# 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 110.05 4.76 10.93 17.10 110.33 -139.52 -82.60 123.20 99.92 0.02 0.06 99.82 0.07 0.06 0.03 0.00 0.00 0.01 0.00 1 A C C 71.93 2.71 9.52 13.58 102.56 -130.31 -73.87 -26.07 64.17 0.57 35.26 56.66 1.06 6.50 33.20 2.05 0.00 0.22 0.30 2 W H H 189.99 1.25 9.35 11.16 95.40 51.28 -67.94 -34.22 37.43 0.51 62.06 18.52 7.00 13.52 56.49 3.94 0.02 0.21 0.29 3 A H H 69.67 2.08 9.94 13.06 94.62 55.33 -68.25 -35.31 24.09 0.29 75.63 13.21 4.05 8.01 70.13 4.32 0.01 0.13 0.13 4 T H H 75.85 2.94 10.68 14.99 94.32 53.54 -68.31 -36.94 13.03 0.18 86.78 7.82 2.35 3.86 82.59 3.22 0.01 0.09 0.08 5 T H H 81.04 2.01 12.05 14.66 93.45 52.98 -66.35 -39.84 7.53 0.15 92.32 3.65 1.26 3.18 89.02 2.73 0.02 0.09 0.06 6 F H H 127.86 1.57 12.93 14.40 92.99 50.00 -66.03 -40.95 5.33 0.13 94.55 2.11 0.88 2.70 91.72 2.44 0.03 0.07 0.05 7 Y H H 119.99 2.99 11.92 16.11 93.32 49.36 -67.15 -39.31 6.05 0.16 93.79 2.36 1.01 3.17 91.12 2.16 0.04 0.09 0.06 8 N H H 83.54 3.42 12.17 16.95 93.26 52.00 -66.85 -37.91 8.74 0.15 91.11 2.29 1.26 5.71 88.33 2.18 0.06 0.08 0.07 9 V H H 88.52 1.89 13.27 15.34 93.48 50.22 -67.38 -40.43 11.20 0.14 88.66 1.22 1.40 9.14 85.44 2.50 0.16 0.06 0.08 10 F H H 125.21 2.31 12.94 15.71 94.71 45.06 -71.34 -38.81 20.09 0.27 79.64 1.62 2.56 16.82 75.02 3.35 0.34 0.11 0.17 11 V H H 83.27 4.08 11.41 16.89 97.65 41.02 -79.79 -31.17 33.30 0.58 66.12 4.13 4.92 24.91 59.72 5.33 0.36 0.27 0.36 12 K H H 134.20 2.43 12.53 15.94 95.43 63.39 -71.90 -29.10 47.10 1.05 51.85 9.21 9.55 29.51 44.41 5.98 0.24 0.48 0.62 13 R C H 148.52 2.41 12.29 15.53 106.74 49.67 -93.95 61.92 58.97 1.56 39.46 21.94 14.40 24.22 32.62 5.20 0.09 0.62 0.92 14 N H H 88.43 4.80 10.71 17.14 104.07 95.59 -76.75 -20.23 43.91 0.87 55.22 28.26 9.29 7.05 52.13 2.50 0.01 0.31 0.45 15 S H H 75.92 2.17 12.98 15.73 94.96 52.17 -66.27 -34.00 15.32 0.16 84.52 4.94 2.79 7.89 81.89 2.32 0.02 0.07 0.08 16 A H H 60.09 2.80 13.45 16.97 93.09 52.97 -66.20 -39.87 6.70 0.10 93.20 2.36 0.92 3.32 91.86 1.45 0.01 0.06 0.03 17 F H H 102.41 4.36 13.00 18.87 92.69 51.18 -65.72 -40.45 2.17 0.03 97.80 0.86 0.26 0.92 97.22 0.73 0.00 0.01 0.00 18 V H H 82.96 3.16 14.27 18.25 92.28 50.47 -64.94 -41.32 0.82 0.01 99.17 0.27 0.07 0.37 99.03 0.26 0.00 0.00 0.00 19 A H H 62.01 2.01 15.23 17.18 92.01 50.97 -64.47 -40.89 0.58 0.00 99.42 0.12 0.04 0.32 99.33 0.19 0.00 0.00 0.00 20 T H H 73.93 2.39 15.14 17.79 92.35 49.18 -65.51 -41.51 0.60 0.00 99.40 0.08 0.04 0.39 99.34 0.15 0.00 0.00 0.00 21 I H H 88.01 3.49 14.77 19.12 92.11 49.09 -64.63 -42.33 0.62 0.00 99.37 0.07 0.04 0.44 99.35 0.10 0.00 0.00 0.00 22 L H H 92.46 2.67 15.65 18.63 92.07 49.08 -64.69 -41.87 0.75 0.00 99.25 0.08 0.05 0.53 99.23 0.09 0.00 0.00 0.00 23 A H H 59.78 1.92 16.23 17.72 91.72 50.29 -63.80 -41.97 0.44 0.00 99.56 0.05 0.02 0.28 99.57 0.07 0.00 0.00 0.00 24 S H H 56.70 2.35 16.00 18.41 92.16 50.28 -64.49 -41.20 0.36 0.00 99.64 0.03 0.02 0.23 99.66 0.06 0.00 0.00 0.00 25 A H H 50.06 3.55 14.58 19.25 91.82 50.66 -63.68 -41.40 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 26 F H H 116.71 2.41 15.73 18.22 91.93 50.09 -64.72 -41.34 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 27 V H H 89.20 1.53 16.29 16.85 91.78 50.03 -63.95 -41.93 0.26 0.00 99.74 0.03 0.01 0.17 99.75 0.05 0.00 0.00 0.00 28 F H H 118.53 1.95 15.75 17.39 92.12 49.37 -64.77 -41.33 0.31 0.00 99.69 0.03 0.01 0.21 99.68 0.07 0.00 0.00 0.00 29 D H H 72.52 3.88 14.42 19.40 92.07 50.86 -64.36 -40.61 0.50 0.00 99.50 0.04 0.02 0.36 99.49 0.08 0.00 0.00 0.00 30 M H H 100.23 2.46 15.49 18.16 91.96 50.07 -64.69 -41.22 0.71 0.00 99.29 0.05 0.04 0.55 99.25 0.11 0.00 0.00 0.00 31 T H H 78.31 1.62 16.19 16.97 91.95 50.40 -64.24 -41.54 1.15 0.00 98.84 0.13 0.08 0.80 98.84 0.15 0.00 0.00 0.00 32 F H H 115.94 2.19 15.67 17.81 92.21 49.28 -65.17 -41.35 0.85 0.00 99.15 0.14 0.07 0.53 99.08 0.17 0.00 0.00 0.00 33 E H H 93.62 3.70 14.63 19.46 92.02 50.70 -64.46 -41.23 0.76 0.00 99.23 0.13 0.05 0.47 99.21 0.14 0.00 0.00 0.00 34 T H H 76.78 2.22 16.07 18.17 91.98 50.00 -64.94 -41.10 0.93 0.00 99.07 0.10 0.06 0.66 99.02 0.16 0.00 0.00 0.00 35 A H H 60.12 1.86 16.59 17.78 92.03 49.89 -64.49 -41.27 1.11 0.00 98.89 0.12 0.07 0.77 98.86 0.18 0.00 0.00 0.00 36 I H H 84.52 2.91 15.60 19.11 91.95 49.30 -64.67 -41.37 1.30 0.00 98.69 0.17 0.10 0.87 98.65 0.20 0.00 0.00 0.00 37 D H H 70.03 3.95 14.68 19.96 91.87 50.70 -64.40 -40.61 1.39 0.00 98.61 0.17 0.10 0.93 98.57 0.22 0.00 0.00 0.00 38 N H H 86.53 2.04 15.75 17.67 91.92 50.71 -64.18 -41.28 1.76 0.00 98.24 0.16 0.13 1.31 98.12 0.28 0.00 0.00 0.00 39 F H H 114.26 1.77 15.61 16.86 91.95 49.59 -64.10 -42.29 1.38 0.00 98.61 0.13 0.12 1.06 98.42 0.27 0.00 0.00 0.00 40 W H H 120.25 3.65 13.44 18.46 92.28 48.88 -64.96 -40.71 1.11 0.00 98.88 0.14 0.11 0.78 98.60 0.37 0.00 0.00 0.00 41 D H H 72.47 4.52 12.30 18.44 92.30 51.66 -65.14 -39.02 1.84 0.01 98.16 0.20 0.13 1.37 97.62 0.67 0.00 0.00 0.00 42 R H H 166.61 1.00 14.56 14.51 93.51 47.24 -68.90 -37.82 3.71 0.01 96.28 0.21 0.23 3.17 95.48 0.90 0.01 0.00 0.00 43 I H H 115.26 1.71 13.56 15.08 96.08 41.38 -79.06 -31.74 11.81 0.02 88.16 0.46 0.88 10.58 87.07 0.97 0.03 0.01 0.02 44 N C H 73.62 5.93 9.65 17.45 101.86 39.20 -103.59 12.52 54.38 0.43 45.19 9.60 6.74 37.42 43.67 2.09 0.03 0.14 0.30 45 A C T 72.20 4.02 10.44 16.44 107.77 140.79 -63.78 