# 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 S C C 71.65 5.73 15.96 22.79 114.45 -161.15 -97.23 136.10 99.75 0.23 0.02 99.69 0.08 0.06 0.00 0.00 0.00 0.15 0.02 1 A C C 64.70 8.09 14.27 23.25 115.21 -143.78 -95.94 131.69 79.91 18.95 1.13 74.33 2.76 2.15 0.31 0.60 0.00 17.76 2.09 2 L C C 61.38 14.56 11.44 25.84 117.44 -145.60 -98.45 132.99 61.35 37.51 1.13 47.18 11.10 2.75 0.36 0.93 0.00 32.79 4.88 3 T C C 76.05 6.87 18.11 26.14 120.13 -159.03 -108.94 132.83 57.74 41.63 0.63 47.16 7.72 1.25 0.24 0.51 0.00 35.37 7.75 4 Q C C 79.51 14.04 14.30 28.22 121.46 -156.36 -108.83 137.10 81.09 18.81 0.11 66.75 13.53 0.47 0.03 0.09 0.00 17.77 1.37 5 P C C 46.22 12.93 14.91 28.51 115.79 -105.60 -67.41 151.93 90.14 9.58 0.28 82.26 6.43 0.98 0.04 0.25 0.00 9.40 0.65 6 R C S 151.76 5.36 18.11 24.68 96.05 -130.98 -75.86 -26.19 90.55 9.30 0.14 26.35 62.28 1.46 0.01 0.14 0.00 9.40 0.35 7 S E E 54.37 7.89 19.50 28.33 136.44 4.77 -145.47 150.33 30.82 68.97 0.21 22.82 7.31 0.84 0.02 0.23 0.00 68.30 0.48 8 V E E 28.33 19.84 14.91 34.25 130.54 -171.18 -135.76 142.41 4.07 95.91 0.02 3.76 0.29 0.02 0.00 0.01 0.00 95.56 0.35 9 S E E 60.41 7.56 23.35 31.98 129.22 -165.17 -125.93 147.64 2.99 97.00 0.01 2.72 0.20 0.01 0.00 0.00 0.00 96.83 0.23 10 G E E 12.92 15.38 17.31 33.17 143.04 143.88 -168.24 175.39 22.45 77.53 0.02 18.68 3.23 0.10 0.00 0.01 0.00 77.15 0.82 11 S C C 55.12 5.32 23.48 28.91 125.95 -89.81 -109.25 153.31 93.29 6.69 0.02 90.12 3.39 0.12 0.01 0.02 0.00 5.72 0.63 12 P C T 62.05 13.87 14.34 28.26 109.93 -85.64 -60.25 136.95 98.93 0.74 0.34 0.60 3.71 94.87 0.02 0.24 0.00 0.44 0.12 13 G C T 48.72 3.86 19.48 24.13 95.26 22.19 87.13 -5.88 99.38 0.41 0.21 0.70 4.21 94.58 0.01 0.17 0.00 0.29 0.04 14 Q C C 81.14 7.62 17.96 26.74 124.25 117.02 -90.40 155.09 91.63 8.24 0.13 67.87 23.65 0.45 0.02 0.13 0.00 7.07 0.82 15 S C C 61.82 9.04 18.70 28.74 124.82 -131.38 -105.48 145.70 57.47 42.52 0.02 56.60 0.81 0.04 0.00 0.01 0.00 41.84 0.70 16 V E E 13.49 21.94 14.95 36.90 127.82 -166.39 -129.65 142.09 1.49 98.51 0.00 1.48 0.03 0.00 0.00 0.00 0.00 98.41 0.08 17 T E E 68.88 7.51 24.84 32.97 119.22 -149.29 -109.10 130.41 0.39 99.61 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 18 I E E 5.58 25.55 15.94 42.24 120.88 -166.76 -114.78 129.56 2.01 97.99 0.00 1.89 0.06 0.00 0.00 0.00 0.00 97.99 0.05 19 S E E 46.49 8.07 26.68 35.31 122.16 -161.08 -109.08 140.12 15.35 84.63 0.01 14.08 0.58 0.04 0.00 0.01 0.00 85.16 0.14 20 C E E 7.12 25.09 15.79 40.94 129.97 -170.09 -130.81 144.41 24.29 75.66 0.04 22.34 1.06 0.09 