# 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 112.62 5.83 11.49 18.82 113.53 -157.75 -90.60 132.82 99.71 0.23 0.05 99.53 0.19 0.09 0.02 0.01 0.00 0.12 0.04 1 A C C 75.13 4.03 9.17 15.01 113.50 -126.48 -81.55 138.02 90.22 5.74 4.04 86.30 1.42 3.05 2.12 1.22 0.00 3.26 2.62 2 K C C 140.68 3.14 8.75 13.85 112.06 -127.25 -87.38 132.31 86.02 6.21 7.77 67.13 11.63 6.89 3.66 4.07 0.00 3.65 2.97 3 S C C 77.33 3.97 8.57 14.15 108.67 -140.70 -82.68 109.18 83.25 3.37 13.38 57.12 13.41 12.61 4.40 9.04 0.00 1.97 1.45 4 S C C 83.00 2.81 9.69 13.91 104.60 75.36 -84.46 32.99 81.72 2.56 15.72 47.01 17.66 17.21 4.14 11.47 0.00 1.35 1.16 5 K C C 142.43 2.93 9.65 14.21 104.78 71.19 -85.46 45.48 83.77 3.26 12.97 48.74 20.25 14.90 3.26 9.64 0.00 1.71 1.49 6 R C C 143.59 4.89 9.09 15.71 112.99 85.94 -90.51 124.23 88.66 5.16 6.18 61.17 20.93 6.10 2.22 3.94 0.00 2.28 3.35 7 R C C 156.09 2.89 11.19 15.86 118.81 -136.66 -92.31 139.32 97.23 2.23 0.54 72.55 24.03 0.83 0.25 0.26 0.00 1.06 1.01 8 P C C 92.47 4.39 10.46 16.81 113.92 -102.79 -65.78 148.19 96.40 1.88 1.72 85.29 8.66 2.36 0.67 0.95 0.00 0.83 1.25 9 A C C 59.77 6.82 8.59 17.16 115.10 -105.12 -70.53 148.56 91.63 1.09 7.28 75.98 9.54 5.54 1.91 5.83 0.00 0.55 0.65 10 P C C 100.69 3.14 10.21 15.02 108.56 -103.04 -69.26 139.89 86.01 1.15 12.84 57.18 13.19 14.42 2.43 11.58 0.00 0.61 0.59 11 E C C 151.02 1.85 10.02 13.11 106.18 -118.52 -85.22 58.59 84.33 1.51 14.16 52.10 19.17 12.52 3.28 11.28 0.00 0.74 0.91 12 K C C 134.29 3.32 9.69 14.87 116.86 76.63 -97.34 133.34 92.57 1.14 6.30 54.89 35.22 2.79 3.70 2.22 0.00 0.45 0.73 13 P C C 88.13 4.75 10.23 16.89 112.16 -108.61 -68.27 145.73 88.91 1.38 9.71 77.75 7.13 4.40 5.56 3.69 0.00 0.70 0.78 14 V C C 93.19 6.12 9.59 17.31 110.12 -132.11 -86.44 127.94 83.70 3.27 13.03 70.54 8.27 4.76 7.91 4.91 0.00 1.62 1.98 15 K C C 133.14 4.16 11.32 17.20 111.97 -142.49 -90.39 130.72 83.47 2.92 13.61 67.51 9.88 5.78 7.51 6.22 0.00 1.59 1.50 16 T C C 92.54 5.10 11.32 17.94 106.77 -130.03 -86.74 68.24 83.13 3.07 13.80 58.79 15.68 8.63 6.86 6.95 0.00 1.70 1.39 17 R C C 143.00 5.13 13.94 20.54 110.63 88.34 -92.24 116.40 83.87 5.45 10.68 59.16 17.46 7.31 5.38 5.24 0.00 3.24 2.21 18 K C C 106.48 8.48 16.16 25.49 118.94 -145.60 -89.07 142.17 83.27 10.97 5.76 66.73 12.67 2.64 3.95 2.02 0.00 4.76 7.22 19 C C C 17.39 17.91 12.53 30.79 113.36 -108.98 -71.59 139.39 92.79 4.69 2.52 86.97 4.74 0.83 2.12 0.45 0.00 1.66 3.21 20 V H H 71.50 5.66 20.45 27.21 92.55 -128.27 -62.66 -33.73 17.43 0.34 82.23 