# 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 100.03 8.32 14.85 24.00 114.00 -162.84 -94.82 125.27 99.85 0.14 0.01 99.80 0.08 0.03 0.00 0.00 0.00 0.06 0.02 1 L C C 104.36 6.42 14.84 22.37 113.41 -153.37 -88.64 125.75 87.99 11.38 0.63 85.70 2.18 0.89 0.35 0.20 0.00 5.98 4.70 2 M C C 43.60 16.88 8.96 24.97 119.31 -135.10 -92.11 139.88 93.10 6.77 0.13 64.91 29.03 0.24 0.09 0.04 0.00 4.11 1.57 3 P C C 66.29 3.87 16.25 21.05 114.96 -104.02 -64.31 150.71 97.12 2.62 0.25 97.18 0.57 0.10 0.17 0.03 0.00 1.30 0.65 4 K H H 138.70 4.65 12.49 19.30 91.58 -110.78 -57.34 -38.73 3.88 0.01 96.11 0.63 0.58 2.51 93.91 2.37 0.00 0.00 0.00 5 K H H 146.43 1.51 16.90 18.12 91.37 54.12 -64.32 -37.53 2.65 0.01 97.34 0.28 0.25 1.98 94.89 2.59 0.00 0.00 0.00 6 N H H 44.10 12.08 15.03 27.93 93.11 47.57 -71.05 -34.03 1.82 0.01 98.16 0.42 0.19 1.10 95.43 2.84 0.00 0.01 0.00 7 R H H 58.74 17.63 16.22 32.99 91.75 56.24 -62.38 -42.75 0.60 0.00 99.39 0.19 0.06 0.27 99.29 0.20 0.00 0.00 0.00 8 I H H 75.92 6.72 22.11 29.32 91.55 50.33 -63.89 -41.58 0.18 0.00 99.82 0.02 0.01 0.09 99.82 0.05 0.00 0.00 0.00 9 A H H 34.28 7.00 22.68 30.64 91.50 50.65 -63.82 -42.00 0.13 0.00 99.87 0.01 0.00 0.08 99.84 0.06 0.00 0.00 0.00 10 I H H 8.05 22.74 19.83 42.48 92.11 49.13 -64.21 -44.09 0.15 0.00 99.85 0.01 0.00 0.11 99.80 0.07 0.00 0.00 0.00 11 Y H H 36.34 19.85 21.71 40.32 91.45 50.44 -63.14 -42.41 0.23 0.00 99.77 0.02 0.01 0.18 99.72 0.08 0.00 0.00 0.00 12 E H H 86.92 5.89 24.69 30.82 91.56 50.80 -63.93 -41.49 0.26 0.00 99.74 0.01 0.01 0.22 99.63 0.12 0.00 0.00 0.00 13 L H H 30.77 12.02 22.00 34.85 91.79 50.15 -64.74 -42.48 0.47 0.00 99.53 0.02 0.02 0.43 99.27 0.26 0.00 0.00 0.00 14 L H H 4.35 24.96 17.64 42.65 91.87 49.61 -64.76 -42.49 1.22 0.00 98.77 0.08 0.09 1.04 98.15 0.62 0.00 0.00 0.00 15 F H H 56.55 17.03 19.37 35.32 92.72 46.62 -67.86 -39.49 3.93 0.02 96.05 0.30 0.29 3.30 94.23 1.84 0.02 0.01 0.01 16 K H H 132.67 2.98 23.00 26.01 93.48 47.87 -70.84 -36.23 12.31 0.04 87.65 0.51 0.77 11.11 85.88 1.65 0.04 0.02 0.02 17 E H H 77.57 10.17 20.26 30.71 96.73 34.70 -95.13 -10.37 38.97 0.12 60.91 1.35 3.49 32.97 60.44 1.58 0.05 0.04 0.09 18 G C T 12.17 15.70 21.56 37.45 98.47 -111.07 81.86 15.06 98.05 1.38 0.58 25.97 12.38 59.92 0.20 0.25 0.00 1.12 0.14 19 V E E 11.00 22.16 22.37 44.06 123.68 135.40 -110.55 138.53 40.55 59.39 