# 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 Q C C 101.92 6.33 20.48 27.47 116.44 -161.48 -100.63 127.48 99.28 0.71 0.00 99.33 0.06 0.01 0.00 0.00 0.00 0.58 0.01 1 V C E 37.58 20.22 12.06 31.19 122.16 -160.28 -111.56 133.94 50.04 49.87 0.09 49.14 0.47 0.11 0.02 0.04 0.00 49.68 0.55 2 Q E E 87.55 6.16 22.47 29.36 125.08 -167.56 -120.93 139.19 14.66 85.20 0.14 13.34 1.05 0.20 0.06 0.08 0.00 84.76 0.52 3 L E E 50.44 19.61 14.90 33.56 119.63 -145.33 -101.93 132.03 10.94 88.92 0.14 10.35 0.55 0.12 0.05 0.06 0.00 88.42 0.45 4 V E E 49.68 11.03 20.41 32.21 123.80 -169.08 -119.19 137.61 15.42 84.28 0.29 13.89 1.25 0.28 0.10 0.15 0.00 83.67 0.65 5 E E E 101.17 11.30 18.52 30.00 115.64 -128.30 -87.82 135.39 31.93 67.31 0.76 26.00 4.88 1.32 0.18 0.56 0.00 66.32 0.75 6 S C C 43.08 14.50 16.27 30.31 108.06 -166.41 -94.45 30.96 65.80 32.70 1.50 47.75 12.09 4.85 0.18 1.47 0.00 32.74 0.92 7 G C C 41.32 7.46 19.66 27.44 110.16 -109.03 87.29 1.10 75.38 23.63 0.99 33.97 30.24 11.41 0.08 1.08 0.00 22.18 1.04 8 G C C 34.02 11.18 17.76 28.80 124.18 -21.56 117.09 173.54 72.32 27.11 0.57 37.19 27.22 7.84 0.05 0.68 0.00 26.16 0.86 9 G E E 26.49 10.59 19.49 30.42 133.35 120.09 138.75 -171.94 40.01 59.90 0.09 29.49 10.30 0.70 0.01 0.10 0.00 58.72 0.68 10 V E E 73.81 10.74 21.73 32.49 122.34 -76.11 -112.69 134.25 6.65 93.33 0.02 5.89 0.66 0.04 0.01 0.01 0.00 92.54 0.85 11 V E E 16.90 20.94 14.80 35.55 124.07 -167.54 -118.67 136.11 6.98 93.01 0.01 6.77 0.28 0.01 0.01 0.00 0.00 89.20 3.73 12 Q C C 91.54 5.20 23.53 28.79 119.36 -132.83 -86.53 146.21 92.74 7.25 0.01 92.66 0.52 0.03 0.00 0.01 0.00 6.31 0.46 13 P C T 62.79 13.44 13.96 27.59 109.80 -87.92 -59.56 136.59 99.43 0.39 0.19 0.21 2.16 97.23 0.01 0.12 0.00 0.24 0.04 14 G C T 50.56 3.35 19.23 23.30 95.62 21.82 87.03 -5.79 99.60 0.27 0.13 0.32 2.43 96.93 0.00 0.10 0.00 0.19 0.01 15 R C C 101.38 7.90 17.89 26.94 128.28 109.78 -102.55 157.85 89.65 10.26 0.08 74.41 14.92 0.30 0.01 0.09 0.00 9.46 0.83 16 S E E 53.33 11.08 19.20 30.57 125.95 -129.93 -108.46 148.11 47.43 52.55 0.01 47.42 0.52 0.03 0.00 0.01 0.00 51.26 0.75 17 L E E 12.94 22.70 16.15 38.87 124.27 -155.29 -120.94 137.48 2.18 97.82 0.00 2.13 0.05 0.00 0.00 0.00 0.00 97.73 0.08 18 R E E 112.64 8.53 25.22 34.37 118.68 -151.40 -110.46 128.22 0.58 99.42 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.02 19 L E E 5.44 25.64 17.24 43.37 124.15 -170.48 -119.09 