# 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 110.58 7.24 15.06 23.22 115.87 -137.65 -97.18 135.92 99.88 0.12 0.00 99.86 0.05 0.01 0.00 0.00 0.00 0.07 0.00 1 A C C 50.51 9.01 13.52 23.67 115.79 -142.67 -85.25 144.09 84.98 14.92 0.11 84.57 0.48 0.24 0.02 0.05 0.00 13.94 0.72 2 T E E 71.65 8.38 15.81 25.32 123.43 -151.57 -115.40 141.18 48.14 51.75 0.11 38.88 7.43 0.38 0.01 0.10 0.00 52.63 0.56 3 Y E E 39.91 16.66 14.11 31.22 128.22 -169.47 -127.39 144.41 7.31 92.67 0.02 6.55 0.47 0.03 0.00 0.02 0.00 92.78 0.15 4 K E E 107.34 6.38 22.51 29.55 118.05 -139.47 -102.98 130.45 1.95 98.05 0.00 1.80 0.06 0.00 0.00 0.00 0.00 98.12 0.02 5 V E E 6.39 23.62 14.34 38.31 127.50 -173.25 -125.62 142.94 0.75 99.25 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.27 0.01 6 T E E 38.25 8.32 25.06 34.50 117.72 -146.50 -107.73 129.18 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 7 L E E 6.91 23.23 16.14 39.97 119.76 -161.28 -109.79 129.66 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 8 V E E 44.31 8.43 20.68 30.82 115.59 -153.12 -106.71 123.87 1.56 98.43 0.00 1.45 0.06 0.00 0.00 0.00 0.00 98.29 0.20 9 R C C 51.16 12.63 12.77 26.57 122.57 -151.58 -88.39 163.63 96.99 2.99 0.02 97.20 0.25 0.03 0.00 0.01 0.00 2.36 0.15 10 P C T 97.65 5.10 12.34 19.33 90.72 -102.90 -60.30 -25.50 98.87 0.21 0.91 0.60 3.34 94.89 0.02 0.97 0.00 0.15 0.03 11 D C T 119.63 0.93 13.11 13.36 93.39 54.99 -86.23 -0.14 99.00 0.08 0.92 0.26 2.82 95.91 0.01 0.94 0.00 0.04 0.01 12 G C S 47.50 3.58 12.32 17.46 100.25 -100.57 91.45 3.63 98.40 0.88 0.72 14.75 81.98 1.89 0.05 0.58 0.00 0.49 0.26 13 S C C 56.53 4.10 13.13 19.04 117.60 134.17 -78.60 146.19 96.52 3.43 0.06 94.26 2.42 0.21 0.01 0.04 0.00 2.59 0.46 14 E E E 112.59 8.56 12.49 22.92 123.20 -151.33 -116.33 137.56 10.34 89.63 0.03 9.28 0.96 0.08 0.01 0.02 0.00 89.25 0.40 15 T E E 51.77 9.75 16.21 27.39 129.12 -175.63 -131.07 144.65 1.26 98.74 0.00 1.09 0.06 0.00 0.00 0.00 0.00 98.83 0.01 16 T E E 77.66 8.89 17.32 27.65 122.03 -146.81 -112.61 134.96 0.53 99.47 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.50 0.00 17 I E E 21.02 17.95 14.97 33.59 124.31 -171.35 -123.06 136.92 0.86 99.14 0.00 0.81 0.02 0.00 0.00 0.00 0.00 99.16 0.01 18 D E E 93.18 4.81 23.38 29.03 114.54 -136.73 -90.64 125.19 4.13 95.87 0.00 3.76 0.18 0.00 0.00 0.00 0.00 96.00 0.05 19 V E E 11.28 21.69 