# 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 102.03 7.69 14.21 22.88 109.14 -152.61 -84.02 112.40 99.91 0.04 0.05 99.81 0.09 0.05 0.02 0.00 0.00 0.01 0.01 1 Q C C 112.50 5.02 15.09 21.40 108.02 -131.23 -78.72 123.66 68.29 0.48 31.22 59.93 1.02 5.88 31.60 1.13 0.00 0.19 0.25 2 G H H 26.51 12.29 12.74 25.17 102.73 27.77 -49.84 -46.68 33.09 0.23 66.68 17.98 5.48 9.91 64.17 2.24 0.01 0.08 0.13 3 K H H 126.77 4.98 16.43 22.54 94.52 40.63 -66.37 -36.67 9.86 0.10 90.04 4.63 1.65 3.99 87.22 2.41 0.01 0.04 0.04 4 A H H 54.02 4.01 18.95 23.33 92.60 53.41 -64.20 -40.53 5.96 0.10 93.94 2.91 0.90 2.41 91.48 2.20 0.01 0.05 0.03 5 L H H 29.90 16.51 17.33 33.82 92.28 50.39 -65.29 -41.83 3.61 0.05 96.34 1.71 0.51 1.50 95.04 1.19 0.01 0.02 0.02 6 Q H H 34.93 18.24 18.16 35.83 91.63 51.83 -62.96 -42.14 1.56 0.01 98.42 0.66 0.18 0.63 98.23 0.29 0.00 0.00 0.00 7 D H H 81.37 4.07 24.08 28.15 91.58 50.66 -64.83 -40.42 0.77 0.00 99.23 0.22 0.06 0.37 99.19 0.15 0.00 0.00 0.00 8 F H H 66.42 8.04 23.10 31.84 91.65 50.13 -64.16 -42.80 0.53 0.00 99.47 0.09 0.03 0.31 99.44 0.12 0.00 0.00 0.00 9 V H H 3.88 24.68 19.46 44.14 91.91 48.90 -64.37 -43.81 0.50 0.00 99.50 0.07 0.03 0.30 99.51 0.08 0.00 0.00 0.00 10 I H H 25.64 18.15 20.62 38.27 91.30 50.10 -62.76 -43.00 0.29 0.00 99.71 0.04 0.02 0.17 99.72 0.06 0.00 0.00 0.00 11 D H H 84.66 2.46 25.43 26.62 91.54 50.36 -63.55 -42.19 0.63 0.00 99.37 0.07 0.03 0.42 99.33 0.15 0.00 0.00 0.00 12 K H H 60.35 10.94 21.32 32.63 92.08 48.93 -65.23 -41.88 1.66 0.00 98.34 0.11 0.09 1.30 98.15 0.33 0.00 0.00 0.00 13 I H H 3.76 25.47 14.01 39.91 91.66 49.13 -64.55 -41.86 3.12 0.01 96.86 0.43 0.34 2.23 96.16 0.81 0.01 0.00 0.00 14 D H H 78.48 8.47 18.71 27.90 91.71 51.27 -63.37 -39.95 9.17 0.03 90.79 1.20 0.63 7.01 88.42 2.68 0.02 0.02 0.02 15 D H H 112.17 1.49 20.73 21.15 90.65 54.08 -66.69 -27.84 21.81 0.04 78.14 1.08 1.10 19.41 75.29 3.05 0.03 0.02 0.03 16 L C T 48.34 13.84 14.57 29.10 94.49 50.74 -89.44 -0.41 72.33 0.14 27.53 1.80 5.73 64.17 24.38 3.70 0.02 0.06 0.15 17 K C T 139.93 3.50 22.47 26.55 94.82 -114.62 64.38 34.72 95.65 0.21 4.14 8.02 5.24 82.75 3.00 0.79 0.00 0.11 0.10 18 G C C 8.32 23.10 10.15 32.16 119.34 164.57 -79.08 153.90 87.66 11.88 0.46 84.79 2.02 0.72 0.07 0.33 0.00 11.34 0.72 19 Q C S 97.97 4.50 23.71 28.73 130.70 -160.19 -128.64 160.78 69.06 30.69 0.25 27.71 38.38 2.20 0.02 0.26 0.00 30.91 0.52 20 D E E 92.28 4.70 23.50 28.48 95.77 9.89 60.16 51.38 18.17 81.60 0.23 12.35 4.90 0.95 0.02 0.24 0.00 81.38 