0.01 0.03 0.00 76.04 0.43 21 T E E 61.73 7.82 26.27 34.68 126.12 -165.51 -122.96 141.98 16.60 83.30 0.10 14.61 1.65 0.19 0.05 0.06 0.00 80.40 3.05 22 G E E 14.21 18.96 17.87 35.73 141.39 148.15 -155.68 175.69 32.87 66.90 0.22 26.69 6.04 0.63 0.07 0.19 0.00 63.61 2.76 23 T C C 59.43 8.06 23.11 31.66 127.59 -102.30 -117.32 152.63 63.10 35.97 0.93 53.74 7.37 1.24 0.28 0.69 0.00 34.18 2.50 24 S C C 43.32 15.91 14.41 29.78 98.42 -128.67 -76.88 -7.17 59.40 10.66 29.94 34.91 13.06 13.00 7.01 22.11 0.05 7.85 1.99 25 S C G 77.48 3.76 18.97 23.12 95.89 69.88 -76.92 -15.72 57.11 8.13 34.75 23.86 16.01 19.87 8.10 24.58 0.13 5.18 2.27 26 D C C 79.74 7.97 16.92 25.58 101.61 54.50 -94.37 11.83 53.23 11.95 34.82 27.67 12.94 15.54 7.78 24.99 0.07 8.38 2.63 27 V C T 38.05 18.68 12.16 29.54 104.21 89.57 -88.94 38.25 55.38 21.21 23.41 17.16 14.91 24.77 8.51 13.03 1.03 10.81 9.79 28 G C T 49.79 5.06 18.76 24.52 99.58 -45.14 63.67 14.92 85.40 2.27 12.32 7.72 15.29 62.16 3.09 9.11 0.02 1.42 1.19 29 G C T 45.72 5.78 19.05 25.19 101.80 -25.92 86.08 -1.88 88.63 3.04 8.33 9.61 23.58 55.75 1.33 6.69 0.01 2.08 0.96 30 Y C C 63.76 15.60 16.09 31.54 120.29 89.38 -107.13 136.97 57.92 39.21 2.88 35.30 16.14 7.39 0.90 2.22 0.04 28.72 9.30 31 N C C 51.62 14.38 20.96 35.15 103.28 -155.74 -98.64 6.55 57.55 41.67 0.78 43.19 11.28 2.78 0.18 0.67 0.00 40.24 1.67 32 Y E E 45.58 15.50 24.23 39.78 133.22 59.96 -134.66 149.77 25.63 74.22 0.15 21.68 3.32 0.36 0.03 0.11 0.00 73.61 0.89 33 V E E 3.21 26.20 21.51 48.14 124.87 -161.65 -120.48 136.16 5.05 94.94 0.02 4.59 0.31 0.02 0.00 0.01 0.00 94.91 0.15 34 S E E 12.36 17.97 27.51 45.08 128.97 -168.19 -121.51 145.93 1.35 98.64 0.00 1.28 0.05 0.00 0.00 0.00 0.00 98.65 0.03 35 W E E 8.90 24.22 22.64 46.62 125.93 -157.92 -118.33 142.07 0.76 99.24 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.26 0.02 36 Y E E 26.04 17.40 23.63 40.94 132.38 -171.70 -129.95 150.02 1.00 99.00 0.00 0.85 0.05 0.00 0.00 0.00 0.00 99.04 0.05 37 Q E E 38.88 14.62 21.46 36.35 122.11 -146.82 -112.58 135.96 6.92 93.06 0.01 5.80 0.72 0.05 0.00 0.01 0.00 93.20 0.21 38 Q E E 63.74 12.91 16.53 29.95 115.89 -137.52 -94.68 129.04 41.58 58.37 0.06 35.28 5.16 0.27 0.01 0.06 0.00 58.13 1.09 39 H C C 74.74 8.57 14.11 24.27 121.40 -165.03 -111.13 141.82 94.46 5.50 0.04 89.70 4.78 0.24 0.01 0.03 0.00 4.27 0.97 40 P C T 105.30 3.38 12.08 17.14 108.95 -90.40 -58.80 134.51 99.45 0.18 0.37 0.69 4.88 93.90 0.02 0.37 0.00 0.12 0.03 41 G C T 68.28 0.38 12.91 11.10 96.37 16.27 83.38 -2.63 99.52 0.13 0.36 0.64 4.80 94.06 0.01 