# 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 80.71 11.40 17.59 29.05 116.81 -167.56 -96.00 131.93 99.88 0.12 0.00 99.87 0.05 0.01 0.00 0.00 0.00 0.07 0.00 1 A C C 37.83 11.95 17.43 29.92 122.89 -158.79 -109.03 147.05 65.32 34.62 0.06 64.51 0.47 0.13 0.01 0.03 0.00 34.24 0.62 2 V E E 21.36 19.27 15.73 34.92 122.90 -152.02 -115.07 136.62 11.88 88.10 0.02 10.86 0.69 0.05 0.01 0.02 0.00 88.08 0.30 3 K E E 78.60 9.38 24.08 33.74 119.96 -154.75 -108.73 130.76 3.45 96.54 0.01 3.07 0.26 0.02 0.00 0.00 0.00 96.58 0.06 4 I E E 10.04 24.12 16.73 41.07 120.05 -161.50 -111.20 130.02 1.52 98.48 0.00 1.40 0.05 0.00 0.00 0.00 0.00 98.52 0.02 5 R E E 78.26 9.34 25.82 35.53 121.80 -169.12 -118.06 134.70 0.88 99.12 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.17 0.01 6 L E E 16.96 23.34 16.15 39.08 122.93 -161.03 -112.29 135.63 0.96 99.04 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.09 0.01 7 K E E 84.71 7.85 23.73 32.07 129.61 -174.91 -129.55 145.54 0.54 99.46 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 8 R E E 106.06 13.41 16.02 29.29 114.38 -117.31 -80.04 132.99 1.39 98.61 0.00 1.30 0.04 0.00 0.00 0.00 0.00 98.60 0.05 9 M E E 70.34 9.80 16.01 26.89 128.67 -176.84 -128.37 153.97 17.69 82.28 0.03 15.60 1.34 0.12 0.01 0.02 0.00 82.59 0.32 10 G E E 37.45 4.33 15.11 20.93 129.35 29.07 116.16 -172.29 48.00 51.89 0.11 32.01 15.14 1.19 0.01 0.12 0.00 50.77 0.75 11 A C C 65.61 4.46 12.79 18.76 122.98 -59.17 -109.81 153.50 63.08 36.34 0.58 44.60 16.77 2.51 0.13 0.60 0.00 30.96 4.43 12 K C T 159.51 2.13 11.65 15.10 100.50 -86.13 -64.56 -26.58 98.04 0.66 1.29 2.27 41.45 54.43 0.04 1.25 0.00 0.40 0.15 13 K C T 173.64 0.84 13.97 13.90 96.19 16.69 -76.71 -5.10 98.17 0.46 1.36 2.67 40.77 54.70 0.04 1.42 0.00 0.29 0.11 14 S C S 50.24 7.03 13.04 21.67 113.85 43.32 -125.83 97.94 68.20 31.46 0.35 21.09 45.56 2.45 0.03 0.36 0.00 28.84 1.68 15 P C C 39.57 12.31 14.42 28.11 115.17 -148.70 -71.40 143.89 57.80 42.16 0.04 52.90 2.12 0.20 0.00 0.03 0.00 44.43 0.31 16 F E E 41.49 13.20 19.44 33.77 129.89 -172.22 -127.34 148.10 3.38 96.62 0.00 2.94 0.20 0.01 0.00 0.00 0.00 96.75 0.10 17 Y E E 33.16 18.71 19.61 38.03 126.76 -156.90 -119.58 142.48 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 18 R E E 48.82 15.57 24.64 39.73 131.07 -171.75 -131.14 146.03 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 19 I E E 8.26 23.19 21.90 45.20 117.94 -142.91 -106.16 128.48 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 20 V E E 11.07 19.04 25.53 44.34 124.02 -168.40 -118.08 136.59 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 21 V E E 10.81 20.98 24.34 44.95 119.53 -155.85 -110.36 129.44 0.47 99.53 