 -80.85 -0.57 65.36 3.38 31.26 20.81 17.18 28.72 15.27 14.49 0.14 1.78 1.59 25 D C T 86.99 6.23 15.13 22.27 105.02 65.11 -90.80 37.25 69.94 4.43 25.64 22.47 19.34 30.19 9.73 13.94 0.09 2.66 1.59 26 S C C 43.59 10.38 15.09 26.46 119.26 112.71 -99.39 141.68 71.03 15.25 13.72 38.49 18.37 16.08 3.59 9.02 0.04 12.55 1.86 27 R E E 61.08 14.51 17.32 32.06 123.33 -158.30 -112.02 139.43 48.53 48.93 2.54 37.19 8.75 3.25 0.71 1.69 0.00 46.95 1.44 28 C E E 34.54 12.80 21.11 34.61 126.01 -160.40 -119.24 140.64 10.82 89.12 0.06 9.44 1.06 0.10 0.02 0.04 0.00 89.04 0.31 29 F E E 15.60 21.05 18.21 39.41 127.38 -167.32 -122.69 141.89 0.78 99.22 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.26 0.02 30 K E E 69.32 10.55 25.02 35.94 119.18 -148.79 -109.63 128.26 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 31 V E E 7.01 23.53 17.94 42.07 123.00 -168.28 -118.33 132.61 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 32 T E E 28.91 10.84 25.29 37.23 120.43 -160.83 -111.16 131.56 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 33 F E E 14.93 21.97 18.89 40.95 125.59 -169.56 -119.66 138.83 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.78 0.01 34 V E E 31.41 12.20 23.35 36.56 120.96 -161.78 -115.82 130.62 1.30 98.70 0.00 1.14 0.05 0.01 0.00 0.00 0.00 98.74 0.05 35 L E E 25.87 17.31 18.65 36.26 123.88 -167.60 -116.14 134.46 24.22 75.67 0.11 21.90 1.38 0.13 0.03 0.06 0.00 76.18 0.31 36 P E E 43.97 11.05 18.31 30.31 113.05 -111.12 -69.24 146.27 44.90 53.56 1.53 33.15 10.04 2.39 0.47 0.98 0.00 52.03 0.93 37 S C C 39.29 11.83 14.70 27.37 123.34 -157.91 -112.47 143.49 57.56 39.22 3.22 42.71 11.57 3.89 1.27 2.01 0.02 34.98 3.55 38 Q C C 107.91 5.88 14.17 21.38 112.10 -131.37 -91.60 126.22 57.27 38.14 4.59 36.39 16.33 6.26 1.76 2.79 0.03 33.07 3.36 39 S C C 60.76 6.30 11.00 18.89 119.41 -157.08 -105.94 141.44 55.27 40.24 4.48 37.58 12.61 5.97 1.98 2.53 0.03 36.32 2.98 40 R C E 149.54 3.88 9.91 15.66 116.00 -142.75 -98.56 130.12 52.79 42.57 4.64 36.94 11.37 5.48 2.52 2.32 0.04 38.09 3.25 41 L C C 108.91 3.41 7.92 13.18 115.78 -160.49 -102.02 130.81 63.53 31.62 4.85 43.34 12.06 7.96 2.58 2.36 0.02 28.57 3.10 42 Y C C 178.00 1.70 8.33 11.28 108.88 -121.80 -89.98 100.84 84.74 9.76 5.50 48.33 16.24 20.44 2.76 2.50 0.01 8.39 1.33 43 T C C 113.57 1.26 8.46 10.48 102.73 -3.44 -85.42 8.14 88.34 6.22 5.44 39.86 22.35 26.80 2.28 2.81 0.00 4.94 0.96 44 F C C 151.00 2.10 8.10 11.67 114.29 70.85 -97.50 128.41 67.14 27.01 5.84 32.83 20.89 15.39 2.12 3.37 0.05 22.52 2.83 45 R C E 151.93 3.62 8.70 14.23 116.02 -138.19 -99.25 130.86 53.84 41.09 5.07 35.11 11.28 8.60 1.80 3.19 0.04 37.13 2.84 46 E E E 118.56 3.99 11.13 16.94 117.48 -148.45 -100.95 133.84 46.06 49.14 4.80 33.66 7.80 5.35 1.98 2.88 0.01 45.27 3.03 47 L