# 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 82.99 11.40 15.56 27.21 121.32 -169.13 -105.82 138.52 99.87 0.13 0.00 99.89 0.03 0.00 0.00 0.00 0.00 0.07 0.00 1 K C C 89.57 9.51 16.45 26.79 122.47 -162.18 -110.39 139.19 57.34 42.58 0.08 55.77 0.66 0.28 0.02 0.05 0.00 42.54 0.69 2 V E E 55.40 11.77 16.56 29.19 121.10 -152.99 -109.53 133.44 21.05 78.90 0.05 18.28 1.74 0.18 0.01 0.04 0.00 79.27 0.48 3 V E E 21.08 16.76 16.72 34.30 121.43 -163.22 -112.38 132.87 8.54 91.45 0.01 7.70 0.42 0.03 0.00 0.01 0.00 91.73 0.12 4 K E E 81.51 9.88 22.29 32.49 118.15 -153.46 -104.13 130.12 4.89 95.10 0.01 4.13 0.47 0.03 0.00 0.00 0.00 95.32 0.04 5 Y E E 19.87 20.94 16.49 37.46 128.94 -173.73 -126.58 144.01 1.78 98.21 0.00 1.52 0.13 0.01 0.00 0.00 0.00 98.31 0.02 6 V E E 42.89 9.81 24.20 34.94 119.24 -151.93 -113.21 128.19 0.79 99.21 0.00 0.68 0.04 0.00 0.00 0.00 0.00 99.27 0.01 7 L E E 6.70 23.89 16.82 41.18 122.65 -166.25 -115.24 134.15 0.57 99.43 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.00 8 T E E 39.12 9.09 25.56 35.47 121.55 -163.68 -115.45 132.26 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 9 A E E 4.38 23.77 16.15 40.36 128.96 -173.48 -125.43 144.61 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 10 K E E 78.14 7.98 25.04 33.51 119.81 -154.33 -112.64 129.85 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 11 I E E 9.99 22.36 14.38 37.20 123.73 -166.98 -118.36 137.24 0.41 99.59 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 12 D E E 63.01 6.20 20.63 27.74 117.46 -155.47 -109.23 126.38 3.10 96.89 0.01 2.57 0.18 0.02 0.00 0.00 0.00 97.18 0.04 13 Y E E 53.18 15.67 10.31 25.98 119.57 174.96 -131.16 118.70 9.25 90.59 0.16 4.67 2.76 1.52 0.02 0.15 0.00 90.47 0.42 14 D C T 124.81 1.47 13.52 15.60 92.65 -19.94 52.66 42.65 99.45 0.30 0.25 0.45 4.85 94.19 0.00 0.25 0.00 0.22 0.03 15 G C T 67.29 0.55 12.80 12.21 94.53 -48.64 78.82 3.18 99.62 0.12 0.26 0.55 5.62 93.45 0.01 0.27 0.00 0.08 0.02 16 K E E 118.44 3.31 11.95 17.35 124.01 106.71 -111.73 144.68 10.31 89.64 0.05 6.06 3.83 0.53 0.01 0.04 0.00 89.04 0.49 17 E E E 124.60 5.16 12.94 20.14 114.52 -130.95 -89.90 130.19 6.32 93.67 0.00 5.50 0.30 0.02 0.00 0.00 0.00 94.12 0.06 18 I E E 46.17 12.43 12.54 26.38 123.86 -171.80 -120.15 137.28 4.40 95.60 0.00 4.00 0.12 0.01 0.00 0.00 0.00 95.85 0.03 19 E E E 107.62 6.88 17.62 25.96 119.37 -152.12 -108.50 130.64 1.32 98.68 0.00 1.15 0.05 0.00 0.00 0.00 0.00 98.78 