# 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 103.88 7.49 13.09 21.64 114.72 -163.93 -96.53 130.06 99.78 0.20 0.02 99.74 0.08 0.04 0.01 0.00 0.00 0.11 0.02 1 V C C 93.80 5.95 11.86 19.21 113.57 -157.75 -96.61 125.15 86.22 11.00 2.78 79.96 2.47 3.82 1.19 1.19 0.00 7.70 3.66 2 F C C 98.80 9.25 11.52 21.80 118.74 -148.63 -101.72 136.26 81.73 14.14 4.13 57.14 17.38 7.11 1.33 2.80 0.02 10.58 3.64 3 Q C C 96.26 7.28 17.86 25.84 116.38 -132.97 -89.01 135.89 82.82 13.52 3.66 61.71 14.89 5.87 0.99 2.58 0.00 11.93 2.03 4 L C C 40.01 17.27 15.11 32.30 116.41 -139.86 -98.41 130.21 71.02 26.86 2.12 50.90 17.02 3.34 0.66 1.52 0.01 23.46 3.10 5 V E B 45.12 10.00 19.67 30.85 124.23 -163.84 -116.36 139.18 15.36 84.26 0.38 12.12 1.45 0.10 0.34 0.07 0.00 28.22 57.68 6 C C C 18.38 15.50 13.72 30.59 109.67 -115.60 -74.02 127.53 73.47 26.41 0.12 73.88 0.92 0.12 0.06 0.05 0.00 19.61 5.37 7 S C T 59.47 7.49 16.06 25.11 93.94 -147.81 -70.44 -24.22 99.61 0.19 0.19 0.51 2.93 96.27 0.01 0.13 0.00 0.11 0.04 8 T C T 87.87 4.14 15.97 20.97 100.18 43.31 -84.80 -39.83 99.80 0.06 0.14 0.10 1.65 98.12 0.00 0.09 0.00 0.03 0.02 9 C C T 71.72 4.24 14.09 19.49 101.45 19.94 -105.89 -13.78 99.83 0.05 0.12 0.31 2.47 97.10 0.00 0.08 0.00 0.02 0.01 10 G C C 46.34 5.19 13.09 19.93 95.61 -122.31 79.14 6.54 98.83 1.03 0.14 75.87 14.08 8.90 0.03 0.11 0.00 0.54 0.46 11 K C C 109.89 3.95 15.84 21.27 119.54 137.65 -83.95 144.60 83.04 16.89 0.08 70.78 12.80 0.30 0.03 0.06 0.00 11.19 4.85 12 D E B 89.36 7.19 16.17 24.69 113.80 -112.24 -79.20 134.10 9.67 90.24 0.09 7.22 1.10 0.04 0.09 0.01 0.00 28.34 63.18 13 I C C 24.20 18.80 10.32 29.04 120.01 -147.64 -99.41 137.76 84.13 15.79 0.09 81.55 3.20 0.12 0.04 0.04 0.00 13.78 1.27 14 S C C 53.67 3.16 20.20 22.74 121.02 -123.75 -78.75 162.29 95.68 3.87 0.44 93.88 2.30 0.16 0.37 0.06 0.00 1.80 1.42 15 H H H 110.57 8.78 12.76 22.72 91.79 -106.54 -58.58 -38.21 1.77 0.01 98.22 0.35 0.29 0.97 97.89 0.50 0.00 0.00 0.00 16 E H H 129.78 1.29 16.95 17.12 91.74 52.90 -64.09 -40.64 0.59 0.00 99.41 0.06 0.04 0.40 99.00 0.49 0.00 0.00 0.00 17 R H H 102.50 5.99 16.39 23.51 92.17 48.69 -65.98 -40.09 0.24 0.00 99.76 0.03 0.02 0.15 99.31 0.48 0.00 0.00 0.00 18 Y H H 30.60 17.51 12.48 30.07 91.75 50.28 -64.41 -42.06 0.19 0.00 99.81 0.03 0.01 0.11 99.65 0.20 0.00 0.00 0.00 19 K H H 98.75 5.90 17.31 24.31 91.35 52.35 -63.17 -40.96 0.32 0.00 99.68 0.03 0.01 0.21 99.63 0.11 0.00 0.00 0.00 20 L H H 85.94 2.23 18.49 19.97 91.78 50.34 -64.59 -41.60 0.60 0.00 99.39 0.05 0.02 0.45 99.25 