# 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 112.69 6.36 12.65 20.30 109.21 74.61 -86.25 94.75 99.86 0.06 0.08 99.79 0.07 0.07 0.04 0.00 0.00 0.02 0.01 1 A C C 72.64 4.47 11.25 17.37 107.81 -156.89 -86.69 82.64 79.60 1.94 18.46 75.29 1.24 4.40 14.59 2.65 0.00 1.11 0.73 2 A C C 71.22 4.45 11.55 17.53 108.79 -135.95 -84.21 125.69 71.83 3.41 24.77 53.86 9.34 7.84 20.57 5.18 0.00 2.11 1.09 3 I C C 79.24 10.15 9.86 20.69 108.03 -144.74 -87.55 98.57 62.62 3.93 33.45 47.75 7.65 6.87 28.42 5.65 0.01 2.46 1.20 4 Q C H 123.67 3.17 14.35 18.78 107.28 -148.70 -80.41 93.62 53.57 1.91 44.52 33.64 8.26 11.57 40.25 4.54 0.02 1.07 0.66 5 G C H 43.58 4.34 15.78 20.88 100.22 29.40 50.55 -19.32 53.75 0.85 45.40 29.82 8.90 14.78 42.15 3.58 0.01 0.40 0.37 6 I H H 56.68 12.55 12.21 25.13 95.10 60.56 -68.86 -37.75 20.80 0.38 78.81 13.55 3.66 4.64 75.72 2.10 0.01 0.17 0.15 7 E H H 110.09 5.38 16.48 23.01 92.98 59.00 -63.53 -39.98 7.11 0.10 92.80 3.57 1.08 2.56 91.58 1.12 0.00 0.05 0.03 8 G H H 35.95 3.14 17.65 21.05 92.86 50.90 -64.79 -40.61 6.14 0.09 93.76 2.89 0.85 2.50 92.63 1.04 0.01 0.05 0.03 9 V H H 51.10 8.60 16.33 26.19 92.74 50.23 -65.61 -41.86 2.82 0.06 97.13 1.30 0.36 1.14 96.62 0.54 0.00 0.03 0.01 10 I H H 56.86 10.91 15.96 27.62 92.44 49.98 -64.30 -41.85 1.27 0.02 98.71 0.52 0.15 0.53 98.54 0.25 0.00 0.01 0.00 11 S H H 58.54 3.39 18.81 22.37 92.15 50.68 -64.34 -40.48 1.29 0.01 98.70 0.46 0.12 0.58 98.62 0.21 0.00 0.00 0.00 12 Q H H 104.44 3.27 18.69 22.19 92.24 49.71 -65.74 -40.18 1.22 0.01 98.77 0.32 0.11 0.64 98.73 0.20 0.00 0.00 0.00 13 L H H 56.68 10.55 16.05 27.39 92.47 50.28 -65.59 -40.39 1.13 0.00 98.86 0.28 0.10 0.59 98.85 0.18 0.00 0.00 0.00 14 Q H H 93.42 6.78 18.05 25.53 92.18 51.11 -64.49 -39.70 1.26 0.00 98.74 0.33 0.11 0.62 98.76 0.17 0.00 0.00 0.00 15 A H H 55.92 3.49 18.03 21.84 92.33 51.37 -65.36 -40.45 1.53 0.01 98.46 0.36 0.13 0.81 98.44 0.25 0.00 0.00 0.00 16 T H H 66.08 4.91 17.90 23.48 92.85 49.46 -66.46 -39.91 2.19 0.01 97.79 0.55 0.22 1.20 97.63 0.40 0.00 0.01 0.00 17 A H H 36.17 8.80 14.95 25.13 92.76 51.39 -65.31 -40.23 3.35 0.02 96.63 0.90 0.37 1.86 96.16 0.69 0.00 0.01 0.01 18 M H H 92.11 4.99 15.87 21.85 93.09 51.01 -66.26 -38.82 6.07 0.06 93.88 1.74 0.78 3.46 92.66 1.29 0.01 0.03 0.02 19 A H H 66.32 3.05 15.04 18.74 93.39 52.73 -66.74 -36.46 11.95 0.08 87.97 2.97 1.49 7.31 86.36 1.78 0.02 0.03 0.04 20 A H H 62.43 5.43 12.68 19.33 94.32 53.23 -71.71 -28.39 25.84 