0.01 20 I E E 29.65 16.58 14.18 31.40 122.32 -170.23 -118.96 132.75 0.81 99.19 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.25 0.01 21 K E E 115.05 7.23 18.71 27.37 120.02 -158.83 -110.05 131.35 1.27 98.72 0.01 1.07 0.06 0.01 0.00 0.00 0.00 98.84 0.02 22 R E E 61.86 15.10 15.31 30.56 130.28 176.32 -132.97 145.84 6.21 93.75 0.03 5.41 0.40 0.04 0.01 0.01 0.00 94.04 0.09 23 S E E 57.87 7.12 21.14 28.74 119.10 -139.69 -99.61 137.94 16.87 82.84 0.28 13.84 2.19 0.48 0.08 0.17 0.00 82.87 0.37 24 F E E 35.16 19.64 12.67 31.65 120.59 -162.84 -110.81 139.43 37.35 58.16 4.49 29.13 6.81 3.09 2.09 2.42 0.02 54.03 2.41 25 R C E 127.24 6.42 18.60 25.63 108.31 -149.65 -91.86 79.11 58.06 35.78 6.16 28.74 21.69 10.33 2.01 3.71 0.06 31.38 2.08 26 H C C 99.41 8.42 17.13 26.08 112.39 14.00 -95.19 115.49 63.50 28.50 8.00 35.33 18.24 11.72 3.00 4.73 0.06 23.74 3.18 27 R C C 84.84 14.59 12.93 27.12 108.98 -167.79 -88.73 107.03 66.58 19.40 14.01 52.31 8.73 4.64 10.09 5.00 0.02 15.06 4.15 28 K C T 127.49 4.16 17.68 22.59 98.63 71.89 -71.98 -31.36 68.82 5.71 25.47 15.06 17.16 36.97 19.01 6.13 0.26 3.81 1.60 29 N C T 71.22 7.43 18.17 26.35 98.80 38.49 -82.76 6.99 69.91 2.79 27.31 23.93 10.21 36.21 21.62 5.34 0.06 1.59 1.04 30 I H H 14.57 21.94 13.88 35.47 93.86 109.03 -63.77 -41.42 4.83 0.09 95.07 2.90 0.72 1.49 93.61 1.20 0.00 0.05 0.02 31 F H H 81.79 11.61 19.30 31.02 92.02 53.59 -63.45 -41.47 1.26 0.04 98.70 0.50 0.15 0.59 97.94 0.79 0.00 0.03 0.00 32 E H H 104.19 2.59 23.33 24.67 91.98 49.99 -65.25 -40.88 0.78 0.04 99.18 0.28 0.09 0.41 98.31 0.86 0.00 0.04 0.00 33 F H H 30.96 15.24 18.93 34.59 92.09 50.03 -64.72 -42.91 0.90 0.05 99.06 0.29 0.10 0.50 98.52 0.54 0.00 0.04 0.00 34 L H H 13.75 22.08 17.35 38.96 92.11 49.97 -64.03 -41.76 1.57 0.08 98.35 0.48 0.18 0.89 97.93 0.43 0.01 0.05 0.02 35 K H H 111.12 5.02 22.28 27.72 91.80 51.13 -64.11 -40.57 3.70 0.08 96.23 0.76 0.36 2.45 95.80 0.55 0.02 0.04 0.02 36 N H H 82.32 3.93 22.84 26.38 92.67 48.67 -66.83 -38.47 8.96 0.12 90.93 1.71 0.90 6.14 90.18 0.93 0.03 0.06 0.05 37 A H H 11.17 18.75 16.57 35.33 93.14 51.64 -66.19 -40.56 14.77 0.38 84.85 4.69 2.37 7.96 83.06 1.51 0.06 0.20 0.14 38 D H H 47.73 14.66 18.43 32.47 93.63 52.53 -65.47 -39.38 23.06 0.74 76.20 9.91 3.67 10.26 72.37 3.07 0.04 0.42 0.25 39 S H H 71.74 2.52 21.34 23.04 93.41 52.24 -67.32 -37.82 29.41 0.76 69.83 8.05 4.76 17.00 64.26 5.10 0.09 0.44 0.29 40 N H H 86.62 6.19 19.62 26.22 95.80 