# 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 L C C 62.44 12.80 14.82 27.96 113.46 -154.85 -90.52 128.06 99.89 0.05 0.06 99.83 0.07 0.04 0.03 0.00 0.00 0.02 0.01 1 H C C 88.17 7.44 15.48 24.06 112.12 -146.99 -87.33 138.70 74.33 1.48 24.19 70.23 1.03 3.08 23.44 0.92 0.00 0.44 0.87 2 F H H 63.15 10.95 15.06 27.23 94.81 -130.10 -64.84 -36.19 12.55 0.15 87.29 4.80 2.43 6.19 81.00 5.39 0.03 0.08 0.08 3 V H H 18.08 20.01 11.97 31.34 92.39 53.89 -65.76 -39.05 6.43 0.06 93.50 1.62 0.86 3.82 85.15 8.47 0.02 0.04 0.02 4 D H H 81.19 6.05 15.96 23.18 92.11 52.60 -66.23 -35.65 4.35 0.03 95.62 0.86 0.47 2.72 85.78 10.13 0.01 0.02 0.01 5 Q H H 119.16 2.24 17.44 19.49 92.80 50.65 -71.14 -29.83 13.27 0.03 86.70 0.71 1.04 11.16 79.87 7.13 0.04 0.01 0.02 6 Y C T 62.49 13.27 13.53 27.61 101.69 35.65 -111.38 9.32 61.38 0.10 38.52 6.76 3.84 49.59 36.15 3.53 0.01 0.03 0.09 7 R H H 65.63 18.29 13.07 30.48 92.78 110.57 -59.10 -42.88 1.07 0.00 98.93 0.31 0.07 0.50 98.67 0.45 0.00 0.00 0.00 8 E H H 124.03 2.95 19.74 23.23 91.75 52.62 -64.18 -40.36 0.18 0.00 99.82 0.01 0.01 0.12 99.47 0.38 0.00 0.00 0.00 9 Q H H 84.49 4.86 20.73 25.88 91.91 49.89 -65.61 -40.24 0.06 0.00 99.94 0.00 0.00 0.04 99.52 0.43 0.00 0.00 0.00 10 L H H 6.14 23.16 15.03 38.37 91.68 50.09 -64.01 -42.94 0.09 0.00 99.91 0.00 0.00 0.06 99.55 0.38 0.00 0.00 0.00 11 I H H 29.66 18.58 17.50 35.66 91.38 51.00 -64.79 -38.14 0.61 0.00 99.39 0.02 0.02 0.53 98.46 0.97 0.00 0.00 0.00 12 A H H 73.03 3.14 22.51 25.68 90.83 57.15 -68.71 -25.76 16.31 0.00 83.69 0.12 0.22 17.89 80.53 1.24 0.00 0.00 0.00 13 R C T 98.63 10.48 19.62 30.40 95.73 49.83 -93.57 -10.88 54.84 0.03 45.14 0.76 1.12 52.99 43.62 1.47 0.00 0.01 0.02 14 V C C 10.25 24.53 11.41 35.60 112.12 95.87 -84.73 122.40 87.04 7.78 5.17 76.06 6.87 2.30 4.77 0.88 0.00 2.49 6.63 15 T C C 78.95 5.96 22.17 28.70 101.69 173.30 -100.84 -23.38 90.48 3.56 5.97 64.56 17.05 8.64 4.73 1.52 0.00 1.85 1.64 16 S C C 51.24 7.83 22.94 30.94 113.90 22.58 -127.92 96.43 92.30 1.91 5.79 64.49 15.98 11.64 4.44 1.55 0.00 0.94 0.95 17 V H H 7.69 25.33 13.41 38.82 94.45 167.55 -69.78 -32.91 24.32 0.25 75.43 19.22 3.52 2.72 73.00 1.33 0.00 0.08 0.13 18 E H H 95.34 9.92 20.15 30.49 91.61 63.92 -60.66 -41.50 2.96 0.03 97.01 