# 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 100.60 8.13 17.50 26.27 117.95 -126.57 -92.47 136.51 99.96 0.04 0.00 99.87 0.10 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 47.76 15.99 12.03 27.64 115.61 -108.45 -67.68 148.61 98.11 1.73 0.16 97.77 0.34 0.43 0.03 0.06 0.00 1.10 0.27 2 K C C 120.81 5.39 18.69 25.27 119.20 -137.43 -99.15 141.92 65.10 34.35 0.55 53.25 10.20 1.38 0.18 0.47 0.00 29.22 5.30 3 Q C C 96.52 9.90 17.51 27.96 116.29 -112.60 -83.59 134.86 50.65 48.88 0.47 46.91 3.04 0.43 0.20 0.29 0.00 38.18 10.94 4 I C C 20.53 18.96 12.31 31.51 118.18 -152.64 -108.83 129.37 75.07 24.51 0.41 75.29 0.99 0.22 0.22 0.17 0.00 19.13 3.99 5 T C C 92.04 4.86 19.89 25.80 99.74 174.86 -105.11 -7.43 98.73 1.09 0.18 53.32 45.24 0.45 0.07 0.09 0.00 0.62 0.23 6 D C S 70.94 4.76 21.33 26.61 115.89 80.40 -104.06 125.00 96.01 2.83 1.15 37.76 58.16 0.36 1.03 0.13 0.00 0.54 2.03 7 I H H 36.01 20.39 12.85 32.78 92.46 -142.04 -60.81 -36.91 1.35 0.00 98.65 0.17 0.17 0.86 98.05 0.74 0.00 0.00 0.00 8 R H H 140.91 3.82 20.31 25.02 91.13 56.42 -62.36 -39.95 0.50 0.00 99.49 0.04 0.03 0.37 98.70 0.85 0.00 0.00 0.00 9 K H H 89.44 6.00 21.07 27.57 91.71 49.38 -65.93 -39.86 0.15 0.00 99.85 0.02 0.01 0.10 99.03 0.84 0.00 0.00 0.00 10 F H H 4.50 25.12 15.49 41.00 91.16 51.63 -63.04 -43.87 0.09 0.00 99.91 0.01 0.00 0.05 99.77 0.16 0.00 0.00 0.00 11 L H H 33.91 16.74 20.42 36.68 91.11 50.53 -63.03 -41.48 0.13 0.00 99.87 0.01 0.00 0.10 99.61 0.28 0.00 0.00 0.00 12 K H H 119.83 2.44 25.40 26.92 91.62 51.22 -63.95 -41.50 0.51 0.00 99.49 0.01 0.01 0.49 99.03 0.46 0.00 0.00 0.00 13 I H H 24.53 15.52 19.91 35.86 91.88 49.69 -65.80 -39.77 2.48 0.00 97.52 0.06 0.10 2.34 96.96 0.54 0.00 0.00 0.00 14 S H H 4.83 24.29 14.93 39.42 91.34 57.05 -71.45 -21.12 32.60 0.12 67.28 4.24 2.52 25.32 66.42 1.34 0.02 0.03 0.10 15 R C T 135.87 7.04 21.18 28.92 93.28 65.91 -82.53 -6.36 86.43 0.33 13.24 21.90 10.52 53.96 10.88 2.34 0.00 0.11 0.28 16 K C S 70.58 11.29 12.64 25.29 114.76 111.39 -72.81 138.58 98.91 0.68 0.41 25.98 71.98 0.80 0.26 0.09 0.00 0.14 0.74 17 P C T 115.19 1.79 16.55 19.02 91.16 -122.67 -62.12 -28.34 99.32 0.03 0.65 0.30 2.81 96.31 0.03 0.52 0.00 0.01 0.02 18 D C T 89.71 5.58 17.14 23.82 94.70 54.85 -86.99 -0.82 99.66 0.03 0.31 0.72 2.53 96.41 0.01 0.30 0.00 0.02 0.01 19 T C C 13.76 22.26 9.96 31.62 113.63 111.11 -78.05 131.58 76.59 23.07 0.34 73.33 3.10 0.35 0.05 0.32 0.00 21.74 1.12 20 T C C 76.11 5.16 23.36 29.08 100.85 176.61 -100.19 -22.80 75.08 24.77 0.15 55.43 18.32 0.53 0.02 0.13 0.00 25.14 0.41 21 A E E 27.20 10.39 24.77 36.15 142.94 5.43 -158.00 155.28 9.24 90.63 