# 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 103.56 7.79 14.97 23.70 113.05 -153.98 -88.96 127.36 99.88 0.12 0.00 99.87 0.05 0.01 0.00 0.00 0.00 0.07 0.00 1 R C C 106.71 10.06 14.71 25.54 118.53 -157.23 -100.60 135.08 62.47 37.47 0.05 61.32 0.70 0.17 0.01 0.04 0.00 36.80 0.97 2 T E E 58.61 9.92 18.60 29.17 121.51 -148.33 -106.41 137.60 26.80 73.16 0.04 24.09 1.75 0.13 0.01 0.03 0.00 73.52 0.48 3 Y E E 23.43 20.06 16.08 36.15 130.49 -171.14 -127.30 147.64 5.40 94.59 0.01 5.14 0.21 0.01 0.00 0.00 0.00 94.47 0.16 4 E E E 47.79 12.84 24.42 37.54 123.38 -153.39 -115.57 136.78 1.94 98.05 0.00 1.82 0.08 0.00 0.00 0.00 0.00 98.07 0.03 5 V E E 7.21 23.44 20.57 43.96 123.48 -163.68 -118.08 132.82 1.30 98.70 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.69 0.01 6 M E E 23.74 17.35 25.86 42.86 122.53 -163.95 -115.70 133.39 0.77 99.23 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.25 0.01 7 Y E E 8.50 24.09 24.05 47.52 125.29 -167.37 -121.13 135.31 0.23 99.77 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 8 I E E 13.34 20.09 27.24 46.73 117.01 -158.98 -108.30 124.31 0.18 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.01 9 V E E 5.41 23.81 20.86 44.56 130.32 -176.70 -124.98 148.74 1.52 98.48 0.00 1.54 0.03 0.00 0.00 0.00 0.00 98.23 0.20 10 R C C 59.71 12.70 21.81 34.90 112.11 -106.60 -71.54 135.09 84.03 15.97 0.01 84.17 0.48 0.02 0.00 0.00 0.00 15.07 0.25 11 P C T 52.77 13.54 16.06 30.08 93.22 -120.64 -62.53 -25.93 97.92 1.51 0.57 2.53 9.13 86.27 0.02 0.57 0.00 1.33 0.14 12 N C T 121.24 1.71 20.38 21.45 94.12 59.08 -86.18 5.40 99.10 0.41 0.50 3.46 9.15 86.48 0.03 0.52 0.00 0.29 0.06 13 I C C 29.87 18.56 7.89 25.35 118.04 115.84 -79.50 141.24 98.19 1.35 0.45 62.05 35.71 0.37 0.22 0.17 0.00 0.39 1.08 14 E C C 121.78 1.71 18.31 18.81 115.59 -105.18 -69.73 150.15 99.63 0.11 0.25 99.36 0.29 0.08 0.17 0.01 0.00 0.03 0.06 15 E H H 130.11 4.57 12.14 18.88 92.01 -110.45 -57.18 -39.99 2.35 0.00 97.64 0.41 0.28 1.39 97.11 0.81 0.00 0.00 0.00 16 D H H 112.84 0.89 16.96 16.07 92.22 51.95 -64.69 -38.55 1.50 0.00 98.50 0.19 0.12 1.03 97.63 1.03 0.00 0.00 0.00 17 A H H 36.99 7.85 15.07 24.65 92.17 49.22 -66.17 -39.96 0.69 0.00 99.31 0.15 0.06 0.38 98.58 0.84 0.00 0.00 0.00 18 K H H 47.69 17.34 13.88 30.71 91.46 52.33 -62.68 -42.61 0.41 0.00 99.58 0.09 0.03 0.20 99.51 0.17 0.00 0.00 0.00 19 K