0.98 0.43 1.43 95.58 1.55 0.00 0.01 0.01 19 V H H 69.79 4.01 23.03 26.76 91.71 49.98 -64.77 -40.89 1.69 0.03 98.28 0.51 0.19 0.93 96.42 1.91 0.00 0.02 0.00 20 V H H 7.80 20.35 18.05 38.80 92.14 49.59 -64.09 -43.41 0.96 0.02 99.03 0.29 0.11 0.50 97.94 1.14 0.00 0.01 0.00 21 L H H 8.81 22.53 16.77 39.29 91.45 50.44 -63.03 -41.63 0.69 0.01 99.30 0.17 0.08 0.38 98.62 0.74 0.00 0.01 0.00 22 D H H 85.03 4.19 21.81 26.31 91.46 52.29 -64.29 -37.48 1.32 0.01 98.67 0.19 0.10 0.92 97.02 1.75 0.00 0.01 0.00 23 K H H 102.81 6.62 20.38 27.48 91.94 52.16 -68.18 -32.34 3.23 0.02 96.76 0.23 0.22 2.80 94.32 2.40 0.01 0.01 0.00 24 L H H 15.29 21.15 14.16 35.08 95.02 51.02 -81.90 -23.75 10.33 0.12 89.55 0.85 1.05 8.74 87.17 2.00 0.08 0.06 0.06 25 H H H 81.08 14.15 15.42 28.93 100.36 83.12 -63.11 71.81 47.36 3.26 49.39 12.62 6.66 28.96 44.37 3.23 0.47 1.31 2.37 26 G C T 52.76 3.22 17.35 21.33 99.28 7.15 72.53 -21.48 83.20 0.71 16.09 5.43 7.77 69.04 13.51 3.33 0.04 0.29 0.59 27 Q C T 125.90 3.30 18.47 22.30 100.46 24.12 -91.81 -24.94 88.94 0.12 10.94 3.18 11.76 74.68 7.37 2.82 0.00 0.05 0.14 28 V C T 40.87 15.62 15.89 31.05 103.35 33.86 -99.25 -31.99 87.53 1.33 11.15 6.33 23.79 57.38 8.30 2.61 0.05 0.61 0.94 29 L C C 14.06 21.70 11.28 32.44 126.58 34.09 -125.38 143.29 90.48 8.49 1.03 47.83 41.19 1.03 0.81 0.20 0.00 2.01 6.93 30 S C C 53.24 3.18 20.50 23.08 122.53 -127.33 -83.47 165.41 99.37 0.36 0.27 98.81 0.58 0.14 0.20 0.02 0.00 0.12 0.14 31 Q H H 121.16 5.19 13.92 21.04 91.32 -100.51 -58.48 -37.92 1.61 0.00 98.39 0.23 0.18 0.96 98.18 0.46 0.00 0.00 0.00 32 E H H 126.48 1.29 18.56 18.30 91.52 52.23 -64.19 -40.67 0.93 0.00 99.07 0.08 0.05 0.68 98.58 0.61 0.00 0.00 0.00 33 Q H H 43.77 12.13 15.79 28.91 91.91 48.74 -66.03 -40.31 0.43 0.00 99.57 0.05 0.02 0.28 98.97 0.67 0.00 0.00 0.00 34 Y H H 29.57 19.23 13.48 32.50 91.53 51.91 -62.58 -42.68 0.16 0.00 99.84 0.02 0.01 0.09 99.76 0.12 0.00 0.00 0.00 35 E H H 104.93 3.10 21.05 23.92 91.36 50.97 -63.55 -40.63 0.24 0.00 99.76 0.01 0.01 0.18 99.67 0.13 0.00 0.00 0.00 36 R H H 124.30 3.35 21.53 24.71 91.84 49.90 -64.98 -41.49 0.55 0.00 99.45 0.03 0.02 0.46 99.19 0.30 0.00 0.00 0.00 37 V H H 7.53 21.46 14.13 35.84 91.91 49.72 -65.33 -40.50 1.54 0.00 98.46 0.10 0.10 1.23 