0.38 0.00 0.09 0.02 42 K C S 109.12 4.67 11.00 17.80 129.15 87.29 -118.95 159.02 90.38 9.21 0.42 26.92 61.58 1.96 0.09 0.31 0.00 3.28 5.86 43 A C C 70.26 3.12 17.40 20.92 116.86 -98.41 -69.67 151.18 95.37 4.60 0.03 83.66 11.66 0.20 0.00 0.03 0.00 3.99 0.45 44 P C C 37.41 19.21 11.47 29.98 115.04 -99.88 -65.77 144.78 90.97 9.01 0.02 89.13 1.83 0.10 0.00 0.02 0.00 8.66 0.26 45 K E E 97.59 7.05 22.08 29.93 125.16 -158.91 -121.13 139.35 9.85 90.13 0.03 8.75 0.80 0.06 0.01 0.02 0.00 89.85 0.52 46 L E E 59.56 16.80 17.34 33.59 110.70 -116.50 -75.10 126.58 0.80 99.20 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.21 0.03 47 M E E 35.35 15.87 20.89 36.91 101.76 175.85 -97.69 -33.42 2.06 97.94 0.00 1.42 0.47 0.01 0.00 0.00 0.00 98.08 0.01 48 I E E 26.83 17.19 21.83 38.95 135.83 8.04 -146.67 141.59 0.45 99.55 0.00 0.36 0.03 0.00 0.00 0.00 0.00 99.60 0.01 49 Y E E 42.49 19.73 18.86 37.81 128.03 -172.97 -133.37 135.76 2.08 97.91 0.01 1.82 0.10 0.00 0.00 0.00 0.00 98.02 0.06 50 D E E 41.14 9.58 22.90 33.39 109.68 -159.45 -108.50 105.93 18.73 81.17 0.10 16.99 1.30 0.15 0.03 0.06 0.00 80.76 0.70 51 V C T 30.07 20.53 13.73 33.82 94.97 -171.96 -73.99 -15.16 71.21 9.08 19.71 12.36 12.81 46.33 0.87 19.08 0.01 7.55 1.00 52 S C T 78.56 3.50 19.08 23.10 94.40 60.52 -82.58 -18.01 79.02 3.05 17.93 7.63 16.81 53.34 0.60 18.77 0.00 2.15 0.69 53 K C S 125.34 3.30 19.14 22.89 121.97 40.84 -123.72 136.53 76.10 4.24 19.66 27.07 30.63 17.56 0.94 19.92 0.00 2.30 1.57 54 R C C 107.13 14.74 12.44 26.56 117.44 -133.92 -87.19 133.67 97.89 2.00 0.12 72.92 24.71 0.42 0.04 0.08 0.00 0.79 1.05 55 P C C 37.96 14.03 11.68 26.37 115.21 -110.06 -66.18 150.97 97.22 1.75 1.03 90.09 3.15 3.82 0.19 0.90 0.00 0.87 0.98 56 S C T 96.21 1.31 15.78 17.06 109.97 -98.69 -66.17 137.63 97.53 1.19 1.28 6.51 12.47 78.23 0.13 1.38 0.00 0.75 0.52 57 G C T 59.24 1.82 16.33 18.08 96.52 23.38 83.99 -2.23 97.57 1.21 1.21 9.51 14.83 73.00 0.10 1.39 0.00 0.87 0.31 58 V C C 26.00 20.00 8.45 27.01 115.42 110.11 -94.52 128.65 95.50 4.11 0.38 68.26 26.26 0.80 0.12 0.25 0.00 1.49 2.83 59 P C C 63.26 6.90 16.48 24.65 113.30 -117.78 -67.24 151.33 90.96 2.70 6.34 73.20 6.53 9.87 0.75 6.85 0.00 1.74 1.06 60 D C T 111.55 4.08 17.07 22.53 95.29 -105.09 -64.84 -9.38 81.34 3.28 15.37 23.52 25.01 32.48 1.07 15.01 0.01 2.04 0.85 61 R C T 103.30 10.71 18.10 28.93 97.97 69.62 -85.37 -7.53 72.43 10.93 16.64 23.40 25.01 25.04 1.16 15.32 0.01 9.00 1.06 62 F E E 23.72 22.76 13.60 35.56 115.84 85.66 -106.76 120.96 23.31 72.67 4.02 17.91 5.12 2.14 1.19 2.46 0.01 67.80 3.38 