44.83 -76.09 -28.09 37.16 0.91 61.93 10.30 6.21 21.30 56.22 5.02 0.09 0.50 0.36 41 L H H 27.53 20.12 13.74 32.80 96.25 54.14 -77.36 -22.63 42.94 1.45 55.61 20.78 8.82 14.70 49.23 5.09 0.05 0.76 0.57 42 K H H 115.66 7.58 19.40 27.75 96.04 77.17 -65.10 -36.78 36.27 1.53 62.20 14.49 6.57 16.59 55.32 5.48 0.09 0.91 0.55 43 G H H 37.95 4.66 20.91 25.45 96.56 48.29 -60.68 -41.78 37.21 1.34 61.44 13.13 6.73 18.40 54.20 6.17 0.09 0.81 0.47 44 A H H 34.06 11.00 19.35 30.93 94.71 50.96 -68.02 -38.41 28.68 2.72 68.60 15.80 5.73 9.00 61.30 5.55 0.08 1.87 0.67 45 L H H 26.37 19.33 16.69 35.08 94.74 51.83 -68.46 -38.41 22.93 4.68 72.39 14.59 3.98 6.04 66.63 4.20 0.06 3.66 0.84 46 S H H 49.12 8.15 19.69 28.38 93.86 54.80 -65.50 -40.98 15.45 3.19 81.36 10.46 2.33 3.98 76.16 3.70 0.03 2.96 0.39 47 E H H 105.88 3.05 21.32 23.74 92.99 49.83 -66.55 -40.26 10.67 3.10 86.22 5.72 1.71 4.16 80.67 4.12 0.05 3.25 0.32 48 Y H H 64.27 11.11 17.59 29.56 93.22 49.70 -67.15 -39.39 10.18 2.80 87.02 5.28 1.67 4.14 81.47 4.15 0.05 2.93 0.31 49 A H H 21.12 15.35 14.01 29.68 92.83 52.70 -65.99 -38.63 14.12 2.31 83.56 7.32 2.23 5.64 78.74 3.58 0.06 2.06 0.39 50 K H H 126.27 3.51 17.49 21.64 93.40 52.69 -67.93 -34.99 22.71 2.17 75.12 8.58 3.50 11.72 70.61 3.32 0.11 1.67 0.50 51 Q H H 113.66 3.05 16.20 19.71 95.44 52.79 -73.98 -26.02 33.91 1.89 64.20 9.85 6.04 19.04 59.93 3.22 0.15 1.21 0.56 52 N C H 73.03 10.10 12.64 23.33 102.01 58.70 -84.06 23.50 51.13 2.93 45.95 20.47 9.10 21.72 42.65 3.32 0.07 1.84 0.81 53 K C H 131.09 4.94 14.81 20.99 101.40 95.38 -72.66 26.51 54.54 8.18 37.28 29.37 10.55 14.88 32.69 4.72 0.10 5.97 1.73 54 V C C 67.96 9.74 11.83 22.46 108.58 126.14 -88.71 111.82 53.57 12.02 34.40 30.69 11.24 12.11 28.96 5.43 0.14 9.01 2.41 55 K C C 128.35 4.90 14.28 20.49 106.07 -135.84 -86.10 63.40 57.37 11.31 31.32 33.75 11.12 12.59 25.12 6.43 0.11 8.42 2.47 56 S C C 62.56 7.96 12.02 20.97 106.82 75.06 -87.47 57.52 64.54 7.50 27.96 37.15 12.24 15.29 18.41 9.65 0.05 5.07 2.13 57 S C T 73.74 5.13 13.34 19.83 104.56 114.12 -85.83 20.55 73.30 4.57 22.13 25.35 18.76 30.40 11.41 9.72 0.06 2.75 1.54 58 D C C 101.25 4.27 14.99 20.54 103.35 120.38 -89.37 30.92 80.52 4.76 14.72 33.16 21.83 26.74 6.36 7.54 0.02 2.77 1.57 59 L C C 51.85 13.94 11.44 25.66 116.72 131.24 -92.66 134.41 89.27 5.37 5.35 51.42 35.09 3.27 3.77 1.60 0.00 2.86 2.00 60 P C C 66.02 6.97 17.09 25.12 109.42 -110.61 -69.02 143.55 83.34 4.83 11.83 66.58 8.10 