0.06 36.77 2.37 0.17 0.01 0.04 0.00 59.83 0.81 20 M E E 10.54 22.77 25.34 47.22 121.91 -158.04 -111.53 135.18 4.88 95.10 0.02 4.64 0.23 0.02 0.01 0.01 0.00 94.54 0.54 21 V E E 20.95 20.04 26.53 45.37 119.94 -155.97 -109.87 129.60 3.48 96.50 0.02 3.26 0.19 0.02 0.01 0.01 0.00 96.00 0.51 22 A E E 6.90 22.94 18.44 41.17 122.24 -151.91 -102.22 143.49 17.75 82.17 0.08 16.81 0.78 0.08 0.03 0.04 0.00 81.22 1.05 23 K C E 100.48 9.04 23.00 31.96 112.13 -119.61 -75.54 144.31 55.46 43.72 0.83 39.02 14.93 2.38 0.18 0.69 0.00 41.25 1.54 24 K C S 98.09 10.84 19.18 29.83 112.59 -81.18 -87.36 135.85 89.17 8.41 2.42 26.85 52.88 9.67 0.39 1.96 0.00 6.77 1.48 25 D C C 52.62 12.73 15.86 28.95 107.20 -74.81 -95.70 100.22 93.32 4.02 2.66 74.11 13.20 5.51 0.54 2.48 0.00 2.39 1.78 26 V C T 69.19 10.98 15.14 26.91 96.97 148.82 -77.29 -14.78 94.90 2.07 3.03 21.81 24.98 48.15 0.49 2.61 0.00 1.11 0.85 27 H C T 127.50 4.42 17.79 23.04 99.92 56.34 -94.79 11.21 95.29 1.63 3.08 22.24 25.13 47.91 0.55 2.56 0.00 0.82 0.80 28 M C C 50.18 15.33 9.78 24.94 115.85 123.48 -79.90 136.46 88.35 1.58 10.07 56.78 25.23 5.72 1.26 9.19 0.00 0.62 1.21 29 P C C 86.49 3.91 17.18 21.80 111.08 -110.91 -65.16 148.45 88.33 0.74 10.93 49.72 12.72 24.06 0.98 11.75 0.00 0.38 0.38 30 K C C 132.69 5.51 15.47 22.33 107.94 -99.25 -77.51 130.41 83.58 1.71 14.71 36.30 20.48 26.15 1.46 13.82 0.00 0.73 1.07 31 H C C 43.84 16.13 9.93 25.67 107.77 2.45 -108.46 97.17 97.72 0.59 1.69 81.24 15.55 0.92 0.99 0.55 0.00 0.17 0.59 32 P H G 88.22 2.82 16.89 20.29 93.23 -160.74 -62.28 -32.74 32.41 0.16 67.43 4.80 3.08 22.23 25.08 44.63 0.00 0.08 0.10 33 E H G 104.06 4.49 16.06 21.64 91.90 57.52 -67.64 -28.76 29.88 0.15 69.97 1.99 2.44 23.26 27.23 44.87 0.02 0.08 0.11 34 L H G 16.90 18.60 9.88 28.04 95.49 49.57 -81.94 -23.93 24.72 0.34 74.94 3.95 3.42 15.83 30.17 46.26 0.02 0.18 0.18 35 A H T 57.07 8.17 13.04 22.57 93.12 68.74 -64.53 -32.06 47.90 0.44 51.66 6.42 5.33 33.59 31.47 22.52 0.08 0.21 0.37 36 D C T 120.91 1.11 15.68 15.73 95.54 49.36 -83.22 -6.59 62.59 0.38 37.03 5.97 7.32 47.82 19.75 18.53 0.04 0.18 0.40 37 K C T 105.97 7.77 12.67 21.47 102.76 72.63 -94.01 10.17 79.69 0.62 19.69 13.02 27.89 39.55 9.29 9.31 0.01 0.24 0.68 38 N C T 126.40 2.28 18.22 21.02 98.01 -122.17 10.93 43.69 98.48 0.39 1.13 31.97 21.02 45.56 0.27 0.78 0.00 0.20 0.19 39 V C C 17.75 