H H 117.09 3.67 21.19 25.19 91.51 50.59 -63.89 -41.26 0.33 0.00 99.67 0.06 0.02 0.16 99.71 0.06 0.00 0.00 0.00 20 A H H 48.17 3.08 22.15 24.73 91.39 50.46 -63.45 -42.05 0.28 0.00 99.72 0.04 0.01 0.17 99.74 0.05 0.00 0.00 0.00 21 L H H 15.45 18.44 18.66 37.26 91.75 49.69 -63.96 -42.94 0.24 0.00 99.76 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 22 V H H 19.72 18.98 19.19 37.85 91.39 50.08 -62.81 -42.95 0.11 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 23 E H H 116.37 2.34 24.64 26.06 91.34 50.54 -63.70 -41.55 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 24 R H H 106.46 7.01 23.14 30.40 91.77 49.62 -64.70 -41.40 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 25 F H H 5.35 25.27 17.82 43.11 91.59 49.14 -64.62 -42.74 0.17 0.00 99.83 0.01 0.01 0.12 99.85 0.02 0.00 0.00 0.00 26 N H H 57.12 14.36 20.87 34.50 91.28 51.95 -62.28 -40.60 0.26 0.00 99.74 0.02 0.01 0.17 99.78 0.03 0.00 0.00 0.00 27 G H H 35.87 2.54 24.25 25.49 92.09 51.04 -64.08 -41.89 0.86 0.00 99.14 0.05 0.03 0.64 99.22 0.06 0.00 0.00 0.00 28 I H H 27.98 13.23 20.24 34.27 92.12 49.63 -64.67 -43.22 1.02 0.00 98.97 0.07 0.07 0.74 99.02 0.10 0.00 0.00 0.00 29 L H H 5.25 24.60 13.98 38.79 91.93 49.60 -64.25 -42.01 1.69 0.04 98.27 0.27 0.18 1.13 98.02 0.37 0.01 0.01 0.01 30 A H H 64.44 6.33 18.52 25.77 91.94 51.80 -64.49 -40.05 2.66 0.02 97.31 0.43 0.17 1.96 96.10 1.32 0.00 0.02 0.01 31 T H H 106.67 1.46 19.84 20.45 90.99 53.96 -67.37 -27.01 12.21 0.03 87.75 0.31 0.39 12.20 85.85 1.18 0.03 0.01 0.02 32 E C T 67.11 12.92 14.76 28.24 94.66 49.90 -93.47 5.31 84.08 0.03 15.89 0.21 0.94 83.57 14.41 0.83 0.00 0.01 0.03 33 G C T 44.09 3.71 22.72 26.64 98.29 -99.62 89.40 10.63 99.89 0.01 0.10 0.49 0.85 98.60 0.02 0.02 0.00 0.00 0.00 34 A C C 7.65 23.91 9.85 33.07 121.46 137.05 -88.46 151.58 86.84 13.15 0.02 85.80 0.92 0.04 0.00 0.01 0.00 13.03 0.19 35 E E E 106.62 3.44 25.38 28.61 118.25 -138.78 -106.99 134.42 12.59 87.39 0.02 12.14 0.38 0.03 0.01 0.01 0.00 87.24 0.20 36 V E E 45.09 19.89 12.86 32.04 110.38 -126.58 -81.69 121.40 1.26 98.74 0.00 1.31 0.02 0.00 0.00 0.00 0.00 98.63 0.04 37 L E E 82.51 5.95 18.80 25.97 100.66 176.09 -93.59 -34.30 1.83 98.17 0.00 1.28 0.32 0.02 0.00 0.00 0.00 98.38 0.01 38 E E E 92.73 4.31 22.36 27.40 138.89 -2.31 -154.72 151.81 0.67 99.32 0.00 0.50 0.06 0.00 0.00 0.00 0.00 99.42 0.00 39 A E E 