E E 89.79 8.46 10.10 19.81 117.24 -146.93 -100.29 133.50 46.54 50.31 3.15 35.52 7.17 4.06 1.26 1.94 0.01 47.18 2.87 48 Q C E 98.79 5.68 14.08 21.32 122.95 -168.44 -114.65 142.55 50.11 47.97 1.92 28.74 16.26 6.56 0.45 1.29 0.00 45.64 1.05 49 N E E 85.10 9.36 12.84 23.18 120.73 -140.29 -105.73 135.67 38.38 60.39 1.23 22.42 12.23 5.04 0.22 0.91 0.00 58.51 0.67 50 V E E 59.41 9.42 14.45 25.39 123.21 -169.70 -120.40 136.75 13.91 85.83 0.27 10.64 2.85 0.58 0.08 0.16 0.00 85.37 0.33 51 Y E E 115.25 9.98 14.92 25.91 123.48 -158.51 -117.36 135.37 3.66 96.28 0.06 3.06 0.39 0.06 0.02 0.02 0.00 96.32 0.11 52 T E E 47.38 10.46 16.54 28.44 126.64 -171.72 -126.66 140.88 1.30 98.68 0.02 1.19 0.06 0.01 0.01 0.00 0.00 98.68 0.04 53 T E E 63.36 11.79 16.52 28.88 122.84 -159.09 -115.54 135.25 1.12 98.87 0.01 1.00 0.05 0.01 0.00 0.00 0.00 98.92 0.02 54 K E E 68.56 11.41 18.38 30.58 128.15 -173.56 -131.79 143.46 0.94 99.05 0.01 0.82 0.05 0.00 0.00 0.00 0.00 99.10 0.01 55 M E E 86.48 9.95 19.51 30.08 115.66 -131.95 -95.74 126.28 1.08 98.91 0.00 0.99 0.05 0.00 0.00 0.00 0.00 98.92 0.04 56 V E E 16.38 17.91 14.70 33.28 125.55 -173.57 -122.03 139.76 5.42 94.57 0.00 4.95 0.23 0.01 0.00 0.00 0.00 94.69 0.12 57 P E E 50.84 5.39 20.81 27.01 114.21 -109.94 -67.20 145.65 22.09 77.88 0.03 21.36 0.59 0.04 0.01 0.01 0.00 77.57 0.43 58 F H G 74.85 15.30 12.41 27.75 91.84 -117.61 -59.12 -35.80 24.59 0.59 74.81 3.18 3.50 16.73 30.69 45.26 0.06 0.39 0.19 59 S H G 89.98 1.25 18.55 18.78 91.04 62.20 -68.90 -21.65 22.36 0.15 77.49 1.18 1.92 17.67 33.64 45.38 0.05 0.08 0.08 60 S H G 49.76 6.97 15.54 24.02 98.20 44.48 -98.23 1.62 19.13 0.26 80.61 3.32 2.29 12.21 30.82 51.10 0.02 0.14 0.10 61 W H H 31.18 21.07 11.29 31.63 92.92 95.61 -62.63 -42.43 10.52 0.13 89.35 5.34 1.83 4.30 83.72 4.68 0.01 0.06 0.05 62 Y H H 132.16 4.53 18.71 24.16 91.98 53.29 -63.60 -41.10 1.27 0.00 98.73 0.37 0.14 0.63 98.38 0.47 0.00 0.00 0.00 63 A H H 61.36 1.95 20.97 21.28 92.02 49.53 -64.49 -41.24 0.37 0.00 99.63 0.07 0.03 0.22 99.47 0.22 0.00 0.00 0.00 64 E H H 39.04 13.86 17.24 31.68 92.14 49.32 -65.80 -41.07 0.17 0.00 99.83 0.02 0.01 0.10 99.76 0.10 0.00 0.00 0.00 65 Q H H 37.66 17.07 15.86 32.75 91.49 52.24 -62.21 -42.33 0.16 0.00 99.83 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 66 Q H H 102.67 2.06 21.49 22.25 91.69 50.72 -63.83 -41.05 0.40 0.00 99.59 0.06 0.02 0.26 99.61 0.05 0.00 0.00 0.00 67 R H H 113.16 4.17 19.99 24.39 91.76 50.03 -64.95 -41.43 0.70 0.00 99.29 0.08 0.04 0.52 99.25 0.11 0.00 0.00 0.00 68 I H H 13.46 19.69 12.65 32.81 91.68 50.01 -64.29 -42.61 1.07 0.01 98.92 0.13 0.08 0.78 98.76 0.24 0.00 0.00 0.00 69 Q H H 95.74 8.37 16.06 25.26 91.60 51.30 -63.41 -39.28 2.94 0.01 97.05 0.26 0.16 2.41 96.31 0.84 0.00 0.01 0.00 70 K H H 161.33 0.96 