19.75 11.07 30.67 115.86 153.48 -96.15 127.99 98.64 1.23 0.13 79.38 19.04 0.21 0.09 0.04 0.00 0.39 0.85 40 P C C 52.84 5.72 23.38 29.70 113.23 -115.17 -67.33 143.81 98.13 1.49 0.38 97.91 0.41 0.09 0.27 0.03 0.00 0.29 1.00 41 N H H 41.60 19.40 15.32 34.00 92.31 -120.25 -59.04 -37.70 2.56 0.01 97.43 0.91 0.39 1.08 97.01 0.60 0.00 0.00 0.00 42 L H H 85.15 5.90 22.74 29.01 91.44 57.38 -63.65 -37.47 0.44 0.00 99.56 0.06 0.03 0.27 99.08 0.55 0.00 0.00 0.00 43 H H H 62.86 10.32 22.36 33.09 91.82 50.86 -65.38 -40.78 0.15 0.00 99.85 0.02 0.01 0.10 99.22 0.65 0.00 0.00 0.00 44 V H H 2.33 26.08 17.71 44.29 91.15 49.75 -63.41 -43.71 0.10 0.00 99.90 0.01 0.00 0.06 99.75 0.17 0.00 0.00 0.00 45 M H H 46.98 15.32 22.04 36.78 91.35 50.68 -62.77 -42.37 0.12 0.00 99.88 0.01 0.00 0.08 99.75 0.15 0.00 0.00 0.00 46 K H H 113.53 3.11 26.05 28.74 91.42 50.48 -64.03 -41.00 0.38 0.00 99.62 0.02 0.01 0.30 99.26 0.40 0.00 0.00 0.00 47 A H H 13.23 16.90 20.34 37.46 91.85 50.24 -65.02 -40.35 1.73 0.00 98.26 0.07 0.06 1.51 97.52 0.84 0.00 0.00 0.00 48 M H H 8.41 24.12 17.28 41.06 92.32 50.86 -71.14 -28.56 10.03 0.04 89.94 0.91 0.75 8.03 87.98 2.29 0.02 0.02 0.02 49 Q H H 95.85 7.39 21.62 29.63 92.54 67.04 -61.91 -38.68 30.85 0.40 68.76 4.24 2.97 23.10 61.31 7.88 0.09 0.21 0.20 50 S H H 54.34 4.87 21.37 26.35 92.28 53.25 -67.81 -34.17 43.03 0.81 56.16 7.11 5.08 30.24 47.22 9.42 0.11 0.47 0.35 51 L H H 15.11 20.27 13.43 33.47 93.44 56.93 -70.15 -32.09 39.22 4.36 56.42 18.95 8.40 13.53 41.71 13.06 0.21 2.63 1.52 52 K H H 101.79 11.35 15.74 27.20 92.61 62.99 -63.32 -38.71 35.63 10.60 53.77 19.82 6.55 11.60 36.61 14.88 0.27 7.79 2.50 53 S H H 85.28 1.83 17.24 18.97 90.65 56.23 -68.27 -20.98 36.83 16.68 46.48 12.43 7.91 18.18 26.63 17.29 1.53 11.23 4.80 54 R C T 122.97 6.31 14.84 22.51 93.00 56.29 -88.75 2.39 80.81 1.47 17.72 3.69 10.84 66.69 7.84 9.07 0.09 0.85 0.92 55 G C T 46.65 4.38 18.85 24.07 94.66 -110.50 80.53 11.34 97.36 0.30 2.33 2.68 12.46 82.72 0.39 1.46 0.00 0.17 0.12 56 Y C S 42.82 16.06 15.98 32.60 97.38 116.08 -88.68 -22.29 78.90 20.23 0.87 18.06 48.59 13.06 0.22 0.69 0.01 17.23 2.14 57 V E E 8.13 23.22 12.60 35.95 132.82 33.96 -134.57 148.35 25.63 74.14 0.23 18.44 7.34 0.68 0.11 0.16 0.00 69.61 3.68 58 K E E 110.62 4.54 23.66 28.56 122.62 -148.01 -110.74 141.88 12.17 87.81 0.02 11.22 0.61 0.04 0.00 0.01 