0.14 7.61 1.01 0.18 0.02 0.08 0.00 90.95 0.14 22 V E E 6.80 25.41 16.80 42.77 128.56 -163.50 -134.74 139.29 1.23 98.75 0.01 1.12 0.05 0.01 0.00 0.00 0.00 98.79 0.02 23 I E E 46.07 10.83 26.75 38.37 121.36 -163.36 -115.12 131.93 0.58 99.41 0.01 0.48 0.02 0.00 0.00 0.00 0.00 99.48 0.01 24 I E E 15.91 22.57 18.33 41.15 118.03 -155.57 -107.60 128.54 1.56 98.40 0.04 1.31 0.09 0.02 0.01 0.01 0.00 98.53 0.03 25 M E E 51.88 10.94 21.79 33.58 122.69 -164.63 -110.98 137.44 5.69 93.90 0.41 4.89 0.41 0.15 0.19 0.14 0.00 94.04 0.18 26 K E E 76.77 13.69 16.29 30.12 119.19 -149.18 -100.94 135.12 15.54 82.99 1.47 13.35 1.70 0.61 0.76 0.55 0.00 82.31 0.71 27 K E E 90.17 9.02 15.25 25.34 117.60 -154.28 -102.43 136.32 39.37 57.39 3.24 33.09 4.75 1.57 1.60 1.38 0.00 56.31 1.31 28 K C C 121.88 5.21 14.05 20.64 113.68 -129.08 -83.96 135.94 51.37 39.42 9.20 38.80 8.61 4.34 4.94 4.13 0.03 37.12 2.05 29 S C C 53.26 7.48 9.64 18.64 114.40 -132.45 -87.40 137.53 60.71 27.53 11.76 43.13 10.38 7.26 6.30 5.37 0.05 24.80 2.72 30 K C C 151.26 2.21 10.99 14.45 100.27 -146.40 -84.24 -6.50 67.39 17.55 15.06 35.92 18.76 14.24 7.92 6.72 0.18 13.27 2.99 31 T C C 92.56 2.85 9.49 13.85 108.06 68.36 -91.64 82.50 75.36 11.15 13.49 35.06 22.67 19.11 6.58 6.28 0.13 7.68 2.49 32 K C T 142.70 2.75 9.34 13.68 107.63 -13.03 -85.16 79.85 83.53 5.66 10.81 30.58 21.30 33.08 3.69 6.16 0.03 3.56 1.61 33 K C T 157.39 1.76 10.70 13.31 103.43 -68.70 -78.87 49.85 90.39 2.61 7.00 26.10 20.97 43.96 1.58 4.96 0.00 1.63 0.80 34 N C T 110.72 3.70 10.99 16.20 101.12 -38.48 -49.82 27.68 87.99 7.07 4.93 30.72 26.16 31.81 0.72 4.19 0.00 5.18 1.21 35 T C C 70.49 6.47 12.23 20.31 117.24 118.32 -102.67 139.96 71.12 25.69 3.19 44.08 18.15 9.27 0.63 2.69 0.00 23.07 2.10 36 V C E 61.13 10.07 14.11 25.44 117.64 -141.78 -101.09 132.16 54.03 44.04 1.93 42.00 8.32 3.23 0.48 1.52 0.00 42.05 2.39 37 I E E 50.75 11.94 17.39 30.45 119.35 -158.62 -107.51 131.32 37.94 61.59 0.46 31.66 4.93 0.87 0.13 0.33 0.00 60.69 1.39 38 T E E 21.06 17.10 17.72 35.22 120.13 -159.14 -109.21 134.84 20.89 79.03 0.08 18.53 1.46 0.16 0.01 0.05 0.00 79.49 0.29 39 K E E 55.28 12.72 22.66 35.68 128.64 -168.79 -126.61 141.91 4.73 95.25 0.02 4.12 0.37 0.03 0.00 0.01 0.00 95.40 0.07 40 L E E 9.57 22.48 18.76 41.50 126.25 -165.76 -124.46 139.54 0.61 99.39 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.42 0.01 41 K E E 53.88 11.67 25.44 37.68 118.17 -148.72 -109.36 130.64 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 42 L E E 6.17 23.78 17.99 42.48 121.66 -165.74 -115.50 131.84 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 43 R E E 81.91 9.31 