# 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 52.32 10.07 14.95 25.69 115.07 -144.01 -85.04 139.87 99.88 0.10 0.02 99.83 0.07 0.03 0.01 0.00 0.00 0.05 0.01 1 R C C 145.99 5.75 14.94 22.36 117.20 -141.52 -96.75 130.04 84.56 14.00 1.44 83.01 1.18 0.99 1.20 0.27 0.00 9.50 3.87 2 V C C 44.43 13.81 12.10 26.58 119.80 -161.78 -106.99 133.66 88.63 10.04 1.33 81.54 6.66 0.73 1.17 0.28 0.00 7.61 2.00 3 T C C 57.31 4.91 21.35 26.32 122.77 -142.90 -90.57 159.43 87.61 10.78 1.61 85.80 2.20 0.39 1.61 0.17 0.00 6.28 3.54 4 V H H 35.30 19.35 12.97 31.81 91.96 -111.93 -58.83 -38.82 3.67 0.04 96.29 1.12 0.66 1.86 95.56 0.77 0.01 0.02 0.01 5 Q H H 111.73 3.41 19.39 23.42 91.69 53.81 -63.07 -40.39 2.18 0.02 97.80 0.39 0.24 1.45 97.07 0.83 0.01 0.01 0.00 6 D H H 69.76 3.45 20.17 23.56 92.26 48.34 -66.43 -39.09 1.74 0.03 98.23 0.38 0.21 1.11 97.20 1.07 0.01 0.02 0.00 7 A H H 6.26 18.88 13.07 32.69 91.87 52.62 -64.01 -42.66 1.21 0.02 98.76 0.38 0.16 0.62 98.46 0.36 0.00 0.01 0.00 8 V H H 38.98 13.26 14.62 28.53 91.94 50.24 -63.94 -41.06 0.94 0.01 99.04 0.23 0.11 0.53 98.84 0.28 0.00 0.01 0.00 9 E H H 148.25 0.92 19.24 18.14 92.18 49.59 -65.40 -38.68 1.34 0.01 98.65 0.18 0.11 0.94 98.33 0.42 0.00 0.01 0.00 10 K H H 122.95 3.96 16.93 21.79 96.00 42.39 -77.42 -37.97 3.02 0.01 96.97 0.13 0.20 2.61 96.69 0.35 0.01 0.00 0.00 11 I H H 43.27 14.47 11.84 26.46 101.97 27.28 -102.37 -17.58 10.16 0.04 89.79 1.04 1.61 6.95 90.07 0.28 0.01 0.01 0.03 12 G C S 53.10 2.31 18.44 20.91 98.03 -128.83 78.43 -0.05 99.41 0.12 0.47 42.67 46.34 10.45 0.28 0.14 0.00 0.05 0.07 13 N C S 65.36 5.56 18.59 25.18 135.90 31.35 -143.50 154.79 98.18 0.78 1.04 47.32 49.89 0.79 0.94 0.14 0.00 0.15 0.78 14 R H H 103.20 14.15 15.36 29.21 92.57 -119.33 -63.08 -36.20 2.42 0.00 97.57 0.28 0.43 1.50 97.40 0.38 0.00 0.00 0.00 15 F H H 113.76 6.82 20.72 27.58 91.58 55.59 -63.84 -41.52 1.29 0.00 98.71 0.11 0.10 0.98 98.41 0.40 0.00 0.00 0.00 16 D H H 51.50 8.77 21.67 31.21 91.65 49.31 -65.63 -40.43 0.18 0.00 99.82 0.03 0.01 0.11 99.64 0.21 0.00 0.00 0.00 17 L H H 10.49 21.24 17.88 39.10 91.19 51.37 -63.29 -43.23 0.04 0.00 99.96 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 18 V H H 35.89 15.26 22.70 37.68 91.64 49.66 -64.21 -42.79 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 19 L H H 72.85 6.37 26.59 33.00 91.51 49.66 -63.45 -42.42 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 20 V H H 23.00 14.22 24.10 38.80 91.42 49.35 -64.23 -43.22 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 21 A H H 5.64 21.95 21.47 43.14 91.32 50.49 -63.64 -42.77 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 22 A H H 34.61 11.04 24.53 35.75 91.31 51.25 -63.08 -42.32 0.17 0.00 99.83 0.01 0.00 0.12 99.85 0.02 0.00 0.00 0.00 23 R H H 107.66 5.48 26.98 32.91 91.63 49.70 -64.52 -42.00 0.38 0.00 99.62 0.02 0.01 0.27 99.68 0.02 0.00 0.00 0.00 24 R H H 44.46 15.87 22.63 38.10 91.85 49.95 -64.70 -42.06 0.35 0.00 99.65 0.03 0.02 0.20 99.72 0.03 0.00 0.00 0.00 25 A H H 12.94 17.60 19.23 37.03 91.40 52.10 -62.52 -42.51 0.28 0.00 99.72 0.05 0.01 0.14 99.75 0.05 0.00 0.00 0.00 26 R H H 119.57 4.25 24.44 28.30 91.60 50.25 -63.93 -41.03 0.40 0.00 99.60 0.05 0.02 0.25 99.55 0.13 0.00 0.00 0.00 27 Q H H 68.21 6.55 20.13 27.53 91.83 50.42 -64.91 -40.78 0.82 0.00 99.17 0.09 0.06 0.58 98.93 0.34 0.00 0.00 0.00 28 M H H 35.68 15.64 13.83 29.77 92.17 51.15 -65.26 -39.09 2.15 0.01 97.83 0.27 0.17 1.59 97.28 0.69 0.00 0.01 0.00 29 Q H H 105.83 6.71 16.22 24.01 92.12 53.13 -67.86 -28.61 9.17 0.03 90.80 0.61 0.60 7.71 90.29 0.75 0.01 0.01 0.01 30 V C T 106.62 2.08 14.82 16.97 97.25 52.74 -85.85 -6.13 55.05 0.14 44.82 2.10 4.58 46.06 45.81 1.26 0.03 0.04 0.11 31 G C T 54.55 2.94 13.62 17.63 102.24 -90.15 87.95 7.41 86.43 0.19 13.39 11.44 9.75 63.91 13.37 1.31 0.00 0.07 0.14 32 G C C 41.00 6.76 10.67 18.91 114.27 149.51 -78.29 161.25 96.61 0.49 2.90 61.32 21.26 14.02 0.88 1.95 0.00 0.21 0.36 33 K C C 147.66 3.16 13.79 18.23 106.59 -102.22 -88.07 26.05 97.16 0.85 1.99 45.74 44.14 7.32 0.56 1.31 0.00 0.33 0.61 34 D C C 96.29 4.77 14.97 20.93 108.64 30.58 -94.34 102.84 98.17 0.77 1.06 67.75 27.18 3.12 0.30 0.80 0.00 0.34 0.51 35 P C C 58.40 13.08 11.08 24.57 110.85 -151.05 -67.94 141.67 94.79 0.62 4.59 60.86 12.93 19.87 0.76 4.92 0.00 0.32 0.34 36 L C C 99.38 6.40 16.84 24.05 98.13 -144.28 -81.38 -12.44 95.06 1.33 3.61 40.09 32.67 21.83 0.63 3.41 0.00 0.57 0.80 37 V C S 42.10 13.36 10.11 24.15 117.84 75.40 -104.66 127.90 97.40 1.41 1.19 34.59 61.47 1.49 0.59 0.44 0.00 0.46 0.95 38 P C C 80.89 4.14 14.52 19.89 111.93 -114.31 -67.22 146.62 94.87 0.59 4.54 84.43 5.96 4.56 1.22 3.17 0.00 0.30 0.35 39 E C C 128.75 5.50 10.82 17.93 104.56 -116.28 -74.17 28.16 73.27 0.82 25.91 38.67 14.08 18.97 3.81 23.55 0.00 0.39 0.53 40 E C C 141.52 2.34 12.41 15.92 102.41 73.04 -82.86 2.13 71.83 0.78 27.38 30.68 14.80 25.19 3.52 24.94 0.00 0.36 0.50 41 N C C 97.97 5.76 11.48 18.59 104.28 63.06 -92.94 47.69 77.47 0.67 21.86 40.14 16.15 19.44 2.87 20.61 0.00 0.30 0.48 42 D C C 80.35 8.20 12.38 21.72 106.08 140.57 -88.65 42.39 91.31 0.49 8.21 53.21 26.39 11.51 2.63 5.60 0.00 0.16 0.50 43 K C C 104.87 5.51 18.54 24.63 115.06 112.77 -83.24 142.90 93.61 0.71 5.69 65.55 26.12 1.41 5.58 0.56 0.00 0.16 0.62 44 T H H 44.30 15.97 16.31 31.97 92.93 -121.10 -60.19 -37.57 2.87 0.01 97.12 0.73 0.56 1.37 97.06 0.28 0.00 0.00 0.00 45 T H H 37.52 16.00 19.48 34.82 91.95 53.91 -64.05 -40.73 1.05 0.00 98.94 0.19 0.10 0.61 98.88 0.21 0.00 0.00 0.00 46 V H H 46.18 8.58 22.98 32.26 91.81 49.30 -64.57 -42.24 0.25 0.00 99.75 0.05 0.02 0.13 99.66 0.14 0.00 0.00 0.00 47 I H H 28.72 12.25 22.70 35.84 91.70 49.53 -63.58 -43.31 0.05 0.00 99.95 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 48 A H H 4.84 21.15 20.08 41.51 91.31 50.31 -62.44 -43.69 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 49 L H H 35.08 14.90 23.08 37.81 91.42 49.69 -63.44 -41.87 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 50 R H H 97.23 6.29 25.13 31.77 91.72 49.96 -64.37 -42.08 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 51 E H H 25.74 13.48 19.42 33.99 92.02 49.38 -64.32 -42.55 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 52 I H H 21.75 18.62 15.91 34.57 91.99 49.23 -64.33 -42.85 0.38 0.00 99.62 0.03 0.01 0.29 99.56 0.11 0.00 0.00 0.00 53 E H H 108.63 6.73 18.07 25.74 91.12 51.24 -64.52 -34.52 2.90 0.00 97.10 0.05 0.06 2.84 96.88 0.17 0.00 0.00 0.00 54 E C T 116.47 3.29 17.21 20.92 92.10 51.38 -84.17 -5.86 76.82 0.01 23.17 0.15 0.57 75.49 23.47 0.31 0.00 0.00 0.01 55 G C T 45.01 6.58 15.29 23.26 94.21 -114.84 76.94 15.98 99.57 0.00 0.42 0.54 1.06 98.10 0.27 0.03 0.00 0.00 0.00 56 L C S 67.60 9.15 17.14 27.53 95.28 127.37 -79.00 -18.40 98.98 0.40 0.62 35.17 61.51 2.34 0.38 0.25 0.00 0.14 0.21 57 I C S 20.58 21.72 11.89 32.83 121.68 59.15 -112.96 131.61 86.23 12.22 1.55 34.24 49.68 3.19 0.92 0.57 0.00 4.29 7.08 58 N C C 71.01 6.60 20.93 28.04 131.06 -173.45 -129.77 160.20 90.54 7.48 1.98 84.64 4.49 1.54 1.11 0.76 0.00 5.11 2.35 59 N C T 89.04 11.59 