# 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 85.33 9.04 13.72 23.67 112.86 -168.27 -93.88 130.54 99.86 0.09 0.05 99.76 0.10 0.07 0.03 0.00 0.00 0.04 0.01 1 G C C 32.70 6.39 12.64 20.43 111.77 -150.54 -76.14 -130.70 77.69 1.65 20.67 70.52 1.42 4.95 20.45 1.15 0.00 0.64 0.86 2 L H H 103.78 3.56 11.56 16.39 95.42 -38.18 -67.36 -36.67 24.08 0.48 75.44 14.06 4.60 7.24 70.24 3.41 0.01 0.22 0.21 3 E H H 113.97 2.77 13.22 16.89 93.31 53.26 -66.11 -37.93 13.10 0.27 86.63 6.35 2.33 5.23 81.48 4.35 0.02 0.15 0.10 4 D H H 68.70 5.36 12.74 19.72 92.82 52.13 -67.08 -37.94 8.95 0.21 90.83 4.74 1.49 3.39 85.33 4.84 0.02 0.13 0.06 5 E H H 91.74 5.00 13.78 20.25 93.12 53.69 -65.73 -38.61 5.87 0.14 93.98 2.90 0.91 2.37 90.02 3.66 0.01 0.09 0.04 6 R H H 126.39 3.41 15.19 19.35 93.04 52.50 -66.19 -39.35 6.86 0.27 92.87 3.13 1.08 3.11 88.78 3.63 0.02 0.18 0.07 7 K H H 97.31 5.38 14.15 20.88 93.66 52.20 -67.15 -38.21 9.63 0.56 89.80 4.58 1.47 4.22 85.67 3.51 0.03 0.37 0.16 8 M H H 89.90 6.98 13.03 21.31 94.93 51.77 -69.78 -36.01 15.45 0.82 83.73 6.73 2.36 7.16 79.67 3.27 0.05 0.47 0.28 9 L H H 103.46 4.63 14.13 19.73 96.53 50.69 -74.37 -29.10 27.15 0.76 72.09 7.79 4.61 15.79 68.21 2.81 0.09 0.37 0.35 10 T C H 82.75 4.16 13.91 18.84 100.63 45.73 -90.81 -7.19 53.31 0.74 45.95 10.85 11.87 30.50 43.68 2.31 0.08 0.27 0.43 11 G C C 46.54 5.34 12.33 19.13 103.28 -119.05 77.76 13.10 94.33 0.78 4.89 36.60 25.81 32.39 2.49 1.92 0.00 0.33 0.45 12 S C C 72.16 4.56 12.16 18.19 109.35 127.61 -91.53 107.02 96.49 0.89 2.62 55.61 24.57 16.37 0.77 1.72 0.00 0.41 0.54 13 G C C 40.80 5.37 12.14 19.04 120.52 42.40 103.39 -177.64 97.69 0.82 1.48 54.62 37.31 5.81 0.52 0.85 0.00 0.32 0.58 14 D C C 91.64 3.90 12.93 18.18 113.56 -53.72 -87.26 130.90 97.31 0.37 2.32 81.91 13.62 1.68 1.73 0.59 0.00 0.12 0.33 15 P C C 81.68 6.57 10.18 18.31 99.89 -129.83 -65.99 -22.68 58.45 0.48 41.08 35.57 7.15 16.25 29.95 10.55 0.00 0.23 0.30 16 K H H 137.74 2.63 11.68 15.49 102.36 73.90 -78.67 -6.08 46.30 0.64 53.07 25.63 7.28 14.02 41.08 11.33 0.01 0.31 0.34 17 E H H 116.16 3.46 10.67 15.54 101.79 76.52 -76.80 -21.88 33.98 0.70 65.32 21.97 6.22 6.63 52.37 12.16 0.01 0.36 0.28 18 E H H 109.36 4.61 10.15 16.36 100.75 62.14 -75.91 -25.12 32.85 0.66 66.49 22.98 4.97 5.89 56.25 9.32 0.00 0.35 0.25 19 E H H 117.24 3.72 10.44 15.68 99.72 58.98 -75.02 -24.11 35.27 0.62 64.11 24.82 4.90 6.49 54.79 8.44 0.00 0.32 0.25 20 E H H 121.50 3.37 10.67 15.52 100.38 57.41 -77.36 -16.09 35.77 0.59 63.64 23.65 5.57 7.49 53.74 9.00 0.01 0.29 0.25 21 E H H 120.72 4.03 10.24 15.92 103.33 63.72 -81.54 2.72 40.35 0.72 58.93 24.77 6.69 9.58 48.07 