135.67 1.74 98.25 0.00 1.61 0.07 0.00 0.00 0.00 0.00 98.28 0.04 20 S E E 37.35 10.91 26.90 38.17 129.53 -168.24 -123.26 146.62 9.08 90.88 0.04 7.89 0.68 0.06 0.01 0.02 0.00 91.24 0.10 21 C E E 5.68 24.95 18.01 43.05 133.64 175.06 -139.29 150.43 13.83 86.04 0.13 12.48 0.95 0.11 0.04 0.06 0.00 86.03 0.32 22 A E E 36.86 10.60 27.08 38.23 123.70 -153.17 -113.52 140.67 10.06 89.72 0.22 9.11 0.88 0.17 0.11 0.11 0.00 87.85 1.76 23 A E E 7.12 24.59 15.35 39.90 123.72 -168.38 -120.18 135.46 30.74 68.79 0.46 28.54 1.84 0.40 0.17 0.30 0.00 66.42 2.33 24 S C E 62.15 6.41 21.72 28.93 125.74 -168.46 -113.66 146.30 56.71 42.51 0.78 24.39 18.05 16.91 0.08 0.80 0.00 38.67 1.10 25 G C S 53.15 2.73 21.22 24.12 96.60 16.92 82.23 1.30 78.94 20.50 0.57 19.50 38.53 20.88 0.04 0.65 0.00 19.49 0.90 26 F C C 36.44 21.40 10.80 30.96 118.36 132.47 -90.61 139.58 79.53 19.67 0.80 66.71 9.97 2.24 0.18 0.76 0.00 16.42 3.72 27 T C C 74.75 5.29 21.87 27.46 116.57 -159.98 -111.05 128.48 84.77 14.16 1.08 69.00 11.22 3.87 0.27 0.97 0.00 9.98 4.69 28 F C C 71.64 16.79 13.69 29.59 103.44 -134.45 -81.60 6.01 82.40 10.20 7.40 32.94 26.73 23.77 1.20 6.18 0.02 5.95 3.20 29 S C T 75.51 4.46 19.09 24.29 97.25 77.36 -78.55 -16.23 87.20 4.86 7.95 15.57 32.21 40.00 0.84 6.94 0.00 3.16 1.28 30 S C T 57.86 7.82 19.50 27.62 104.78 38.28 -104.20 -8.26 82.94 10.00 7.06 21.37 29.29 33.23 0.74 6.22 0.01 7.75 1.40 31 Y C C 39.53 19.12 17.27 35.79 128.26 63.89 -118.63 147.33 64.83 33.64 1.52 44.03 17.53 3.73 0.30 1.34 0.00 31.26 1.80 32 G E E 7.75 16.08 25.55 41.70 131.37 -161.64 -123.46 160.87 26.71 73.16 0.14 23.25 2.50 0.40 0.02 0.11 0.00 73.09 0.61 33 M E E 3.80 26.22 21.71 48.31 127.42 -144.86 -124.00 140.58 3.64 96.35 0.01 3.42 0.15 0.01 0.00 0.00 0.00 96.31 0.11 34 H E E 30.01 17.56 28.23 45.19 130.83 -172.85 -130.01 145.48 0.70 99.30 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.33 0.01 35 W E E 7.44 24.85 22.75 47.56 122.82 -151.74 -109.94 136.39 0.42 99.57 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.00 36 V E E 13.75 18.26 24.58 42.69 129.88 -171.96 -128.62 143.95 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.01 37 R E E 53.11 16.62 21.97 37.96 122.79 -158.23 -113.73 135.07 0.60 99.40 0.00 0.51 0.03 0.00 0.00 0.00 0.00 99.45 0.01 38 Q E E 60.55 12.77 18.62 31.79 118.40 -152.45 -107.14 129.52 5.58 94.41 0.01 4.95 0.34 0.02 0.00 0.01 0.00 94.41 0.27 39 A C C 28.27 11.05 