# 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 50.56 14.89 19.82 34.49 120.62 -157.75 -109.38 139.73 99.05 0.94 0.00 98.87 0.26 0.04 0.00 0.00 0.00 0.81 0.02 1 Y E E 57.80 13.85 21.07 35.06 127.63 -159.60 -119.35 144.26 9.36 90.63 0.00 9.17 0.18 0.01 0.00 0.00 0.00 90.47 0.17 2 A E E 5.63 21.46 19.16 40.85 128.61 -166.53 -128.01 145.84 0.61 99.39 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.42 0.00 3 V E E 21.98 13.79 24.82 39.54 117.96 -145.96 -109.17 127.79 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 4 I E E 6.40 23.25 18.46 42.10 121.82 -167.55 -116.72 131.86 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 5 K E E 72.58 9.07 22.59 32.38 115.82 -151.58 -105.71 124.45 0.85 99.15 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.28 0.00 6 T E E 24.43 17.83 12.45 30.00 119.20 173.77 -131.07 119.84 7.22 92.71 0.07 4.51 1.59 0.58 0.01 0.07 0.00 93.07 0.17 7 G C T 53.87 3.88 15.60 20.71 95.81 -20.85 58.51 31.72 99.33 0.39 0.28 0.36 5.03 94.00 0.00 0.30 0.00 0.27 0.03 8 G C T 63.78 1.23 14.76 15.78 96.87 -43.32 81.24 0.91 99.62 0.16 0.22 0.42 5.35 93.85 0.00 0.25 0.00 0.11 0.02 9 K E E 119.16 3.64 14.75 20.24 124.42 100.58 -108.43 143.72 7.16 92.82 0.02 5.31 1.43 0.09 0.00 0.01 0.00 92.95 0.20 10 Q E E 97.04 9.84 13.55 24.53 119.57 -137.06 -99.87 134.82 3.21 96.79 0.00 2.74 0.11 0.01 0.00 0.00 0.00 97.13 0.02 11 H E E 46.87 14.17 15.95 30.94 129.37 -174.63 -129.97 146.31 0.59 99.41 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.00 12 R E E 121.81 6.89 23.16 30.71 115.86 -131.51 -92.87 131.81 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 13 V E E 7.32 24.24 12.84 37.29 124.13 -165.39 -114.51 138.21 4.11 95.88 0.00 4.14 0.07 0.00 0.00 0.00 0.00 95.54 0.24 14 V C C 66.11 5.50 23.97 29.46 127.17 -163.08 -117.04 152.65 69.81 30.18 0.02 69.71 0.60 0.03 0.00 0.01 0.00 29.01 0.63 15 V C T 70.28 12.04 14.45 26.85 109.88 -83.84 -61.11 136.48 98.88 0.93 0.19 0.42 2.42 96.36 0.01 0.13 0.00 0.57 0.09 16 D C T 108.67 3.18 18.84 22.66 93.53 15.97 74.57 5.79 99.69 0.20 0.11 0.61 2.68 96.45 0.00 0.08 0.00 0.16 0.01 17 E C C 76.15 9.58 15.96 26.75 120.85 125.65 -87.22 145.62 95.75 4.18 0.07 85.75 9.64 0.26 0.02 0.06 0.00 3.89 0.38 18 L E E 83.53 9.73 18.92 29.35 118.57 -132.01 -101.03 131.80 26.44 73.47 0.09 26.63 0.46 0.08 0.04 0.03 0.00 70.76 1.99 19 L E E 15.71 21.82 14.53 36.21 123.38 -166.14 -113.96 138.47 11.79 88.09 0.12 11.16 0.41 0.08 0.06 0.04 0.00 87.95 0.31 20 K E E 112.29 6.27 24.03 31.10 117.02 -145.86 -104.07 127.83 7.54 92.31 0.15 7.19 0.34 0.08 0.09 0.05 0.00 91.83 0.41 21 V E E 13.67 23.17 13.08 36.10 117.80 -162.74 -108.09 127.24 20.60 78.45 0.95 20.12 0.74 0.27 0.50 0.37 0.00 77.32 0.68 22 E E E 94.44 6.22 22.16 28.52 115.36 -149.26 -86.33 147.32 46.76 51.52 1.72 30.60 12.67 3.03 0.36 1.41 0.00 51.44 0.47 23 L C E 83.38 11.66 17.79 29.23 113.98 -84.98 -83.82 128.29 53.35 45.26 1.40 41.95 8.11 2.73 0.23 1.29 0.00 44.79 0.90 24 L C C 35.38 17.94 13.02 30.68 119.97 -164.75 -109.17 133.00 61.55 37.91 0.54 56.61 3.83 0.59 0.19 0.35 0.00 35.48 2.95 25 K C C 153.42 2.04 21.78 23.61 108.14 -133.66 -87.45 109.33 80.38 19.43 0.20 66.60 13.11 0.77 0.06 0.16 0.00 17.69 1.61 26 A C C 21.71 17.70 10.42 27.60 133.87 148.69 -135.08 159.68 92.11 7.81 0.07 81.04 11.36 0.24 0.02 0.05 0.00 4.92 2.36 27 E C C 125.90 2.01 20.54 21.54 119.02 -108.29 -80.69 152.50 97.18 2.66 0.17 94.95 1.79 0.45 0.05 0.10 0.00 1.54 1.12 28 Q C T 113.35 7.76 12.84 22.13 109.13 -84.06 -59.54 133.71 99.37 0.40 0.24 0.38 2.92 96.21 0.01 0.17 0.00 0.21 0.09 29 G C T 51.34 2.74 17.14 20.52 96.01 22.43 87.93 -5.89 99.72 0.16 0.12 0.55 2.63 96.58 0.00 0.11 0.00 0.12 0.01 30 E C C 78.43 8.12 15.04 24.83 120.93 124.88 -80.35 149.77 94.27 5.70 0.03 90.05 4.01 0.12 0.00 0.03 0.00 5.47 0.32 31 T E E 71.61 8.76 18.54 28.33 121.70 -132.83 -106.31 138.29 14.22 85.77 0.01 14.33 0.28 0.01 0.00 0.01 0.00 84.68 0.69 32 I E E 13.64 21.94 14.69 36.74 123.68 -164.78 -117.83 135.29 0.95 99.05 0.00 0.93 0.02 0.00 0.00 0.00 0.00 99.01 0.04 33 T E E 67.66 7.00 24.79 32.32 117.50 -152.75 -107.47 126.96 0.89 99.11 0.00 0.87 0.02 0.00 0.00 0.00 0.00 99.08 0.03 34 F E E 11.83 24.05 13.40 37.54 118.76 -165.46 -111.20 128.00 6.55 93.44 0.01 6.38 0.19 0.01 0.00 0.00 0.00 93.20 0.20 35 N E E 83.93 5.79 23.61 29.70 100.24 -161.90 -88.46 -22.13 26.03 73.88 0.09 15.32 10.14 0.64 0.00 0.10 0.00 73.64 0.16 36 D E E 52.98 10.45 23.54 34.18 127.39 23.23 -129.18 135.32 21.20 78.68 0.12 13.28 7.11 0.59 0.01 0.11 0.00 78.79 0.11 37 V E E 6.35 24.64 18.90 43.75 122.15 -162.34 -117.83 132.67 3.90 96.09 0.01 3.61 0.20 0.02 0.00 0.01 0.00 96.08 0.08 38 L E E 13.40 18.32 25.77 43.97 121.78 -161.07 -111.52 135.10 0.52 99.48 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.01 39 M E E 11.92 22.23 23.71 45.32 119.75 -156.35 -108.72 130.21 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 40 V E E 14.68 17.51 23.48 41.17 119.58 -165.49 -114.03 128.14 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 41 V E E 24.92 16.68 