10.20 0.01 0.36 0.33 22 E C H 125.65 3.74 10.77 16.10 106.25 57.02 -84.00 62.23 51.38 0.86 47.76 31.12 7.99 12.71 37.74 9.59 0.01 0.40 0.44 23 L C C 107.83 4.81 11.02 17.33 109.74 43.75 -86.30 115.53 66.54 1.09 32.37 43.68 9.65 13.46 25.31 6.77 0.01 0.47 0.65 24 V C C 78.57 7.17 11.10 19.92 116.45 -150.59 -97.86 133.67 81.77 1.48 16.76 55.75 19.28 5.75 15.82 1.84 0.00 0.44 1.12 25 D C C 73.47 6.51 14.00 22.07 107.85 -125.35 -89.12 109.94 94.25 0.33 5.42 84.57 7.12 1.63 5.98 0.39 0.00 0.11 0.20 26 P H H 60.03 9.61 14.42 25.65 93.89 -162.48 -64.67 -31.34 37.31 0.23 62.46 26.14 3.12 5.99 63.50 1.06 0.00 0.08 0.11 27 L H H 61.95 12.01 15.22 27.67 92.86 57.53 -65.39 -39.34 8.43 0.07 91.50 4.33 1.17 2.78 90.84 0.82 0.00 0.03 0.03 28 T H H 67.91 3.86 18.52 22.68 92.48 50.58 -65.70 -41.01 3.02 0.04 96.94 1.59 0.40 1.07 96.20 0.69 0.00 0.02 0.01 29 T H H 54.76 5.02 18.57 24.59 92.18 50.13 -65.30 -41.74 1.74 0.03 98.23 0.83 0.22 0.71 97.74 0.47 0.00 0.02 0.01 30 V H H 23.10 15.04 15.94 31.73 92.30 49.64 -64.74 -42.65 1.00 0.01 98.99 0.41 0.12 0.43 98.82 0.21 0.00 0.01 0.00 31 R H H 88.56 11.63 17.91 29.82 91.69 51.61 -63.00 -42.00 0.50 0.01 99.49 0.16 0.05 0.24 99.43 0.12 0.00 0.00 0.00 32 E H H 104.16 2.25 21.97 22.86 91.70 50.12 -64.05 -41.88 0.51 0.01 99.48 0.12 0.05 0.29 99.36 0.17 0.00 0.00 0.00 33 H H H 85.02 5.96 19.87 26.47 92.03 49.09 -65.10 -41.06 0.76 0.00 99.23 0.11 0.05 0.52 98.90 0.41 0.00 0.00 0.00 34 C H H 11.47 18.74 12.67 31.77 91.75 50.06 -65.98 -37.99 1.61 0.00 98.39 0.12 0.09 1.29 97.02 1.48 0.00 0.00 0.00 35 E H H 100.29 7.46 16.65 25.16 91.27 56.14 -67.71 -25.69 20.15 0.01 79.85 0.28 0.38 20.76 76.67 1.90 0.01 0.00 0.01 36 Q C T 134.35 1.49 18.05 18.66 93.62 55.72 -83.39 -10.82 66.62 0.02 33.36 0.81 1.50 64.67 31.27 1.72 0.00 0.01 0.02 37 L C S 44.93 13.36 8.69 22.63 115.21 96.74 -82.68 135.53 95.97 0.56 3.47 28.51 65.31 1.64 3.48 0.34 0.00 0.09 0.63 38 E H H 150.95 1.12 16.94 17.35 92.71 -136.52 -61.75 -35.77 19.73 0.04 80.23 1.19 2.36 15.83 73.07 7.45 0.05 0.02 0.03 39 K H H 110.02 6.18 16.87 24.07 92.87 53.87 -68.95 -31.58 17.76 0.03 82.22 0.70 1.11 15.90 75.77 6.45 0.03 0.01 0.02 40 C H H 11.90 19.05 11.98 31.00 96.61 48.33 -80.57 -28.87 9.43 0.03 90.53 1.15 0.73 7.11 84.17 6.80 0.02 0.01 0.01 41 V H H 67.29 5.19 19.21 25.38 91.52 63.20 -62.40 -42.15 0.93 0.00 99.07 0.30 0.08 0.38 98.95 0.29 0.00 0.00 0.00 42 K H H 113.22 2.48 22.86 24.24 91.76 50.04 -64.38 -41.29 0.44 0.00 99.56 0.08 0.02 0.25 99.54 0.12 0.00 0.00 0.00 43 A H H 12.58 15.79 16.91 33.73 91.58 50.68 -64.45 -41.79 0.13 0.00 99.87 0.02 0.00 0.07 99.87 0.04 0.00 0.00 0.00 44 R H H 87.75 