# 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 A C C 66.51 5.51 14.28 21.25 120.26 -145.83 -93.34 147.29 99.96 0.03 0.00 99.67 0.29 0.02 0.00 0.00 0.00 0.01 0.01 1 P C C 83.99 5.00 13.71 20.15 115.81 -90.51 -68.52 151.68 99.38 0.08 0.54 98.37 0.40 0.75 0.31 0.09 0.00 0.03 0.05 2 P C C 80.24 7.10 13.47 21.92 111.03 -98.35 -68.93 147.49 92.18 0.82 7.00 72.65 9.57 10.14 3.59 3.05 0.00 0.35 0.66 3 L C C 64.88 14.55 11.58 25.80 109.77 -109.02 -81.92 121.01 85.88 3.99 10.13 66.53 11.75 7.06 6.37 3.82 0.00 1.70 2.78 4 T C C 67.24 4.81 19.69 24.67 121.57 -152.27 -98.35 161.35 82.87 3.13 14.00 68.07 10.83 3.41 12.14 2.53 0.00 1.26 1.75 5 L H H 65.39 15.35 13.18 28.09 93.51 -106.84 -61.25 -37.23 15.92 0.33 83.75 7.70 4.69 5.37 79.50 2.41 0.03 0.13 0.16 6 E H H 125.74 2.78 19.18 22.37 92.24 54.61 -63.78 -40.25 9.16 0.08 90.76 2.67 1.56 5.13 88.30 2.24 0.02 0.04 0.05 7 G H H 22.78 6.70 18.50 26.76 92.33 49.76 -63.94 -40.88 8.77 0.14 91.10 3.55 1.47 4.26 88.11 2.45 0.01 0.07 0.07 8 I H H 11.48 21.26 16.90 38.10 92.14 50.14 -64.90 -42.96 2.81 0.05 97.14 1.43 0.41 1.08 96.52 0.52 0.00 0.02 0.02 9 K H H 64.47 16.50 20.93 36.19 91.00 51.76 -61.37 -42.53 0.82 0.01 99.17 0.33 0.09 0.34 99.13 0.11 0.00 0.00 0.00 10 D H H 74.94 4.95 25.33 30.45 91.62 49.98 -64.76 -41.03 0.33 0.00 99.67 0.12 0.03 0.15 99.66 0.04 0.00 0.00 0.00 11 R H H 67.15 13.11 24.07 36.69 91.89 49.99 -64.83 -42.05 0.12 0.00 99.88 0.03 0.01 0.06 99.89 0.02 0.00 0.00 0.00 12 V H H 2.31 25.84 21.76 47.44 91.49 49.39 -63.92 -43.75 0.05 0.00 99.95 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 13 L H H 26.12 16.93 23.47 39.95 91.12 50.28 -62.50 -42.62 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 14 Y H H 91.37 6.78 26.38 33.69 91.68 50.16 -63.71 -42.50 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 15 V H H 11.65 18.04 22.48 40.74 91.53 49.02 -63.27 -43.82 0.12 0.00 99.88 0.00 0.00 0.09 99.88 0.03 0.00 0.00 0.00 16 L H H 6.02 22.17 19.21 41.62 91.57 49.47 -63.62 -42.42 0.35 0.00 99.65 0.02 0.02 0.26 99.53 0.16 0.00 0.00 0.00 17 K H H 75.53 9.78 20.26 30.57 91.68 51.17 -64.02 -40.47 2.47 0.01 97.52 0.12 0.11 2.19 96.87 0.69 0.00 0.00 0.00 18 L H H 72.16 7.72 19.64 27.93 92.73 49.13 -66.85 -40.15 7.36 0.02 92.62 0.30 0.35 6.74 91.72 0.87 0.02 0.01 0.01 19 Y H H 72.11 14.12 16.85 30.81 97.06 40.52 -79.14 -36.65 24.89 0.13 74.99 1.18 2.45 21.39 73.25 1.48 0.11 0.04 0.09 20 D C T 52.56 11.62 14.61 26.93 101.34 25.93 -105.32 0.66 68.02 0.18 31.80 2.69 9.11 54.20 31.90 1.84 0.03 0.06 0.18 21 K C T 163.25 1.65 19.02 20.41 