0.16 74.00 6.01 3.55 16.32 71.70 2.24 0.03 0.06 0.10 21 R C H 145.01 4.35 12.65 18.29 98.39 57.95 -79.82 -10.91 53.50 0.32 46.18 10.86 9.15 33.14 43.70 2.78 0.03 0.11 0.22 22 G C T 51.70 3.29 12.47 16.99 101.38 -37.61 53.61 10.68 79.48 0.32 20.20 31.03 10.39 38.17 16.88 3.17 0.00 0.13 0.22 23 Q C C 115.34 4.40 10.77 16.81 107.35 108.23 -86.36 73.21 86.57 0.51 12.93 61.33 11.72 13.25 9.11 3.99 0.00 0.22 0.39 24 D C C 100.28 3.66 11.95 17.07 107.73 75.62 -87.48 88.16 92.17 0.46 7.36 77.84 6.83 7.63 4.63 2.55 0.00 0.23 0.29 25 T C C 80.80 6.67 10.22 18.28 105.87 116.30 -86.53 62.84 92.75 0.61 6.64 81.41 6.00 5.56 4.08 2.30 0.00 0.30 0.35 26 H C C 123.12 4.80 11.15 17.52 106.53 63.96 -84.56 78.52 93.92 0.80 5.28 81.64 7.47 4.93 3.25 1.87 0.00 0.40 0.44 27 S C C 78.66 3.79 11.69 17.06 104.14 69.48 -82.31 44.64 93.33 1.03 5.64 79.61 8.44 5.43 3.19 2.26 0.00 0.54 0.52 28 Q C C 117.78 4.81 11.09 17.54 106.04 91.89 -90.38 43.17 91.98 1.34 6.68 73.58 12.72 5.63 4.13 2.52 0.00 0.66 0.76 29 S C C 69.99 5.26 11.44 18.30 110.64 84.14 -82.26 120.95 91.30 1.41 7.29 73.48 11.10 6.77 4.33 2.86 0.00 0.78 0.67 30 T C C 89.39 5.16 11.95 18.77 110.94 -148.62 -91.22 117.52 87.32 2.73 9.94 66.56 13.91 6.53 7.25 2.96 0.00 1.47 1.32 31 V C C 77.62 7.83 11.49 20.63 112.65 -153.59 -97.42 124.95 85.37 2.82 11.81 63.63 16.50 4.45 10.69 2.02 0.00 1.40 1.30 32 S C C 61.18 4.41 15.87 20.97 114.41 -137.24 -85.02 159.85 78.94 2.14 18.92 62.86 10.37 4.15 19.02 1.69 0.00 0.87 1.03 33 F H H 94.06 10.50 14.18 25.40 93.87 -106.11 -62.88 -38.52 10.66 0.11 89.23 4.84 2.20 4.03 87.51 1.32 0.01 0.04 0.06 34 A H H 45.28 9.50 15.46 26.02 92.32 53.80 -64.08 -40.25 4.48 0.03 95.49 1.33 0.61 2.39 94.62 1.03 0.00 0.01 0.01 35 G H H 32.16 4.00 17.87 22.66 92.14 51.25 -63.97 -41.30 2.88 0.02 97.09 1.19 0.38 1.34 96.09 0.98 0.00 0.01 0.01 36 Q H H 86.04 6.06 18.61 25.36 92.34 49.79 -65.97 -40.73 0.99 0.00 99.01 0.38 0.10 0.44 98.73 0.35 0.00 0.00 0.00 37 L H H 42.14 14.13 16.22 30.70 92.16 49.86 -64.94 -41.60 0.59 0.00 99.41 0.18 0.05 0.29 99.32 0.16 0.00 0.00 0.00 38 H H H 92.99 6.86 19.72 27.25 91.74 50.83 -63.84 -41.28 0.47 0.00 99.53 0.13 0.03 0.24 99.50 0.10 0.00 0.00 0.00 39 A H H 52.56 2.97 21.38 23.75 91.65 50.34 -63.87 -41.91 0.51 0.00 99.49 0.11 0.03 0.28 99.48 0.09 0.00 0.00 0.00 40 A H H 27.82 9.74 18.42 29.63 91.75 50.14 -64.33 -41.85 0.56 0.00 99.44 0.10 0.03 0.35 99.43 0.10 0.00 0.00 0.00 41 L H H 44.77 13.01 17.47 31.04 91.73 