23.35 33.20 119.07 -160.56 -109.73 128.96 2.09 97.90 0.00 1.85 0.12 0.01 0.00 0.00 0.00 97.85 0.16 44 T C C 19.71 16.23 13.73 30.43 130.02 172.47 -124.63 173.32 74.23 25.74 0.04 70.87 1.86 0.12 0.00 0.02 0.00 26.64 0.48 45 K C S 142.80 3.20 17.50 21.28 93.24 -87.15 -63.06 -34.46 99.60 0.30 0.10 1.53 82.33 15.81 0.00 0.08 0.00 0.20 0.05 46 K C S 134.51 3.70 16.86 21.27 103.15 16.08 -105.87 -17.12 99.51 0.40 0.10 1.30 82.22 16.05 0.00 0.08 0.00 0.30 0.05 47 Y E E 79.25 9.93 17.17 28.25 137.07 24.70 -144.49 153.03 32.69 67.29 0.02 27.96 3.13 0.13 0.00 0.02 0.00 68.33 0.42 48 L E E 48.09 14.82 17.88 33.07 120.62 -141.25 -111.86 132.01 1.57 98.43 0.00 1.46 0.04 0.00 0.00 0.00 0.00 98.44 0.05 49 Y E E 28.62 17.15 20.53 38.06 129.31 -171.99 -126.57 146.53 0.42 99.58 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 50 T E E 27.78 15.39 23.05 38.61 122.12 -152.03 -112.91 134.34 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 51 M E E 9.86 22.52 20.98 43.42 120.95 -161.89 -111.95 132.25 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 52 V E E 34.47 12.26 25.07 38.15 119.03 -156.97 -108.80 128.08 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 53 F E E 14.26 20.95 14.79 36.12 123.29 -168.23 -115.19 139.51 14.75 85.24 0.01 14.69 0.25 0.01 0.00 0.00 0.00 84.60 0.44 54 A C S 70.66 4.77 20.42 26.05 95.26 -157.04 -81.73 -22.94 98.11 1.86 0.03 10.62 87.14 0.54 0.00 0.01 0.00 1.62 0.07 55 D C C 69.99 5.19 18.37 24.51 114.28 60.86 -112.95 113.35 99.01 0.64 0.34 69.08 29.07 0.99 0.21 0.11 0.00 0.27 0.27 56 R H H 120.28 11.10 13.15 25.08 93.03 -155.28 -62.85 -35.35 3.12 0.01 96.88 0.49 0.49 1.96 95.25 1.80 0.00 0.00 0.00 57 K H H 144.05 1.15 20.39 19.65 91.48 54.78 -63.74 -41.33 1.82 0.00 98.18 0.14 0.15 1.44 95.84 2.42 0.00 0.00 0.00 58 K H H 76.28 7.66 18.45 27.19 91.92 47.94 -66.25 -39.28 1.17 0.00 98.83 0.13 0.09 0.85 96.15 2.78 0.00 0.00 0.00 59 A H H 3.98 22.86 11.96 35.12 91.13 52.25 -62.99 -42.87 1.00 0.00 98.99 0.18 0.09 0.61 97.97 1.15 0.00 0.00 0.00 60 E H H 94.28 5.33 21.44 27.17 91.33 51.39 -63.51 -40.93 1.10 0.00 98.90 0.14 0.06 0.76 97.04 2.01 0.00 0.00 0.00 61 R H H 131.08 2.14 22.92 23.55 91.58 50.41 -64.18 -42.13 1.07 0.00 98.93 0.09 0.04 0.79 96.01 3.07 0.00 0.00 0.00 62 I H H 15.06 19.04 16.45 35.70 91.80 49.17 -64.77 -42.37 0.79 0.00 99.21 0.09 0.04 0.55 96.14 3.19 0.00 0.00 0.00 63 E H H 56.18 17.62 16.48 33.25 91.07 53.53 -62.33 -39.08 1.92 0.00 98.07 0.18 0.10 1.51 93.33 4.87 0.00 0.00 0.00 64 N H H 121.81 1.54 20.71 21.48 90.83 54.80 -69.33 -23.59 26.84 0.01 73.14 0.28 0.44 27.68 66.71 4.86 0.01 0.01 0.01 65 S C T 62.22 6.33 18.06 