94.35 -123.72 57.64 36.26 99.22 0.05 0.72 26.71 8.18 64.50 0.34 0.23 0.00 0.03 0.03 22 I C C 34.71 15.89 9.58 25.63 120.56 150.48 -95.40 141.48 99.50 0.42 0.09 88.62 10.57 0.15 0.05 0.02 0.00 0.09 0.50 23 D C C 83.50 2.95 21.60 23.85 107.72 -115.97 -80.74 118.73 99.91 0.06 0.03 99.65 0.25 0.04 0.01 0.01 0.00 0.02 0.03 24 P H G 41.86 18.89 10.13 28.33 91.57 -150.42 -61.30 -28.33 16.13 0.07 83.79 1.36 1.17 10.87 1.08 85.48 0.00 0.05 0.01 25 E H G 147.26 1.86 18.31 20.53 90.39 64.23 -69.75 -19.52 16.00 0.05 83.94 0.48 0.93 12.48 0.98 85.10 0.00 0.03 0.00 26 K H G 131.64 3.01 18.67 21.97 95.74 51.63 -93.47 -4.80 15.23 0.17 84.60 1.90 1.87 9.30 1.21 85.61 0.00 0.10 0.02 27 L C C 14.71 23.48 8.57 30.83 114.45 103.87 -81.07 131.09 94.42 2.79 2.78 77.85 14.92 1.11 1.22 1.33 0.00 0.77 2.80 28 S C C 48.21 4.50 24.36 28.69 135.34 166.36 -133.73 166.74 92.73 6.57 0.70 81.61 8.15 0.60 0.38 0.25 0.00 1.37 7.64 29 V C T 60.59 16.49 13.96 30.05 91.23 -96.57 -63.12 -26.48 98.05 0.45 1.50 1.12 5.96 91.23 0.28 0.92 0.00 0.23 0.25 30 N C T 120.26 1.96 20.09 21.72 94.42 53.52 -92.55 1.57 98.73 0.12 1.14 1.86 4.68 92.33 0.26 0.74 0.00 0.08 0.05 31 S C C 20.49 15.60 12.28 28.84 114.61 119.04 -70.50 141.21 95.51 1.35 3.14 68.74 24.59 2.07 2.06 0.91 0.00 0.35 1.28 32 H C C 83.14 7.44 21.91 30.01 101.97 -135.42 -87.81 44.80 53.67 17.54 28.79 34.47 11.28 5.01 26.33 1.46 0.02 2.27 19.15 33 F H H 13.53 21.83 14.85 37.00 93.94 100.48 -65.29 -37.39 17.39 0.52 82.09 3.96 3.33 11.68 74.93 5.08 0.43 0.25 0.32 34 M H H 44.47 16.24 15.05 31.01 92.62 53.60 -65.19 -40.13 11.32 0.32 88.36 1.70 1.82 8.51 80.75 6.46 0.41 0.16 0.18 35 K H H 151.03 1.49 18.96 19.80 94.04 45.43 -69.32 -39.41 10.50 0.21 89.29 1.16 1.46 8.11 79.98 8.77 0.29 0.11 0.12 36 D H H 89.86 5.08 16.81 22.79 95.13 43.56 -75.61 -33.21 19.09 0.17 80.74 1.19 2.36 15.86 73.07 7.01 0.32 0.07 0.13 37 L H H 38.15 16.56 12.70 29.07 97.12 35.90 -94.91 -8.85 45.77 0.52 53.71 2.94 9.84 33.60 48.20 4.45 0.34 0.17 0.46 38 G C C 52.43 2.17 21.56 23.00 95.57 -116.96 74.64 21.17 99.28 0.14 0.58 50.38 5.77 43.26 0.20 0.24 0.00 0.08 0.07 39 L C C 23.30 21.83 8.26 28.40 117.66 156.30 -83.47 144.15 98.23 0.79 0.98 92.52 4.51 1.21 0.51 0.30 0.00 0.27 0.68 40 D C C 83.83 2.91 20.28 22.56 122.24 -133.20 -87.47 163.58 98.53 0.60 0.87 93.85 3.74 1.00 0.52 0.21 0.00 0.20 0.48 41 S H H 71.36 6.58 14.66 22.63 93.70 -96.68 -60.21 -39.23 20.08 0.26 79.66 4.65 6.57 10.31 74.41 3.70 0.09 0.09 0.18 42 L H H 107.73 2.57 18.70 21.09 92.37 51.96 -65.14 -40.09 11.01 0.05 88.94 1.05 1.31 8.34 84.62 