41.22 20.12 11.54 30.01 128.18 -167.68 -134.22 136.91 1.00 98.99 0.01 0.86 0.05 0.00 0.00 0.00 0.00 99.07 0.01 40 K E E 101.24 4.97 20.64 26.64 127.89 -173.93 -131.42 140.40 2.16 97.84 0.01 1.72 0.19 0.01 0.00 0.00 0.00 98.05 0.02 41 D E E 92.60 7.36 15.93 24.85 111.63 -123.31 -82.65 123.33 6.79 93.19 0.02 5.87 0.37 0.03 0.00 0.01 0.00 93.67 0.06 42 W E E 90.04 12.69 13.28 26.64 100.72 175.51 -101.47 -3.20 18.01 81.75 0.24 15.80 1.17 0.29 0.08 0.11 0.00 82.37 0.20 43 G E E 30.34 4.01 18.79 23.69 126.60 -126.37 90.18 -168.32 13.03 86.71 0.26 6.79 5.73 0.96 0.06 0.17 0.00 86.06 0.24 44 K E E 130.75 6.05 15.34 23.11 116.40 -31.96 -86.37 135.10 6.02 93.64 0.34 4.70 0.92 0.23 0.15 0.13 0.00 93.75 0.13 45 R E E 90.00 10.95 13.62 25.76 130.30 -174.48 -132.78 146.02 3.13 96.56 0.31 2.69 0.27 0.11 0.16 0.09 0.00 96.57 0.11 46 R E E 156.70 3.16 17.73 22.06 114.10 -120.05 -83.26 132.56 4.36 95.40 0.24 4.02 0.25 0.09 0.16 0.06 0.00 95.18 0.24 47 L E E 39.84 17.45 8.38 24.92 113.78 -124.69 -78.78 136.88 38.83 60.71 0.46 36.96 1.10 0.22 0.21 0.16 0.00 60.80 0.55 48 A C S 78.03 2.72 16.03 19.43 95.33 -147.88 -76.29 -23.93 67.03 32.75 0.21 22.13 41.35 2.90 0.02 0.20 0.00 33.02 0.39 49 Y C S 119.96 4.00 15.28 20.46 132.15 31.47 -136.49 155.93 58.79 41.02 0.19 10.11 46.44 2.51 0.02 0.16 0.00 40.22 0.53 50 E C C 127.38 4.45 13.48 19.70 114.37 -104.87 -80.34 133.25 56.09 43.47 0.44 51.83 3.10 0.57 0.12 0.32 0.00 42.09 1.98 51 I C C 54.43 12.99 8.64 21.83 118.97 -173.48 -123.83 122.57 57.31 41.71 0.99 51.38 3.89 1.26 0.37 0.71 0.00 30.52 11.86 52 N C T 124.95 2.10 14.15 16.74 99.28 -26.00 52.55 34.01 92.46 3.93 3.61 9.53 26.46 56.37 0.23 3.77 0.00 3.08 0.55 53 D C T 122.89 1.74 14.41 16.63 96.52 -42.95 50.48 14.72 91.78 4.90 3.32 9.70 26.28 55.45 0.16 3.75 0.00 4.18 0.47 54 F E E 64.84 12.68 10.83 24.29 119.65 108.87 -106.96 133.65 38.92 60.08 1.00 31.94 5.12 1.86 0.17 0.93 0.00 57.99 1.98 55 K E E 97.73 8.35 17.41 26.73 105.07 -167.13 -104.97 -8.64 27.38 72.52 0.10 21.61 4.65 0.63 0.02 0.09 0.00 72.53 0.48 56 D E E 59.39 9.33 21.13 30.93 129.55 26.25 -123.51 145.43 13.05 86.90 0.06 9.32 3.29 0.41 0.01 0.04 0.00 86.77 0.16 57 G E E 6.71 17.70 18.27 36.23 141.65 157.26 -160.18 174.51 5.25 94.73 0.02 4.22 0.75 0.05 0.00 0.01 0.00 94.91 0.06 58 F E E 34.77 14.37 22.69 37.86 127.89 -102.65 -125.04 143.89 0.88 99.12 0.00 0.80 0.04 