0.17 21 I E E 25.12 23.84 11.72 34.72 116.61 -171.19 -87.66 129.86 2.51 97.48 0.01 2.34 0.09 0.01 0.00 0.00 0.00 97.51 0.04 22 I E E 61.95 8.82 25.57 34.79 123.03 -170.18 -121.14 133.49 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 23 A E E 35.07 18.92 17.96 35.94 119.67 -156.80 -106.23 129.57 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 24 L E E 37.35 14.82 19.16 34.55 120.55 -168.73 -118.57 127.62 0.94 99.05 0.01 0.87 0.03 0.00 0.00 0.00 0.00 99.06 0.02 25 D E E 81.18 7.49 21.80 29.96 111.08 -141.78 -90.74 120.65 11.44 88.51 0.05 10.53 0.54 0.07 0.02 0.02 0.00 88.65 0.17 26 V C C 22.32 19.95 12.19 32.10 102.20 -173.21 -102.16 14.86 71.11 27.69 1.19 65.06 3.49 1.42 0.28 0.86 0.00 27.65 1.23 27 Q C C 115.68 5.00 15.76 22.79 111.24 143.74 -69.31 128.48 80.09 15.40 4.51 32.17 20.85 28.63 0.75 3.84 0.02 10.88 2.85 28 G C T 60.33 1.78 15.55 17.27 98.09 16.72 80.10 -3.84 90.96 4.54 4.49 14.86 36.23 40.19 0.46 4.12 0.00 2.93 1.20 29 K C S 133.34 4.34 14.27 20.14 100.81 80.30 -91.27 -19.61 91.90 3.72 4.38 28.06 41.63 22.07 0.53 4.18 0.00 1.98 1.55 30 S C S 41.15 10.82 11.85 23.47 132.08 23.85 -134.70 158.93 92.81 4.80 2.39 40.98 41.61 10.11 0.46 2.00 0.00 2.09 2.75 31 S C S 87.39 3.21 16.68 20.42 94.42 -129.16 -76.27 -17.08 97.01 1.50 1.49 6.33 74.86 16.24 0.19 1.02 0.00 0.89 0.48 32 I C S 81.89 9.00 17.40 26.81 100.30 48.83 -90.68 -28.02 92.98 5.89 1.13 10.77 69.31 13.38 0.15 0.88 0.00 4.04 1.47 33 T C C 18.59 18.92 15.37 34.07 127.78 39.87 -124.80 144.55 76.40 23.28 0.32 65.91 8.31 1.10 0.08 0.31 0.00 21.51 2.78 34 D C S 49.81 11.03 23.32 34.88 98.74 -159.96 -87.46 -27.79 80.41 19.54 0.05 20.42 58.68 0.86 0.00 0.04 0.00 19.61 0.37 35 C E E 7.20 20.98 21.83 42.80 139.22 5.62 -149.60 151.07 6.40 93.57 0.03 4.18 2.16 0.15 0.00 0.02 0.00 93.35 0.14 36 M E E 20.50 19.02 26.29 44.67 125.90 -156.22 -124.02 136.17 0.24 99.76 0.00 0.22 0.02 0.00 0.00 0.00 0.00 99.75 0.01 37 I E E 2.64 25.79 24.48 50.36 119.23 -158.43 -111.97 125.52 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 38 I E E 15.70 18.80 28.48 46.92 117.74 -163.71 -111.56 125.12 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 39 C E E 2.37 25.49 22.71 48.16 132.01 -170.83 -130.80 150.86 0.58 99.42 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 40 T E E 31.82 13.76 27.27 41.25 126.70 -157.16 -121.04 142.46 5.15 94.85 0.00 4.66 0.24 0.01 0.00 0.00 0.00 94.93 0.17 41 G E E 5.80 21.21 16.71 37.70 138.19 162.91 -145.20 163.64 44.90 55.07 0.03 40.07 3.86 0.17 0.01 