13.91 26.61 117.39 -133.85 -80.31 150.10 86.04 13.82 0.14 83.46 1.61 0.31 0.02 0.09 0.00 13.94 0.57 40 P C T 96.77 4.77 12.77 19.47 109.20 -84.81 -58.99 135.19 95.87 0.30 3.83 0.63 4.21 90.49 0.07 4.34 0.00 0.18 0.07 41 G C T 69.23 0.31 13.26 11.08 95.78 15.03 81.69 -4.02 95.87 0.15 3.98 0.67 3.93 90.72 0.09 4.45 0.00 0.09 0.05 42 K C S 128.95 3.57 12.21 17.32 108.96 77.46 -106.30 -1.13 88.46 5.17 6.37 17.93 45.04 25.03 0.34 7.14 0.01 3.41 1.09 43 G C C 31.92 4.65 16.95 22.73 127.93 -114.41 93.03 -169.71 80.34 19.42 0.24 62.28 16.11 1.71 0.04 0.26 0.00 18.30 1.30 44 L E E 49.45 17.71 13.46 30.67 116.33 -32.03 -81.68 137.02 32.21 67.76 0.04 29.52 1.33 0.09 0.00 0.03 0.00 68.76 0.27 45 E E E 75.51 9.62 22.33 32.38 127.16 -169.16 -125.30 140.61 2.98 97.01 0.01 2.49 0.23 0.02 0.00 0.01 0.00 97.20 0.05 46 W E E 74.28 17.60 19.44 36.52 110.51 -113.71 -72.11 127.98 0.44 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 47 V E E 13.33 19.51 22.41 42.12 102.17 175.65 -100.15 -32.54 1.82 98.17 0.00 1.28 0.35 0.01 0.00 0.00 0.00 98.35 0.01 48 A E E 3.04 22.30 23.84 46.36 142.77 -3.11 -157.13 154.13 0.35 99.65 0.00 0.27 0.02 0.00 0.00 0.00 0.00 99.70 0.00 49 V E E 14.70 19.70 25.96 44.98 124.03 -154.05 -122.07 133.15 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.01 50 I E E 6.30 23.29 22.71 45.92 119.48 -163.44 -113.49 127.73 1.43 98.56 0.01 1.21 0.07 0.01 0.00 0.00 0.00 98.67 0.04 51 W E E 51.33 14.06 24.08 38.43 124.49 -171.35 -118.97 138.61 7.18 92.72 0.10 5.61 1.05 0.22 0.02 0.07 0.00 92.85 0.17 52 Y E E 46.79 17.29 16.86 33.91 112.90 -157.44 -103.04 114.11 31.45 67.76 0.79 19.73 9.63 3.67 0.14 0.66 0.00 65.40 0.78 53 D C T 72.37 7.20 18.20 26.14 103.60 161.75 -101.13 23.71 68.15 29.58 2.28 18.73 23.18 27.30 0.21 2.18 0.00 27.15 1.24 54 G C T 44.77 6.53 14.71 22.16 100.00 -77.55 79.28 -4.13 91.94 4.62 3.44 11.69 32.28 47.90 0.24 3.49 0.00 3.70 0.69 55 S C T 78.83 2.75 15.63 18.79 101.77 55.49 -95.70 2.88 93.80 2.63 3.57 11.71 35.91 46.10 0.25 3.63 0.00 1.83 0.58 56 N C S 89.92 8.44 14.03 23.31 104.48 -55.49 -74.41 63.20 79.17 18.27 2.56 24.32 28.41 26.94 0.25 2.40 0.00 16.53 1.15 57 K E E 101.31 9.51 16.02 26.35 117.74 138.99 -102.61 133.92 47.74 51.58 0.68 38.81 6.33 1.73 0.13 0.56 0.00 51.44 0.99 58 F E E 70.52 13.30 18.63 32.01 122.57 -163.60 -118.71 135.72 16.00 83.58 0.42 13.64 1.99 0.56 0.17 0.27 0.00 81.48 1.89 59 Y E E 67.82 16.68 17.54 