2.49 2.90 12.14 70.08 11.79 0.26 0.17 0.18 21 F H H 31.85 15.36 15.97 31.94 92.39 53.96 -67.18 -36.75 17.47 0.33 82.20 1.37 2.01 13.52 68.35 13.96 0.42 0.18 0.17 22 C H H 23.83 15.19 13.82 29.48 95.17 47.05 -78.94 -31.22 16.82 0.59 82.59 2.52 2.45 11.53 66.23 16.24 0.42 0.36 0.26 23 A H H 64.42 5.13 15.78 21.98 94.05 59.29 -71.86 -30.26 26.31 1.03 72.66 5.23 5.48 17.00 60.80 9.82 0.58 0.53 0.56 24 K C T 119.02 4.15 13.82 19.07 103.26 46.66 -90.38 16.82 56.18 1.04 42.78 6.99 11.78 37.41 35.12 7.17 0.29 0.47 0.76 25 K C T 136.59 5.67 12.32 19.65 97.94 -131.62 -35.43 4.01 67.17 1.11 31.72 13.51 14.37 39.55 18.86 12.27 0.09 0.47 0.87 26 D C T 101.67 4.11 13.65 19.10 99.28 83.40 -79.04 -2.43 65.06 1.44 33.50 22.34 14.04 29.61 10.67 21.76 0.03 0.68 0.89 27 Q C C 98.76 7.57 14.42 22.96 106.57 86.97 -90.89 63.99 65.70 2.46 31.83 27.76 17.01 21.89 7.91 22.96 0.02 1.22 1.23 28 A C C 54.17 9.25 17.70 27.50 114.73 -124.93 -88.16 138.86 74.57 4.34 21.09 48.56 14.28 11.21 5.25 16.32 0.00 2.37 2.01 29 I C C 20.23 22.02 12.25 33.94 116.63 -132.71 -93.65 129.72 91.47 5.64 2.90 81.09 8.43 1.42 1.49 1.34 0.00 2.36 3.87 30 D C C 66.24 6.46 22.79 29.61 110.26 -154.01 -103.00 112.02 97.43 1.77 0.80 96.36 1.07 0.40 0.29 0.25 0.00 0.65 0.98 31 Y C T 57.92 19.46 12.55 31.67 93.89 -165.58 -70.68 -15.82 89.38 0.29 10.34 4.46 5.11 79.75 1.48 8.86 0.00 0.15 0.18 32 K C T 142.80 3.11 18.26 22.29 91.84 65.78 -78.51 -13.57 90.02 0.20 9.78 2.21 7.19 80.62 1.20 8.56 0.00 0.11 0.11 33 D C C 65.29 7.21 15.51 24.25 106.60 73.16 -104.16 92.06 92.51 1.57 5.92 76.15 12.73 2.86 1.74 4.53 0.00 0.54 1.46 34 T H H 55.16 14.48 12.35 26.95 93.85 173.32 -66.05 -33.55 5.78 0.04 94.18 1.56 0.96 3.32 87.96 6.16 0.01 0.02 0.02 35 A H H 70.89 2.09 19.44 20.90 91.55 58.79 -63.21 -39.20 2.37 0.01 97.62 0.14 0.17 2.05 89.83 7.81 0.01 0.00 0.00 36 L H H 42.96 10.39 17.25 29.00 92.18 49.81 -66.20 -40.43 1.42 0.01 98.57 0.10 0.10 1.18 90.98 7.62 0.00 0.01 0.00 37 L H H 6.44 24.45 12.87 37.31 91.72 52.67 -64.31 -40.17 1.53 0.01 98.46 0.15 0.13 1.13 91.56 7.02 0.00 0.01 0.00 38 R H H 125.49 8.69 19.94 29.27 91.08 55.73 -64.27 -32.99 7.49 0.06 92.45 0.46 0.41 6.08 66.31 26.65 0.03 0.04 0.02 39 T H H 82.44 3.92 23.20 27.02 91.76 56.24 -71.87 -24.94 24.57 0.08 75.35 0.54 0.99 23.16 48.63 26.53 0.05 0.04 0.07 40 Y H H 26.25 19.47 16.35 36.12 97.24 47.66 -96.26 -7.03 39.67 0.33 59.99 1.67 2.77 33.64 37.09 24.33 0.07 0.19 0.23 41 I E B 25.31 19.54 13.25 32.77 122.20 88.31 -98.42 142.87 6.10 93.66 0.24 3.28 0.87 