50.65 -64.15 -41.12 0.33 0.00 99.67 0.06 0.02 0.19 99.66 0.07 0.00 0.00 0.00 42 D H H 83.69 2.89 21.80 24.12 91.65 50.84 -63.87 -41.18 0.32 0.00 99.68 0.05 0.02 0.18 99.69 0.06 0.00 0.00 0.00 43 R H H 123.56 3.47 21.22 24.54 91.79 50.08 -64.68 -41.28 0.46 0.00 99.54 0.06 0.02 0.31 99.54 0.07 0.00 0.00 0.00 44 I H H 30.83 14.41 16.54 31.75 92.06 49.77 -64.47 -42.22 0.28 0.00 99.72 0.05 0.02 0.17 99.71 0.06 0.00 0.00 0.00 45 S H H 48.98 6.54 19.81 27.18 91.61 51.19 -63.38 -41.31 0.30 0.00 99.70 0.05 0.02 0.17 99.70 0.06 0.00 0.00 0.00 46 D H H 89.88 1.96 22.23 22.52 92.01 49.42 -64.93 -40.70 0.42 0.00 99.58 0.06 0.02 0.25 99.60 0.06 0.00 0.00 0.00 47 R H H 91.47 9.35 19.08 29.00 91.98 49.77 -65.36 -40.68 0.36 0.00 99.64 0.05 0.02 0.21 99.66 0.06 0.00 0.00 0.00 48 Q H H 58.70 13.19 17.44 30.81 91.63 51.26 -63.45 -41.59 0.41 0.00 99.59 0.06 0.03 0.22 99.63 0.06 0.00 0.00 0.00 49 A H H 58.23 2.71 22.75 24.38 91.43 50.27 -63.57 -41.75 0.54 0.00 99.46 0.08 0.04 0.31 99.51 0.07 0.00 0.00 0.00 50 A H H 50.41 3.99 21.86 25.85 91.68 50.03 -64.53 -41.28 0.62 0.00 99.38 0.09 0.04 0.35 99.44 0.08 0.00 0.00 0.00 51 A H H 15.25 15.30 15.64 31.94 91.67 51.41 -63.82 -41.49 0.60 0.00 99.40 0.10 0.04 0.33 99.44 0.09 0.00 0.00 0.00 52 R H H 124.70 5.46 21.41 27.45 91.59 51.21 -63.69 -41.02 0.68 0.00 99.32 0.12 0.05 0.38 99.36 0.09 0.00 0.00 0.00 53 V H H 81.69 2.23 22.89 23.42 91.74 49.59 -64.24 -42.62 0.70 0.00 99.30 0.14 0.06 0.37 99.34 0.08 0.00 0.00 0.00 54 Q H H 54.65 9.80 18.70 29.53 92.02 49.68 -64.91 -40.99 0.49 0.00 99.51 0.09 0.03 0.26 99.54 0.08 0.00 0.00 0.00 55 A H H 23.68 12.35 16.15 29.83 91.57 51.92 -63.16 -41.65 0.71 0.00 99.29 0.11 0.04 0.40 99.30 0.15 0.00 0.00 0.00 56 E H H 107.36 2.42 20.98 22.51 91.75 50.45 -64.10 -40.80 1.22 0.00 98.78 0.14 0.08 0.81 98.65 0.31 0.00 0.00 0.00 57 K H H 98.27 3.57 17.95 21.86 92.10 49.86 -65.39 -40.32 2.72 0.01 97.27 0.38 0.24 1.85 96.48 1.02 0.00 0.00 0.00 58 F H H 61.43 11.77 12.60 25.33 92.11 51.13 -64.89 -40.30 3.91 0.02 96.07 0.54 0.30 2.82 93.13 3.18 0.01 0.01 0.00 59 T H H 87.96 4.92 14.62 20.86 91.63 51.89 -67.62 -28.37 12.02 0.04 87.94 0.77 0.81 10.32 85.34 2.69 0.03 0.02 0.03 60 L C T 122.66 1.50 13.84 15.18 94.32 53.25 -85.71 -3.05 68.05 0.06 31.90 0.80 2.69 64.28 29.50 2.65 0.01 0.02 0.06 61 G C T 58.02 1.99 12.57 15.65 99.03 -101.94 83.42 10.55 99.20 0.02 0.78 4.69 3.50 91.21 0.45 0.13 0.00 0.01 0.01 62 E C C 101.92 5.05 9.99 17.20 110.32 