# 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 D C C 98.77 4.95 13.88 20.16 104.95 -150.88 -86.43 74.06 99.94 0.03 0.03 99.76 0.11 0.10 0.01 0.00 0.00 0.01 0.01 1 D C C 102.11 4.54 12.06 18.27 102.45 127.88 -87.81 9.59 95.04 0.43 4.53 76.34 3.03 16.55 1.74 1.88 0.00 0.23 0.24 2 H C C 121.57 5.50 12.18 19.30 114.06 104.82 -92.01 127.07 92.08 1.45 6.46 50.86 20.17 21.49 2.72 3.21 0.00 0.65 0.90 3 L C C 45.54 15.44 10.21 25.37 116.97 -131.08 -92.29 136.08 93.69 1.82 4.48 72.55 18.30 2.62 3.15 1.27 0.00 0.67 1.44 4 S C C 56.58 3.35 20.56 23.36 119.29 -127.64 -79.59 160.10 95.18 0.98 3.84 91.86 2.51 0.87 3.47 0.37 0.00 0.31 0.61 5 R H H 106.62 14.51 12.97 27.01 92.02 -109.42 -58.72 -38.61 3.07 0.01 96.92 0.78 0.54 1.50 96.77 0.40 0.00 0.00 0.00 6 E H H 126.74 2.72 18.74 22.06 91.85 53.00 -63.87 -40.53 1.70 0.01 98.29 0.30 0.18 1.03 98.07 0.42 0.00 0.00 0.00 7 A H H 43.98 4.99 19.51 25.40 91.93 48.94 -65.07 -40.95 0.98 0.01 99.01 0.26 0.09 0.52 98.66 0.46 0.00 0.00 0.00 8 V H H 8.26 20.89 16.50 37.66 91.75 49.19 -64.10 -43.78 0.56 0.00 99.43 0.15 0.05 0.27 99.41 0.12 0.00 0.00 0.00 9 V H H 21.67 18.00 19.47 37.25 91.26 50.32 -62.62 -42.98 0.32 0.00 99.68 0.07 0.02 0.15 99.72 0.04 0.00 0.00 0.00 10 D H H 80.95 3.64 25.24 28.65 91.55 50.17 -64.09 -41.33 0.16 0.00 99.84 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 11 R H H 74.18 10.91 23.67 34.59 91.80 49.42 -64.57 -42.13 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 12 V H H 1.96 26.28 20.48 46.89 91.44 49.07 -64.01 -43.98 0.17 0.00 99.82 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 13 L H H 25.46 17.53 21.87 38.98 91.22 50.06 -62.76 -41.78 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 14 D H H 80.06 3.27 26.52 29.22 91.70 50.74 -64.05 -41.39 0.46 0.00 99.53 0.04 0.02 0.30 99.54 0.09 0.00 0.00 0.00 15 V H H 16.54 16.05 21.41 37.83 92.03 49.17 -64.55 -43.36 0.83 0.00 99.16 0.04 0.04 0.68 98.90 0.33 0.00 0.00 0.00 16 V H H 3.03 25.71 16.71 42.76 91.65 49.26 -65.77 -38.26 1.51 0.01 98.49 0.05 0.09 1.34 97.61 0.89 0.01 0.00 0.00 17 K H H 100.85 10.17 19.64 30.14 90.83 59.13 -66.24 -24.99 25.64 0.02 74.33 0.38 0.50 25.89 71.56 1.62 0.01 0.01 0.02 18 S C T 73.24 3.91 20.97 25.22 92.93 58.68 -85.39 -7.25 78.42 0.03 21.55 0.97 1.45 76.61 19.53 1.40 0.00 0.01 0.03 19 F C S 24.70 20.91 8.52 28.55 115.15 101.43 -81.38 132.01 99.09 0.65 0.27 22.23 76.10 0.46 0.20 0.04 0.00 0.09 0.88 20 P C T 108.86 1.94 18.44 20.14 93.95 -118.45 -64.11 -21.90 99.52 0.04 0.44 0.37 