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 22 A E E 9.55 17.53 20.45 38.51 133.03 -172.91 -131.44 154.18 4.57 95.43 0.00 4.29 0.12 0.00 0.00 0.00 0.00 95.40 0.19 23 D E E 36.22 10.87 19.43 31.36 115.54 -104.55 -72.49 151.16 25.49 74.45 0.06 23.56 1.54 0.14 0.01 0.04 0.00 73.43 1.27 24 S C T 64.93 9.48 15.48 25.96 91.55 -116.12 -63.95 -22.42 98.85 0.69 0.46 0.62 11.05 87.35 0.02 0.39 0.00 0.47 0.11 25 R C T 176.46 1.30 17.85 18.17 94.46 59.88 -86.02 -7.81 98.99 0.55 0.46 0.81 11.74 86.53 0.02 0.42 0.00 0.38 0.10 26 S C S 29.94 12.88 9.49 23.05 116.35 83.94 -96.87 131.08 96.66 3.14 0.20 25.94 70.55 0.48 0.06 0.11 0.00 1.04 1.81 27 P C C 68.10 5.13 14.41 20.97 111.22 -125.24 -65.94 156.19 95.72 2.02 2.26 87.58 3.48 4.32 0.39 2.07 0.00 1.09 1.07 28 R C T 150.25 7.23 11.58 20.26 93.55 -103.15 -62.69 -25.01 92.17 0.70 7.13 4.10 12.18 74.16 0.38 8.38 0.00 0.40 0.40 29 D C T 114.88 1.67 15.94 17.38 95.62 53.32 -85.50 4.12 90.82 0.43 8.75 2.64 10.93 75.54 0.41 9.98 0.00 0.23 0.26 30 G C S 31.89 11.75 12.58 24.52 100.34 -102.32 82.51 5.96 92.87 1.75 5.39 40.03 43.02 8.90 0.42 5.89 0.00 0.89 0.85 31 R C C 123.11 5.36 18.30 24.69 113.11 130.60 -84.27 131.89 94.65 4.89 0.46 82.36 10.60 1.66 0.09 0.46 0.00 3.51 1.33 32 F E E 74.56 15.50 13.55 28.67 113.17 -123.70 -82.70 128.48 46.75 53.11 0.14 45.03 1.74 0.19 0.05 0.10 0.00 47.40 5.50 33 I E E 68.22 11.52 17.94 29.91 100.96 -167.40 -92.92 -33.88 42.40 57.56 0.04 22.13 19.96 0.37 0.00 0.04 0.00 57.26 0.24 34 E E E 73.49 9.10 21.24 30.87 136.55 -3.18 -146.37 147.93 4.52 95.44 0.04 3.73 0.74 0.08 0.00 0.04 0.00 95.28 0.12 35 T E E 68.24 12.54 19.33 31.66 111.66 -125.93 -86.10 122.96 1.44 98.55 0.01 1.58 0.03 0.00 0.00 0.00 0.00 98.30 0.07 36 V E E 19.95 19.00 17.91 37.09 101.16 176.05 -99.25 -22.27 3.76 96.22 0.02 2.86 0.76 0.10 0.00 0.01 0.00 96.21 0.05 37 G E E 8.80 12.28 22.03 35.61 144.32 -45.65 162.24 178.52 2.96 97.02 0.02 2.03 0.72 0.12 0.00 0.02 0.00 97.09 0.04 38 T E E 44.63 13.07 21.66 35.10 133.62 -98.25 -136.02 151.67 2.90 97.09 0.02 2.61 0.24 0.03 0.00 0.01 0.00 96.93 0.17 39 Y E E 45.30 17.18 16.95 34.35 123.46 -149.27 -117.48 136.17 9.09 90.88 0.03 8.06 0.85 0.07 0.02 0.02 0.00 88.74 2.23 40 N C C 49.41 8.50 18.42 28.69 110.50 -158.56 -112.67 105.24 76.89 23.08 0.04 73.43 2.35 0.15 0.01 0.03 0.00 23.45 0.58 41 P C T 53.47 12.63 12.63 26.49 94.27 -169.47 -67.11 -20.42 93.56 4.62 1.83 20.54 32.34 40.56 0.17 1.82 0.00 3.99 0.58 42 V C S 108.70 2.53 14.37 17.57 97.90 56.54 -84.10 -22.46 95.90 2.04 2.05 10.21 43.38 42.50 0.20 1.82 0.00 1.28 0.61 43 A C S 65.32 4.04 11.68 17.17 113.10 52.41 -100.06 142.50 94.89 2.31 2.80 25.62 47.60 21.60 0.32 2.71 0.00 1.31 0.83 44 K C S 151.04 2.40 13.44 16.96 