63 S E E 51.51 7.79 23.44 32.10 134.38 162.17 -133.98 153.59 12.08 87.70 0.22 10.63 1.36 0.25 0.10 0.12 0.00 86.32 1.22 64 G E E 21.25 19.29 14.89 32.81 141.08 170.43 -154.28 166.58 15.01 84.87 0.12 12.86 1.72 0.26 0.03 0.07 0.00 84.76 0.30 65 S E E 59.95 5.17 23.15 29.45 135.04 -157.16 -142.34 153.87 11.65 88.21 0.14 9.68 1.60 0.30 0.03 0.10 0.00 87.93 0.36 66 K E E 91.26 16.34 12.76 28.30 125.94 -150.63 -123.49 137.88 14.85 84.92 0.23 11.45 3.21 0.75 0.04 0.20 0.00 83.47 0.87 67 S E E 71.22 3.30 18.45 22.57 116.88 -174.41 -129.25 112.89 33.79 65.88 0.33 26.02 6.50 1.94 0.08 0.32 0.00 63.25 1.89 68 G C T 49.90 2.82 18.34 21.57 109.89 -47.18 61.35 -130.26 98.78 0.85 0.37 1.56 33.32 64.02 0.01 0.36 0.00 0.64 0.09 69 N C T 68.22 13.73 15.03 29.02 96.62 -17.78 -96.90 8.44 99.01 0.71 0.29 1.35 33.80 63.97 0.01 0.28 0.00 0.54 0.06 70 T E E 45.29 10.38 21.53 33.20 125.40 86.58 -114.17 139.55 17.52 82.44 0.03 13.31 4.14 0.28 0.00 0.03 0.00 80.96 1.27 71 A E E 3.84 24.24 16.81 41.61 127.90 -171.99 -126.83 142.53 5.44 94.55 0.00 5.01 0.19 0.01 0.00 0.00 0.00 94.53 0.25 72 S E E 27.80 10.88 27.25 39.11 126.57 -162.22 -122.38 140.30 5.86 94.13 0.00 4.85 0.46 0.01 0.00 0.00 0.00 94.62 0.05 73 L E E 3.07 26.38 18.70 45.94 122.32 -166.38 -118.93 131.14 1.14 98.86 0.00 1.02 0.02 0.00 0.00 0.00 0.00 98.95 0.01 74 T E E 44.17 9.92 27.48 38.14 120.82 -163.95 -117.22 130.02 0.21 99.79 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.77 0.01 75 I E E 5.53 25.10 17.12 42.91 117.73 -165.72 -115.41 123.68 1.37 98.63 0.00 1.43 0.02 0.00 0.00 0.00 0.00 98.30 0.25 76 S C C 49.18 7.42 23.59 31.42 129.64 -174.15 -121.89 151.58 67.62 32.26 0.13 36.12 19.69 10.00 0.01 0.15 0.00 33.57 0.46 77 G C S 44.19 3.69 23.95 28.24 94.09 19.39 71.98 25.63 96.20 3.74 0.05 7.38 76.34 11.84 0.00 0.07 0.00 4.25 0.13 78 L C C 13.47 24.52 10.20 34.15 115.66 -163.85 -74.56 139.14 95.65 4.31 0.03 95.03 1.20 0.06 0.01 0.02 0.00 2.80 0.88 79 Q C C 85.97 4.66 23.99 28.55 130.41 -168.48 -120.73 157.22 95.60 4.27 0.13 96.13 0.35 0.03 0.05 0.03 0.00 1.21 2.20 80 A H G 55.05 12.71 14.96 27.79 91.66 -103.92 -58.96 -33.37 4.89 0.04 95.06 0.45 0.40 3.19 1.23 94.69 0.00 0.03 0.00 81 E H G 130.54 2.89 20.64 23.77 90.63 62.07 -71.41 -16.48 3.85 0.04 96.11 0.29 0.29 2.59 1.14 95.65 0.00 0.03 0.00 82 D H G 23.28 19.58 14.05 33.38 93.97 68.98 -81.82 -1.35 5.40 0.06 94.54 1.37 0.70 2.06 1.57 94.24 0.00 0.05 0.00 83 E C C 84.66 13.41 18.81 31.80 109.34 111.85 -76.09 121.59 90.45 2.00 7.55 79.09 8.70 2.72 1.84 5.74 0.00 1.19 0.72 84 A C C 37.84 10.67 