0.00 0.00 0.00 0.00 99.14 0.02 59 Y E E 33.11 18.00 21.12 38.94 122.02 -153.52 -112.00 134.72 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 60 N E E 15.31 18.61 21.33 40.11 125.80 -169.08 -122.03 138.67 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 61 I E E 28.20 14.82 23.87 39.21 118.66 -159.37 -111.80 126.78 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 62 V E E 9.02 21.84 20.36 42.32 120.95 -167.31 -114.77 130.62 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 63 R E E 72.50 11.22 26.03 37.51 117.08 -160.02 -108.36 125.08 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 64 V E E 7.42 23.62 17.77 41.58 124.83 -171.48 -119.34 137.05 0.48 99.52 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.53 0.01 65 K E E 83.77 8.94 24.97 34.15 124.25 -167.55 -119.77 136.52 3.38 96.61 0.01 2.95 0.25 0.02 0.00 0.00 0.00 96.65 0.13 66 S E E 13.86 19.00 13.70 32.64 135.43 169.55 -142.91 158.80 40.38 59.39 0.23 35.66 3.25 0.47 0.06 0.16 0.00 59.67 0.74 67 D C S 104.48 3.29 19.57 23.24 97.29 -128.69 -78.83 -13.16 91.00 7.93 1.07 41.71 43.01 6.12 0.33 0.64 0.00 7.63 0.55 68 N C C 75.23 7.02 16.38 24.30 122.23 41.33 -112.41 137.90 86.47 1.30 12.22 38.28 34.29 14.43 8.07 3.68 0.00 0.64 0.60 69 N C H 97.45 8.13 14.49 23.76 95.10 -136.82 -67.89 -25.17 55.05 0.58 44.37 22.60 14.02 18.84 36.76 7.17 0.02 0.26 0.32 70 K H H 129.57 2.80 19.84 22.55 93.52 62.53 -69.70 -27.59 44.80 0.73 54.48 22.40 8.45 14.22 48.59 5.63 0.02 0.36 0.32 71 A H H 15.00 16.07 15.67 32.31 93.64 57.26 -68.29 -36.13 29.30 0.65 70.06 21.21 3.75 5.38 64.94 4.16 0.00 0.33 0.22 72 T H H 20.61 19.04 15.74 34.34 92.30 56.67 -63.60 -42.26 12.46 0.28 87.27 8.35 1.89 2.88 84.41 2.25 0.00 0.15 0.07 73 D H H 85.41 2.99 22.85 25.22 92.05 51.04 -64.39 -40.03 6.04 0.15 93.82 3.32 0.95 2.09 91.80 1.70 0.01 0.09 0.04 74 E H H 77.22 6.86 21.28 28.73 91.90 50.61 -64.90 -41.31 3.85 0.10 96.04 1.77 0.57 1.71 94.29 1.57 0.01 0.07 0.02 75 F H H 7.74 24.37 15.34 39.85 91.86 50.11 -64.77 -42.64 2.81 0.08 97.11 1.13 0.40 1.35 95.60 1.43 0.01 0.06 0.02 76 Q H H 71.84 13.07 19.11 31.81 91.47 52.78 -62.87 -40.39 3.57 0.09 96.34 1.18 0.41 1.90 94.88 1.54 0.01 0.06 0.02 77 R H H 152.63 1.75 22.38 22.87 92.34 50.66 -65.81 -38.73 6.45 0.09 93.46 1.17 0.60 4.48 91.62 2.04 0.02 0.05 0.02 78 L H H 47.60 13.29 18.13 31.67 92.93 49.35 -70.41 -34.30 