# 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 75.63 10.65 20.76 31.31 115.89 -153.20 -95.19 130.43 99.76 0.24 0.00 99.77 0.06 0.01 0.00 0.00 0.00 0.16 0.00 1 V E E 20.00 20.08 15.38 35.22 123.22 -158.88 -114.70 135.12 17.04 82.95 0.01 17.36 0.18 0.01 0.00 0.00 0.00 82.10 0.35 2 V E E 41.26 10.14 23.31 34.51 120.28 -158.77 -113.18 130.47 3.20 96.80 0.00 2.89 0.14 0.00 0.00 0.00 0.00 96.91 0.05 3 I E E 14.77 22.90 17.63 40.52 118.81 -162.55 -109.20 128.64 0.65 99.35 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 4 R E E 72.61 10.72 25.43 36.40 124.11 -170.47 -116.78 135.66 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.00 5 L E E 22.49 22.01 18.31 39.79 121.11 -157.15 -107.99 133.60 0.68 99.32 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.37 0.00 6 A E E 26.68 11.56 22.55 34.88 133.56 -174.82 -132.10 154.02 0.52 99.48 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 7 R E E 108.37 12.59 18.28 30.72 119.18 -126.57 -95.28 137.42 2.02 97.97 0.01 1.81 0.08 0.01 0.00 0.00 0.00 98.02 0.07 8 G E E 20.72 11.97 16.26 28.98 134.08 171.44 -140.90 174.26 21.60 78.34 0.06 18.43 2.22 0.25 0.01 0.04 0.00 78.71 0.34 9 G E E 37.40 4.93 15.90 22.31 129.90 36.32 120.18 -173.80 46.84 53.00 0.16 31.36 15.06 1.45 0.02 0.18 0.00 51.05 0.89 10 A C C 63.44 5.40 12.53 19.58 123.20 -71.17 -113.16 153.98 61.93 37.33 0.75 44.13 15.84 2.69 0.19 0.73 0.00 31.70 4.72 11 K C T 159.83 2.02 11.77 14.96 103.35 -73.60 -62.85 61.31 97.49 0.91 1.60 2.79 41.64 53.12 0.06 1.60 0.00 0.59 0.21 12 K C T 175.59 0.86 13.64 13.85 96.04 4.10 40.11 4.28 97.82 0.59 1.59 2.83 41.22 53.71 0.05 1.68 0.00 0.39 0.13 13 R C S 119.16 5.55 13.44 20.53 114.97 62.02 -121.69 104.66 66.93 32.65 0.42 18.78 45.90 2.95 0.05 0.44 0.00 29.69 2.19 14 P C C 44.40 12.05 14.39 27.69 114.98 -142.92 -69.56 141.92 57.92 42.03 0.05 52.37 2.48 0.28 0.01 0.04 0.00 44.46 0.35 15 F E E 41.29 13.30 18.95 33.36 129.91 -173.98 -126.80 147.95 4.44 95.56 0.00 3.78 0.31 0.01 0.00 0.00 0.00 95.78 0.12 16 Y E E 33.18 18.38 19.49 37.73 125.74 -151.78 -117.46 141.25 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.01 17 Q E E 30.41 15.46 24.00 39.49 129.73 -170.60 -129.40 144.03 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 18 V E E 9.82 22.06 21.61 43.73 118.54 -147.79 -107.50 129.41 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 19 V E E 14.26 17.44 24.86 42.39 125.20 -170.36 -120.28 139.64 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 20 V E E 13.91 19.57 22.95 42.56 117.82 -149.91 -106.93 128.24 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 21 A E E 9.93 16.12 19.05 36.26 134.00 176.61 -133.79 156.46 6.88 93.10 0.02 6.35 0.31 0.02 0.01 0.00 0.00 92.97 0.34 22 D E E 47.88 9.70 18.73 29.36 114.47 -111.91 -80.50 150.64 44.81 54.70 0.49 32.90 11.91 1.25 0.11 0.38 0.00 52.22 1.23 23 Q C T 106.60 7.88 15.75 24.43 94.87 -99.03 -64.69 -27.01 86.82 2.28 10.90 4.50 37.77 45.82 1.50 8.09 0.03 1.53 0.77 24 R C T 165.97 2.37 16.23 18.82 96.77 49.68 -81.30 -16.33 85.39 1.61 13.00 