# 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 G C C 51.15 3.32 11.16 16.19 119.62 138.88 -96.11 146.57 99.83 0.14 0.03 99.43 0.31 0.14 0.01 0.00 0.00 0.07 0.03 1 G C C 55.08 2.14 9.04 12.70 118.72 36.90 -142.75 171.72 95.27 2.47 2.26 86.13 3.58 5.61 0.52 1.60 0.00 1.38 1.16 2 V C C 125.84 1.39 7.42 10.12 110.66 -74.54 -88.10 122.98 91.04 4.02 4.94 56.05 18.84 15.89 0.82 4.49 0.00 2.34 1.57 3 H C C 159.41 1.22 6.85 9.28 109.44 -149.14 -91.38 117.79 89.96 4.61 5.43 51.27 22.38 16.39 0.91 4.66 0.00 2.56 1.83 4 I C C 131.87 1.95 6.49 10.18 115.84 -143.50 -101.79 127.27 90.44 5.17 4.39 57.31 25.11 8.02 0.94 3.45 0.00 2.80 2.37 5 E C C 148.94 1.31 8.38 11.01 116.90 -149.82 -99.46 131.85 94.57 4.53 0.89 70.50 22.93 1.44 0.35 0.52 0.00 2.55 1.72 6 P C C 102.59 2.98 6.81 11.86 114.02 -114.45 -72.17 141.71 91.95 4.45 3.59 77.38 8.44 6.00 1.11 2.43 0.00 2.79 1.85 7 R C C 166.91 2.01 7.76 11.44 115.17 -157.61 -104.25 131.47 85.27 9.33 5.40 66.60 10.02 7.69 1.89 3.55 0.00 4.45 5.79 8 Y C C 180.94 1.67 6.85 10.00 107.73 -141.28 -86.35 102.30 83.00 5.66 11.34 35.94 21.24 26.59 2.37 8.44 0.01 2.70 2.71 9 R C C 181.59 1.38 7.68 10.17 106.13 38.97 -91.70 49.45 88.81 2.52 8.68 31.19 30.11 27.85 1.60 6.76 0.00 1.16 1.31 10 Q C C 141.21 1.29 9.02 11.39 115.23 83.82 -102.99 129.89 91.08 3.17 5.75 50.87 30.21 9.71 1.36 4.37 0.00 1.26 2.21 11 F C C 146.57 3.44 7.12 12.68 116.32 -125.76 -88.80 137.31 98.14 1.28 0.58 79.78 17.18 1.18 0.23 0.31 0.00 0.52 0.80 12 P C C 92.53 3.13 8.98 13.99 115.19 -107.06 -70.33 150.72 98.72 0.58 0.70 92.10 5.02 1.71 0.24 0.36 0.00 0.28 0.30 13 Q C C 151.13 1.09 11.27 12.99 112.82 -107.96 -80.67 134.03 98.20 1.04 0.76 93.23 3.89 1.01 0.41 0.26 0.00 0.37 0.82 14 L C C 81.15 9.63 6.38 16.49 116.11 -126.61 -86.79 140.48 99.02 0.60 0.38 96.26 2.61 0.19 0.28 0.07 0.00 0.19 0.40 15 T C C 81.19 1.73 12.90 14.70 118.44 -119.77 -78.47 160.54 98.61 0.76 0.62 97.84 0.79 0.20 0.43 0.07 0.00 0.19 0.48 16 R H H 178.43 1.53 10.32 13.08 92.04 -107.82 -59.11 -37.32 2.33 0.01 97.66 0.47 0.37 1.28 97.42 0.46 0.00 0.00 0.00 17 S H H 80.30 0.97 12.59 12.80 92.27 54.01 -64.94 -39.02 1.25 0.00 98.75 0.17 0.11 0.81 98.36 0.55 0.00 0.00 0.00 18 Q H H 84.95 4.18 12.33 18.10 92.54 49.59 -66.53 -39.40 0.33 0.00 99.67 0.06 0.03 0.18 99.35 0.38 0.00 0.00 0.00 19 L H H 69.78 6.87 12.12 20.66 91.90 51.89 -63.84 -42.06 0.11 0.00 99.89 0.02 0.01 0.06 99.85 0.07 0.00 0.00 0.00 20 I H H 98.10 1.91 16.15 17.60 91.85 49.41 -64.26 -42.05 0.11 0.00 99.89 0.01 0.01 0.07 99.88 0.03 0.00 0.00 0.00 21 Q H H 100.33 1.85 16.92 18.04 91.68 49.68 -64.55 -41.27 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 22 A H H 37.27 6.17 13.81 22.05 91.79 50.68 -64.22 -41.61 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 23 E H H 95.03 