147.38 -86.25 119.51 99.80 0.12 0.08 94.15 5.41 0.25 0.02 0.04 0.00 0.03 0.10 63 P C T 111.82 2.11 12.79 16.13 104.33 -128.22 -66.76 103.53 96.24 0.17 3.59 23.49 12.44 60.10 0.51 3.27 0.00 0.08 0.10 64 G C T 57.16 2.22 14.48 17.36 99.58 37.32 72.95 -0.05 94.25 0.33 5.42 23.44 11.89 59.09 1.13 4.11 0.00 0.16 0.18 65 I C C 48.12 14.31 9.20 23.54 113.99 122.36 -88.26 127.17 88.98 1.36 9.67 71.21 14.83 3.00 6.06 3.34 0.00 0.51 1.06 66 A C C 56.07 3.69 19.11 22.78 116.38 -135.16 -82.79 149.89 90.42 1.43 8.16 87.49 2.23 1.38 6.53 1.02 0.00 0.49 0.85 67 L H H 80.49 11.84 12.98 25.26 93.09 -120.62 -60.30 -38.26 5.81 0.05 94.14 2.69 0.93 2.24 92.74 1.36 0.00 0.02 0.02 68 N H H 109.41 1.92 18.47 19.99 91.95 54.55 -64.72 -38.66 3.05 0.02 96.93 0.84 0.38 1.68 95.91 1.18 0.00 0.01 0.01 69 D H H 72.79 5.17 19.08 24.90 92.14 50.35 -66.21 -39.51 1.53 0.01 98.45 0.69 0.20 0.66 97.43 1.00 0.00 0.01 0.01 70 V H H 15.83 18.23 14.16 32.67 91.97 50.51 -64.33 -43.03 0.55 0.00 99.45 0.20 0.05 0.23 99.32 0.19 0.00 0.00 0.00 71 M H H 81.69 7.19 20.46 28.24 91.61 50.62 -63.40 -41.60 0.36 0.00 99.63 0.10 0.03 0.17 99.62 0.08 0.00 0.00 0.00 72 A H H 54.20 2.72 22.18 23.99 91.39 50.16 -63.64 -42.53 0.32 0.00 99.68 0.07 0.02 0.16 99.69 0.05 0.00 0.00 0.00 73 D H H 40.46 11.69 18.91 31.38 92.09 49.95 -65.04 -40.58 0.41 0.00 99.59 0.08 0.02 0.22 99.63 0.05 0.00 0.00 0.00 74 M H H 48.80 15.26 18.23 33.26 91.65 50.99 -63.67 -41.05 0.36 0.00 99.64 0.05 0.02 0.19 99.68 0.05 0.00 0.00 0.00 75 Q H H 102.14 3.24 23.51 26.25 91.59 50.68 -63.64 -41.58 0.42 0.00 99.57 0.06 0.03 0.23 99.62 0.05 0.00 0.00 0.00 76 K H H 107.73 4.16 23.06 27.28 91.71 49.30 -65.17 -40.86 0.48 0.00 99.52 0.06 0.03 0.28 99.57 0.05 0.00 0.00 0.00 77 A H H 13.08 16.54 16.60 33.95 91.69 50.88 -64.32 -41.52 0.52 0.00 99.48 0.08 0.03 0.28 99.54 0.06 0.00 0.00 0.00 78 S H H 48.14 7.81 21.87 30.10 91.76 51.87 -64.02 -41.10 0.68 0.00 99.32 0.11 0.04 0.39 99.39 0.07 0.00 0.00 0.00 79 V H H 76.29 3.22 23.38 25.83 91.64 49.93 -63.98 -42.26 0.47 0.00 99.53 0.09 0.04 0.26 99.57 0.06 0.00 0.00 0.00 80 S H H 31.15 11.57 19.75 31.99 91.93 50.75 -64.57 -41.07 0.60 0.00 99.39 0.12 0.04 0.33 99.44 0.08 0.00 0.00 0.00 81 M H H 52.94 14.38 19.01 33.18 91.95 50.50 -64.64 -40.61 0.51 0.00 99.49 0.09 0.03 0.28 99.54 0.07 0.00 0.00 0.00 82 Q H H 102.23 3.45 23.79 26.98 91.53 50.86 -63.88 -41.28 0.36 0.00 99.64 0.06 0.02 0.20 99.68 0.05 0.00 0.00 0.00 83 M H H 77.50 6.50 22.40 29.18 