0.03 0.23 0.02 0.00 9.29 86.28 42 S C C 33.23 8.38 15.24 25.38 124.23 -132.36 -80.74 173.12 96.06 3.80 0.14 96.34 0.38 0.13 0.04 0.04 0.00 2.33 0.74 43 E C T 161.03 1.77 14.75 17.19 90.76 -88.17 -64.40 -20.11 98.10 0.95 0.95 0.61 4.13 93.70 0.11 0.66 0.00 0.58 0.20 44 R C T 160.08 1.95 17.15 18.80 93.14 55.16 -88.63 1.90 98.83 0.19 0.97 0.28 4.12 94.59 0.06 0.79 0.00 0.10 0.05 45 G C S 15.43 16.49 12.91 29.44 96.25 -105.76 82.49 10.05 98.96 0.56 0.48 10.39 86.89 1.90 0.05 0.31 0.00 0.26 0.20 46 K C C 97.61 5.62 21.90 28.35 120.91 134.13 -90.71 146.28 92.08 7.61 0.31 73.07 18.49 0.44 0.20 0.13 0.00 3.77 3.90 47 I E B 22.33 21.70 13.45 35.03 112.97 -110.95 -79.20 130.35 11.15 88.47 0.38 8.02 0.74 0.08 0.33 0.05 0.00 12.02 78.75 48 R C C 97.43 9.61 19.59 29.60 112.76 -137.75 -83.59 139.51 89.63 8.56 1.82 84.65 4.08 1.00 1.09 0.62 0.00 6.90 1.65 49 A C C 41.68 12.19 15.27 27.77 111.89 -109.60 -77.83 141.20 85.59 4.72 9.69 73.56 7.70 4.32 5.43 4.12 0.00 2.78 2.08 50 R C C 140.34 7.48 14.81 23.27 99.14 -135.22 -75.85 -15.09 72.32 4.16 23.53 32.27 20.95 20.26 9.79 12.62 0.05 2.13 1.93 51 R C C 152.27 3.73 16.05 20.79 100.99 67.66 -85.17 -2.33 66.34 9.50 24.16 29.56 18.87 19.78 11.00 11.93 0.18 5.39 3.30 52 V C C 63.96 11.63 11.36 23.43 113.36 71.94 -100.57 116.86 68.26 14.13 17.61 42.21 16.71 9.12 10.67 7.14 0.11 7.52 6.53 53 T C C 72.37 7.37 12.87 21.52 120.75 136.52 -114.01 148.93 82.92 8.10 8.98 58.19 15.37 8.85 6.54 2.91 0.01 4.91 3.23 54 G C S 53.75 2.62 16.30 19.42 104.96 -21.45 75.21 -90.14 78.12 2.62 19.26 15.74 36.01 27.37 12.63 5.52 0.12 1.24 1.38 55 N C S 81.48 8.31 14.33 23.51 106.20 62.23 -87.93 16.05 71.80 4.05 24.15 17.63 30.24 24.93 16.99 6.01 0.29 1.87 2.04 56 C C C 40.93 11.67 13.72 26.15 106.26 59.73 -85.00 95.21 66.57 6.68 26.75 50.43 7.62 8.02 22.84 4.55 0.02 3.27 3.27 57 V H H 78.20 6.96 16.59 24.63 95.07 116.84 -65.52 -39.03 5.42 0.09 94.49 2.86 0.94 1.79 93.65 0.69 0.00 0.04 0.02 58 Q H H 109.45 2.47 20.98 22.84 92.39 51.51 -64.96 -40.82 1.71 0.02 98.27 0.44 0.20 0.99 97.86 0.50 0.00 0.01 0.00 59 H H H 53.01 12.57 18.29 31.31 92.57 48.57 -66.45 -40.55 0.95 0.01 99.03 0.27 0.10 0.53 98.66 0.44 0.00 0.01 0.00 60 Q H H 33.94 17.72 17.04 34.37 91.98 52.82 -63.09 -42.05 0.29 0.00 99.71 0.07 0.02 0.15 99.65 0.10 0.00 0.00 0.00 61 R H H 128.34 4.22 23.52 27.96 91.73 50.46 -64.00 -41.33 0.18 0.00 99.82 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 62 D H H 65.79 6.55 23.76 30.49 91.70 49.66 -64.91 -41.26 0.13 0.00 99.87 