# 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 51.65 17.48 17.15 33.80 119.88 126.03 -95.36 136.08 99.78 0.22 0.00 99.79 0.05 0.00 0.00 0.00 0.00 0.14 0.00 1 Q E E 58.14 13.07 20.85 34.01 122.23 -163.85 -109.82 135.43 11.78 88.22 0.01 11.48 0.26 0.02 0.00 0.00 0.00 87.87 0.36 2 M E E 53.91 14.42 21.39 35.73 117.73 -142.63 -100.81 131.10 2.34 97.65 0.00 2.05 0.14 0.01 0.00 0.00 0.00 97.76 0.04 3 A E E 5.06 22.51 19.23 41.63 136.65 175.52 -137.16 157.66 0.73 99.27 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.35 0.01 4 K E E 66.89 10.48 27.01 38.40 120.59 -131.66 -112.00 134.74 0.29 99.71 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 5 V E E 6.57 24.72 16.03 41.76 110.87 -122.82 -78.35 124.16 0.74 99.26 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.30 0.01 6 C E E 51.47 8.62 23.89 33.13 102.14 174.67 -104.78 -15.15 3.85 96.14 0.00 3.13 0.37 0.02 0.00 0.00 0.00 96.42 0.05 7 G E E 20.05 7.42 23.63 31.90 145.20 -26.37 165.75 -175.03 10.28 89.71 0.01 3.58 6.19 0.21 0.00 0.01 0.00 89.95 0.06 8 T E E 58.40 9.69 23.04 33.12 125.05 -59.46 -109.55 145.52 10.13 89.86 0.02 8.42 1.19 0.08 0.00 0.01 0.00 90.18 0.11 9 V E E 22.24 22.17 15.43 37.32 121.99 -151.78 -112.60 131.84 4.87 95.11 0.02 4.63 0.20 0.02 0.01 0.01 0.00 94.51 0.61 10 V E E 64.97 8.33 23.71 32.60 122.73 -166.84 -117.48 134.23 11.88 88.00 0.12 10.65 1.08 0.14 0.05 0.06 0.00 86.89 1.13 11 G C E 17.40 18.77 13.31 31.42 119.58 -148.29 -100.14 138.83 52.79 46.62 0.59 41.58 9.67 1.32 0.14 0.44 0.00 45.85 0.99 12 T C C 81.98 6.03 18.54 25.48 102.40 -161.67 -102.27 -5.88 78.52 20.94 0.54 44.40 30.82 3.68 0.08 0.53 0.00 19.29 1.20 13 Q C C 101.98 5.24 17.42 23.85 119.78 76.10 -102.34 135.76 80.57 18.32 1.10 50.68 26.53 3.98 0.29 0.95 0.00 14.32 3.24 14 K C C 111.35 10.57 11.94 23.42 120.93 -155.82 -110.05 135.25 84.13 15.06 0.80 64.08 17.42 2.28 0.28 0.65 0.00 10.45 4.82 15 L C C 59.25 8.97 11.28 21.94 118.95 -156.05 -100.82 140.98 87.98 11.56 0.46 70.62 16.72 0.78 0.17 0.33 0.00 6.18 5.20 16 P C T 119.79 1.10 14.24 15.26 91.43 -110.18 -58.28 -31.44 60.12 0.35 39.54 1.65 4.51 49.58 0.73 43.20 0.00 0.19 0.12 17 S C T 75.69 4.10 14.35 19.46 92.52 51.21 -78.21 -13.62 61.68 0.39 37.93 1.73 4.23 51.50 0.77 41.42 0.00 0.24 0.11 18 M C G 34.83 18.37 9.89 27.24 104.82 48.27 -112.26 24.77 45.06 15.04 39.90 14.75 11.55 21.42 2.12 36.82 0.08 10.53 2.73 19 T C T 84.62 4.55 17.42 23.34 113.30 152.00 -74.91 134.61 79.83 18.00 2.18 21.60 9.41 48.99 0.54 1.48 0.01 15.32 2.66 20 G C T 38.15 6.47 18.69 26.02 100.51 19.17 85.80 -2.01 86.26 12.87 0.87 12.97 18.16 54.54 0.13 0.76 0.00 12.89 0.55 21 V C C 29.63 15.85 16.69 33.22 120.25 132.60 -90.16 142.07 62.04 37.88 0.08 53.91 6.40 0.36 0.02 0.08 0.00 38.48 0.76 22 K E E 64.75 12.99 23.52 36.46 118.87 -140.13 -104.20 132.63 9.07 90.92 0.01 8.35 0.46 0.03 0.00 0.00 0.00 90.89 0.26 23 L E E 6.44 23.73 20.57 44.22 129.83 -171.41 -124.29 145.94 0.58 99.42 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 24 L E E 10.32 20.71 25.16 45.64 118.00 -136.75 -104.00 130.66 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 25 L E E 9.26 21.45 25.92 46.88 117.88 -154.95 -104.93 127.61 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 26 L E E 4.83 24.63 22.95 47.36 122.29 -166.15 -113.86 132.47 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 27 Q E E 33.18 15.39 25.65 40.84 130.74 -173.21 -128.93 144.89 0.91 99.09 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.18 0.01 28 F E E 49.09 15.68 21.91 37.62 112.93 -114.88 -77.03 131.05 2.70 97.30 0.00 2.19 0.22 0.00 0.00 0.00 0.00 97.56 0.03 29 I E E 21.45 16.23 15.80 33.06 129.48 -170.97 -123.03 149.70 4.74 95.25 0.01 4.92 0.26 0.01 0.01 0.00 0.00 84.48 10.32 30 D C C 50.38 6.22 18.08 25.43 124.95 -123.97 -81.01 175.30 97.13 2.84 0.02 97.62 0.19 0.04 0.01 0.01 0.00 1.85 0.28 31 A C T 79.10 6.99 12.82 21.59 90.62 -91.47 -63.42 -20.59 99.54 0.10 0.36 0.16 1.95 97.50 0.01 0.31 0.00 0.06 0.02 32 N C T 126.98 0.80 15.91 14.84 92.15 53.89 -88.09 1.11 99.62 0.04 0.34 0.10 1.88 97.68 0.01 0.30 0.00 0.02 0.01 33 G C S 27.05 13.34 10.78 24.32 94.69 -109.08 81.28 9.43 99.45 0.26 0.29 15.95 82.79 0.82 0.02 0.21 0.00 0.10 0.11 34 E C C 118.84 1.92 19.10 20.83 118.82 139.76 -85.72 142.17 98.12 1.85 0.02 94.56 3.76 0.11 0.00 0.01 0.00 0.94 0.61 35 L E B 84.73 12.13 12.79 25.38 113.01 -106.57 -68.16 136.75 2.73 97.25 0.02 2.60 0.13 0.01 0.03 0.00 0.00 39.84 57.39 36 L C C 48.22 12.68 11.43 25.04 121.73 -145.66 -96.68 147.70 62.18 37.75 0.07 59.58 1.77 0.15 0.01 0.07 0.00 37.96 0.47 37 P C E 112.06 2.10 17.01 19.38 93.95 -119.50 -68.52 -20.99 61.57 38.01 0.41 28.69 25.82 5.95 0.02 0.57 0.00 38.41 0.54 38 K C E 121.90 4.80 18.32 23.98 118.38 56.05 -103.89 138.78 57.03 42.46 0.52 26.94 21.95 6.82 0.03 0.60 0.00 43.28 0.38 39 Y E E 53.43 18.94 15.18 33.33 125.67 -158.41 -115.05 141.63 36.06 63.89 0.05 31.56 3.20 0.15 0.00 0.05 0.00 64.75 0.28 40 E E E 41.23 15.35 23.95 39.08 124.41 -161.69 -117.24 139.29 2.30 97.69 0.00 2.07 0.11 0.00 0.00 0.00 0.00 97.71 0.11 41 V E E 12.33 22.81 24.22 46.38 121.76 -152.24 -112.52 