0.00 87.70 0.40 59 E E E 80.50 16.59 13.78 29.43 122.75 -142.41 -110.98 136.64 5.07 94.92 0.01 4.88 0.19 0.01 0.00 0.00 0.00 94.78 0.14 60 Q E E 83.34 6.52 17.05 25.02 125.95 -171.33 -126.17 136.89 4.10 95.89 0.01 3.67 0.29 0.03 0.00 0.00 0.00 95.86 0.14 61 F E E 115.52 8.11 12.24 21.79 117.91 -143.89 -101.41 131.74 15.03 84.94 0.03 12.70 1.51 0.15 0.01 0.02 0.00 85.00 0.61 62 A C C 48.72 7.17 10.67 19.60 117.94 -175.84 -119.94 129.48 63.34 36.57 0.09 53.11 7.85 0.61 0.01 0.09 0.00 37.60 0.73 63 W C S 191.67 2.33 12.83 15.70 101.28 -56.90 -15.94 -24.78 95.44 3.78 0.78 17.74 58.13 19.71 0.08 0.70 0.00 3.17 0.48 64 R C S 165.91 2.85 13.79 17.42 100.35 -16.19 -89.75 -11.10 97.88 1.45 0.67 9.91 64.40 23.67 0.06 0.60 0.00 1.17 0.20 65 H C E 72.36 9.08 13.62 24.17 128.28 46.40 -127.48 149.13 62.60 36.86 0.53 23.96 28.19 10.60 0.04 0.59 0.00 35.87 0.74 66 F E E 51.34 12.91 15.61 29.97 119.72 -137.15 -106.11 133.56 13.85 86.12 0.03 12.16 1.13 0.14 0.00 0.03 0.00 86.20 0.34 67 Y E E 35.40 14.53 19.38 35.06 127.05 -172.25 -124.09 142.23 1.52 98.48 0.00 1.40 0.06 0.00 0.00 0.00 0.00 98.49 0.05 68 W E E 26.58 18.95 20.08 39.27 122.14 -153.89 -110.45 136.58 0.65 99.35 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.39 0.01 69 Y E E 47.34 14.56 24.94 39.45 124.24 -165.65 -118.24 136.18 1.87 98.13 0.00 1.69 0.06 0.00 0.00 0.00 0.00 98.16 0.08 70 L E E 8.08 23.74 17.44 41.77 114.60 -129.68 -84.62 133.20 13.09 86.91 0.00 13.06 0.20 0.01 0.00 0.00 0.00 85.62 1.10 71 T C C 29.14 10.94 21.84 33.69 125.12 -142.56 -89.84 169.94 91.00 8.94 0.07 90.76 0.95 0.04 0.03 0.01 0.00 7.81 0.39 72 N H H 92.05 7.63 19.04 27.64 91.15 -97.15 -59.91 -38.13 1.99 0.00 98.01 0.28 0.29 1.22 97.89 0.31 0.00 0.00 0.00 73 E H H 105.56 3.03 23.08 25.52 91.53 52.68 -64.15 -40.07 0.50 0.00 99.50 0.03 0.03 0.39 99.32 0.24 0.00 0.00 0.00 74 G H H 3.32 20.48 16.53 37.63 91.55 50.73 -63.68 -43.12 0.30 0.00 99.70 0.03 0.02 0.19 99.52 0.25 0.00 0.00 0.00 75 I H H 17.08 19.92 17.89 37.69 91.56 50.28 -63.61 -42.45 0.15 0.00 99.85 0.02 0.01 0.08 99.85 0.05 0.00 0.00 0.00 76 Q H H 97.13 3.37 23.85 26.73 91.52 51.11 -63.55 -41.95 0.23 0.00 99.77 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 77 Y H H 71.06 8.15 21.28 30.44 91.80 49.27 -64.34 -42.70 0.40 0.00 99.60 0.03 0.01 0.28 99.63 0.05 0.00 0.00 0.00 78 L H H 6.39 23.21 16.28 