12.67 19.61 32.01 91.83 51.60 -63.11 -41.69 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 45 E H H 103.64 2.31 23.65 24.45 91.45 50.10 -63.82 -42.04 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 46 R H H 94.70 8.65 21.33 30.35 91.93 49.86 -64.63 -41.51 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 47 L H H 18.72 18.58 16.63 35.32 91.84 50.36 -63.92 -41.86 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 48 E H H 99.66 3.68 23.43 26.79 91.53 50.82 -63.72 -41.22 0.17 0.00 99.83 0.01 0.00 0.13 99.83 0.02 0.00 0.00 0.00 49 L H H 77.47 3.45 22.25 25.26 91.59 49.98 -64.24 -42.03 0.46 0.00 99.54 0.02 0.02 0.35 99.52 0.09 0.00 0.00 0.00 50 C H H 13.14 16.17 16.00 33.15 91.76 50.45 -64.15 -41.99 0.81 0.00 99.19 0.09 0.05 0.54 99.13 0.19 0.00 0.00 0.00 51 D H H 58.88 9.58 18.84 29.09 91.69 51.43 -63.41 -40.68 1.93 0.01 98.07 0.27 0.15 1.30 97.86 0.41 0.00 0.00 0.00 52 N H H 100.04 1.56 21.60 21.09 92.11 50.12 -65.59 -40.18 4.55 0.01 95.44 0.50 0.37 3.45 94.69 0.97 0.01 0.01 0.01 53 R H H 90.69 7.74 16.84 25.72 92.93 49.53 -67.55 -38.32 8.28 0.05 91.67 1.26 0.88 5.89 90.74 1.18 0.01 0.02 0.02 54 V H H 38.35 14.22 12.35 26.89 94.03 50.87 -69.48 -34.74 20.65 0.40 78.95 6.09 3.57 11.51 76.96 1.43 0.05 0.15 0.22 55 S H H 78.15 2.61 15.54 18.54 95.05 55.26 -77.85 -17.95 47.56 0.88 51.57 16.51 9.02 21.81 50.14 1.69 0.04 0.31 0.47 56 S C C 65.84 3.83 11.15 16.56 105.94 78.32 -83.10 60.53 71.23 0.85 27.92 26.02 19.02 25.63 25.76 2.75 0.01 0.29 0.52 57 R C C 164.59 3.06 10.40 15.11 98.75 -135.19 -76.01 -7.84 80.68 0.72 18.61 33.01 23.44 24.51 13.51 4.75 0.00 0.27 0.52 58 S C C 73.68 3.25 10.44 15.17 101.87 78.54 -80.84 -2.96 81.90 0.68 17.43 40.88 18.13 23.05 9.77 7.38 0.00 0.27 0.52 59 Q C C 122.60 3.78 10.47 15.72 99.97 74.93 -80.16 -6.11 75.53 0.80 23.67 32.50 21.49 22.19 11.57 11.25 0.00 0.30 0.69 60 T C C 87.98 4.15 10.55 16.33 104.72 73.13 -88.26 16.81 76.30 0.88 22.81 30.14 23.18 23.72 11.23 10.66 0.00 0.35 0.71 61 E C C 141.09 2.39 13.33 16.67 102.84 71.38 -85.29 20.38 80.04 1.12 18.83 48.13 16.21 15.85 9.79 8.77 0.00 0.52 0.73 62 E C C 77.43 10.76 10.64 22.18 115.81 122.25 -87.59 137.76 87.23 1.49 11.28 69.23 13.44 4.09 9.21 2.46 0.00 0.63 0.94 63 D C C 79.55 5.02 18.29 23.90 112.02 -141.12 -90.34 137.37 87.01 3.03 9.96 80.15 3.92 2.53 9.24 1.17 0.00 1.17 1.81 64 C H H 33.72 16.91 13.07 29.58 94.90 -134.01 -66.74 -29.90 43.94 0.86 55.20 27.94 7.76 8.05 53.65 1.81 0.01 0.35 0.44 65 T H H 65.08 6.72 18.52 26.14 92.12 61.28 -63.87 -40.90 9.47 0.13 90.40 3.99 1.65 4.00 88.13 2.09 0.01 0.06 0.08 66 E H H 94.41 4.22 20.74 25.15 92.11 50.86 -65.33 -40.11 2.79 