12.43 34.00 131.96 173.14 -134.90 150.96 24.48 75.51 0.00 23.55 0.71 0.01 0.00 0.00 0.00 75.24 0.48 20 P C C 55.00 4.93 21.68 27.04 115.14 -104.43 -66.91 149.56 52.41 47.52 0.06 50.53 1.61 0.17 0.02 0.05 0.00 45.35 2.27 21 E C T 86.01 14.34 13.63 27.85 92.12 -111.54 -62.02 -27.42 98.95 0.50 0.55 0.65 5.35 93.09 0.04 0.43 0.00 0.32 0.11 22 D C T 112.20 2.27 19.83 22.11 94.56 53.56 -89.38 0.67 99.26 0.25 0.49 1.06 4.85 93.40 0.05 0.41 0.00 0.17 0.06 23 E C C 61.05 11.78 17.18 29.81 124.28 95.89 -96.68 146.48 95.75 3.39 0.85 55.36 40.36 0.71 0.48 0.33 0.00 1.45 1.31 24 Y C C 59.75 13.23 23.43 36.66 117.30 -114.60 -78.78 147.76 54.99 43.78 1.23 52.48 1.15 0.13 1.25 0.08 0.00 4.43 40.47 25 I H H 2.24 27.13 20.34 48.50 91.42 -120.47 -60.24 -39.99 1.97 0.05 97.98 0.60 0.30 1.04 97.59 0.43 0.01 0.03 0.01 26 L H H 17.19 21.13 22.31 42.56 90.97 53.52 -62.69 -41.42 1.27 0.06 98.66 0.55 0.16 0.60 98.25 0.37 0.00 0.05 0.01 27 D H H 65.24 4.28 26.54 30.86 91.48 49.37 -64.55 -40.75 0.96 0.08 98.96 0.55 0.15 0.34 98.36 0.52 0.00 0.07 0.01 28 V H H 12.16 14.64 20.01 36.02 91.66 50.23 -63.91 -42.93 0.86 0.11 99.03 0.41 0.18 0.37 98.68 0.26 0.01 0.07 0.02 29 A H H 3.18 22.67 14.55 37.87 91.16 50.64 -63.02 -43.42 1.24 0.19 98.57 0.62 0.21 0.55 98.18 0.27 0.01 0.13 0.03 30 E H H 107.71 6.46 17.87 25.47 91.58 50.09 -63.30 -40.90 1.21 0.06 98.72 0.37 0.10 0.71 98.42 0.33 0.00 0.05 0.01 31 E H H 139.07 1.93 17.48 19.61 90.74 52.83 -65.72 -29.45 5.23 0.03 94.73 0.26 0.21 4.92 94.19 0.37 0.01 0.02 0.01 32 Q C T 83.21 9.22 13.31 23.73 93.76 50.28 -89.89 1.03 73.51 0.03 26.46 0.22 0.69 72.29 26.26 0.50 0.00 0.01 0.02 33 G C T 60.97 1.06 19.29 18.73 94.49 -108.95 79.40 17.53 99.84 0.00 0.15 0.85 0.73 98.33 0.06 0.02 0.00 0.00 0.00 34 L C C 32.09 18.93 9.98 28.17 117.51 144.14 -95.57 135.11 97.97 1.94 0.09 96.67 1.43 0.14 0.04 0.03 0.00 1.19 0.50 35 D C C 105.50 2.66 23.62 26.20 109.25 -139.34 -92.91 112.40 88.36 11.51 0.13 87.24 1.56 0.32 0.04 0.07 0.00 7.42 3.35 36 L C C 18.47 24.25 12.27 35.80 116.90 -166.52 -104.03 127.14 91.83 8.06 0.10 89.59 2.41 0.23 0.03 0.06 0.00 5.48 2.19 37 P C C 61.56 8.44 23.12 32.07 99.81 -137.43 -71.95 7.32 94.36 5.16 0.48 63.04 27.58 3.72 0.09 0.47 0.00 3.84 1.26 38 F C C 63.61 15.76 18.71 33.87 132.25 54.90 -136.39 150.75 81.83 16.57 1.60 43.90 33.96 4.56 0.45 1.14 0.00 7.48 8.49 39 S C C 44.91 