14.03 25.89 95.59 -117.97 -74.31 -12.68 61.28 2.43 36.29 21.20 16.66 24.28 17.30 18.04 0.05 1.32 1.15 60 Q C T 129.61 2.35 17.91 20.52 97.20 74.19 -76.33 -16.03 58.59 2.42 39.00 19.02 15.09 25.03 20.37 18.01 0.09 1.29 1.10 61 I C C 70.16 10.93 14.31 25.74 100.35 56.67 -87.66 -12.52 54.14 4.14 41.72 27.69 13.18 13.86 24.59 16.75 0.08 2.25 1.61 62 L C C 41.54 17.03 10.39 26.54 115.22 86.74 -91.66 131.80 69.11 2.58 28.32 44.82 17.79 6.58 22.60 5.86 0.01 1.17 1.17 63 D C C 73.03 4.27 17.01 21.97 112.86 -137.43 -86.49 140.09 81.18 1.03 17.79 73.84 3.82 2.98 16.76 1.70 0.00 0.44 0.46 64 V H H 82.70 6.33 12.80 20.84 93.99 -132.84 -63.45 -36.27 6.64 0.07 93.29 3.54 1.18 2.09 91.79 1.35 0.00 0.03 0.02 65 R H H 153.10 1.55 15.72 16.92 92.19 52.98 -64.72 -40.53 3.34 0.04 96.62 1.09 0.46 1.71 95.07 1.62 0.00 0.02 0.01 66 E H H 90.32 3.91 14.57 19.70 92.10 49.16 -66.17 -40.10 2.82 0.04 97.14 1.08 0.35 1.35 95.40 1.80 0.00 0.03 0.01 67 R H H 93.59 7.25 13.20 21.98 92.23 51.65 -64.27 -41.21 1.59 0.01 98.40 0.63 0.20 0.66 97.89 0.61 0.00 0.01 0.00 68 Q H H 96.65 2.47 15.97 18.71 91.84 50.15 -64.20 -41.12 1.15 0.01 98.84 0.37 0.12 0.53 98.66 0.31 0.00 0.00 0.00 69 E H H 101.61 1.90 16.31 17.76 91.80 49.69 -64.87 -41.04 1.23 0.01 98.76 0.35 0.12 0.60 98.62 0.30 0.00 0.00 0.00 70 Q H H 81.47 4.37 14.56 20.30 92.14 50.25 -65.03 -40.66 1.23 0.01 98.77 0.33 0.12 0.60 98.67 0.27 0.00 0.00 0.00 71 Q H H 88.64 4.01 14.32 19.50 92.05 50.78 -65.11 -40.46 1.75 0.01 98.24 0.55 0.18 0.82 98.12 0.32 0.00 0.00 0.00 72 E H H 112.84 1.62 15.07 16.28 92.12 50.41 -64.84 -40.43 2.48 0.02 97.50 0.85 0.28 1.16 97.29 0.40 0.00 0.01 0.00 73 Q H H 103.33 1.86 14.22 16.13 92.29 50.00 -65.40 -40.14 3.89 0.03 96.08 1.46 0.49 1.79 95.65 0.59 0.00 0.01 0.01 74 E H H 98.65 3.14 12.46 16.83 92.49 50.44 -66.04 -38.63 6.79 0.06 93.15 2.44 0.82 3.33 92.32 1.03 0.00 0.03 0.02 75 A H H 65.54 2.43 11.50 15.01 92.75 52.25 -67.11 -35.46 13.64 0.10 86.25 4.03 1.76 7.61 84.82 1.68 0.01 0.04 0.05 76 A H H 79.15 1.50 10.79 12.82 94.58 54.96 -70.98 -27.81 30.97 0.28 68.74 8.39 4.20 18.39 66.72 2.02 0.02 0.11 0.16 77 E C H 138.63 1.69 9.58 12.30 98.63 59.88 -77.22 -12.11 61.84 0.37 37.78 32.24 1.85 25.73 38.01 1.80 0.00 0.15 0.22 78 L C C 112.15 3.66 10.07 15.37 102.17 74.65 -77.07 -3.34 99.90 0.02 0.08 99.74 0.08 0.12 0.05 0.00 0.00 0.01 0.00