4.12 95.10 0.02 0.34 0.00 0.02 0.03 21 K C T 128.19 5.93 16.95 23.94 95.07 48.86 -79.09 -0.82 99.79 0.02 0.18 0.58 3.49 95.71 0.01 0.18 0.00 0.01 0.01 22 V C S 15.60 22.33 9.16 30.37 121.61 83.09 -110.38 132.03 96.21 3.69 0.10 44.05 50.64 0.31 0.04 0.05 0.00 0.53 4.39 23 D C C 78.04 3.47 23.05 25.93 108.88 -146.87 -97.89 111.51 99.88 0.10 0.01 99.61 0.29 0.03 0.00 0.00 0.00 0.03 0.04 24 P H G 53.81 17.17 10.93 27.61 91.78 -157.55 -62.74 -25.19 11.19 0.07 88.74 1.09 0.79 6.63 0.42 91.00 0.00 0.05 0.00 25 S H G 91.37 1.44 18.37 19.58 90.18 64.42 -70.32 -17.59 11.52 0.04 88.44 0.33 0.57 8.21 0.30 90.57 0.00 0.02 0.00 26 K H G 123.39 4.77 18.39 23.95 96.09 52.59 -94.08 -5.23 12.67 0.09 87.24 1.17 1.21 7.01 0.36 90.19 0.00 0.05 0.00 27 V C C 11.38 24.05 9.33 32.49 118.86 93.49 -98.28 132.74 96.40 2.93 0.67 67.05 27.93 0.51 0.23 0.41 0.00 0.51 3.38 28 T C C 59.49 4.88 24.94 29.66 131.57 -168.60 -128.39 158.06 98.61 1.35 0.04 95.22 3.18 0.08 0.01 0.02 0.00 0.35 1.15 29 P C T 47.92 17.88 14.20 31.59 91.15 -106.41 -62.98 -23.91 99.09 0.28 0.62 0.82 7.94 90.45 0.05 0.49 0.00 0.18 0.07 30 E C T 137.54 2.43 21.12 23.60 94.01 57.83 -92.02 2.26 97.68 1.69 0.63 1.99 4.18 91.53 0.06 0.52 0.00 1.65 0.06 31 V C C 28.34 15.21 13.83 30.27 115.17 120.17 -71.32 137.12 94.10 5.49 0.42 70.39 22.96 0.53 0.14 0.24 0.00 3.73 2.00 32 H C C 69.53 8.45 22.76 31.83 112.87 -135.73 -93.05 130.91 66.53 32.98 0.49 60.13 1.99 0.21 0.35 0.08 0.00 3.92 33.32 33 F C T 9.81 24.68 13.50 38.57 93.41 -140.02 -63.77 -36.86 69.14 7.28 23.59 7.56 12.82 46.34 12.65 8.30 2.27 2.27 7.78 34 Q C T 78.90 12.09 17.34 29.23 93.28 53.53 -68.03 -40.01 65.08 7.06 27.86 2.01 7.81 53.22 15.36 8.52 3.23 1.41 8.44 35 N C T 120.33 1.46 19.60 19.97 97.78 35.09 -81.25 -36.86 67.52 0.72 31.76 0.72 5.05 62.95 17.02 11.56 1.31 0.27 1.13 36 D C T 71.09 8.64 16.80 26.12 102.69 30.35 -94.52 -35.08 77.21 0.36 22.43 0.62 5.02 73.24 12.73 7.44 0.23 0.13 0.57 37 L C T 29.64 18.44 13.91 31.83 100.97 23.73 -104.50 -11.45 78.30 3.27 18.44 2.31 13.51 61.95 11.88 4.63 0.62 0.78 4.31 38 G C C 39.41 5.28 20.70 26.70 97.72 -115.78 77.18 17.82 93.74 4.44 1.82 64.91 14.64 13.80 0.57 1.16 0.00 1.46 3.46 39 L C C 32.92 20.24 11.57 30.61 114.34 153.31 -79.99 142.06 93.50 2.31 4.18 47.23 30.07 16.17 1.33 2.49 0.00 0.79 1.91 40 D C C 84.74 5.33 20.26 25.76 114.70 -114.72 -88.15 139.42 94.75 1.23 4.01 62.83 19.64 12.34 1.91 1.70 0.00 0.38 1.19 41 S H H 56.97 9.99 16.12 26.36 101.50 -111.03 -66.21 -54.24 21.56 0.22 78.22 