8.56 6.12 5.82 0.00 3.29 1.53 61 L C C 79.75 12.19 14.18 26.33 103.33 -123.80 -74.00 4.66 59.25 8.18 32.57 30.26 13.12 17.30 11.08 20.70 0.11 5.15 2.27 62 N C G 87.52 8.69 17.12 26.10 99.53 62.79 -81.73 6.59 50.54 10.72 38.75 24.24 12.27 16.58 11.01 25.84 0.10 8.13 1.83 63 E C G 85.06 10.70 17.60 28.51 104.37 94.90 -89.26 0.10 43.97 18.52 37.51 23.22 11.29 12.85 9.91 24.86 0.15 15.88 1.85 64 F C E 67.38 14.03 18.88 32.64 112.82 51.24 -96.37 120.30 39.03 36.30 24.68 23.19 9.22 10.05 8.21 14.67 0.21 32.13 2.34 65 I E E 16.74 22.63 15.80 38.05 121.67 -149.12 -110.12 131.94 36.11 61.33 2.57 28.74 5.47 1.48 1.45 1.02 0.00 60.71 1.14 66 T E E 66.41 7.83 25.31 33.59 122.22 -160.41 -110.87 134.71 17.75 81.38 0.87 15.10 1.78 0.66 0.46 0.39 0.00 80.49 1.13 67 C E E 24.07 21.33 14.13 34.72 119.16 -149.42 -102.70 134.91 16.76 82.85 0.39 13.32 2.83 0.71 0.14 0.22 0.00 82.07 0.71 68 G E E 25.89 8.28 19.96 28.79 131.13 -164.11 -112.87 -173.61 17.58 82.30 0.12 11.59 5.62 0.52 0.02 0.08 0.00 81.87 0.30 69 E E E 128.61 3.24 20.86 24.50 117.12 -58.33 -84.44 141.92 17.01 82.94 0.05 14.58 1.48 0.14 0.01 0.04 0.00 83.59 0.18 70 I E E 53.30 19.71 10.29 28.66 120.25 -141.92 -103.34 134.35 12.44 87.52 0.04 12.09 0.36 0.04 0.01 0.01 0.00 87.33 0.16 71 E E E 102.98 3.72 19.53 23.99 127.33 -174.99 -129.11 146.17 2.48 97.50 0.02 2.16 0.18 0.03 0.00 0.01 0.00 97.53 0.09 72 E E E 110.62 9.66 11.24 22.06 117.38 -141.08 -103.52 129.38 4.52 95.43 0.06 3.65 0.44 0.09 0.01 0.03 0.00 95.71 0.08 73 E E E 108.10 3.94 12.03 18.00 122.02 170.07 -134.65 125.64 9.97 89.75 0.28 5.93 2.65 1.47 0.05 0.23 0.00 89.20 0.49 74 Q C T 163.72 0.49 13.51 12.41 93.88 -15.96 51.77 45.62 98.97 0.72 0.31 0.76 5.55 92.73 0.01 0.33 0.00 0.56 0.07 75 G C T 44.65 6.12 12.57 19.95 95.01 -44.82 80.68 1.66 99.59 0.21 0.20 0.77 6.44 92.38 0.01 0.22 0.00 0.17 0.02 76 V E E 52.85 9.46 15.11 26.31 124.53 103.35 -114.69 138.60 4.14 95.84 0.01 2.64 1.11 0.11 0.00 0.01 0.00 95.90 0.22 77 M E E 30.29 16.87 14.50 32.28 115.95 -137.16 -95.55 130.07 0.62 99.38 0.00 0.50 0.03 0.00 0.00 0.00 0.00 99.46 0.01 78 R E E 82.23 10.08 21.59 32.30 124.32 -169.67 -119.86 135.60 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.00 79 T E E 18.77 19.38 16.17 35.65 126.36 -170.72 -123.74 139.27 0.63 99.37 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.45 0.01 80 E E E 74.22 8.07 24.14 32.71 121.40 -160.91 -114.87 132.78 1.92 98.07 0.01 1.64 0.10 0.01 0.00 