4.60 0.04 0.02 0.03 43 D H H 43.68 12.37 17.33 30.19 92.38 50.68 -66.64 -39.23 8.00 0.08 91.92 2.16 0.91 4.77 87.40 4.66 0.02 0.05 0.03 44 Q H H 23.35 20.12 15.79 35.46 91.35 52.90 -63.19 -42.17 2.58 0.03 97.39 0.80 0.26 1.42 95.99 1.51 0.00 0.01 0.01 45 V H H 65.07 7.14 22.12 29.74 91.70 50.92 -64.03 -41.99 0.36 0.00 99.64 0.13 0.03 0.13 99.68 0.04 0.00 0.00 0.00 46 E H H 93.63 4.86 24.20 28.98 91.60 50.44 -64.51 -41.25 0.07 0.00 99.93 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 47 I H H 9.33 21.73 19.61 41.16 91.65 49.46 -64.02 -43.35 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 48 I H H 21.15 19.75 20.66 39.77 91.21 50.28 -62.34 -42.79 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 49 M H H 89.34 3.90 24.83 28.32 91.52 50.04 -63.80 -41.81 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 50 A H H 23.81 8.62 20.98 31.29 91.39 50.29 -63.89 -42.29 0.96 0.00 99.04 0.02 0.03 0.94 98.97 0.05 0.00 0.00 0.00 51 M H H 7.58 22.09 15.31 37.76 91.80 49.89 -64.48 -42.51 1.82 0.01 98.18 0.13 0.19 1.48 98.02 0.17 0.01 0.00 0.00 52 E H H 72.07 11.50 16.68 28.57 92.14 50.43 -64.06 -41.90 0.82 0.00 99.18 0.09 0.07 0.58 98.98 0.27 0.00 0.00 0.00 53 D H H 113.41 1.09 19.14 18.50 93.73 44.77 -70.46 -39.09 1.66 0.00 98.34 0.08 0.09 1.42 97.95 0.46 0.00 0.00 0.00 54 E H H 99.76 6.90 16.44 24.21 98.20 38.59 -80.50 -38.19 5.37 0.01 94.61 0.14 0.32 4.90 94.13 0.48 0.01 0.00 0.01 55 F H H 52.02 14.59 12.66 27.57 100.86 25.84 -106.17 -8.38 15.33 0.10 84.58 1.16 3.27 11.02 83.93 0.49 0.05 0.02 0.07 56 G C C 56.43 1.66 19.11 20.07 95.79 -120.44 74.09 20.82 99.53 0.22 0.24 62.76 14.23 22.58 0.07 0.15 0.00 0.12 0.09 57 F C C 54.32 15.35 10.30 25.65 122.11 138.50 -102.59 145.66 96.95 2.86 0.19 91.75 4.93 0.49 0.07 0.10 0.00 1.66 1.00 58 E C C 139.03 2.16 20.98 23.20 115.04 -140.20 -99.72 128.03 95.21 4.66 0.13 93.89 1.71 0.23 0.05 0.05 0.00 2.26 1.81 59 I C C 25.10 21.94 9.59 30.41 116.33 -152.35 -100.33 128.27 98.72 1.15 0.14 96.99 1.91 0.12 0.07 0.03 0.00 0.63 0.25 60 P C C 61.12 5.06 17.29 23.51 113.62 -114.78 -68.03 149.09 96.95 0.45 2.60 93.94 1.91 1.71 1.07 0.96 0.00 0.22 0.18 61 D C T 105.39 5.22 13.62 20.41 94.65 -111.84 -66.83 -24.87 56.32 0.50 43.18 15.67 15.86 24.69 19.22 23.90 0.02 0.19 0.45 62 I C T 104.48 3.79 15.04 19.75 97.85 67.16 -74.72 -24.42 50.65 0.53 48.82 11.64 11.50 26.63 22.95 26.58 0.05 0.23 0.42 63 D H G 60.39 8.61 16.01 25.61 97.26 54.00 -79.35 -12.40 45.75 0.56 53.69 23.39 6.45 15.26 25.72 28.58 0.01 0.27 0.34 64 A H G 15.85 20.69 11.17 30.99 93.37 81.82 -63.93 -32.47 22.82 0.38 76.81 8.61 3.42 10.34 26.89 50.39 0.00 0.21 0.14 65 E H G 122.62 5.02 18.72 25.00 91.59 63.68 -67.62 -23.18 27.06 0.22 72.71 3.82 3.47 18.29 19.56 54.62 0.01 0.12 0.10 66 K H G 123.57 4.45 20.12 25.03 93.35 59.53 -81.38 -13.37 32.57 0.28 67.15 5.19 4.75 21.56 12.61 55.56 0.01 0.15 0.16 67 L C C 18.59 21.29 12.46 33.44 106.51 85.83 -90.09 98.43 88.15 1.61 10.24 74.25 9.31 4.59 4.50 5.37 0.00 0.62 1.37 68 M C C 85.34 9.51 22.11 31.97 99.39 154.84 -98.46 -13.53 97.59 1.50 0.90 71.26 24.76 1.30 0.44 0.37 0.00 0.40 1.48 69 C C S 35.91 8.89 23.76 33.77 133.75 43.81 -131.70 155.10 93.84 5.25 0.91 12.14 81.08 0.16 0.79 0.03 0.00 0.32 5.49 70 P H H 15.12 22.43 15.87 38.38 91.39 -116.25 -58.46 -37.82 2.59 0.00 97.40 0.15 0.28 2.21 96.55 0.81 0.01 0.00 0.00 71 Q H H 94.83 7.05 22.45 30.14 91.56 55.64 -62.95 -40.16 1.20 0.00 98.79 0.09 0.07 0.99 98.07 0.77 0.00 0.00 0.00 72 E H H 77.65 6.63 22.87 29.92 91.63 49.81 -65.85 -39.98 0.30 0.00 99.69 0.08 0.02 0.18 98.98 0.73 0.00 0.00 0.00 73 I H H 4.45 24.56 17.29 42.05 91.65 50.39 -63.91 -43.74 0.14 0.00 99.86 0.03 0.01 0.08 99.75 0.13 0.00 0.00 0.00 74 V H H 23.53 17.11 20.03 37.00 91.37 50.25 -63.15 -42.49 0.14 0.01 99.85 0.02 0.01 0.08 99.74 0.14 0.00 0.01 0.00 75 D H H 84.86 2.66 24.25 25.94 91.59 50.17 -64.28 -41.30 0.34 0.00 99.66 0.03 0.01 0.24 99.53 0.19 0.00 0.00 0.00 76 Y H H 48.66 11.72 19.25 32.04 91.98 49.58 -65.09 -42.22 0.94 0.00 99.06 0.07 0.04 0.72 98.84 0.33 0.00 0.00 0.00 77 I H H 12.67 21.36 15.66 36.84 92.60 48.36 -66.52 -39.45 3.57 0.02 96.40 0.47 0.29 2.49 96.23 0.50 0.00 0.01 0.01 78 A H H 47.64 9.09 16.75 26.81 92.29 55.92 -66.40 -31.35 21.72 0.10 78.18 2.88 2.12 15.86 78.05 0.97 0.02 0.04 0.06 79 D C H 101.62 2.38 17.74 19.90 95.58 53.33 -82.54 -6.01 54.41 0.36 45.22 11.49 6.86 34.58 44.86 1.85 0.02 0.13 0.20 80 K C H 84.09 12.11 10.77 23.02 104.41 97.37 -81.63 41.96 62.19 1.06 36.76 30.58 13.75 18.30 31.72 4.62 0.02 0.40 0.61 81 K C H 132.49 4.32 13.70 19.50 99.94 138.68 -76.71 -24.04 61.28 1.25 37.47 25.42 14.80 21.95 26.48 10.05 0.03 0.58 0.68 82 D C C 93.69 4.41 13.19 18.96 101.36 51.62 -82.59 20.71 64.66 1.77 33.57 33.10 10.86 20.99 21.63 11.65 0.01 0.92 0.84 83 V C C 66.81 10.35 10.45 21.48 100.47 107.23 -81.29 -21.22 65.53 3.52 30.96 35.09 13.65 17.56 19.97 10.32 0.04 1.87 1.50 84 Y C C 118.43 8.22 9.57 18.85 107.11 58.47 -95.69 44.56 75.14 2.84 22.02 57.10 3.12 15.56 15.80 5.38 0.00 1.69 1.35 85 E C C 136.56 2.94 13.90 18.19 107.95 114.88 -86.43 99.43 99.85 0.07 0.08 99.70 0.10 0.10 0.04 0.00 0.00 0.04 0.01