131.84 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 42 A E E 3.51 23.91 26.70 49.59 129.82 -171.97 -127.85 146.71 0.20 99.80 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 43 A E E 10.19 22.07 26.79 47.72 124.15 -156.45 -117.23 138.46 1.30 98.70 0.00 1.23 0.06 0.00 0.00 0.00 0.00 98.58 0.13 44 D E E 11.08 22.72 21.88 43.67 117.26 -171.54 -127.68 117.48 45.81 54.15 0.04 42.35 2.16 0.12 0.01 0.03 0.00 54.85 0.48 45 P C S 64.53 10.70 23.39 34.80 93.80 -162.43 -75.01 -16.83 90.87 8.37 0.75 18.00 51.81 20.55 0.05 0.84 0.00 8.24 0.51 46 V C S 59.38 11.75 22.43 34.18 97.69 54.62 -90.79 -5.03 90.84 8.39 0.77 7.17 49.55 34.82 0.07 0.77 0.00 6.33 1.28 47 G C C 33.28 10.17 24.28 34.57 100.75 -115.01 75.28 30.18 97.66 2.15 0.19 77.01 10.82 9.71 0.03 0.25 0.00 1.52 0.66 48 A C C 7.83 25.05 14.87 39.51 118.90 169.13 -88.94 142.59 96.97 2.97 0.06 95.39 1.55 0.13 0.02 0.02 0.00 0.87 2.01 49 G C C 24.11 7.70 25.66 33.87 137.71 157.59 -132.85 -177.82 96.12 3.79 0.09 82.67 12.51 0.39 0.04 0.04 0.00 0.91 3.43 50 L C T 98.88 8.73 18.92 28.43 109.48 -59.33 -60.54 133.52 99.32 0.52 0.15 0.15 3.13 96.26 0.01 0.09 0.00 0.24 0.12 51 G C T 39.70 5.62 21.92 28.50 96.07 23.84 88.69 -5.41 99.83 0.12 0.05 0.42 2.80 96.64 0.00 0.05 0.00 0.08 0.01 52 E C C 27.41 18.13 17.97 36.52 118.82 134.83 -73.85 145.38 92.18 7.82 0.01 91.33 1.26 0.03 0.00 0.00 0.00 7.05 0.31 53 W E E 60.02 14.69 26.61 41.28 117.86 -134.07 -100.66 133.27 1.41 98.59 0.00 1.41 0.02 0.00 0.00 0.00 0.00 98.40 0.16 54 V E E 1.18 27.60 22.73 50.88 123.26 -169.14 -119.74 134.84 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 55 L E E 9.23 21.37 28.48 49.24 118.42 -152.08 -105.41 130.83 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 56 V E E 5.22 24.82 25.02 49.03 125.64 -169.40 -119.23 137.65 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 57 N E E 15.27 19.59 23.13 42.09 132.78 -171.52 -129.34 152.73 4.36 95.63 0.00 3.95 0.14 0.00 0.00 0.00 0.00 95.84 0.07 58 R E E 97.03 11.92 23.27 34.77 125.14 -139.70 -109.08 147.13 49.84 50.03 0.14 37.68 10.99 0.53 0.02 0.12 0.00 50.11 0.55 59 G H G 28.84 10.73 20.39 30.91 112.10 -22.82 63.37 -136.19 44.30 2.56 53.13 12.38 19.31 14.75 24.88 26.07 0.11 1.72 0.78 60 S H G 75.06 4.29 20.95 25.72 93.85 -4.82 -68.53 -29.20 16.29 0.26 83.45 2.89 2.57 9.83 32.11 52.33 0.02 0.16 0.09 61 A H G 37.54 11.43 18.93 31.09 92.02 62.94 -68.54 -24.91 11.90 0.20 87.91 2.25 1.60 7.15 33.77 55.03 0.01 0.12 0.06 62 A H G 8.46 23.21 14.10 36.75 94.61 62.31 -72.86 -19.19 18.99 0.72 80.29 5.23 3.52 9.69 