17.10 34.31 127.77 -172.67 -125.84 141.07 2.71 97.28 0.01 2.18 0.24 0.02 0.00 0.00 0.00 97.48 0.06 42 D E E 75.04 6.63 18.23 25.80 107.50 -173.13 -118.37 62.11 48.07 51.84 0.10 39.91 5.50 0.68 0.01 0.09 0.00 53.39 0.43 43 G C S 46.31 4.80 16.28 22.07 105.87 -71.20 68.20 -81.24 99.11 0.56 0.34 2.08 48.80 48.33 0.01 0.32 0.00 0.38 0.08 44 E C S 153.55 1.69 15.36 17.16 101.34 2.61 -101.36 -8.79 99.17 0.52 0.31 2.47 52.54 44.25 0.01 0.28 0.00 0.36 0.08 45 T E E 78.53 4.10 17.24 22.59 123.63 66.21 -115.70 139.62 37.74 62.18 0.07 25.12 11.61 0.78 0.01 0.08 0.00 61.85 0.57 46 V E E 43.45 18.74 11.88 29.90 121.49 -159.51 -116.09 129.41 5.80 94.19 0.01 5.59 0.14 0.01 0.00 0.00 0.00 94.17 0.08 47 K E E 94.72 7.20 22.35 30.22 124.13 -170.40 -120.91 136.31 0.56 99.43 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.40 0.04 48 I E E 61.52 16.42 15.78 31.74 120.34 -156.18 -110.76 133.39 5.51 94.46 0.03 4.85 0.41 0.05 0.01 0.01 0.00 94.43 0.23 49 G C S 24.80 11.21 18.38 29.59 131.47 31.37 99.48 -172.26 81.38 18.56 0.06 34.48 44.21 1.65 0.00 0.06 0.00 19.25 0.34 50 Q C S 107.03 5.69 19.90 26.33 116.84 -47.50 -87.74 142.41 93.43 6.39 0.18 45.37 47.47 1.22 0.03 0.14 0.00 5.03 0.73 51 P C C 60.27 13.82 16.03 29.52 106.70 -103.58 -65.77 129.35 88.01 6.06 5.93 45.43 27.44 14.97 0.72 5.98 0.00 4.10 1.36 52 V C C 58.02 13.02 19.88 32.35 101.03 106.92 -85.47 -16.02 75.34 17.46 7.20 34.75 26.08 15.74 1.26 5.98 0.07 9.04 7.07 53 V C C 14.91 22.81 13.44 35.66 108.59 56.26 -97.89 66.72 71.02 21.64 7.33 43.01 19.18 8.90 1.80 5.85 0.03 11.36 9.86 54 D C T 106.31 3.46 20.92 25.45 111.77 104.49 -71.58 125.63 88.55 10.04 1.41 8.72 12.98 67.28 0.24 1.12 0.00 8.03 1.64 55 G C T 44.47 5.15 20.93 26.45 97.29 14.60 85.28 0.02 91.64 7.72 0.64 6.18 17.47 67.68 0.04 0.66 0.00 7.63 0.35 56 A C C 11.71 21.93 13.28 34.85 117.78 143.29 -79.25 143.93 80.55 19.36 0.09 73.65 5.14 0.28 0.01 0.08 0.00 20.42 0.43 57 S E E 41.42 9.27 26.43 36.23 126.83 -159.91 -121.63 143.47 9.53 90.46 0.01 9.13 0.36 0.02 0.00 0.01 0.00 90.13 0.35 58 V E E 3.83 26.48 16.45 43.76 124.98 -164.13 -123.77 135.05 0.45 99.55 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 59 E E E 65.09 8.71 27.76 37.35 121.09 -162.21 -114.42 131.92 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 60 V E E 5.14 26.17 15.98 42.78 126.74 -170.72 -123.97 139.89 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 61 E E E 70.98 7.49 27.19 35.51 121.61 -163.22 -118.56 130.62 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 