25.27 93.69 55.39 -89.08 -6.58 57.05 0.04 42.91 0.85 1.58 55.03 38.63 3.85 0.01 0.01 0.03 66 L C S 22.15 22.27 9.25 30.34 118.68 102.66 -78.58 144.49 98.65 0.77 0.58 18.96 79.18 0.48 0.44 0.07 0.00 0.13 0.74 67 L C C 67.43 7.51 17.19 25.99 114.80 -104.59 -67.41 147.43 99.80 0.13 0.07 98.41 1.17 0.26 0.02 0.03 0.00 0.05 0.07 68 P C T 92.26 6.32 14.09 21.64 95.20 -108.01 -62.76 -23.17 99.09 0.16 0.75 2.48 5.91 90.69 0.09 0.66 0.00 0.09 0.07 69 S C T 88.44 2.00 17.49 19.61 94.02 52.62 -81.54 2.23 98.75 0.33 0.92 2.74 5.23 90.74 0.09 0.89 0.00 0.25 0.06 70 L C C 33.76 18.87 8.95 26.88 117.76 118.42 -82.28 139.14 86.04 13.09 0.87 65.26 19.08 1.49 0.12 0.86 0.00 12.34 0.85 71 K E E 135.42 2.73 21.26 24.11 114.31 -130.40 -91.61 128.56 40.64 58.89 0.46 38.58 1.54 0.45 0.10 0.32 0.00 58.07 0.94 72 R E E 81.59 18.69 11.76 29.36 123.07 -159.94 -112.94 135.48 21.41 78.47 0.12 20.54 0.78 0.10 0.04 0.07 0.00 77.83 0.65 73 I E E 75.56 7.04 19.47 27.63 121.84 -167.70 -118.02 133.01 12.72 87.20 0.08 12.21 0.42 0.06 0.03 0.04 0.00 86.76 0.48 74 Y E E 118.32 10.56 16.16 27.45 116.91 -144.90 -97.03 128.45 17.89 82.04 0.07 17.21 0.53 0.07 0.03 0.04 0.00 80.97 1.16 75 Y C C 63.16 13.25 12.63 26.85 119.39 -164.01 -108.25 131.33 74.49 23.93 1.59 70.36 2.66 0.62 0.49 0.90 0.00 24.27 0.69 76 P C C 81.07 4.43 17.19 22.30 112.48 -115.47 -68.91 147.57 82.11 9.85 8.04 62.70 12.49 6.73 2.72 5.25 0.00 9.03 1.09 77 Q C C 100.02 9.72 11.59 21.87 109.75 -114.64 -79.13 116.80 75.25 5.04 19.71 50.19 15.12 10.10 7.82 11.94 0.01 3.26 1.55 78 K C C 127.95 4.93 12.79 19.30 110.31 -155.13 -89.79 125.35 72.59 4.80 22.61 48.01 14.55 10.18 9.87 12.74 0.01 3.04 1.60 79 K C C 133.57 4.08 13.27 18.72 105.79 -110.00 -91.82 85.53 73.63 5.27 21.10 53.87 10.91 8.78 9.92 11.23 0.00 3.33 1.95 80 V C C 74.81 9.81 9.83 20.34 111.27 126.90 -87.53 123.02 75.47 4.69 19.83 48.29 12.86 14.61 11.32 8.24 0.01 2.90 1.77 81 G C C 50.47 3.95 12.99 18.28 108.14 -1.13 77.90 8.26 81.90 3.48 14.62 46.87 16.98 18.58 7.35 6.85 0.01 2.04 1.32 82 K C C 128.91 4.40 10.90 17.12 112.54 109.28 -91.11 128.25 81.68 5.28 13.04 53.61 19.78 8.75 7.03 5.71 0.01 3.19 1.92 83 T C C 91.05 4.32 10.14 16.30 114.23 -157.26 -91.99 133.10 81.47 7.98 10.56 61.31 13.15 6.88 5.79 4.77 0.00 5.51 2.57 84 V C C 97.46 5.22 8.31 15.26 113.82 -149.55 -92.67 130.62 81.43 9.39 9.18 60.23 11.99 8.80 4.92 4.25 0.00 6.82 2.98 85 K C C 150.12 2.30 9.05 13.10 113.39 -145.94 -91.34 128.46 89.67 5.57 4.76 80.74 2.47 7.14 2.23 1.75 0.00 3.98 1.70 86 K C C 150.89 2.73 10.91 15.45 111.06 -126.57 -84.93 124.15 99.86 0.13 0.02 99.77 0.09 0.05 0.01 0.00 0.00 0.07 0.01