12.34 21.52 33.46 122.23 -143.37 -103.52 147.39 83.52 14.57 1.91 66.64 12.64 3.09 0.65 1.34 0.00 7.38 8.26 40 C C C 20.65 21.24 14.06 34.24 99.16 -136.71 -89.58 16.19 86.81 10.71 2.48 75.08 7.64 3.05 0.87 1.62 0.00 5.39 6.35 41 R C C 149.17 5.91 20.99 27.93 97.34 -140.20 -43.69 9.76 83.78 11.19 5.03 38.62 31.48 13.51 0.98 4.12 0.02 4.37 6.91 42 A C S 55.46 9.42 17.90 27.67 97.35 58.03 -85.88 0.09 88.27 4.55 7.18 9.90 39.89 37.88 0.79 6.61 0.01 2.21 2.70 43 G C T 38.33 10.95 17.09 27.94 96.82 -104.67 81.94 5.86 91.54 1.69 6.76 11.24 38.79 40.46 0.53 7.14 0.00 0.84 0.99 44 A C S 51.54 9.22 20.27 29.96 96.68 115.56 -85.66 -22.63 87.02 6.35 6.62 21.86 39.32 24.96 0.83 6.21 0.03 2.71 4.08 45 C C C 20.09 19.16 15.91 34.52 126.28 27.57 -129.32 140.11 81.71 11.09 7.20 36.09 29.41 15.71 1.29 5.89 0.03 4.37 7.21 46 S C S 58.84 10.63 22.07 32.97 94.25 -150.47 -76.22 -13.09 86.64 6.02 7.35 21.20 38.52 26.47 0.93 6.92 0.02 3.55 2.39 47 T C T 56.53 11.55 24.60 36.43 97.48 66.28 -87.97 -3.51 82.43 10.70 6.86 22.83 29.94 29.94 0.79 6.23 0.02 7.15 3.11 48 C C C 5.31 24.50 20.31 44.46 105.37 95.43 -86.16 90.16 70.41 27.39 2.20 49.18 15.83 5.13 0.34 2.10 0.00 24.46 2.95 49 A E E 12.57 18.57 25.98 44.17 123.85 141.51 -99.17 147.80 21.50 78.38 0.13 18.62 2.61 0.28 0.04 0.09 0.00 76.28 2.07 50 G E E 3.40 23.30 22.35 44.70 141.72 168.52 -149.66 169.88 2.90 97.09 0.01 2.51 0.29 0.02 0.00 0.00 0.00 97.07 0.10 51 K E E 83.56 9.27 27.08 37.34 121.90 -108.40 -110.59 137.36 0.50 99.50 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.50 0.02 52 L E E 23.43 21.97 14.45 36.36 110.14 -118.84 -77.46 124.80 2.91 97.08 0.01 2.99 0.05 0.00 0.00 0.00 0.00 96.72 0.23 53 L E E 79.19 6.57 20.97 28.42 100.74 176.19 -96.98 -30.22 19.78 80.07 0.15 11.92 6.77 1.16 0.02 0.15 0.00 79.73 0.26 54 E E E 109.85 2.77 21.60 24.68 138.44 2.37 -149.86 154.56 44.36 55.45 0.19 5.27 33.56 5.37 0.01 0.19 0.00 55.13 0.48 55 G C S 36.93 4.27 19.73 24.85 127.36 27.03 95.87 -164.54 78.71 21.16 0.13 15.07 58.75 3.04 0.01 0.14 0.00 22.58 0.42 56 E C C 121.90 4.17 21.95 27.34 124.42 -56.46 -115.25 141.68 69.79 29.93 0.28 64.75 3.68 0.84 0.06 0.26 0.00 28.37 2.05 57 V E E 16.32 23.48 10.82 33.71 122.04 -155.80 -112.98 137.05 44.46 55.24 0.30 41.00 2.02 0.35 0.15 0.18 0.00 41.04 15.26 58 D C C 71.72 5.82 23.09 28.98 111.21 -145.94 -100.36 118.30 67.85 31.76 0.39 