17.60 17.24 91.07 54.44 -66.46 -26.95 16.25 0.03 83.71 0.44 0.52 15.62 82.27 1.10 0.02 0.01 0.02 71 M C T 93.00 7.50 14.18 22.96 93.50 54.64 -87.48 -1.25 74.50 0.09 25.41 0.75 2.11 70.02 25.67 1.35 0.00 0.03 0.07 72 G C T 47.59 2.80 19.53 22.15 100.24 -101.07 91.14 9.48 99.01 0.14 0.84 4.49 3.54 91.16 0.57 0.14 0.00 0.08 0.04 73 G C C 14.91 17.65 10.43 27.94 123.29 135.84 -82.88 160.51 92.43 7.54 0.03 86.68 4.72 0.23 0.00 0.02 0.00 8.13 0.21 74 K E E 114.86 4.02 23.49 27.93 124.72 -136.70 -122.40 142.06 15.51 84.48 0.01 14.82 0.49 0.03 0.00 0.01 0.00 84.30 0.35 75 I E E 45.26 19.75 13.00 32.48 110.20 -119.77 -80.01 122.61 0.63 99.37 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.29 0.04 76 L E E 82.37 5.93 19.59 26.60 100.86 176.31 -96.53 -33.96 1.13 98.87 0.00 0.82 0.15 0.00 0.00 0.00 0.00 99.02 0.00 77 K E E 100.50 4.48 22.26 27.64 136.82 -1.12 -152.14 148.29 0.39 99.61 0.00 0.27 0.03 0.00 0.00 0.00 0.00 99.69 0.00 78 V E E 35.26 21.49 11.95 32.94 125.25 -166.16 -130.63 130.07 0.33 99.67 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.70 0.00 79 E E E 95.35 4.23 23.33 28.04 127.30 -174.87 -130.81 141.66 1.15 98.85 0.00 1.01 0.03 0.00 0.00 0.00 0.00 98.94 0.01 80 L E E 67.89 14.72 13.12 27.84 113.74 -114.66 -73.40 135.69 7.40 92.54 0.06 6.87 0.30 0.05 0.01 0.03 0.00 92.52 0.22 81 V C C 80.75 7.53 14.38 23.15 101.49 -161.32 -82.96 -25.18 65.50 32.79 1.71 34.17 22.46 9.04 0.22 1.47 0.00 31.75 0.87 82 A C S 76.57 2.91 14.92 18.76 126.29 13.79 -132.91 149.99 72.96 25.49 1.55 18.35 40.09 14.90 0.17 1.35 0.00 23.59 1.55 83 G C S 52.89 3.23 12.45 17.21 117.58 33.21 99.14 -162.16 88.53 10.68 0.78 32.80 49.41 6.39 0.08 0.84 0.00 9.29 1.19 84 G C C 48.34 3.79 13.03 18.23 122.85 -66.38 -112.97 159.46 90.88 8.49 0.63 61.62 26.31 3.10 0.12 0.65 0.00 6.63 1.58 85 Q C C 124.80 4.56 12.10 18.60 114.26 -98.12 -80.91 137.30 87.27 10.90 1.83 71.93 10.12 4.75 0.46 1.54 0.00 8.22 2.97 86 M C C 106.27 8.06 10.26 19.54 114.73 -142.67 -92.43 136.18 83.94 14.21 1.85 69.67 8.78 4.71 0.55 1.49 0.00 10.44 4.36 87 R C C 156.56 3.60 12.64 18.06 116.74 -149.28 -100.14 134.09 79.83 17.00 3.16 61.56 11.60 6.02 0.99 2.37 0.00 12.59 4.87 88 S C C 70.30 6.55 10.41 18.38 113.17 -137.35 -95.24 123.93 80.48 15.72 3.80 55.44 15.17 9.64 0.99 3.14 0.00 11.38 4.25 89 V C C 98.47 5.10 10.39 16.94 104.07 -170.80 -97.84 16.63 81.66 13.19 5.15 38.10 22.07 22.88 1.06 4.08 0.01 8.66 3.13 90 G C C 50.62 3.80 10.68 15.99 110.01 -108.89 82.09 0.57 83.50 12.44 4.06 34.15 25.01 25.82 0.71 3.34 0.01 8.46 2.51 91 N C C 114.02 3.29 9.28 14.28 111.15 77.55 -92.27 119.77 86.93 9.73 3.34 72.43 4.54 9.71 0.86 2.30 0.00 7.06 3.10 92 Q C C 130.71 3.30 11.75 16.86 111.14 -155.91 -92.63 117.02 99.46 0.51 0.02 99.39 0.16 0.06 0.01 0.00 0.00 0.31 0.06