62 V E E 20.07 21.56 15.27 37.07 109.72 -124.96 -80.02 121.13 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 63 I E E 71.18 7.30 21.31 29.63 100.33 174.10 -95.16 -33.67 2.16 97.84 0.01 1.26 0.60 0.05 0.00 0.00 0.00 98.06 0.01 64 E E E 85.19 5.48 23.45 29.66 139.88 0.92 -153.80 150.52 4.90 95.09 0.01 2.35 2.18 0.17 0.00 0.01 0.00 95.23 0.05 65 H E E 74.49 18.81 14.60 31.93 127.10 -166.48 -129.32 135.33 14.79 85.14 0.06 12.17 1.99 0.20 0.01 0.04 0.00 85.46 0.12 66 G E E 19.71 10.35 19.79 30.81 135.96 161.49 -140.49 172.71 20.42 79.47 0.11 17.48 2.16 0.23 0.04 0.06 0.00 79.56 0.48 67 R E E 138.91 7.00 18.24 26.69 121.32 -105.46 -105.79 140.71 19.21 80.59 0.20 15.21 3.88 0.42 0.10 0.11 0.00 78.46 1.84 68 G E E 19.21 14.63 13.22 27.73 127.93 -143.75 -107.39 173.18 39.46 60.10 0.44 26.11 12.21 1.27 0.13 0.27 0.00 59.39 0.63 69 E E E 115.59 4.43 20.33 25.01 116.44 -82.02 -81.67 147.48 39.14 59.78 1.08 27.96 9.22 1.19 0.41 0.51 0.00 60.24 0.47 70 K E E 101.65 9.38 16.49 26.58 115.52 -105.84 -78.88 138.60 22.37 76.33 1.30 18.90 2.59 0.60 0.77 0.47 0.00 76.19 0.48 71 I E E 34.80 15.67 13.79 30.30 121.57 -157.67 -113.31 134.05 5.35 93.94 0.71 5.05 0.26 0.10 0.50 0.19 0.00 93.64 0.26 72 R E E 107.53 7.32 19.75 28.06 117.30 -146.47 -102.70 128.81 2.93 96.45 0.62 2.63 0.15 0.07 0.42 0.12 0.00 96.51 0.10 73 I E E 34.35 14.88 15.02 31.10 119.27 -161.98 -109.23 129.91 3.24 96.14 0.62 2.84 0.19 0.08 0.37 0.13 0.00 96.32 0.07 74 V E E 41.68 10.05 16.76 28.73 120.44 -162.62 -112.39 132.91 4.74 94.59 0.68 4.21 0.32 0.13 0.39 0.17 0.00 94.62 0.16 75 K E E 82.36 8.69 15.85 25.98 119.56 -158.92 -108.50 133.08 15.79 83.23 0.98 13.46 1.61 0.46 0.56 0.34 0.00 83.21 0.36 76 H E E 76.14 8.65 11.65 22.11 117.46 -150.85 -103.33 134.94 44.23 53.70 2.07 34.81 7.19 1.91 0.99 1.05 0.00 53.14 0.91 77 N C C 79.70 4.99 10.79 17.61 118.90 -158.59 -103.57 145.66 71.82 23.32 4.86 46.87 17.02 7.68 1.74 3.08 0.00 22.25 1.36 78 R C S 174.07 2.16 9.76 13.11 97.08 -115.13 -69.31 -22.62 82.73 6.05 11.22 25.74 31.58 26.30 3.80 6.79 0.03 4.69 1.08 79 R C C 178.41 1.11 9.30 10.84 104.17 52.39 -88.42 9.62 84.98 3.46 11.56 29.64 28.37 27.44 3.54 7.71 0.01 2.39 0.92 80 K C T 140.83 2.37 8.97 12.68 109.71 23.69 -92.14 93.91 84.86 4.39 10.75 25.90 26.61 33.02 2.53 7.85 0.01 3.14 0.94 81 H C C 137.88 3.03 9.65 14.30 105.42 -94.77 -81.68 84.42 80.57 12.64 6.79 31.88 20.94 28.42 1.37 5.23 0.01 11.05 1.10 82 Y C C 127.75 5.02 9.88 16.77 119.25 150.45 -107.69 138.01 62.77 33.63 3.61 46.94 