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 63 I H H 14.81 20.56 19.47 39.98 92.17 49.57 -64.79 -42.41 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 64 A H H 24.76 14.16 21.71 35.99 91.55 51.33 -62.84 -42.49 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 65 L H H 84.11 3.32 25.99 28.75 91.48 49.47 -64.21 -42.07 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 66 A H H 21.68 12.08 21.76 34.74 91.59 50.09 -64.35 -42.51 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 67 V H H 13.67 20.51 19.29 39.57 91.88 49.66 -64.18 -42.92 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 68 K H H 95.32 7.47 23.72 31.56 91.51 50.47 -63.07 -41.86 0.22 0.00 99.78 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 69 N H H 73.32 4.33 23.36 27.53 91.69 49.11 -64.56 -41.61 0.47 0.00 99.53 0.04 0.03 0.33 99.52 0.08 0.00 0.00 0.00 70 A H H 13.93 14.17 16.77 32.35 91.84 51.59 -64.20 -41.66 0.50 0.00 99.50 0.06 0.03 0.35 99.33 0.24 0.00 0.00 0.00 71 R H H 84.17 11.71 17.20 29.25 92.10 50.88 -64.42 -40.74 0.70 0.00 99.30 0.07 0.04 0.51 98.99 0.38 0.00 0.00 0.00 72 E H H 116.14 3.10 17.75 21.30 92.19 50.36 -66.02 -36.94 1.47 0.00 98.53 0.10 0.07 1.21 98.18 0.44 0.00 0.00 0.00 73 V H H 82.96 4.92 15.06 20.92 94.15 49.96 -75.30 -25.96 7.86 0.01 92.12 0.26 0.33 7.44 91.24 0.71 0.01 0.00 0.00 74 A C T 66.84 6.55 14.24 21.71 97.39 5.26 -68.35 -12.22 51.98 0.06 47.96 0.82 1.65 48.71 47.54 1.19 0.02 0.02 0.05 75 L C T 101.17 4.92 14.16 20.17 98.80 57.44 -85.60 -8.27 73.12 0.29 26.59 4.30 8.12 58.34 27.04 1.83 0.02 0.10 0.24 76 L C S 73.12 9.13 9.63 19.95 114.99 74.92 -97.28 121.54 88.77 1.62 9.61 36.91 44.29 8.03 5.26 3.73 0.01 0.60 1.18 77 P C C 93.92 3.13 12.62 17.07 106.40 -136.45 -70.05 125.67 85.78 1.29 12.93 51.25 15.13 19.30 4.38 8.62 0.00 0.66 0.66 78 F C C 143.13 4.07 10.28 16.07 108.25 66.56 -90.00 85.55 77.27 5.60 17.13 45.83 14.57 17.17 6.65 10.16 0.02 2.82 2.79 79 T C C 86.71 4.64 9.35 15.79 114.79 134.94 -101.27 128.32 78.73 5.80 15.47 54.79 12.61 11.12 7.32 8.25 0.01 3.38 2.52 80 S C C 81.84 3.08 8.87 13.80 108.47 -158.14 -91.59 104.38 80.36 3.73 15.91 44.42 20.14 16.49 6.40 9.02 0.01 2.04 1.47 81 S C C 85.40 2.26 8.60 12.53 110.09 128.95 -92.77 113.88 82.90 3.70 13.40 46.99 20.40 16.22 4.45 8.47 0.01 2.06 1.40 82 V C C 108.91 3.11 7.27 12.37 113.16 -148.95 -93.05 127.11 89.68 3.08 7.23 81.84 2.05 7.06 2.88 3.05 0.00 2.03 1.10 83 R C C 168.06 2.65 10.21 14.76 114.02 -156.51 -97.55 128.68 99.64 0.29 0.07 99.44 0.18 0.12 0.04 0.01 0.00 0.18 0.04