4.76 15.94 21.72 91.80 50.47 -64.36 -41.01 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 24 F H H 125.31 1.58 17.62 17.98 92.07 49.56 -64.60 -42.22 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 25 F H H 114.08 2.30 17.14 19.17 92.07 48.90 -64.89 -41.60 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 26 S H H 44.57 5.84 14.60 22.06 92.07 50.80 -64.47 -40.88 0.28 0.00 99.72 0.02 0.01 0.22 99.72 0.03 0.00 0.00 0.00 27 A H H 55.98 2.86 16.12 19.32 91.86 51.02 -64.05 -41.43 0.24 0.00 99.76 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 28 T H H 78.18 1.71 17.02 17.75 91.92 49.95 -64.95 -41.42 0.17 0.00 99.83 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 29 M H H 90.95 3.36 15.41 19.57 92.08 50.29 -64.94 -40.91 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 30 W H H 132.00 3.64 15.10 19.66 92.03 50.39 -64.69 -41.38 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 31 F H H 118.00 1.93 16.07 17.56 91.87 50.16 -64.37 -41.45 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 32 W H H 135.05 2.42 15.72 18.33 92.01 49.83 -64.61 -41.88 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 33 I H H 75.54 4.78 14.33 20.68 91.93 50.08 -64.59 -42.21 0.07 0.00 99.93 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 34 L H H 86.13 2.82 15.51 18.88 91.77 50.42 -63.99 -41.31 0.21 0.00 99.79 0.01 0.00 0.18 99.75 0.05 0.00 0.00 0.00 35 W H H 136.95 1.95 15.88 17.51 91.84 49.99 -64.91 -41.43 0.36 0.00 99.64 0.02 0.01 0.30 99.55 0.12 0.00 0.00 0.00 36 R H H 95.26 5.06 13.42 20.17 92.16 50.76 -65.38 -39.10 0.45 0.00 99.55 0.02 0.02 0.38 99.23 0.34 0.00 0.00 0.00 37 F H H 98.81 5.55 12.18 19.48 92.49 50.91 -66.62 -37.12 0.84 0.00 99.16 0.03 0.03 0.75 98.42 0.77 0.00 0.00 0.00 38 W H H 175.14 1.62 14.28 15.71 94.55 46.36 -74.40 -36.06 2.89 0.00 97.11 0.07 0.11 2.72 96.49 0.60 0.00 0.00 0.00 39 H H H 133.48 1.71 13.60 15.25 99.41 35.51 -92.74 -28.14 11.83 0.03 88.14 0.39 1.16 10.29 87.59 0.51 0.03 0.01 0.02 40 D C C 64.37 6.21 10.89 18.90 110.91 26.07 -129.85 75.22 93.23 0.42 6.35 73.19 12.53 6.14 7.05 0.59 0.00 0.13 0.36 41 S H H 60.49 5.24 11.37 18.68 93.72 166.51 -62.94 -34.10 16.86 0.16 82.98 2.67 1.87 11.78 69.45 13.98 0.07 0.08 0.09 42 D H H 90.81 3.24 13.74 18.17 91.88 59.49 -67.08 -33.25 9.27 0.04 90.68 0.63 0.69 7.39 78.08 13.14 0.03 0.02 0.02 43 A H H 50.41 6.25 11.80 19.76 93.22 54.96 -67.71 -35.62 5.22 0.04 94.74 0.47 0.44 4.00 81.81 13.24 0.02 0.03 0.01 44 V H H 85.91 5.03 12.56 18.92 95.29 47.15 -72.81 -36.60 9.74 0.11 90.15 0.72 1.08 7.97 82.33 7.68 0.11 0.06 0.06 45 L H H 105.31 3.03 12.93 16.73 98.66 40.65 -95.83 -10.06 35.31 0.77 63.92 3.31 7.11 26.11 58.38 3.85 0.41 0.28 0.55 46 G C T 43.46 3.72 12.60 17.92 109.43 -120.27 79.82 10.59 97.95 0.72 1.33 27.56 25.29 