39.60 91.70 48.41 -64.82 -42.60 0.31 0.00 99.69 0.03 0.01 0.21 99.68 0.08 0.00 0.00 0.00 79 R H H 70.62 13.25 16.93 30.39 91.86 49.99 -64.51 -41.05 0.33 0.00 99.67 0.02 0.02 0.23 99.63 0.09 0.00 0.00 0.00 80 D H H 104.60 1.56 20.43 20.71 93.77 46.19 -68.78 -39.75 1.04 0.00 98.96 0.03 0.03 0.95 98.81 0.18 0.00 0.00 0.00 81 Y H H 95.89 9.56 17.04 27.20 97.52 39.91 -80.64 -37.97 6.17 0.01 93.82 0.10 0.23 6.13 93.23 0.30 0.01 0.00 0.00 82 L H H 31.66 16.90 14.04 31.23 98.43 32.94 -98.89 -8.22 44.62 0.19 55.19 1.73 5.44 35.71 56.04 0.82 0.06 0.04 0.16 83 H C T 138.86 3.22 20.31 24.04 93.87 -125.62 58.75 39.32 99.25 0.11 0.64 39.08 3.76 56.60 0.29 0.17 0.00 0.05 0.05 84 L C C 24.34 18.75 9.47 27.85 120.52 161.87 -83.84 141.75 99.75 0.22 0.03 89.96 9.66 0.10 0.01 0.01 0.00 0.06 0.20 85 P C C 61.23 4.00 19.15 23.64 114.00 -103.22 -64.23 145.46 99.90 0.05 0.05 99.64 0.25 0.05 0.01 0.01 0.00 0.01 0.02 86 P H G 79.68 10.91 11.48 23.07 91.41 -117.71 -58.57 -30.73 33.72 0.07 66.21 1.03 1.77 27.79 1.36 67.99 0.00 0.04 0.02 87 E H G 154.18 1.07 17.58 17.79 90.22 62.86 -69.66 -17.96 33.75 0.09 66.15 0.62 1.54 29.62 1.48 66.67 0.00 0.06 0.02 88 I H G 69.14 10.41 14.81 26.02 97.38 48.68 -93.17 -13.01 32.95 0.33 66.72 1.65 3.62 25.85 2.00 66.60 0.00 0.19 0.08 89 V C S 20.96 20.30 10.59 30.22 116.66 85.45 -96.46 129.65 97.43 1.17 1.40 17.00 80.11 0.40 1.39 0.09 0.00 0.27 0.75 90 P C C 40.19 8.29 15.62 26.13 113.39 -115.12 -65.14 146.89 91.23 3.85 4.92 88.43 2.16 0.94 2.74 1.47 0.00 1.39 2.87 91 A H G 73.90 4.88 14.58 20.97 91.97 -119.07 -59.90 -31.57 29.62 0.37 70.02 4.95 4.67 19.16 16.89 53.96 0.01 0.21 0.16 92 T H G 84.96 3.95 15.30 20.45 91.51 63.60 -68.64 -21.23 28.83 0.44 70.74 4.73 3.89 18.89 19.61 52.44 0.02 0.25 0.17 93 L H G 49.98 14.66 11.26 25.78 95.54 57.99 -80.91 -13.61 28.38 1.48 70.14 12.70 6.15 10.74 17.71 51.39 0.01 0.83 0.46 94 R C C 122.67 8.48 12.21 21.84 105.75 86.54 -82.91 82.74 66.63 5.67 27.71 41.24 16.68 9.21 16.88 10.20 0.04 2.39 3.36 95 R C C 150.84 4.26 10.27 16.40 109.07 -140.43 -86.15 119.17 82.04 4.55 13.41 57.37 14.73 9.46 9.15 4.48 0.00 2.17 2.63 96 S C C 82.02 3.04 8.63 13.68 113.09 -141.21 -92.67 130.48 95.58 1.15 3.28 90.95 1.35 3.85 2.05 0.67 0.00 0.61 0.52 97 R C C 179.04 2.08 10.96 14.55 107.02 -131.08 -85.26 62.79 99.95 0.03 0.02 99.82 0.08 0.06 0.01 0.00 0.00 0.01 0.00