3.54 10.09 8.92 75.43 1.71 0.09 0.06 0.16 42 L H H 99.32 4.91 20.03 25.26 93.67 28.61 -66.11 -38.45 7.79 0.04 92.17 0.70 1.22 6.05 90.59 1.38 0.03 0.01 0.02 43 D H H 42.65 13.20 19.23 32.53 92.51 50.58 -66.74 -39.52 4.67 0.05 95.28 1.36 0.61 2.73 93.81 1.44 0.01 0.03 0.01 44 T H H 8.99 22.05 17.16 38.95 91.57 51.89 -63.48 -42.48 1.85 0.02 98.13 0.53 0.19 1.04 97.74 0.48 0.00 0.01 0.00 45 V H H 51.53 10.99 22.94 34.04 91.58 51.40 -64.35 -41.93 0.57 0.00 99.42 0.14 0.04 0.27 99.49 0.06 0.00 0.00 0.00 46 E H H 88.75 6.10 25.77 32.14 91.65 50.50 -64.18 -41.73 0.10 0.00 99.90 0.02 0.00 0.05 99.91 0.02 0.00 0.00 0.00 47 I H H 6.69 22.92 21.57 44.08 91.43 49.47 -64.24 -43.61 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 48 V H H 7.70 23.06 21.67 44.10 91.10 50.15 -62.84 -43.27 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 79.20 6.16 25.68 32.19 91.57 50.18 -63.90 -41.86 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 50 A H H 20.04 9.72 22.37 33.64 91.24 50.54 -63.89 -42.29 0.15 0.00 99.85 0.00 0.00 0.11 99.87 0.01 0.00 0.00 0.00 51 I H H 4.60 23.29 17.15 40.88 92.04 49.38 -64.47 -42.86 0.15 0.00 99.85 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 52 E H H 50.64 13.54 17.27 31.16 91.95 50.76 -63.43 -42.53 0.13 0.00 99.87 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 53 E H H 131.98 1.56 20.43 20.74 92.97 46.98 -66.79 -40.84 0.42 0.00 99.58 0.02 0.01 0.34 99.46 0.17 0.00 0.00 0.00 54 E H H 89.09 8.50 16.94 26.16 94.86 43.08 -71.97 -38.24 2.45 0.00 97.55 0.04 0.09 2.24 97.45 0.18 0.00 0.00 0.00 55 F H H 44.33 15.43 12.80 28.66 98.84 29.38 -103.63 -1.25 26.91 0.07 73.02 1.41 3.30 20.99 73.63 0.58 0.03 0.01 0.05 56 K C T 166.87 1.25 19.12 19.66 93.44 -124.59 57.61 40.29 99.50 0.08 0.42 25.21 6.07 68.35 0.17 0.13 0.00 0.05 0.03 57 L C C 36.48 16.63 10.88 27.40 123.79 144.54 -113.12 142.91 97.89 1.86 0.25 90.87 6.54 0.61 0.10 0.12 0.00 1.03 0.74 58 E C C 134.43 2.52 22.37 24.95 112.74 -139.24 -98.34 122.32 97.35 2.54 0.10 96.46 1.19 0.17 0.04 0.03 0.00 1.11 0.99 59 I C C 15.15 23.43 9.82 32.45 118.13 -167.54 -109.89 127.41 99.43 0.54 0.03 98.08 1.48 0.03 0.01 0.01 0.00 0.21 0.17 60 P C C 58.48 4.21 19.93 24.62 114.34 -112.26 -66.20 148.23 99.43 0.16 0.41 98.99 0.42 0.24 0.17 0.07 0.00 0.05 0.07 61 D H H 94.58 7.93 13.07 22.41 92.16 -112.82 -59.22 -35.46 30.07 0.14 69.79 3.48 4.82 19.69 41.70 30.09 0.04 0.05 0.12 62 K H H 152.82 1.27 17.75 18.19 91.93 57.79 -67.54 -26.29 26.18 0.10 73.73 1.76 2.48 19.74 43.09 