33.58 47.25 0.04 0.44 0.25 63 R C G 102.10 11.05 20.14 31.05 104.46 71.09 -87.05 47.36 45.69 10.82 43.49 21.19 10.62 15.22 19.26 22.50 0.54 4.95 5.72 64 Q C C 87.19 9.36 16.74 26.76 112.37 131.78 -88.94 121.15 75.93 11.00 13.07 52.52 16.66 5.94 9.26 4.10 0.03 4.86 6.63 65 T C C 56.78 10.56 12.65 24.06 119.43 109.09 -99.96 145.87 73.07 7.11 19.82 36.21 22.49 15.16 12.22 6.93 0.09 3.45 3.46 66 E C T 138.29 2.88 14.50 18.47 97.01 -113.37 -69.51 -26.00 73.75 2.64 23.60 16.74 23.59 34.46 10.55 11.75 0.10 1.27 1.53 67 Y C T 137.21 5.28 13.67 20.01 98.37 47.96 -80.75 -14.72 75.50 2.39 22.12 18.45 21.35 36.63 8.20 12.68 0.07 1.10 1.51 68 H C C 64.54 13.49 10.15 23.43 105.19 53.31 -100.85 10.45 76.21 5.32 18.47 39.64 16.88 20.15 5.90 11.85 0.04 2.36 3.17 69 Q C T 119.39 4.58 14.99 20.99 101.60 111.69 -67.20 19.59 89.93 2.32 7.75 20.68 19.75 49.68 1.80 5.70 0.01 1.25 1.12 70 N C T 114.13 4.22 17.59 22.56 97.88 17.81 -40.32 24.38 94.77 1.43 3.79 21.34 26.25 47.09 0.51 3.44 0.00 0.83 0.54 71 R C C 71.92 14.64 15.29 30.00 120.83 133.28 -104.44 137.10 94.53 5.19 0.29 51.09 43.10 0.93 0.09 0.19 0.00 2.18 2.41 72 P C C 51.43 11.66 22.42 34.18 106.62 -120.76 -71.90 118.46 93.56 6.30 0.13 81.06 11.73 0.91 0.04 0.11 0.00 3.33 2.82 73 L C C 12.60 23.95 17.26 40.89 129.01 127.93 -116.76 146.48 71.96 27.95 0.09 69.35 2.95 0.28 0.03 0.08 0.00 22.61 4.70 74 D C S 46.97 12.19 25.39 38.34 97.13 -158.04 -84.94 -28.50 82.44 17.51 0.05 15.48 65.31 1.36 0.00 0.04 0.00 17.55 0.26 75 A E E 8.91 19.66 25.18 44.67 142.93 4.57 -155.00 153.69 11.06 88.90 0.04 7.43 3.58 0.32 0.00 0.04 0.00 88.44 0.19 76 M E E 19.22 21.90 25.57 46.25 129.82 -161.12 -134.63 138.56 0.81 99.18 0.00 0.73 0.05 0.00 0.00 0.00 0.00 99.15 0.05 77 V E E 11.74 22.67 24.44 46.34 110.86 -138.94 -90.38 119.90 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.78 0.01 78 V E E 27.10 17.23 25.40 42.16 101.65 175.89 -100.81 -25.75 1.02 98.98 0.00 0.79 0.11 0.01 0.00 0.00 0.00 99.08 0.01 79 A E E 12.40 17.27 25.98 42.96 145.67 -3.66 -164.10 158.00 2.37 97.62 0.00 1.72 0.47 0.03 0.00 0.00 0.00 97.75 0.03 80 I E E 28.02 19.27 22.85 41.58 119.00 -135.58 -112.79 127.44 3.06 96.94 0.01 2.80 0.17 0.01 0.00 0.00 0.00 96.74 0.28 81 I E E 25.68 18.22 19.37 37.85 110.17 -135.58 -85.93 120.20 19.49 80.50 0.01 19.07 0.28 0.01 0.00 0.01 0.00 80.35 0.28 82 D E E 58.27 9.80 20.55 31.06 100.04 176.49 -92.82 -30.65 40.12 59.86 0.02 17.92 20.67 0.37 0.00 0.02 0.00 60.89 0.13 83 T E E 56.26 6.37 22.26 29.43 136.85 10.30 -146.91 147.99 6.31 93.68 0.01 4.83 0.95 0.04 0.00 