0.23 0.00 0.00 0.00 21 I H H 45.22 10.03 15.58 27.12 92.82 48.61 -65.95 -41.22 1.31 0.00 98.69 0.09 0.06 1.01 98.42 0.41 0.00 0.00 0.00 22 I H H 34.71 15.85 12.17 28.00 93.99 46.74 -70.90 -34.65 5.74 0.04 94.22 0.58 0.44 4.49 93.37 1.08 0.01 0.01 0.02 23 R H H 159.43 2.70 15.65 19.44 92.04 57.04 -67.34 -29.89 28.60 0.03 71.36 0.73 0.92 26.88 70.26 1.16 0.01 0.01 0.02 24 K C H 156.44 1.20 15.56 15.92 96.97 42.75 -88.62 -11.32 52.68 0.05 47.27 1.14 2.13 47.55 47.93 1.18 0.01 0.01 0.03 25 K C S 71.77 11.12 9.81 21.73 125.31 67.63 -112.19 151.34 96.74 0.77 2.49 18.08 76.38 1.77 2.79 0.21 0.00 0.19 0.57 26 S C C 58.34 2.85 18.66 21.06 116.89 -109.16 -74.05 154.76 93.64 4.50 1.86 92.87 0.94 0.44 1.64 0.15 0.00 1.09 2.87 27 L H H 61.19 14.85 11.44 26.33 92.13 -112.54 -58.85 -37.85 2.19 0.02 97.80 0.79 0.32 0.99 97.06 0.82 0.00 0.01 0.00 28 K H H 131.63 3.10 17.65 21.72 91.40 55.16 -63.49 -40.00 0.91 0.01 99.08 0.18 0.09 0.55 98.34 0.84 0.00 0.00 0.00 29 D H H 80.29 2.92 19.14 21.85 91.98 48.63 -66.52 -39.95 0.53 0.01 99.46 0.13 0.05 0.30 98.56 0.95 0.00 0.01 0.00 30 V H H 21.33 14.71 14.87 30.54 92.04 49.95 -64.47 -43.30 0.69 0.01 99.30 0.21 0.07 0.36 98.86 0.49 0.00 0.01 0.00 31 L H H 49.96 12.07 16.61 29.34 91.84 49.88 -63.89 -41.82 1.16 0.04 98.80 0.43 0.13 0.57 98.48 0.36 0.00 0.03 0.01 32 V H H 81.35 2.56 19.77 21.70 91.80 50.11 -64.30 -41.84 1.80 0.04 98.16 0.59 0.19 0.95 97.75 0.48 0.00 0.02 0.01 33 S H H 49.33 4.89 18.40 24.14 92.56 49.34 -65.84 -40.68 3.85 0.06 96.10 0.96 0.40 2.42 95.50 0.67 0.01 0.03 0.02 34 V H H 30.33 15.22 14.63 30.17 92.97 49.13 -66.67 -40.49 5.50 0.10 94.40 1.77 0.79 3.09 93.34 0.92 0.01 0.05 0.03 35 K H H 107.55 7.60 16.95 25.42 92.16 53.30 -65.25 -37.90 8.68 0.15 91.18 2.50 1.17 5.08 89.81 1.28 0.02 0.07 0.06 36 N H H 107.35 1.91 18.35 19.46 94.52 48.08 -74.20 -30.71 19.14 0.19 80.66 3.07 2.17 13.98 78.60 1.94 0.05 0.09 0.10 37 E H H 96.14 6.21 17.11 24.00 100.23 40.23 -86.44 -29.77 30.19 0.65 69.16 5.84 5.04 20.23 65.75 2.40 0.15 0.30 0.30 38 C H H 38.37 12.60 13.45 26.48 102.40 55.75 -82.81 -37.84 34.60 4.35 61.05 18.42 6.63 11.15 55.03 4.78 0.14 2.72 1.13 39 C H H 61.10 6.82 16.16 23.93 95.67 56.82 -69.45 -37.64 25.00 5.83 69.16 13.67 4.29 8.35 60.28 7.30 0.12 5.19 0.81 40 R H H 133.18 4.15 16.83 21.76 94.11 54.55 -67.81 -37.44 17.03 7.81 75.16 8.96 2.92 6.25 65.69 7.76 0.11 7.62 0.70 41 L H H 73.74 7.92 14.62 23.61 94.55 53.82 -69.11 -37.98 14.93 7.76 77.31 7.94 2.68 5.33 67.45 8.21 0.09 7.70 0.60 42 K H H 105.86 6.58 14.94 