91.61 50.13 -64.22 -41.80 0.35 0.00 99.65 0.05 0.02 0.21 99.68 0.05 0.00 0.00 0.00 84 G H H 10.53 16.72 17.69 34.77 91.69 51.68 -63.59 -41.73 0.40 0.00 99.60 0.07 0.02 0.22 99.64 0.05 0.00 0.00 0.00 85 I H H 70.38 7.66 21.97 30.12 91.75 50.42 -64.10 -41.16 0.22 0.00 99.78 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 86 Q H H 96.65 3.01 23.74 25.93 91.75 50.49 -64.28 -41.40 0.23 0.00 99.77 0.03 0.01 0.13 99.80 0.03 0.00 0.00 0.00 87 V H H 29.66 13.70 19.42 33.70 91.70 49.34 -64.26 -42.51 0.25 0.00 99.75 0.04 0.01 0.15 99.78 0.03 0.00 0.00 0.00 88 R H H 71.19 15.29 19.58 34.16 91.41 51.13 -62.04 -42.34 0.21 0.00 99.79 0.03 0.01 0.12 99.82 0.02 0.00 0.00 0.00 89 N H H 88.07 3.45 22.95 26.05 91.58 50.15 -64.43 -40.37 0.29 0.00 99.71 0.04 0.01 0.17 99.75 0.03 0.00 0.00 0.00 90 K H H 101.45 5.61 22.37 27.91 91.76 49.82 -65.26 -40.85 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 91 L H H 30.20 16.92 18.18 35.09 92.04 49.64 -64.52 -42.66 0.24 0.00 99.76 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 92 V H H 53.31 9.04 20.72 30.40 91.50 49.62 -63.47 -42.10 0.27 0.00 99.73 0.03 0.02 0.16 99.75 0.05 0.00 0.00 0.00 93 A H H 55.35 2.55 22.69 24.12 91.29 50.33 -63.65 -41.74 0.41 0.00 99.59 0.05 0.02 0.25 99.61 0.07 0.00 0.00 0.00 94 A H H 26.12 10.27 18.52 30.07 91.80 50.71 -64.09 -42.16 0.64 0.00 99.36 0.07 0.03 0.43 99.37 0.11 0.00 0.00 0.00 95 Y H H 61.96 14.00 17.54 31.66 91.91 50.42 -63.96 -41.49 0.56 0.00 99.44 0.09 0.03 0.33 99.42 0.13 0.00 0.00 0.00 96 Q H H 99.84 3.47 20.07 23.61 91.64 51.48 -64.02 -40.57 0.65 0.00 99.35 0.12 0.04 0.37 99.29 0.18 0.00 0.00 0.00 97 E H H 102.76 3.22 18.87 21.95 92.11 50.27 -65.26 -40.39 1.47 0.00 98.53 0.23 0.10 0.96 98.31 0.40 0.00 0.00 0.00 98 V H H 41.82 11.86 13.95 26.64 92.40 50.23 -65.95 -40.45 3.06 0.01 96.92 0.48 0.24 2.05 96.49 0.73 0.00 0.00 0.00 99 M H H 88.70 7.36 13.93 22.58 92.28 53.05 -67.49 -33.23 11.65 0.04 88.31 1.88 1.05 8.23 87.53 1.26 0.01 0.02 0.02 100 S H H 82.29 1.70 14.04 15.91 94.30 56.38 -76.80 -14.38 39.82 0.20 59.98 6.59 3.54 29.22 58.46 1.96 0.02 0.07 0.13 101 M C H 105.46 5.68 9.29 16.62 103.79 78.11 -80.93 26.85 61.72 0.99 37.29 26.05 11.86 23.45 35.00 2.74 0.02 0.40 0.48 102 Q C C 133.31 2.62 10.37 14.72 107.04 98.22 -85.28 97.39 83.88 1.13 14.99 66.95 1.56 14.38 14.48 1.46 0.00 0.60 0.58 103 V C C 96.51 5.78 10.53 17.94 109.42 -154.75 -91.44 110.72 99.96 0.03 0.01 99.92 0.04 0.02 0.00 0.00 0.00 0.01 0.00