0.00 0.00 94.11 0.06 84 V E E 32.03 18.32 12.80 30.87 125.02 -166.68 -128.96 133.61 0.68 99.32 0.00 0.60 0.04 0.00 0.00 0.00 0.00 99.34 0.02 85 T E E 66.01 5.01 18.13 24.26 119.45 -161.94 -114.58 129.96 1.11 98.89 0.00 0.92 0.06 0.01 0.00 0.00 0.00 98.98 0.03 86 V E E 49.06 12.53 9.50 22.64 118.90 -176.75 -128.86 118.98 7.03 92.87 0.10 4.22 1.63 0.79 0.01 0.07 0.00 93.05 0.23 87 N C T 129.17 1.80 12.48 15.11 94.65 -18.41 52.68 41.27 99.22 0.53 0.25 0.89 5.69 92.69 0.01 0.24 0.00 0.43 0.05 88 N C T 144.16 0.67 12.02 12.14 94.28 -45.19 70.05 11.27 99.63 0.17 0.19 1.01 5.85 92.77 0.01 0.19 0.00 0.13 0.02 89 R E E 137.51 2.90 11.90 16.78 124.62 103.52 -114.48 143.57 7.45 92.51 0.05 4.53 2.25 0.43 0.01 0.03 0.00 92.45 0.31 90 R E E 132.65 6.92 12.18 20.88 113.44 -123.12 -83.52 128.12 2.68 97.31 0.01 2.25 0.16 0.02 0.00 0.00 0.00 97.48 0.09 91 L E E 63.48 9.65 14.95 25.83 108.78 -169.87 -105.85 6.26 5.39 94.58 0.03 4.62 0.45 0.06 0.01 0.01 0.00 94.65 0.19 92 Y E E 75.14 12.54 14.93 28.01 132.62 -0.12 -138.18 147.49 19.03 80.66 0.31 14.60 3.81 0.98 0.08 0.22 0.00 79.27 1.03 93 G C C 27.06 9.95 16.32 27.13 128.42 -166.61 -131.41 155.62 64.78 33.62 1.60 43.58 15.44 5.98 0.29 1.46 0.00 31.68 1.59 94 E C T 98.74 10.08 13.74 24.22 104.67 -117.04 -85.92 30.90 81.36 5.33 13.31 24.92 24.67 32.78 1.87 10.97 0.01 3.47 1.30 95 G C T 46.03 4.74 15.15 20.94 110.50 18.89 64.38 -125.55 82.02 2.18 15.80 18.53 25.26 38.47 2.09 13.51 0.01 1.18 0.95 96 S C C 77.37 4.49 14.08 19.71 101.42 10.33 -87.99 3.29 77.95 4.98 17.07 35.70 19.77 23.09 2.58 14.37 0.01 2.77 1.72 97 W C C 123.66 9.70 11.14 21.57 109.43 96.70 -89.68 97.17 79.29 8.86 11.85 45.71 19.09 14.84 2.91 9.03 0.02 5.19 3.19 98 S C C 66.93 6.24 13.23 20.84 110.93 109.59 -95.28 106.74 84.10 8.10 7.80 51.21 22.40 10.74 2.28 5.61 0.01 4.78 2.98 99 H C C 95.39 7.80 11.71 20.89 118.80 101.42 -103.46 132.92 92.48 4.34 3.18 63.02 27.67 2.30 1.65 1.39 0.00 2.35 1.63 100 P C C 72.78 6.40 11.73 19.80 109.73 -113.35 -67.87 147.20 75.64 3.69 20.67 59.85 6.17 9.27 4.15 17.06 0.00 2.56 0.94 101 Q C C 119.10 4.71 11.05 17.31 100.82 -126.85 -76.42 -15.95 63.58 4.65 31.77 31.39 14.28 19.27 5.05 25.83 0.01 2.79 1.37 102 F C C 128.06 5.34 8.93 15.80 105.05 62.78 -89.62 24.48 58.00 8.55 33.45 30.06 12.91 17.36 5.60 26.28 0.03 5.44 2.31 103 E C C 124.51 3.98 8.83 14.62 109.48 103.89 -89.03 110.19 75.46 6.20 18.34 63.44 3.43 10.04 5.18 11.75 0.00 4.10 2.08 104 K C C 148.08 2.88 11.17 15.72 109.38 -133.29 -84.08 115.16 99.86 0.12 0.03 99.77 0.09 0.06 0.01 0.00 0.00 0.06 0.01