97.94 0.63 0.00 0.00 0.00 38 L H H 64.05 13.85 17.06 30.75 91.56 56.11 -68.90 -25.07 15.61 0.02 84.37 0.84 0.79 13.50 83.92 0.92 0.01 0.01 0.01 39 A C H 78.14 2.48 18.83 21.09 93.05 60.43 -78.89 -13.44 54.33 0.17 45.50 5.18 5.89 41.22 45.82 1.70 0.02 0.05 0.12 40 E C S 82.83 9.14 12.99 23.40 119.60 88.08 -90.48 151.69 89.51 0.64 9.85 28.09 49.84 10.75 9.27 1.30 0.00 0.18 0.58 41 N C C 119.24 2.72 18.77 22.14 110.07 -105.32 -77.06 127.86 97.55 0.65 1.80 83.13 8.63 5.89 0.96 0.64 0.00 0.27 0.48 42 T C C 30.52 20.71 9.19 28.14 119.57 -156.71 -102.96 137.05 98.06 1.36 0.58 85.33 11.58 0.74 0.36 0.17 0.00 0.32 1.49 43 R C C 131.21 2.76 21.13 23.20 117.29 -129.58 -86.69 145.77 99.16 0.16 0.68 93.18 5.72 0.19 0.68 0.05 0.00 0.03 0.15 44 P H H 73.18 10.40 13.19 24.45 91.91 -114.67 -57.42 -38.30 5.68 0.00 94.32 0.49 0.43 4.45 92.08 2.54 0.00 0.00 0.00 45 S H H 70.78 2.09 19.39 20.68 91.85 53.13 -64.47 -38.40 4.36 0.00 95.64 0.33 0.26 3.50 92.84 3.06 0.00 0.00 0.00 46 Q H H 58.30 9.72 17.68 28.46 92.37 49.87 -66.56 -39.05 1.11 0.00 98.89 0.22 0.10 0.67 96.66 2.35 0.00 0.00 0.00 47 M H H 13.41 21.91 14.32 36.14 91.68 52.72 -62.91 -42.47 0.71 0.00 99.29 0.15 0.06 0.42 98.23 1.14 0.00 0.00 0.00 48 R H H 107.93 7.90 21.30 29.56 91.56 51.61 -63.19 -40.71 0.54 0.00 99.45 0.05 0.02 0.39 98.08 1.44 0.00 0.00 0.00 49 K H H 105.24 4.10 23.69 27.74 91.73 50.52 -64.58 -41.16 0.62 0.00 99.38 0.04 0.02 0.48 97.09 2.37 0.00 0.00 0.00 50 L H H 9.30 21.66 17.92 39.65 91.84 50.68 -63.84 -42.68 0.73 0.00 99.27 0.04 0.02 0.55 96.16 3.23 0.00 0.00 0.00 51 F H H 34.81 19.26 18.94 37.53 91.96 51.18 -65.18 -37.35 2.34 0.00 97.66 0.09 0.08 1.98 91.78 6.06 0.00 0.00 0.00 52 S H H 67.19 4.12 22.95 27.30 91.57 55.44 -67.49 -27.84 20.46 0.01 79.53 0.35 0.48 20.30 71.90 6.96 0.01 0.00 0.01 53 L H H 51.11 12.29 18.55 31.42 93.56 53.97 -76.17 -20.66 42.92 0.06 57.02 1.80 2.82 37.73 48.57 8.96 0.03 0.02 0.07 54 S H G 13.82 22.33 12.58 33.84 100.84 77.89 -75.35 -9.19 45.31 0.93 53.76 22.81 10.05 12.67 16.45 37.00 0.01 0.43 0.58 55 Q C G 121.08 4.63 20.07 25.64 95.80 92.39 -70.99 -18.53 51.08 0.55 48.37 10.74 7.29 32.66 8.45 40.25 0.01 0.29 0.33 56 S C G 64.50 6.20 19.64 26.20 99.83 55.80 -92.53 5.22 54.55 0.51 44.95 14.81 7.36 31.48 