20.59 31.58 133.71 108.88 -135.67 168.03 66.95 30.38 2.67 45.64 18.98 3.08 0.77 1.99 0.01 26.01 3.53 85 D E E 75.78 8.18 23.23 31.56 115.06 -73.92 -85.80 131.69 27.81 70.16 2.03 23.04 4.31 1.38 0.66 1.22 0.00 67.98 1.40 86 Y E E 18.64 24.26 15.66 39.75 126.75 -170.11 -120.08 141.57 8.24 90.75 1.01 7.15 0.97 0.45 0.44 0.46 0.00 89.62 0.92 87 Y E E 69.98 11.63 26.88 38.98 126.03 -167.75 -122.62 138.62 6.37 92.91 0.72 5.42 0.73 0.32 0.28 0.31 0.00 92.49 0.45 88 C E E 10.14 24.23 19.07 42.98 122.96 -155.16 -113.20 137.30 13.41 85.84 0.75 11.73 1.32 0.40 0.30 0.33 0.00 85.42 0.50 89 S E E 26.47 13.74 24.67 38.36 131.95 -177.68 -132.12 151.42 23.33 75.00 1.67 18.70 3.94 1.19 0.73 0.73 0.00 73.97 0.74 90 S E E 25.17 18.66 19.65 37.47 127.93 -156.75 -123.81 148.22 30.31 66.28 3.41 24.22 5.02 2.05 1.63 1.47 0.00 64.66 0.95 91 Y E E 83.39 13.28 20.48 33.55 124.48 -168.37 -122.83 139.34 33.28 60.84 5.89 25.28 6.54 3.10 3.32 2.33 0.02 57.98 1.42 92 E E E 82.21 12.05 18.94 30.92 119.79 -161.50 -110.61 134.24 38.02 54.95 7.02 28.33 7.05 3.79 3.69 2.93 0.03 52.86 1.32 93 Y E E 100.56 11.76 17.32 29.27 116.02 -155.81 -102.63 126.00 42.99 50.61 6.39 30.20 8.82 5.60 3.04 3.07 0.03 47.51 1.72 94 F C E 87.43 12.38 15.71 28.15 115.46 -158.98 -105.10 120.32 53.68 40.22 6.10 27.06 14.59 15.15 2.22 3.71 0.07 34.64 2.57 95 G C T 42.92 6.92 17.46 24.98 111.19 -39.81 86.98 -156.72 81.57 14.47 3.96 22.33 23.36 36.69 0.72 3.04 0.01 12.47 1.38 96 G C T 42.50 8.09 17.88 26.09 110.99 -20.60 -75.08 46.15 84.40 12.08 3.52 21.27 28.41 35.26 0.45 3.00 0.00 10.34 1.27 97 G C C 21.76 12.78 17.91 30.76 125.12 -76.01 120.19 -170.78 66.40 32.06 1.54 35.23 21.59 10.69 0.24 1.41 0.00 29.37 1.47 98 T E E 26.31 19.49 17.01 35.85 124.19 -97.75 -112.42 137.68 46.09 53.06 0.85 38.09 5.65 1.81 0.22 0.63 0.00 52.44 1.15 99 K E E 90.40 10.00 24.32 34.51 122.89 -156.84 -115.46 134.27 24.73 74.42 0.85 20.29 3.85 1.14 0.32 0.48 0.00 73.03 0.88 100 L E E 12.66 23.78 16.48 40.23 121.30 -162.71 -112.85 131.10 18.28 80.98 0.73 16.10 1.49 0.48 0.29 0.32 0.00 80.91 0.42 101 T E E 52.03 8.36 25.09 33.89 120.30 -163.43 -112.77 131.34 11.71 87.42 0.87 10.09 1.16 0.54 0.37 0.40 0.00 87.00 0.44 102 V E E 26.00 19.72 14.68 34.24 116.93 -155.76 -104.20 126.83 12.26 87.07 0.67 11.19 0.90 0.35 0.35 0.28 0.00 86.01 0.92 103 L E E 71.73 8.15 17.27 26.54 119.81 -162.24 -104.34 140.03 30.85 68.76 0.39 29.99 0.63 0.27 0.18 0.16 0.00 67.27 1.51 104 S C C 64.43 7.58 16.37 24.74 114.92 -113.56 -80.95 141.48 99.05 0.94 0.01 99.07 0.08 0.02 0.00 0.00 0.00 0.82 0.01