45.31 0.43 0.74 0.00 0.37 0.30 47 H C C 134.64 3.21 11.71 16.47 111.16 39.72 -92.59 120.23 96.55 2.56 0.90 62.14 27.91 6.43 0.21 0.73 0.00 1.14 1.43 48 F C C 101.93 7.46 9.13 18.19 117.91 -159.20 -105.31 129.77 97.35 2.40 0.26 81.21 15.08 0.95 0.08 0.18 0.00 1.01 1.49 49 P C S 98.53 2.85 13.99 17.80 109.69 -122.81 -71.56 143.18 99.18 0.68 0.13 41.19 56.06 2.04 0.03 0.10 0.00 0.31 0.27 50 Y C S 141.46 6.44 11.12 19.13 114.57 -103.48 -88.51 127.69 99.19 0.74 0.06 33.46 64.81 1.03 0.01 0.05 0.00 0.30 0.34 51 P C C 57.66 10.01 9.90 21.15 115.66 -118.64 -69.56 150.28 99.22 0.72 0.06 94.37 4.64 0.20 0.02 0.03 0.00 0.26 0.48 52 D C C 87.37 2.97 15.78 19.34 108.27 -120.93 -86.34 117.30 99.56 0.40 0.05 98.70 0.83 0.06 0.01 0.01 0.00 0.11 0.28 53 P H G 63.76 12.45 8.99 21.97 92.22 -156.20 -62.92 -23.92 12.81 0.08 87.11 1.23 1.09 8.89 1.42 87.30 0.00 0.05 0.01 54 S H G 86.98 1.95 13.62 16.45 90.68 65.76 -72.00 -15.43 11.33 0.04 88.62 0.43 0.67 9.27 1.47 88.14 0.00 0.03 0.00 55 Q H G 129.94 1.75 14.93 16.61 95.66 53.26 -90.80 -10.17 10.87 0.11 89.02 1.18 1.42 7.20 1.98 88.14 0.00 0.07 0.01 56 W C C 75.93 11.78 8.49 21.05 119.38 81.03 -102.83 139.85 88.94 2.04 9.02 61.78 23.76 3.42 4.04 4.43 0.00 0.69 1.88 57 T C C 57.08 4.39 15.97 21.51 125.59 -152.17 -100.96 164.74 81.70 10.68 7.62 63.63 12.81 2.46 6.28 1.45 0.01 2.30 11.06 58 D H H 69.11 10.22 10.88 22.07 92.83 -107.07 -61.72 -35.83 38.25 5.71 56.03 8.74 14.57 17.96 41.01 8.39 2.58 1.47 5.28 59 E H H 141.66 1.37 14.48 15.80 92.49 54.23 -65.66 -39.07 36.56 0.28 63.17 1.34 3.16 31.39 42.98 20.43 0.36 0.13 0.21 60 E H H 115.86 3.81 13.44 18.41 93.83 47.34 -70.79 -35.24 36.24 0.41 63.35 1.32 2.99 31.05 41.39 22.28 0.42 0.21 0.34 61 L H H 70.41 9.02 11.37 21.62 96.16 37.84 -94.72 -6.03 41.47 0.63 57.89 2.12 5.04 33.74 37.97 19.72 0.46 0.29 0.66 62 G C T 53.16 2.14 15.98 18.31 94.98 -113.90 78.20 14.02 98.79 0.39 0.82 21.40 10.78 66.74 0.23 0.44 0.00 0.22 0.18 63 I C C 59.21 9.62 9.55 20.89 119.63 127.75 -104.29 135.42 93.04 6.58 0.38 68.24 23.42 0.97 0.16 0.20 0.00 1.99 5.02 64 L C C 86.15 4.24 14.10 19.71 114.60 -111.81 -72.01 147.26 98.40 1.33 0.28 92.68 5.16 0.60 0.08 0.17 0.00 0.65 0.65 65 P C C 78.50 7.19 10.85 19.52 101.69 -107.98 -65.05 -4.75 81.39 1.67 16.95 54.53 9.06 16.09 2.29 16.29 0.00 0.87 0.87 66 D C T 106.74 3.02 10.73 15.13 102.17 57.92 -80.82 -2.50 77.67 1.39 20.94 27.07 18.35 31.68 2.10 19.41 0.00 0.68 0.71 67 D C C 104.32 3.08 9.05 13.76 101.07 77.00 -85.60 8.01 74.06 1.77 24.18 37.11 13.19 22.88 2.68 22.44 0.00 0.89 0.81 68 E C C 126.55 3.78 7.78 13.36 107.69 97.76 -86.00 93.97 87.12 1.21 11.67 73.76 3.62 10.55 2.89 7.88 0.00 0.66 0.65 69 D C C 115.66 1.98 11.01 14.32 108.68 -142.78 -84.65 108.74 99.87 0.05 0.08 99.52 0.19 0.21 0.03 0.01 0.00 0.03 0.01