4.87 40.95 0.00 0.27 0.28 57 W C C 47.30 21.44 10.08 30.01 114.68 119.95 -85.43 126.55 94.81 0.89 4.31 71.59 20.83 2.33 1.79 2.29 0.00 0.27 0.91 58 D C C 63.56 4.32 20.83 25.19 131.61 166.36 -117.02 174.38 98.50 0.59 0.90 91.48 6.40 0.42 0.77 0.14 0.00 0.12 0.68 59 R H H 153.33 5.17 15.95 22.89 91.53 -92.35 -60.66 -35.99 3.98 0.00 96.01 0.31 0.63 2.92 95.70 0.43 0.00 0.00 0.00 60 K H H 133.05 2.18 20.58 22.42 91.73 52.36 -64.37 -40.93 2.87 0.00 97.12 0.17 0.24 2.38 96.67 0.53 0.00 0.00 0.00 61 C H H 11.65 18.27 15.79 34.46 91.88 48.11 -65.30 -41.89 1.56 0.00 98.43 0.23 0.14 1.09 97.88 0.66 0.00 0.00 0.00 62 K H H 47.92 17.71 18.73 35.57 91.49 52.03 -62.34 -43.04 0.48 0.00 99.52 0.10 0.03 0.28 99.42 0.18 0.00 0.00 0.00 63 D H H 70.99 4.48 24.43 28.80 91.60 50.34 -64.16 -41.38 0.33 0.00 99.67 0.03 0.01 0.22 99.67 0.07 0.00 0.00 0.00 64 G H H 18.24 9.23 22.97 33.26 91.69 50.26 -64.37 -41.69 0.30 0.00 99.70 0.02 0.01 0.22 99.70 0.05 0.00 0.00 0.00 65 L H H 4.52 24.59 19.58 44.00 91.67 49.82 -64.23 -43.21 0.20 0.00 99.80 0.01 0.00 0.15 99.81 0.03 0.00 0.00 0.00 66 Y H H 45.08 16.44 22.55 38.39 91.50 50.27 -63.22 -42.38 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 67 Q H H 96.72 2.82 26.60 28.44 91.56 50.00 -63.77 -41.72 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 68 A H H 9.75 13.95 19.71 35.26 91.41 50.62 -62.89 -43.11 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 69 L H H 6.90 22.91 15.68 38.76 91.45 49.72 -64.00 -41.39 0.11 0.00 99.89 0.00 0.00 0.08 99.88 0.03 0.00 0.00 0.00 70 K H H 101.40 8.97 18.07 27.65 91.53 52.09 -64.80 -37.47 0.63 0.00 99.37 0.02 0.01 0.57 99.32 0.07 0.00 0.00 0.00 71 E H H 134.43 1.72 19.90 20.72 94.97 45.02 -72.87 -36.03 3.20 0.00 96.80 0.04 0.07 3.17 96.61 0.11 0.00 0.00 0.00 72 T H H 60.41 9.44 16.40 26.58 101.58 30.77 -95.98 -32.47 8.20 0.01 91.78 0.12 0.72 7.17 91.85 0.12 0.01 0.00 0.01 73 H C C 42.82 15.07 12.94 28.39 111.51 20.03 -134.64 65.57 99.75 0.06 0.18 92.09 7.41 0.24 0.16 0.02 0.00 0.02 0.06 74 P H H 70.80 7.79 15.84 25.49 93.28 164.37 -61.70 -36.13 3.79 0.00 96.21 0.47 0.22 2.77 94.74 1.79 0.00 0.00 0.00 75 H H H 107.18 3.79 21.39 25.34 91.77 56.17 -64.54 -38.32 1.42 0.00 98.58 0.07 0.06 1.23 97.02 1.62 0.00 0.00 0.00 76 L