0.00 0.00 98.19 0.05 81 C E E 14.03 20.99 13.16 34.04 121.57 -160.27 -111.74 134.93 13.80 86.12 0.07 12.31 0.97 0.14 0.02 0.04 0.00 86.13 0.40 82 K C E 118.97 4.57 21.22 26.41 117.20 -170.60 -118.36 123.94 51.89 47.57 0.54 35.85 13.04 3.53 0.09 0.52 0.00 45.84 1.13 83 G C S 29.50 10.04 14.52 25.12 128.43 70.21 126.75 -176.93 84.45 13.43 2.11 22.98 39.60 22.23 0.19 2.07 0.00 11.63 1.30 84 K C S 145.70 3.35 16.36 20.63 100.02 -75.38 -81.44 -11.39 91.86 4.54 3.60 21.11 41.87 29.11 0.38 3.38 0.00 3.18 0.96 85 E C S 109.30 6.04 16.00 23.02 110.98 47.57 -92.29 105.95 90.09 5.74 4.17 18.91 41.52 30.01 0.46 3.71 0.00 4.38 1.00 86 K C C 115.79 7.59 18.07 26.28 109.30 -95.72 -82.77 111.75 74.12 23.51 2.36 32.83 24.00 18.22 0.33 2.09 0.00 21.14 1.39 87 V E E 21.67 19.49 13.82 33.15 122.96 -171.24 -115.96 136.04 43.93 55.52 0.55 36.36 5.60 1.29 0.14 0.40 0.00 55.00 1.20 88 S E E 40.08 9.76 23.43 33.58 125.44 -169.52 -119.41 140.94 20.45 79.23 0.32 17.04 2.57 0.59 0.10 0.18 0.00 78.95 0.57 89 V E E 12.55 23.04 15.83 38.83 126.43 -165.76 -125.63 137.16 9.80 90.08 0.12 8.39 1.07 0.16 0.04 0.05 0.00 90.07 0.21 90 K E E 90.57 7.67 25.28 33.41 120.54 -159.97 -114.08 130.37 5.92 93.99 0.09 5.28 0.40 0.08 0.03 0.03 0.00 94.06 0.12 91 I E E 10.38 24.34 15.43 39.92 122.73 -167.95 -117.70 132.33 4.78 95.15 0.07 4.46 0.22 0.04 0.02 0.02 0.00 95.14 0.09 92 E E E 71.90 7.47 25.71 33.69 122.86 -166.59 -117.85 133.64 4.57 95.36 0.07 4.19 0.21 0.04 0.02 0.02 0.00 95.43 0.09 93 V E E 17.73 22.79 15.10 37.60 121.60 -162.53 -113.68 131.45 6.63 93.31 0.06 6.19 0.23 0.04 0.02 0.02 0.00 93.39 0.11 94 Q E E 72.58 7.70 23.39 31.52 124.74 -171.57 -122.10 137.69 6.58 93.37 0.05 5.86 0.35 0.05 0.01 0.02 0.00 93.61 0.10 95 T E E 47.37 16.29 15.79 31.70 120.79 -150.12 -108.66 134.05 8.05 91.91 0.05 7.32 0.33 0.04 0.01 0.02 0.00 92.18 0.09 96 Q E E 67.76 9.90 18.51 29.33 125.98 -172.14 -123.33 140.05 7.23 92.70 0.07 6.41 0.49 0.07 0.02 0.03 0.00 92.84 0.13 97 K E E 110.35 8.09 16.94 26.17 116.69 -132.94 -92.79 131.95 8.37 91.56 0.08 7.76 0.40 0.06 0.03 0.03 0.00 91.46 0.27 98 I E E 56.83 13.17 11.39 25.14 115.50 -148.47 -97.77 129.06 24.81 75.02 0.17 23.33 1.15 0.20 0.07 0.08 0.00 74.02 1.14 99 A C C 66.97 4.92 12.37 18.82 116.48 -130.83 -88.35 143.50 59.24 40.61 0.15 57.49 0.67 0.23 0.05 0.08 0.00 40.45 1.03 100 K C C 146.66 3.60 13.11 18.58 110.17 -105.77 -77.36 129.41 99.75 0.24 0.00 99.76 0.05 0.01 0.00 0.00 0.00 0.16 0.01