63.58 2.87 0.56 0.13 0.27 0.00 29.42 3.17 59 Q C G 69.94 16.89 12.79 29.03 95.63 -155.75 -76.14 -10.39 52.36 3.42 44.22 27.21 9.10 16.79 5.33 38.49 0.01 2.26 0.81 60 S C G 80.49 2.67 18.18 21.31 92.59 73.78 -70.63 -19.52 53.40 1.15 45.44 10.15 11.24 31.80 5.25 40.39 0.01 0.64 0.52 61 D C G 62.50 9.56 15.11 25.73 98.16 57.14 -96.20 18.07 53.61 1.08 45.31 24.50 9.06 19.55 5.94 39.96 0.00 0.56 0.43 62 Q H G 53.92 18.75 11.18 28.51 95.49 110.68 -71.82 -10.83 47.68 0.84 51.48 28.64 5.63 10.97 6.13 47.88 0.00 0.46 0.29 63 S H G 85.51 2.06 19.65 21.83 91.14 88.24 -71.22 -17.20 48.75 0.51 50.74 6.81 6.92 32.34 4.15 49.25 0.01 0.27 0.24 64 F C G 86.66 10.60 17.18 28.46 95.59 59.44 -91.24 -9.17 51.38 0.79 47.83 7.00 8.31 34.12 3.32 46.46 0.01 0.44 0.35 65 L C S 16.38 23.14 9.16 30.98 118.34 90.26 -91.44 138.45 95.62 2.55 1.83 45.89 48.30 1.06 0.88 0.65 0.00 0.48 2.74 66 D C C 76.76 3.88 19.43 23.23 120.93 -129.61 -84.45 162.62 99.64 0.21 0.16 98.38 1.22 0.09 0.10 0.02 0.00 0.05 0.14 67 D H H 105.83 3.97 13.66 19.64 92.32 -106.55 -59.63 -36.63 2.76 0.00 97.24 0.33 0.42 1.86 96.76 0.63 0.00 0.00 0.00 68 D H H 96.97 1.70 16.89 17.97 92.39 53.72 -65.44 -38.26 1.76 0.01 98.23 0.15 0.15 1.41 97.45 0.83 0.00 0.00 0.00 69 Q H H 33.33 13.38 12.84 27.17 92.44 50.79 -66.53 -39.98 1.24 0.04 98.72 0.22 0.12 0.89 97.40 1.32 0.01 0.03 0.01 70 I H H 37.79 16.84 11.93 28.35 92.35 51.35 -64.63 -40.71 1.18 0.02 98.80 0.21 0.09 0.83 97.83 1.01 0.00 0.01 0.01 71 E H H 145.77 1.53 17.90 19.16 91.23 53.86 -65.93 -27.82 10.51 0.03 89.46 0.31 0.33 10.04 88.24 1.04 0.02 0.01 0.01 72 K C T 124.88 3.41 17.51 21.40 92.77 54.52 -86.25 -3.70 77.95 0.02 22.03 0.30 0.88 76.61 21.43 0.76 0.00 0.00 0.01 73 G C T 25.11 10.39 17.74 29.25 98.47 -104.41 88.86 9.49 99.45 0.19 0.36 2.23 3.26 94.10 0.18 0.07 0.00 0.11 0.04 74 F C C 34.49 17.44 19.25 36.77 118.10 139.42 -92.42 135.14 55.09 44.88 0.03 51.34 3.22 0.14 0.01 0.03 0.00 43.49 1.78 75 V E E 14.79 20.32 23.72 43.45 120.48 -161.80 -117.83 130.00 15.53 84.43 0.04 14.08 0.95 0.08 0.02 0.02 0.00 78.98 5.86 76 L E E 11.36 22.36 24.87 46.68 110.73 -130.08 -79.62 126.43 30.14 69.74 0.12 29.05 1.01 0.15 0.04 0.07 0.00 67.24 2.44 77 T C C 14.89 22.05 25.40 46.25 100.24 -168.04 -90.31 -24.17 61.53 36.13 2.34 39.85 18.74 3.34 0.44 1.91 0.00 34.60 1.12 78 C C E 12.24 22.03 23.94 44.60 117.65 43.91 -114.31 