111.93 -64.56 -96.75 111.18 95.56 3.50 0.94 43.18 45.43 7.12 0.17 0.89 0.00 2.21 1.01 45 P C C 78.50 6.28 12.62 20.29 111.05 31.18 -71.76 147.94 92.12 4.42 3.46 36.69 31.28 24.18 0.42 3.45 0.00 3.37 0.61 46 A C C 51.77 10.02 12.47 23.42 110.05 -126.45 -79.74 128.43 80.69 15.52 3.79 54.32 13.37 11.88 0.44 3.87 0.00 15.33 0.79 47 E E E 106.18 6.54 17.73 25.31 117.55 -152.18 -103.19 129.89 44.71 52.67 2.62 38.44 4.54 1.70 0.64 1.97 0.00 51.14 1.57 48 V E E 31.26 19.61 12.61 31.44 124.34 -166.44 -119.77 137.30 20.01 79.53 0.46 18.09 1.35 0.29 0.26 0.24 0.00 77.98 1.78 49 K E E 119.46 4.91 23.45 29.42 121.98 -159.58 -115.72 134.85 14.05 85.73 0.22 12.29 1.48 0.24 0.13 0.11 0.00 84.22 1.53 50 I E E 20.41 23.15 11.86 34.51 120.02 -155.96 -107.61 133.22 30.89 69.00 0.11 29.71 1.13 0.07 0.09 0.05 0.00 64.80 4.15 51 D C C 70.26 5.84 21.16 27.62 106.60 -132.30 -84.66 107.53 89.84 10.00 0.17 90.16 0.56 0.05 0.12 0.02 0.00 8.69 0.40 52 E H H 85.19 14.25 14.12 28.32 93.44 -167.08 -63.25 -36.22 1.43 0.00 98.57 0.31 0.13 0.73 98.52 0.31 0.00 0.00 0.00 53 E H H 132.58 1.47 21.58 21.60 91.59 53.84 -63.22 -40.86 0.39 0.00 99.61 0.04 0.02 0.27 99.37 0.30 0.00 0.00 0.00 54 L H H 48.72 9.32 19.13 29.67 91.99 48.83 -65.55 -40.92 0.12 0.00 99.88 0.01 0.00 0.07 99.69 0.22 0.00 0.00 0.00 55 A H H 2.37 24.65 14.01 39.16 91.07 51.07 -63.24 -43.40 0.08 0.00 99.92 0.01 0.00 0.04 99.89 0.05 0.00 0.00 0.00 56 L H H 51.75 10.29 20.66 31.73 91.52 50.58 -63.37 -41.70 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 57 K H H 113.37 2.27 24.02 24.84 91.62 50.99 -63.75 -42.12 0.14 0.00 99.86 0.01 0.00 0.11 99.82 0.06 0.00 0.00 0.00 58 W H H 29.70 16.41 17.60 34.54 91.85 50.03 -64.33 -42.58 0.35 0.00 99.65 0.02 0.01 0.27 99.43 0.27 0.00 0.00 0.00 59 L H H 27.66 19.71 15.07 34.15 91.72 51.00 -64.62 -38.62 1.11 0.00 98.89 0.06 0.04 0.99 98.18 0.74 0.00 0.00 0.00 60 Q H H 129.19 2.94 18.87 22.72 90.65 55.84 -67.03 -25.40 10.73 0.01 89.26 0.21 0.29 10.75 87.97 0.77 0.01 0.00 0.01 61 T C T 85.85 3.85 17.27 21.81 94.58 53.63 -89.97 -0.18 81.60 0.04 18.36 0.46 1.95 77.77 19.06 0.71 0.00 0.01 0.04 62 G C T 42.54 5.59 18.90 25.26 100.95 -97.75 92.51 7.22 99.54 0.03 0.43 4.64 2.89 92.08 0.28 0.08 0.00 0.02 0.01 63 A C C 17.32 19.99 11.53 31.13 116.74 160.51 -71.01 143.91 98.11 1.83 0.06 97.02 1.25 0.12 0.02 0.02 0.00 1.18 0.39 64 K C C 136.28 3.16 24.27 27.96 116.88 -138.02 -101.36 128.07 87.98 12.00 0.02 87.66 1.39 0.05 0.01 0.01 0.00 9.71 1.18 65 P C C 31.94 21.64 12.55 33.17 116.90 -115.34 -69.08 148.57 83.22 16.74 0.05 84.74 0.66 0.04 0.02 0.01 0.00 10.40 4.13 66 S C C 32.20 10.19 16.69 28.19 121.59 -115.77 -75.46 164.14 98.36 1.55 0.09 98.25 0.50 0.03 0.05 0.01 0.00 