H H 15.88 17.74 18.14 36.23 91.76 50.30 -65.43 -41.75 0.38 0.00 99.61 0.06 0.02 0.24 98.59 1.09 0.00 0.00 0.00 77 I H H 14.46 19.60 17.19 36.93 91.57 50.18 -63.13 -42.93 0.19 0.00 99.81 0.03 0.01 0.11 99.53 0.32 0.00 0.00 0.00 78 M H H 89.80 4.25 22.75 26.95 91.70 50.68 -63.44 -41.94 0.29 0.00 99.71 0.03 0.01 0.18 99.51 0.27 0.00 0.00 0.00 79 E H H 73.01 6.55 21.09 28.45 91.82 50.33 -64.85 -41.14 0.66 0.00 99.34 0.06 0.03 0.46 99.01 0.44 0.00 0.00 0.00 80 L H H 13.20 19.74 16.13 36.04 92.24 49.62 -64.67 -41.64 1.98 0.00 98.01 0.17 0.12 1.46 97.48 0.76 0.00 0.00 0.00 81 W H H 92.91 11.63 17.47 29.48 92.42 50.07 -66.35 -37.76 9.27 0.04 90.69 1.27 0.88 6.64 90.07 1.11 0.01 0.02 0.02 82 E H H 118.17 2.59 18.18 20.73 93.44 53.04 -68.25 -33.27 28.76 0.30 70.94 7.13 3.54 17.98 69.27 1.76 0.03 0.12 0.17 83 K H H 105.98 6.74 14.72 22.53 96.50 55.59 -74.16 -25.55 45.00 0.72 54.27 14.15 8.34 23.47 50.60 2.71 0.05 0.28 0.40 84 G C H 33.64 9.98 13.10 23.67 100.44 54.89 -70.80 -31.38 62.70 1.02 36.28 24.49 11.89 27.32 31.03 4.23 0.03 0.39 0.62 85 S C C 67.04 6.15 12.94 20.35 102.67 63.14 -80.60 -8.71 72.64 1.38 25.98 33.44 16.00 24.40 17.80 6.90 0.02 0.55 0.90 86 K C C 138.04 3.67 12.28 17.46 103.25 77.70 -82.79 18.00 76.05 1.82 22.13 33.85 18.78 24.51 11.62 9.25 0.02 0.75 1.23 87 K C T 139.63 3.63 12.34 17.51 105.83 90.70 -84.37 72.49 82.15 1.77 16.08 27.49 20.86 34.96 6.50 8.30 0.01 0.81 1.07 88 G C C 47.07 5.32 13.54 20.21 108.40 -34.45 79.48 20.00 89.58 2.28 8.14 38.75 22.14 29.32 2.22 5.40 0.00 1.15 1.04 89 L C C 85.91 9.41 12.55 22.81 111.59 132.71 -90.80 122.75 90.39 5.37 4.24 61.67 22.49 6.00 1.61 2.56 0.00 2.39 3.28 90 L C C 75.42 9.77 12.40 23.33 117.22 -142.11 -91.85 134.50 95.77 3.29 0.94 74.92 19.50 1.48 0.42 0.50 0.00 1.69 1.50 91 P C C 80.97 5.98 14.08 21.50 111.12 -106.47 -67.56 144.44 94.60 1.99 3.40 80.07 7.79 6.84 0.92 2.34 0.00 1.25 0.80 92 L C C 103.90 7.53 10.59 19.32 106.01 -126.63 -83.32 86.82 92.27 2.87 4.87 60.25 15.48 16.51 1.14 3.68 0.00 1.60 1.33 93 S C C 78.46 4.03 10.85 16.50 111.27 84.47 -98.40 111.38 94.99 2.15 2.86 80.44 3.82 11.10 0.69 1.72 0.00 1.36 0.87 94 S C C 81.91 3.73 12.68 18.07 112.02 -139.22 -96.66 125.12 99.88 0.10 0.02 99.73 0.14 0.05 0.00 0.00 0.00 0.05 0.01