124.52 55.45 41.13 3.42 21.61 29.96 5.43 0.55 2.62 0.01 38.53 1.29 79 V E E 37.62 16.56 25.99 41.65 118.84 -136.37 -113.79 126.31 37.00 59.18 3.82 27.76 8.11 2.49 1.11 2.54 0.01 55.34 2.64 80 A E E 8.44 22.11 20.24 42.00 131.53 138.02 -131.87 146.11 37.06 62.23 0.71 33.21 3.25 0.43 0.32 0.42 0.00 58.34 4.03 81 Y C C 97.45 10.30 25.66 36.11 116.59 -145.67 -106.91 124.00 51.77 48.17 0.05 47.64 3.36 0.15 0.02 0.04 0.00 47.21 1.59 82 P C C 18.69 22.72 12.80 35.04 113.39 -123.30 -69.84 142.23 53.84 45.81 0.35 48.05 3.82 0.75 0.10 0.29 0.00 39.56 7.42 83 R C S 153.59 3.47 21.49 25.45 98.71 -163.01 -98.89 -10.67 91.63 7.75 0.62 29.68 59.02 3.46 0.09 0.57 0.00 5.75 1.43 84 S C S 45.65 5.19 20.44 26.16 138.81 22.99 -145.65 171.14 93.42 6.34 0.25 7.29 83.92 2.49 0.01 0.18 0.00 5.73 0.37 85 D C C 96.16 4.69 21.09 26.69 112.17 -74.34 -69.06 136.09 85.56 14.18 0.26 73.18 9.60 1.39 0.02 0.33 0.00 14.93 0.54 86 C E E 12.18 23.56 12.48 35.64 130.09 -169.94 -128.90 149.07 22.23 77.71 0.06 21.49 0.88 0.08 0.01 0.04 0.00 76.80 0.70 87 K E E 93.25 7.08 26.43 34.29 121.04 -153.16 -115.28 132.10 2.31 97.67 0.01 2.21 0.10 0.01 0.00 0.00 0.00 97.51 0.15 88 I E E 12.38 23.77 16.84 40.82 118.18 -159.17 -107.74 126.48 2.00 97.98 0.02 1.90 0.08 0.01 0.01 0.01 0.00 97.90 0.09 89 L E E 47.65 10.25 23.92 34.76 120.91 -166.37 -110.67 133.75 10.77 89.13 0.10 10.38 0.38 0.06 0.04 0.04 0.00 88.68 0.41 90 T C C 24.49 18.23 16.85 34.63 122.72 -165.70 -108.56 151.38 60.98 35.58 3.44 52.06 5.53 1.94 1.34 1.76 0.00 36.25 1.12 91 N C C 69.32 10.15 17.92 28.30 99.23 -19.23 -59.61 -6.82 69.82 4.47 25.71 37.53 20.70 12.57 14.52 10.61 0.04 3.04 1.00 92 Q C C 84.79 6.96 16.43 24.31 97.83 85.32 -76.82 -17.40 62.85 1.20 35.95 37.49 12.10 12.74 21.77 14.77 0.01 0.61 0.51 93 E H G 76.31 10.72 12.35 23.78 95.00 73.97 -68.10 -32.87 38.72 0.76 60.52 24.38 5.63 8.17 28.56 32.59 0.00 0.41 0.27 94 E H G 114.05 4.89 12.83 19.28 94.44 61.05 -68.25 -31.04 23.89 0.61 75.50 10.17 3.74 9.29 29.89 46.36 0.00 0.35 0.18 95 E H G 129.46 2.79 13.03 16.89 95.17 58.59 -72.31 -22.61 28.88 0.83 70.29 11.11 4.12 12.93 25.01 46.06 0.01 0.50 0.26 96 L H G 83.11 7.81 10.08 19.03 98.42 58.21 -82.88 -13.75 43.54 1.10 55.36 25.54 2.63 16.16 20.36 34.15 0.00 0.63 0.52 97 Y C C 118.77 8.92 11.72 21.41 107.42 81.73 -87.32 82.54 99.71 0.10 0.20 99.37 0.22 0.17 0.15 0.01 0.00 0.04 0.02