0.03 0.00 54.99 0.88 42 T C S 88.54 5.41 21.87 28.11 98.01 -125.54 -88.68 -15.26 97.67 2.30 0.03 18.89 78.69 0.37 0.00 0.01 0.00 1.89 0.14 43 S C S 45.59 4.49 23.30 27.68 137.33 15.94 -146.16 163.92 97.64 1.27 1.09 26.71 70.56 0.56 1.06 0.10 0.00 0.32 0.69 44 S H H 55.19 13.49 15.05 28.46 91.85 -105.65 -61.73 -35.45 2.81 0.01 97.18 0.38 0.61 1.64 96.84 0.52 0.00 0.00 0.00 45 R H H 159.69 1.72 22.10 23.03 91.58 54.36 -63.31 -40.29 1.19 0.00 98.81 0.13 0.12 0.83 98.40 0.51 0.00 0.00 0.00 46 H H H 56.83 12.29 19.65 32.29 92.15 48.71 -66.00 -40.05 0.56 0.00 99.44 0.12 0.05 0.33 98.94 0.54 0.00 0.00 0.00 47 V H H 5.62 24.83 15.99 41.03 91.62 50.96 -63.10 -43.37 0.20 0.00 99.80 0.04 0.01 0.11 99.76 0.08 0.00 0.00 0.00 48 M H H 79.22 9.74 24.44 34.20 91.50 50.21 -63.58 -41.46 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 49 S H H 46.94 4.18 26.54 30.89 91.26 50.33 -63.76 -42.70 0.33 0.00 99.67 0.03 0.01 0.23 99.69 0.03 0.00 0.00 0.00 50 I H H 7.13 22.24 22.21 44.08 91.57 49.26 -64.38 -43.12 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 51 A H H 5.57 23.39 21.25 44.20 90.96 51.18 -62.29 -43.06 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 52 D H H 78.63 4.42 27.35 32.12 91.41 50.44 -64.11 -41.53 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 53 H H H 67.37 8.51 25.67 34.81 91.68 49.50 -64.69 -42.10 0.13 0.00 99.87 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 54 V H H 2.19 25.85 20.29 46.32 91.68 49.52 -63.89 -44.03 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 55 V H H 25.62 17.32 21.53 38.38 91.23 49.84 -62.78 -42.95 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 56 Q H H 102.80 2.22 26.11 26.81 91.41 49.60 -63.52 -42.26 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 57 E H H 57.80 9.52 21.49 31.76 91.81 48.90 -64.91 -41.59 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 58 S H H 4.77 22.22 13.15 35.57 91.44 50.42 -64.42 -42.12 0.50 0.00 99.50 0.05 0.03 0.34 99.44 0.14 0.00 0.00 0.00 59 R H H 136.21 5.85 17.34 24.61 91.49 50.78 -63.36 -40.33 1.09 0.00 98.91 0.08 0.04 0.81 98.62 0.44 0.00 0.00 0.00 60 A H H 88.06 1.25 17.48 17.98 90.33 54.15 -65.61 -26.87 7.02 0.01 92.97 0.16 0.20 6.75 92.42 0.46 0.00 0.00 0.00 61 A C T 51.18 8.87 12.58 22.91 93.00 53.18 -87.41 -0.13 85.14 0.02 14.84 0.21 0.86 83.96 14.47 0.48 0.00 0.00 0.01 62 G C T 60.58 1.03 19.17 18.50 95.17 -104.92 82.77 13.80 99.86 0.00 0.14 0.50 0.95 98.48 0.05 0.02 0.00 0.00 0.00 63 L C C 35.27 18.56 9.38 27.03 118.68 133.68 -96.83 136.00 99.17 0.79 0.04 95.21 3.95 0.12 0.01 0.01 0.00 0.29 0.41 64 L C C 112.25 3.00 22.16 25.27 115.00 -142.81 -97.49 128.55 98.66 1.32 0.02 95.52 3.24 0.08 0.00 0.01 0.00 0.94 0.21 65 P C C 47.93 19.28 12.38 30.53 114.27 -118.21 -67.44 142.17 92.31 7.57 0.12 90.72 1.66 0.23 0.02 0.08 0.00 6.17 1.12 66 L C C 92.00 7.58 19.20 27.46 99.97 -156.20 -87.99 -18.89 78.51 21.21 0.28 41.63 34.69 2.89 0.05 0.30 0.00 19.03 1.41 67 G E E 28.11 7.01 21.16 29.19 143.59 -46.58 163.32 174.49 28.19 71.61 0.21 19.59 7.69 1.56 0.04 0.19 0.00 70.07 0.87 68 V E E 56.80 18.12 14.05 31.24 125.88 -102.72 -123.42 139.84 15.56 84.17 0.27 14.31 0.91 0.20 0.12 0.16 0.00 81.45 2.85 69 E E E 104.06 6.67 19.25 27.20 125.58 -167.60 -122.11 142.81 26.39 72.88 0.73 21.07 4.40 1.50 0.27 0.52 0.00 69.86 2.38 70 G C C 37.42 7.91 15.39 24.34 119.80 24.43 109.31 124.06 61.75 37.11 1.14 39.83 17.36 4.97 0.18 1.04 0.00 35.58 1.05 71 E C C 109.87 7.20 14.37 22.83 116.56 -122.30 -97.55 132.86 77.66 18.85 3.49 49.98 17.62 9.99 0.57 3.37 0.00 16.14 2.33 72 N C T 120.61 3.51 14.12 19.22 100.58 -118.68 -68.92 -2.75 88.65 5.01 6.34 16.71 30.89 40.98 0.53 6.36 0.00 3.37 1.15 73 S C T 82.47 3.08 15.56 19.28 98.82 50.49 -89.83 1.49 91.78 2.21 6.01 17.28 31.83 42.10 0.49 6.29 0.00 1.28 0.73 74 A C S 34.04 12.67 12.52 25.88 125.06 93.75 -104.32 159.34 94.41 2.85 2.74 31.04 47.80 15.22 0.26 3.01 0.00 1.67 1.01 75 D C S 72.99 8.84 20.04 29.51 96.19 -131.23 -79.15 -21.18 97.39 2.33 0.28 4.72 80.51 12.20 0.01 0.25 0.00 2.16 0.15 76 W E E 39.98 17.28 18.34 35.78 134.85 27.60 -138.37 148.34 19.45 80.45 0.10 11.40 6.12 2.16 0.01 0.09 0.00 79.92 0.29 77 I E E 14.56 18.46 22.34 41.09 125.07 -164.26 -123.17 136.01 0.54 99.45 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.49 0.01 78 V E E 20.05 17.51 24.70 42.07 117.24 -152.97 -106.97 125.84 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 79 V E E 8.21 21.84 21.40 43.22 122.65 -169.95 -120.04 132.41 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 80 D E E 48.26 11.59 24.04 36.01 112.25 -142.75 -97.58 118.87 0.81 99.19 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.26 0.02 81 L E E 21.13 19.55 16.94 37.02 102.03 175.66 -111.14 24.61 36.07 63.88 0.05 32.60 1.72 0.20 0.01 0.03 0.00 65.02 0.43 82 G C T 37.89 5.92 20.98 27.61 106.05 -91.95 67.93 -103.50 99.17 0.60 0.23 1.56 39.61 58.08 0.01 0.22 0.00 0.44 0.07 83 D C T 85.25 7.54 20.25 28.18 99.38 9.05 -101.38 -10.92 99.42 0.39 0.19 1.04 39.92 58.53 0.01 0.17 0.00 0.30 0.03 