10.42 0.13 89.45 1.45 1.03 7.74 87.85 1.79 0.03 0.07 0.04 79 A H H 12.32 22.05 12.98 34.24 96.79 60.07 -78.47 -15.03 36.89 2.42 60.69 10.65 5.69 21.39 57.30 2.69 0.12 1.29 0.87 80 K C T 129.76 4.95 20.92 26.54 99.84 -149.61 -68.33 52.98 70.76 4.80 24.44 28.12 5.85 34.82 23.55 3.18 0.02 3.19 1.27 81 I C C 73.69 12.77 13.48 26.36 109.68 114.76 -91.06 105.81 77.55 7.81 14.64 50.93 15.44 10.19 13.29 2.77 0.02 4.40 2.95 82 S C C 48.35 7.99 14.99 24.13 126.68 143.81 -117.59 160.49 84.83 5.12 10.05 65.66 11.27 7.29 7.33 3.33 0.00 3.16 1.96 83 D C T 111.32 4.05 15.38 20.93 94.97 -116.24 -71.64 -14.63 71.00 1.66 27.34 10.72 16.52 44.03 13.91 13.01 0.09 1.01 0.71 84 D C T 81.25 7.67 16.58 25.06 96.91 65.35 -83.17 -7.99 68.65 4.19 27.16 13.91 12.14 42.38 14.72 12.55 0.10 3.26 0.96 85 I E E 32.46 18.97 13.01 31.57 114.02 84.53 -95.26 123.36 38.24 40.06 21.70 21.88 9.57 9.36 14.74 7.35 0.76 31.34 5.00 86 I E E 61.22 12.88 18.08 31.08 107.17 -154.78 -93.32 55.91 35.20 50.85 13.96 25.89 5.61 3.64 11.60 3.30 0.08 47.56 2.31 87 R E E 94.92 11.62 20.10 31.43 118.69 -1.86 -113.79 139.43 34.92 51.43 13.65 25.59 5.22 3.46 9.59 3.51 0.02 51.64 0.96 88 Y E E 67.86 17.01 16.58 33.08 126.58 -162.16 -123.66 137.21 29.60 57.73 12.67 21.67 4.65 2.90 8.39 3.32 0.02 58.31 0.74 89 M E E 58.15 12.61 20.71 33.74 124.68 -169.60 -120.27 135.83 20.49 72.08 7.43 16.23 2.00 1.68 5.20 1.71 0.00 72.56 0.61 90 V E E 41.52 16.46 17.86 34.36 120.12 -157.07 -111.52 128.62 14.71 83.00 2.29 12.91 0.93 0.50 2.05 0.47 0.00 82.50 0.65 91 I E E 50.02 12.01 18.41 31.45 124.34 -169.77 -119.07 137.91 13.72 85.00 1.28 12.48 0.90 0.35 1.20 0.32 0.00 83.76 0.98 92 R E E 108.57 9.70 16.25 26.82 114.75 -130.54 -88.84 133.24 24.65 73.05 2.30 22.15 1.60 0.72 1.84 0.69 0.00 71.61 1.38 93 E C C 89.88 10.33 12.23 23.34 104.40 -134.81 -77.53 18.36 68.45 17.78 13.77 49.35 11.58 7.37 5.41 7.67 0.01 17.45 1.15 94 D C C 99.53 3.49 12.57 17.35 105.89 66.28 -85.94 51.44 77.66 6.25 16.09 47.83 17.64 12.58 4.76 11.10 0.01 5.02 1.05 95 E C C 120.12 5.36 9.75 16.60 103.62 91.15 -84.61 9.10 78.99 3.79 17.22 50.42 16.15 12.56 4.96 12.22 0.01 2.75 0.94 96 D C C 101.75 3.67 9.45 14.87 106.72 90.59 -84.86 82.68 90.20 1.63 8.18 80.42 2.82 8.03 3.47 3.66 0.00 1.05 0.55 97 K C C 143.41 3.48 11.53 16.68 106.95 -147.78 -83.79 89.94 99.87 0.05 0.08 99.72 0.09 0.11 0.04 0.01 0.00 0.02 0.01