124.66 69.73 0.65 29.61 10.24 6.97 51.90 18.73 11.30 0.03 0.29 0.54 46 G C T 58.55 1.51 13.82 15.35 97.83 12.91 80.93 -4.04 69.08 0.32 30.60 6.95 9.16 52.70 15.35 15.37 0.02 0.14 0.30 47 K C T 125.84 3.13 12.37 16.70 100.91 87.64 -92.65 -2.10 65.75 0.77 33.49 24.69 15.37 26.31 18.18 14.56 0.02 0.31 0.57 48 Q C H 89.99 5.22 12.09 18.69 101.44 69.65 -73.80 -25.65 54.17 1.42 44.41 32.65 12.09 10.64 37.58 5.61 0.02 0.52 0.89 49 W H H 135.14 4.75 12.12 18.41 94.10 67.67 -65.03 -37.89 10.66 0.15 89.19 4.39 1.91 5.03 82.74 5.77 0.01 0.08 0.06 50 K H H 128.39 1.75 14.76 16.44 92.58 53.78 -65.12 -39.64 6.24 0.06 93.69 1.58 0.77 3.76 87.33 6.48 0.01 0.04 0.02 51 D H H 77.46 2.38 14.05 16.94 92.57 50.61 -65.93 -39.51 7.21 0.07 92.72 1.74 0.86 4.47 85.40 7.45 0.01 0.05 0.02 52 I H H 75.77 4.14 12.71 18.48 92.91 49.66 -66.52 -40.24 7.77 0.12 92.12 2.54 1.19 4.30 88.17 3.67 0.02 0.06 0.04 53 R H H 124.66 3.18 13.42 17.78 91.87 53.19 -63.37 -40.75 3.93 0.06 96.01 1.46 0.51 1.99 92.84 3.15 0.01 0.04 0.01 54 H H H 115.78 1.77 13.87 15.63 92.01 50.85 -65.50 -39.37 4.26 0.04 95.70 1.10 0.45 2.63 91.52 4.26 0.01 0.03 0.01 55 K H H 125.72 1.88 13.55 15.63 92.28 51.16 -66.98 -39.02 5.22 0.06 94.72 1.37 0.66 3.11 90.61 4.18 0.01 0.04 0.02 56 Y H H 128.70 3.18 11.78 16.15 94.03 47.36 -70.24 -37.31 10.02 0.26 89.72 3.99 1.78 4.88 86.44 2.65 0.02 0.14 0.09 57 I H H 100.16 3.00 11.16 15.36 94.34 51.06 -70.24 -35.54 18.25 0.71 81.04 9.90 3.24 6.24 78.07 1.93 0.02 0.35 0.25 58 E H H 133.41 1.67 11.96 14.07 95.63 54.80 -71.35 -31.35 27.83 0.53 71.63 13.94 4.25 9.91 69.66 1.77 0.01 0.23 0.23 59 A H H 72.45 2.72 10.83 14.68 99.18 60.11 -74.51 -22.34 44.06 0.45 55.49 19.82 7.38 16.31 54.12 1.94 0.01 0.16 0.25 60 A C H 70.92 3.81 9.89 15.21 102.40 62.00 -78.38 0.67 65.40 0.50 34.10 27.46 13.45 23.83 32.02 2.76 0.01 0.17 0.30 61 G C C 48.83 3.20 10.51 15.13 107.47 52.99 -32.74 6.98 78.29 0.58 21.13 39.68 15.96 23.12 16.01 4.60 0.00 0.22 0.41 62 D C C 105.94 2.60 9.39 13.41 103.83 84.44 -83.87 19.15 72.62 0.70 26.68 43.17 14.97 14.83 18.15 8.10 0.00 0.27 0.50 63 D C C 106.13 2.33 8.51 12.34 104.59 95.21 -86.24 35.07 66.28 0.80 32.92 38.33 12.92 15.42 20.86 11.60 0.00 0.34 0.51 64 D C C 106.96 2.29 7.74 11.59 105.69 117.00 -84.89 38.47 61.39 0.94 37.68 36.23 11.12 14.30 22.45 14.90 0.01 0.42 0.56 65 E C C 143.83 1.79 7.42 10.67 104.11 91.83 -85.27 20.73 63.78 1.02 35.21 36.86 11.11 16.39 21.78 12.77 0.01 0.45 0.63 66 D C C 116.22 1.61 7.54 10.50 104.59 82.03 -86.46 36.59 77.16 0.54 22.30 60.26 3.09 15.77 14.03 6.23 0.00 0.26 0.36 67 D C C 112.73 2.18 9.54 13.23 107.51 97.83 -85.37 99.87 99.89 0.02 0.09 99.62 0.15 0.17 0.05 0.01 0.00 0.01 0.00