10.58 5.00 0.92 2.84 0.00 31.83 1.87 83 H C E 112.69 6.12 10.80 18.65 119.52 -157.51 -108.94 135.88 49.45 49.10 1.45 41.32 5.05 2.13 0.43 0.94 0.00 49.38 0.76 84 K E E 111.01 6.29 12.80 20.84 121.83 -162.21 -113.76 137.27 31.25 67.86 0.89 25.30 4.10 1.32 0.28 0.55 0.00 67.93 0.52 85 E E E 98.14 9.66 12.61 23.30 122.45 -157.49 -112.30 136.02 14.76 84.57 0.66 11.90 1.86 0.88 0.22 0.39 0.00 84.25 0.49 86 Q E E 97.64 6.61 15.45 23.65 125.21 -171.26 -123.48 142.92 11.75 87.86 0.39 9.13 1.63 0.74 0.11 0.24 0.00 87.80 0.34 87 G E E 28.58 10.98 13.48 25.13 129.02 -160.14 -118.23 161.23 15.02 84.70 0.28 11.74 2.41 0.48 0.09 0.18 0.00 84.79 0.31 88 H E E 91.71 8.44 17.04 26.46 125.22 -142.36 -122.93 144.04 14.84 84.98 0.18 13.21 1.18 0.30 0.06 0.12 0.00 84.39 0.75 89 R E E 103.40 11.89 15.09 27.45 119.61 -142.32 -103.65 134.57 21.16 78.70 0.15 18.80 1.56 0.33 0.03 0.10 0.00 78.62 0.56 90 Q E E 65.20 11.70 17.28 29.69 121.27 -148.58 -105.58 138.33 23.34 76.55 0.10 20.39 1.70 0.25 0.02 0.07 0.00 77.26 0.30 91 W E E 94.69 12.10 18.24 30.80 117.55 -133.59 -93.97 136.03 19.00 80.94 0.06 17.11 1.04 0.12 0.01 0.04 0.00 81.47 0.21 92 Y E E 46.76 15.42 18.78 34.52 133.89 -167.21 -136.13 151.11 5.35 94.63 0.02 4.86 0.27 0.02 0.00 0.01 0.00 94.70 0.13 93 T E E 18.16 17.56 19.89 37.77 122.04 -138.99 -109.67 137.68 2.77 97.22 0.00 2.53 0.10 0.01 0.00 0.00 0.00 97.33 0.04 94 L E E 34.42 14.29 23.79 38.29 120.83 -152.46 -109.21 133.62 1.81 98.18 0.00 1.55 0.13 0.00 0.00 0.00 0.00 98.30 0.01 95 L E E 11.40 23.04 19.27 42.29 120.44 -160.03 -110.62 130.36 0.84 99.15 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.20 0.01 96 K E E 73.37 9.57 25.97 35.89 120.17 -161.70 -111.51 130.43 0.47 99.53 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.55 0.01 97 I E E 14.38 23.04 14.38 37.75 111.27 -137.05 -88.29 121.62 0.62 99.37 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.36 0.02 98 K E E 101.25 5.23 22.19 28.02 101.30 175.95 -98.68 -29.55 4.80 95.18 0.01 3.24 0.93 0.11 0.00 0.01 0.00 95.68 0.02 99 A E E 44.98 5.99 23.36 30.00 139.92 -0.59 -157.83 156.21 5.34 94.64 0.02 3.46 1.25 0.17 0.00 0.02 0.00 95.07 0.03 100 I E E 35.57 21.74 11.74 32.35 123.10 -155.13 -122.54 131.16 6.16 93.83 0.01 5.66 0.33 0.03 0.00 0.01 0.00 93.55 0.42 101 N E E 88.54 4.76 19.60 25.12 123.65 -171.07 -119.21 141.64 25.22 74.73 0.05 24.09 0.64 0.13 0.02 0.03 0.00 74.02 1.07 102 A C C 65.01 9.14 14.76 24.40 113.72 -122.37 -89.20 133.51 99.44 0.55 0.00 99.42 0.10 0.01 0.00 0.00 0.00 0.45 0.01