84 V E E 19.63 19.17 17.61 36.76 128.55 65.14 -122.18 143.55 12.33 87.65 0.01 8.91 2.72 0.14 0.00 0.01 0.00 87.99 0.23 85 I E E 25.55 16.09 23.89 40.33 117.11 -147.40 -107.72 126.23 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 86 V E E 5.07 24.01 23.32 47.30 120.05 -167.20 -116.07 127.98 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 87 H E E 18.87 19.19 27.55 46.07 118.10 -162.87 -107.87 128.36 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 88 V E E 6.00 23.65 24.82 48.14 116.81 -159.15 -108.33 125.92 0.47 99.53 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.00 89 M E E 12.29 20.37 21.00 41.26 132.27 169.67 -126.53 154.33 4.85 95.14 0.00 4.29 0.33 0.00 0.00 0.00 0.00 95.20 0.18 90 Q C C 42.49 11.85 20.33 33.07 115.65 -104.31 -70.32 154.24 69.38 30.53 0.09 68.25 0.85 0.04 0.06 0.02 0.00 30.50 0.28 91 E H H 100.47 7.42 17.89 26.51 91.62 -110.87 -57.57 -39.15 5.75 0.05 94.20 0.91 0.80 3.81 87.74 6.68 0.02 0.03 0.01 92 E H H 115.68 2.12 20.66 21.92 91.55 52.97 -64.35 -38.98 4.04 0.02 95.94 0.53 0.37 2.83 89.32 6.92 0.01 0.01 0.00 93 S H H 15.61 14.97 14.69 30.62 92.39 49.18 -66.68 -39.16 2.35 0.01 97.64 0.42 0.23 1.44 89.97 7.92 0.00 0.01 0.00 94 R H H 68.96 14.95 14.56 29.35 92.00 54.90 -63.11 -40.95 2.37 0.02 97.61 0.63 0.29 1.33 93.23 4.50 0.00 0.01 0.01 95 R H H 148.91 2.02 19.65 21.18 91.81 51.21 -65.24 -39.52 6.67 0.04 93.29 0.75 0.51 5.05 87.38 6.26 0.02 0.02 0.01 96 L H H 81.66 5.39 17.38 23.65 92.75 50.71 -67.60 -37.66 10.41 0.06 89.53 1.21 0.91 7.97 85.01 4.80 0.03 0.03 0.02 97 Y H H 53.43 13.98 13.57 28.07 96.89 47.56 -83.97 -18.51 28.32 0.53 71.15 9.27 4.65 15.28 65.77 4.48 0.05 0.25 0.26 98 E H H 92.31 6.00 16.14 23.34 95.54 80.11 -64.98 -33.10 42.83 0.96 56.21 22.10 3.86 16.85 47.94 8.31 0.01 0.53 0.39 99 L H H 79.13 5.99 13.03 20.44 94.27 65.04 -67.04 -36.08 27.04 0.94 72.01 13.65 3.82 9.49 51.05 21.08 0.02 0.58 0.31 100 E H H 104.06 4.25 12.67 18.44 93.26 56.57 -67.33 -35.07 17.98 0.92 81.11 8.18 2.51 6.67 53.56 28.21 0.02 0.59 0.25 101 K H H 129.08 2.90 12.25 16.41 94.27 57.16 -69.53 -33.15 20.81 0.99 78.21 7.07 2.82 9.64 48.30 31.22 0.03 0.63 0.29 102 L H H 105.11 3.72 10.34 15.51 94.91 57.15 -71.49 -28.34 30.15 1.28 68.57 8.96 4.16 15.83 45.52 24.18 0.08 0.82 0.45 103 W C C 166.80 3.56 8.95 14.02 100.48 50.11 -90.53 -0.13 56.03 2.33 41.64 36.03 3.00 18.64 31.77 8.05 0.01 1.15 1.35 104 S C C 74.48 3.95 10.92 16.55 108.52 103.13 -82.83 103.30 99.92 0.06 0.02 99.82 0.06 0.06 0.01 0.00 0.00 0.03 0.00