0.03 97.18 0.71 0.36 1.63 93.82 3.46 0.00 0.02 0.00 67 E H H 38.21 14.79 17.21 32.35 92.07 50.63 -65.43 -41.26 2.61 0.03 97.36 0.57 0.26 1.65 93.66 3.83 0.00 0.02 0.00 68 L H H 43.36 14.17 18.26 32.52 92.02 51.23 -64.09 -41.45 3.37 0.02 96.61 0.62 0.34 2.29 93.91 2.82 0.00 0.01 0.01 69 F H H 98.87 5.08 21.54 26.87 91.71 51.00 -64.10 -41.72 2.95 0.01 97.04 0.53 0.28 2.01 95.65 1.51 0.00 0.01 0.00 70 D H H 54.47 9.21 20.20 30.04 92.06 51.07 -65.03 -40.65 3.38 0.01 96.61 0.45 0.25 2.49 94.97 1.82 0.00 0.00 0.00 71 F H H 38.10 17.08 18.00 34.82 92.20 51.18 -64.89 -41.38 2.40 0.01 97.59 0.40 0.22 1.68 94.66 3.02 0.00 0.01 0.00 72 L H H 65.63 9.42 20.67 30.51 91.86 51.31 -65.00 -38.89 3.53 0.02 96.45 0.46 0.33 2.64 92.94 3.62 0.01 0.01 0.01 73 H H H 89.32 6.31 20.87 27.62 92.31 51.25 -67.87 -32.93 12.07 0.05 87.88 1.05 0.97 9.81 83.08 5.00 0.03 0.02 0.03 74 A H H 21.24 15.68 15.39 31.47 92.88 58.89 -67.39 -33.11 22.07 0.20 77.74 3.83 2.72 15.60 70.36 7.20 0.08 0.09 0.12 75 R H H 101.02 11.73 18.46 29.75 94.18 53.67 -72.52 -32.40 32.86 0.44 66.70 5.16 5.69 22.76 59.71 5.99 0.21 0.19 0.29 76 D C H 72.05 7.91 18.60 26.92 104.29 49.30 -92.77 44.51 53.44 0.77 45.78 20.25 12.39 21.58 40.42 4.54 0.04 0.27 0.51 77 H C H 100.68 9.94 17.92 27.95 96.38 -141.44 -65.90 -20.31 52.07 0.41 47.52 6.01 7.96 37.17 43.60 4.70 0.10 0.16 0.29 78 C C H 51.47 8.60 19.48 28.54 95.54 59.25 -71.95 -30.36 49.95 0.28 49.77 5.64 5.89 37.46 47.07 3.56 0.06 0.12 0.19 79 V H H 32.44 11.81 19.57 32.26 93.34 55.64 -66.16 -41.63 9.23 0.08 90.69 3.00 1.23 4.91 88.83 1.94 0.01 0.04 0.04 80 A H H 17.48 15.44 16.83 33.03 92.17 53.29 -62.26 -42.73 1.76 0.01 98.23 0.52 0.19 0.92 97.53 0.83 0.00 0.00 0.00 81 H H H 90.63 5.73 20.30 26.69 91.85 51.02 -64.29 -41.22 0.79 0.01 99.20 0.21 0.07 0.44 98.52 0.75 0.00 0.00 0.00 82 K H H 99.53 4.17 20.09 24.31 92.00 50.14 -64.81 -41.43 0.57 0.00 99.43 0.14 0.05 0.33 98.85 0.63 0.00 0.00 0.00 83 L H H 39.16 11.94 15.75 28.91 92.24 49.80 -64.58 -41.95 0.82 0.00 99.18 0.16 0.06 0.52 98.63 0.62 0.00 0.00 0.00 84 F H H 71.66 9.96 14.21 25.25 92.24 50.29 -64.82 -39.95 1.72 0.01 98.27 0.29 0.14 1.17 97.02 1.37 0.00 0.00 0.00 85 K H H 134.85 1.84 15.44 17.33 92.20 51.79 -66.26 -36.20 7.01 0.01 92.98 0.50 0.37 5.96 90.32 2.83 0.00 0.00 0.00 86 N H H 102.71 3.06 13.13 17.15 93.13 51.99 -72.14 -25.57 22.97 0.03 77.00 1.42 1.13 20.22 74.37 2.82 0.01 0.01 0.02 87 L H H 78.13 9.20 8.92 18.85 97.61 56.32 -84.28 -10.16 47.44 0.27 52.30 18.77 1.84 26.66 50.15 2.29 0.01 0.09 0.20 88 K C C 142.63 3.69 12.88 18.29 104.11 119.18 -71.88 79.33 99.92 0.05 0.04 99.76 0.10 0.08 0.02 0.00 0.00 0.02 0.01