32.78 0.05 0.04 0.07 63 E H H 61.60 10.74 15.60 27.31 94.88 51.20 -82.47 -21.71 21.12 0.14 78.74 3.37 2.32 13.32 45.72 35.09 0.03 0.07 0.07 64 A H G 7.07 23.52 10.75 33.63 91.50 77.02 -62.67 -35.57 17.46 0.15 82.39 3.19 1.98 10.80 39.88 44.00 0.02 0.08 0.07 65 D H G 97.67 4.83 19.85 25.86 91.06 61.04 -70.47 -18.43 35.49 0.11 64.41 1.72 2.54 30.10 19.80 45.66 0.02 0.05 0.09 66 K H G 130.37 3.48 21.19 24.76 94.04 58.55 -85.68 -11.26 43.66 0.18 56.16 3.83 4.54 34.49 12.62 44.24 0.02 0.09 0.16 67 I C C 14.87 22.69 10.83 33.14 111.54 85.75 -91.96 115.42 96.15 0.96 2.89 86.73 7.61 1.69 1.87 0.82 0.00 0.27 1.01 68 D C C 91.33 5.53 23.02 29.53 101.01 166.86 -106.63 -8.95 98.87 0.93 0.19 78.05 20.24 0.54 0.10 0.08 0.00 0.30 0.71 69 S C S 29.87 9.02 24.62 34.55 138.78 31.17 -142.25 161.48 59.72 39.20 1.08 9.21 44.50 0.18 0.79 0.04 0.00 1.33 43.96 70 C H H 7.93 24.29 16.26 40.89 91.10 -109.18 -60.35 -37.55 1.65 0.00 98.35 0.09 0.21 1.32 97.96 0.41 0.00 0.00 0.00 71 S H H 56.10 7.84 24.04 32.38 91.37 56.13 -62.32 -41.61 0.82 0.00 99.18 0.04 0.04 0.67 98.75 0.49 0.00 0.00 0.00 72 L H H 60.42 6.70 24.31 31.60 91.56 48.92 -65.83 -40.21 0.17 0.00 99.82 0.02 0.01 0.12 99.41 0.45 0.00 0.00 0.00 73 A H H 1.82 25.33 17.73 43.56 91.56 52.54 -63.36 -43.82 0.07 0.00 99.93 0.00 0.00 0.04 99.90 0.05 0.00 0.00 0.00 74 I H H 21.48 18.73 21.16 39.45 91.15 50.21 -63.11 -42.93 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 75 E H H 104.80 2.89 25.48 27.44 91.52 50.64 -63.89 -41.78 0.06 0.00 99.94 0.00 0.00 0.05 99.91 0.04 0.00 0.00 0.00 76 Y H H 45.47 12.40 19.87 33.18 91.84 50.01 -64.39 -42.36 0.12 0.00 99.88 0.00 0.00 0.10 99.78 0.11 0.00 0.00 0.00 77 V H H 6.40 24.07 15.32 39.30 91.99 49.31 -64.96 -41.09 0.58 0.00 99.42 0.02 0.02 0.49 99.17 0.29 0.00 0.00 0.00 78 Y H H 108.48 10.16 17.92 28.47 91.99 51.44 -68.47 -30.45 7.45 0.00 92.55 0.21 0.30 6.82 92.22 0.44 0.00 0.00 0.00 79 N H H 115.07 1.90 19.04 20.25 95.43 51.97 -86.50 -9.18 37.35 0.06 62.58 2.17 3.84 29.83 63.20 0.87 0.02 0.02 0.06 80 H C C 65.15 13.83 10.28 24.12 111.39 84.15 -97.68 112.87 89.27 0.52 10.21 41.07 40.47 7.40 8.18 2.25 0.00 0.14 0.49 81 P C C 82.98 5.87 12.93 20.43 106.49 -135.50 -68.15 131.74 82.98 0.76 16.27 43.44 10.32 29.85 6.21 9.34 0.00 0.36 0.48 82 M C C 125.36 5.18 11.18 17.98 106.74 -113.90 -83.36 66.27 84.88 0.79 14.33 53.81 3.91 28.99 6.07 6.30 0.00 0.40 0.52 83 S C C 68.07 6.55 12.47 20.38 108.86 131.09 -85.86 109.29 99.83 0.04 0.12 99.53 0.18 0.19 0.02 0.04 0.00 0.02 0.01