0.60 0.55 67 D H H 115.00 1.89 18.28 20.32 90.70 -101.65 -60.33 -34.80 1.24 0.00 98.76 0.14 0.19 0.73 98.79 0.15 0.00 0.00 0.00 68 T H H 63.46 6.23 19.18 26.19 91.72 53.27 -64.70 -41.34 0.51 0.00 99.48 0.04 0.03 0.36 99.44 0.13 0.00 0.00 0.00 69 V H H 6.15 23.40 14.53 38.00 91.70 48.19 -64.80 -42.69 0.13 0.00 99.86 0.01 0.01 0.08 99.81 0.08 0.00 0.00 0.00 70 R H H 88.85 13.12 18.64 31.49 91.04 51.59 -61.81 -42.36 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 71 N H H 93.13 1.91 23.43 23.44 91.69 49.64 -64.41 -41.65 0.24 0.00 99.76 0.01 0.01 0.19 99.76 0.04 0.00 0.00 0.00 72 L H H 32.02 11.64 19.27 32.15 91.65 49.25 -64.32 -43.04 0.45 0.00 99.55 0.02 0.02 0.37 99.51 0.08 0.00 0.00 0.00 73 F H H 11.41 21.03 14.58 35.80 91.95 47.75 -64.93 -42.07 1.25 0.01 98.74 0.15 0.11 0.87 98.59 0.27 0.00 0.00 0.00 74 S H H 53.89 7.28 16.83 25.16 91.96 51.40 -64.17 -40.38 3.30 0.01 96.69 0.37 0.19 2.50 95.98 0.94 0.00 0.00 0.00 75 S H H 85.28 1.61 17.78 19.06 91.51 52.63 -66.76 -29.40 10.11 0.01 89.88 0.29 0.39 9.63 88.72 0.95 0.01 0.00 0.00 76 Q C T 85.81 8.28 14.08 23.54 93.55 51.63 -87.42 -2.14 78.26 0.02 21.72 0.38 2.31 75.03 21.24 1.00 0.00 0.00 0.03 77 G C T 41.85 4.18 18.24 23.24 96.10 -112.40 80.86 12.65 98.22 0.02 1.76 1.55 3.44 93.26 1.57 0.16 0.00 0.01 0.01 78 I H H 31.29 13.21 15.33 30.00 95.56 121.91 -74.54 -31.63 17.57 0.07 82.36 11.56 2.31 3.83 81.29 0.95 0.00 0.02 0.04 79 M H H 35.80 17.07 14.59 31.40 92.83 59.36 -63.91 -41.87 2.50 0.01 97.49 0.58 0.35 1.48 96.69 0.89 0.00 0.00 0.00 80 E H H 109.57 3.46 19.84 23.50 91.91 51.82 -63.70 -41.03 0.64 0.00 99.35 0.17 0.06 0.35 98.73 0.69 0.00 0.00 0.00 81 K H H 115.10 2.74 20.01 22.42 92.06 49.04 -65.59 -41.34 0.48 0.00 99.52 0.09 0.04 0.28 99.05 0.53 0.00 0.00 0.00 82 F H H 47.05 11.93 15.46 28.51 92.56 47.69 -66.24 -41.72 0.76 0.00 99.24 0.14 0.07 0.46 98.89 0.44 0.00 0.00 0.00 83 H H H 63.80 9.48 14.83 25.69 92.25 49.93 -64.56 -40.97 1.77 0.01 98.22 0.32 0.15 1.12 97.95 0.44 0.00 0.00 0.00 84 N H H 93.47 2.15 16.63 18.56 92.51 50.34 -65.81 -38.80 4.62 0.02 95.36 0.80 0.43 3.09 94.95 0.72 0.00 0.01 0.01 85 A H H 58.67 3.71 13.69 18.63 92.97 52.11 -66.91 -37.69 9.72 0.05 90.23 1.77 1.14 6.50 89.23 1.30 0.01 0.02 0.02 86 K H H 115.76 5.49 12.21 19.01 94.09 50.29 -71.84 -30.91 21.63 0.16 78.21 3.98 2.84 14.62 76.78 1.60 0.03 0.06 0.09 87 Q H H 117.51 3.51 10.70 15.65 99.09 48.76 -85.60 -9.32 45.97 0.46 53.57 10.43 8.25 27.47 51.60 1.78 0.04 0.16 0.29 88 G C C 55.02 2.31 10.47 14.21 105.68 64.08 -8.77 11.77 85.06 0.33 14.61 54.18 2.32 27.31 14.67 1.16 0.00 0.14 0.23 89 K C C 152.23 2.32 11.03 14.88 108.01 53.90 -84.91 104.90 99.95 0.02 0.02 99.85 0.07 0.05 0.01 0.00 0.00 0.01 0.00