22.56 95.56 53.06 -69.69 -34.76 19.99 8.93 71.08 10.43 3.32 7.29 62.93 6.61 0.11 8.44 0.88 43 L H H 94.32 4.93 13.60 19.74 96.78 55.31 -75.69 -25.45 25.62 7.18 67.21 12.27 4.73 10.03 59.07 6.40 0.16 6.30 1.03 44 S H H 67.25 4.46 12.33 18.16 99.46 62.23 -79.27 -13.13 38.81 5.27 55.91 19.39 6.61 13.93 49.57 5.35 0.09 4.02 1.04 45 T C H 77.78 5.74 10.80 18.07 102.99 67.34 -89.50 3.80 54.43 5.28 40.29 23.32 10.90 20.71 34.77 5.23 0.12 3.65 1.30 46 Q C C 130.78 2.87 11.05 15.34 103.82 115.90 -80.09 52.10 66.06 7.00 26.94 32.14 14.63 19.31 22.70 4.72 0.08 4.82 1.61 47 I C C 115.47 3.42 9.55 14.74 110.44 121.77 -94.65 112.31 74.12 7.88 18.00 41.40 22.41 10.42 15.30 3.29 0.05 4.72 2.41 48 E C C 128.54 3.17 10.30 15.19 115.92 -108.72 -99.68 128.36 86.07 4.82 9.11 56.36 25.03 4.72 7.51 2.03 0.01 2.94 1.40 49 P C C 88.80 4.63 9.76 16.26 111.58 -113.80 -70.14 145.99 81.75 2.79 15.46 60.89 9.91 10.87 9.62 5.95 0.00 1.90 0.84 50 Q C C 126.49 3.66 9.42 14.93 111.01 -130.58 -85.66 124.06 75.43 4.95 19.61 50.28 11.72 13.34 10.78 8.99 0.01 3.17 1.69 51 R C C 158.15 3.39 9.39 14.61 112.09 -155.60 -93.50 125.62 72.25 6.48 21.27 42.70 14.92 15.32 10.67 10.23 0.04 4.19 1.95 52 N C C 115.00 2.74 10.04 14.39 109.98 -153.69 -93.09 108.66 72.62 9.30 18.08 44.79 13.22 15.09 9.04 8.83 0.04 6.72 2.27 53 L C C 105.92 5.58 8.30 15.51 108.49 -165.47 -94.53 94.82 70.90 15.50 13.60 45.09 14.17 11.92 6.94 6.60 0.04 12.72 2.53 54 T C C 101.58 2.18 11.00 14.51 113.15 102.40 -98.71 121.09 66.16 24.07 9.77 41.80 14.92 9.68 5.31 4.58 0.04 20.43 3.25 55 V C C 90.78 5.99 8.33 16.09 117.24 -160.91 -102.15 129.55 69.76 25.03 5.21 49.14 16.48 3.59 3.54 2.01 0.02 21.00 4.22 56 Q C C 127.18 2.46 11.30 15.50 117.72 -151.67 -101.49 133.49 81.54 15.92 2.54 67.70 11.60 1.61 1.62 1.01 0.00 14.85 1.61 57 P C C 90.06 4.88 9.42 16.27 112.67 -110.22 -68.52 145.77 69.93 15.73 14.34 57.06 6.34 6.43 4.87 8.95 0.00 14.44 1.91 58 L C C 122.04 2.97 8.47 13.40 110.81 -122.62 -84.99 129.03 68.67 12.80 18.53 44.75 12.82 11.86 4.67 13.64 0.02 9.56 2.67 59 L C C 124.22 2.55 7.49 11.88 111.87 -144.66 -92.14 124.19 63.40 17.21 19.40 37.21 16.60 11.84 4.89 13.63 0.09 12.58 3.17 60 D C C 115.67 1.75 8.07 11.37 111.07 -142.28 -92.34 115.65 70.94 16.44 12.61 51.65 9.52 9.89 3.65 8.76 0.01 13.83 2.68 61 I C C 124.76 3.08 6.25 11.26 109.04 -168.35 -95.64 77.26 84.96 11.71 3.34 80.13 1.66 3.54 1.35 1.45 0.00 8.95 2.93 62 N C C 127.00 1.51 10.26 12.84 107.75 104.18 -91.82 88.63 99.84 0.15 0.01 99.76 0.09 0.04 0.00 0.00 0.00 0.09 0.01