33.60 128.68 -163.48 -121.70 148.27 17.10 82.47 0.43 15.13 1.47 0.39 0.25 0.24 0.00 77.23 5.29 60 A C C 15.65 17.74 14.38 32.47 113.42 -107.90 -71.57 141.71 84.97 13.96 1.08 81.23 2.74 0.64 0.32 0.58 0.00 13.53 0.97 61 D H G 111.70 2.68 18.40 22.15 92.48 -124.06 -61.69 -31.59 35.57 1.22 63.20 4.29 5.34 25.71 3.55 59.95 0.00 0.91 0.25 62 S H G 62.21 6.81 18.09 25.98 90.92 62.63 -69.99 -18.77 36.17 0.50 63.32 1.65 3.36 30.54 3.13 60.85 0.00 0.34 0.14 63 V H G 9.19 22.50 11.29 33.92 97.90 44.80 -101.41 -1.59 38.30 1.06 60.63 3.44 4.96 29.39 3.81 57.35 0.01 0.69 0.34 64 K C T 120.85 7.78 15.08 25.13 110.60 122.82 -61.51 130.84 91.06 3.09 5.85 3.29 4.25 84.12 1.74 3.20 0.01 1.57 1.82 65 G C T 61.39 1.37 19.00 19.55 93.98 15.81 81.07 -2.54 94.09 0.55 5.36 1.02 4.09 89.74 0.81 3.78 0.00 0.39 0.17 66 R C T 79.48 13.31 17.12 30.51 99.99 77.98 -98.12 -21.72 93.56 1.89 4.55 6.18 20.22 67.26 0.77 3.47 0.00 1.85 0.24 67 F E E 7.44 24.72 12.56 37.72 133.69 36.90 -135.05 149.64 15.12 84.65 0.23 11.11 4.00 0.51 0.09 0.17 0.00 82.55 1.57 68 T E E 64.36 5.98 26.60 33.14 124.97 -162.07 -121.19 141.03 2.76 97.23 0.02 2.55 0.13 0.01 0.00 0.01 0.00 97.15 0.15 69 I E E 21.92 24.05 14.33 38.07 122.39 -158.86 -117.77 130.71 2.57 97.41 0.01 2.45 0.07 0.00 0.00 0.01 0.00 97.40 0.06 70 S E E 48.46 6.29 25.08 31.73 134.39 174.82 -132.70 154.30 3.98 96.01 0.01 3.55 0.19 0.02 0.00 0.00 0.00 96.17 0.07 71 R E E 91.52 17.25 13.61 29.96 122.52 -144.70 -111.53 135.45 7.19 92.75 0.06 6.24 0.80 0.11 0.02 0.04 0.00 92.28 0.51 72 D E E 55.14 7.72 15.09 24.66 109.43 -150.59 -104.38 109.33 34.17 65.68 0.15 32.33 1.36 0.25 0.04 0.11 0.00 64.32 1.59 73 N C T 108.83 5.28 12.71 20.17 93.67 -162.86 -69.06 -23.74 90.97 0.65 8.37 2.24 9.06 77.90 0.20 9.95 0.00 0.47 0.17 74 S C T 93.52 0.78 15.03 14.44 93.77 57.34 -73.43 -31.38 90.01 0.79 9.19 1.22 8.07 79.13 0.21 10.62 0.00 0.50 0.25 75 K C T 105.13 6.01 15.04 21.88 98.69 31.65 -97.54 -3.01 91.26 0.26 8.49 2.38 13.58 73.23 0.20 10.36 0.00 0.16 0.10 76 N C T 61.66 12.37 16.02 29.21 96.03 -129.71 55.85 41.12 99.28 0.37 0.34 10.31 12.05 76.91 0.03 0.32 0.00 0.31 0.05 77 T E E 26.38 12.44 21.07 34.75 133.03 122.81 -130.08 152.69 18.33 81.65 0.02 15.60 2.38 0.12 0.00 0.03 0.00 80.37 1.50 78 L E E 5.27 24.31 18.72 43.67 120.85 -147.06 -111.71 132.99 2.16 97.84 0.00 2.10 0.05 0.00 0.00 0.00 0.00 97.72 0.13 79 Y E E 46.28 13.09 26.66 40.31 122.40 -161.61 -114.90 134.73 1.85 98.15 0.00 1.64 0.06 0.00 0.00 0.00 0.00 98.29 0.01 80 L E E 3.08 26.00 19.63 46.43 120.38 -164.40 -113.01 129.25 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 81 Q E E 56.52 11.07 27.22 38.75 118.55 -162.35 -112.28 126.82 0.16 99.84 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 82 M E E 8.30 24.37 16.72 41.46 119.46 -168.05 -114.72 128.55 12.58 87.42 0.00 12.75 0.09 0.00 0.00 0.00 0.00 86.54 0.61 83 T C S 59.95 7.66 22.91 30.85 119.87 -157.19 -99.46 145.46 93.05 6.91 0.04 43.11 44.57 4.06 0.00 0.08 0.00 7.97 0.21 84 S C S 60.47 5.49 24.37 30.04 99.63 8.81 58.00 65.67 98.35 1.62 0.03 12.76 81.40 4.17 0.00 0.04 0.00 1.44 0.18 85 L C C 13.88 24.65 11.67 36.25 114.54 -147.44 -75.02 133.32 98.44 1.55 0.01 97.81 0.94 0.02 0.00 0.01 0.00 0.65 0.57 86 R C C 98.12 5.36 25.16 30.67 133.64 -174.24 -127.86 162.08 97.28 2.67 0.04 97.11 0.52 0.01 0.01 0.01 0.00 0.51 1.81 87 A H G 45.14 15.55 15.96 31.16 91.14 -101.23 -59.44 -33.25 4.46 0.04 95.50 0.36 0.36 2.72 0.48 96.05 0.00 0.03 0.00 88 E H G 120.81 4.29 22.41 27.47 90.06 62.35 -71.51 -16.58 3.61 0.05 96.34 0.23 0.28 2.32 0.48 96.64 0.00 0.04 0.00 89 D H G 12.53 21.56 17.12 38.83 94.66 66.92 -83.29 1.14 4.90 0.07 95.03 1.10 0.60 1.75 0.69 95.80 0.00 0.05 0.00 90 T C C 35.00 17.11 22.03 38.68 114.83 110.18 -80.63 133.56 91.70 6.09 2.21 86.55 5.03 0.63 0.58 1.54 0.00 4.89 0.78 91 A E E 10.55 19.59 23.51 42.30 142.42 152.51 -152.21 168.03 14.26 84.93 0.81 12.93 1.24 0.28 0.57 0.39 0.00 82.08 2.50 92 V E E 28.42 16.77 26.14 42.56 118.75 -109.10 -102.82 132.26 5.27 94.33 0.40 4.97 0.34 0.10 0.24 0.16 0.00 93.92 0.27 93 Y E E 7.21 25.07 22.20 47.11 123.01 -162.96 -114.01 136.29 3.63 95.77 0.60 3.21 0.33 0.14 0.32 0.22 0.00 95.60 0.17 94 Y E E 26.57 19.27 27.72 46.02 129.47 -171.88 -125.44 145.78 5.86 93.25 0.89 4.88 0.62 0.26 0.40 0.31 0.00 93.30 0.22 95 C E E 4.60 24.29 23.68 47.54 125.61 -160.06 -120.28 139.21 14.28 83.90 1.82 11.68 1.76 0.74 0.87 0.64 0.00 83.78 0.53 96 A E E 10.22 19.02 23.49 42.16 126.18 -164.99 -117.96 143.82 17.93 79.31 2.76 15.04 2.24 1.07 1.41 1.10 0.00 78.00 1.15 97 R E E 69.26 14.67 21.09 35.38 118.47 -148.27 -105.68 136.46 30.44 65.45 4.11 24.09 5.47 2.63 1.88 2.16 0.02 61.60 2.15 98 A C E 40.87 11.99 16.67 29.08 113.73 -133.27 -94.34 141.60 54.23 36.96 8.80 32.63 13.44 10.21 1.68 6.35 0.02 34.22 1.43 99 D C C 94.43 5.68 16.13 22.80 105.75 -143.08 -88.72 41.95 73.15 17.48 9.37 27.65 22.20 24.93 1.34 7.41 0.02 14.82 1.63 100 Y C T 134.17 6.64 13.39 21.14 108.55 59.97 -96.65 74.91 82.14 8.44 9.42 25.37 24.71 33.37 1.51 7.40 0.02 5.92 1.69 101 G C S 44.15 5.18 14.62 21.02 112.45 -15.23 101.64 -126.43 87.83 6.70 5.47 26.39 32.86 29.41 0.84 4.47 0.00 4.74 1.28 102 D C C 91.49 6.15 15.21 22.55 112.94 -55.10 -93.22 122.78 78.96 15.26 5.79 35.41 25.53 19.19 1.02 4.66 0.01 12.33 1.86 103 F C C 86.43 12.90 14.02 27.06 115.46 -163.63 -103.81 126.03 62.24 30.92 6.84 37.25 15.74 11.08 1.68 5.12 0.03 25.97 3.12 104 F C C 84.23 11.61 18.19 30.11 118.10 -165.87 -107.26 136.26 53.62 39.83 6.55 36.01 11.51 7.77 2.04 4.46 0.03 35.34 2.84 105 F C E 56.19 17.27 16.46 33.29 120.97 -162.14 -110.27 135.06 47.45 46.45 6.10 33.58 9.63 5.85 2.35 3.55 0.02 42.37 2.64 106 D C E 56.88 12.19 20.47 32.74 119.72 -160.91 -109.42 132.15 48.74 46.06 5.20 35.99 8.53 5.23 1.87 2.99 0.01 43.49 1.88 107 Y E E 81.33 15.59 18.23 33.18 116.76 -156.67 -105.19 125.78 43.92 49.81 6.27 29.03 9.50 7.68 2.63 3.64 0.05 43.65 3.81 108 W C E 88.13 14.39 18.36 32.26 108.74 -163.57 -101.30 76.33 55.10 37.91 6.99 27.10 13.04 18.01 2.47 4.37 0.12 29.95 4.95 109 G C T 30.18 11.03 19.07 29.91 117.20 -52.26 80.64 -156.86 77.03 17.17 5.80 22.75 23.23 32.33 1.08 4.36 0.02 14.08 2.16 110 Q C T 101.09 8.85 20.20 29.01 101.70 -21.60 -86.60 13.44 80.60 13.16 6.24 18.20 26.88 36.41 1.04 4.76 0.01 10.80 1.88 111 G C C 19.18 15.50 18.80 33.47 125.52 -102.72 104.35 -177.11 73.26 24.96 1.79 29.38 26.59 17.99 0.21 1.65 0.00 22.78 1.40 112 T E E 26.34 19.03 19.46 37.70 120.87 -97.49 -106.08 134.85 39.64 60.03 0.33 32.64 5.56 1.05 0.07 0.27 0.00 59.40 1.01 113 L E E 62.34 12.75 23.72 36.14 117.55 -146.89 -102.14 128.20 9.09 90.80 0.12 7.67 1.18 0.23 0.03 0.07 0.00 90.46 0.37 114 V E E 17.76 22.16 17.43 39.42 121.23 -167.24 -113.50 130.56 3.76 96.19 0.05 3.44 0.26 0.06 0.02 0.03 0.00 96.06 0.13 115 T E E 55.85 8.77 24.19 33.37 120.23 -158.92 -109.19 133.74 4.05 95.90 0.05 3.76 0.25 0.07 0.02 0.03 0.00 95.62 0.25 116 V E E 31.03 19.57 13.57 32.70 119.26 -158.92 -108.14 130.56 14.89 84.96 0.15 13.29 1.17 0.25 0.06 0.09 0.00 84.22 0.92 117 S C C 55.74 6.37 17.00 24.36 125.76 -171.54 -113.66 157.10 52.82 46.97 0.21 49.35 1.64 0.47 0.05 0.15 0.00 47.14 1.20 118 S C C 76.70 5.41 15.49 22.15 109.66 -97.97 -78.89 132.13 99.56 0.43 0.01 99.46 0.16 0.04 0.00 0.00 0.00 0.31 0.01