6.42 36.20 43.46 1.75 10.47 0.02 0.92 0.75 25 R C C 110.68 7.82 12.60 21.53 116.41 50.59 -111.34 120.49 79.90 8.49 11.61 37.83 33.77 8.68 2.77 8.27 0.02 3.54 5.11 26 A C C 44.68 9.02 12.22 22.56 113.91 -116.75 -70.76 152.37 90.74 4.16 5.11 81.38 4.36 4.87 1.67 3.26 0.00 2.07 2.39 27 R C T 148.22 6.50 12.78 20.78 94.85 -106.26 -66.73 -26.91 90.80 1.35 7.86 7.04 13.88 69.27 1.10 7.19 0.00 0.77 0.73 28 D C T 112.99 1.83 16.01 17.76 96.65 49.45 -86.75 2.56 91.29 0.62 8.09 3.15 13.29 74.65 0.88 7.31 0.00 0.35 0.37 29 G C S 32.72 11.37 12.96 24.55 101.05 -103.63 82.34 6.32 92.42 3.13 4.44 41.10 42.28 9.00 0.64 4.01 0.00 1.78 1.19 30 R C C 119.65 5.99 18.20 25.21 114.79 131.28 -88.92 130.44 88.01 10.63 1.35 76.06 9.95 1.84 0.42 1.06 0.00 8.32 2.34 31 Y E E 81.49 15.80 13.76 29.07 115.43 -131.42 -86.05 131.59 38.46 60.56 0.98 35.64 1.81 0.43 0.38 0.69 0.00 55.74 5.30 32 I E E 69.33 11.29 18.42 30.20 100.84 -169.52 -93.74 -32.45 33.08 64.55 2.37 18.85 13.94 1.18 0.29 1.76 0.00 63.59 0.39 33 E E E 73.43 8.85 22.22 31.42 139.03 -3.24 -152.26 152.86 7.85 90.50 1.65 5.72 1.63 0.55 0.32 1.25 0.00 90.30 0.23 34 N E E 73.93 13.85 19.29 32.51 111.79 -122.69 -86.78 121.72 4.66 94.70 0.63 4.49 0.31 0.11 0.26 0.34 0.00 94.24 0.25 35 I E E 20.03 19.28 18.70 38.16 100.61 175.98 -99.85 -22.45 5.57 94.32 0.11 4.26 1.26 0.17 0.03 0.06 0.00 94.12 0.11 36 G E E 7.73 13.69 22.33 36.91 144.81 -50.44 160.45 176.73 2.75 97.23 0.03 2.10 0.54 0.09 0.00 0.02 0.00 97.19 0.06 37 F E E 62.54 13.89 22.71 36.80 133.21 -91.49 -137.53 149.62 1.97 98.01 0.02 1.79 0.15 0.02 0.00 0.01 0.00 97.87 0.15 38 F E E 36.99 18.42 18.44 36.82 119.45 -143.10 -108.77 131.35 7.00 92.97 0.03 6.26 0.58 0.04 0.02 0.01 0.00 91.23 1.85 39 N C C 37.68 11.55 18.67 31.59 111.35 -163.75 -117.40 104.60 87.38 12.47 0.15 85.17 1.80 0.18 0.04 0.09 0.00 12.27 0.44 40 P C T 57.03 10.51 15.91 27.88 93.94 -165.87 -66.47 -23.94 73.78 2.87 23.35 14.08 13.95 46.25 5.86 16.99 0.02 2.02 0.84 41 L C T 104.60 4.03 16.65 21.31 96.81 57.35 -83.09 -10.13 71.16 2.55 26.29 11.85 16.11 43.33 7.49 18.32 0.06 1.41 1.42 42 A C C 39.23 11.41 9.46 21.62 108.54 93.31 -80.10 110.68 70.13 3.27 26.60 39.32 17.19 13.78 7.20 19.12 0.02 1.59 1.78 43 K C C 134.03 4.09 12.15 17.73 108.78 -152.93 -89.01 99.96 79.95 1.81 18.24 36.98 18.49 25.17 7.31 10.05 0.01 0.79 1.20 44 E C T 146.31 2.09 12.33 15.36 102.10 10.50 -74.61 20.00 83.49 0.84 15.67 24.96 24.35 34.77 5.22 9.68 0.00 0.35 0.65 45 S C C 73.21 4.74 10.97 17.18 106.35 51.15 -88.34 54.07 79.42 1.17 19.41 35.90 21.80 21.99 4.51 14.50 0.00 0.51 0.79 46 E C C 119.58 5.34 12.24 18.98 101.20 115.74 -77.97 -11.14 68.24 2.12 29.64 26.96 20.59 21.82 4.76 23.83 0.01 1.11 0.94 47 E C C 110.96 6.28 14.71 22.11 108.15 66.51 -89.12 78.05 64.15 6.91 28.95 36.53 11.89 16.94 4.33 23.86 0.01 5.27 1.17 48 A C C 43.03 11.05 15.32 27.19 115.97 69.95 -96.21 134.01 64.26 18.61 17.13 49.71 9.30 5.89 4.16 12.40 0.01 16.45 2.07 49 V E E 27.60 18.51 14.71 33.01 120.61 -152.44 -109.34 132.83 45.43 52.85 1.71 40.74 3.56 0.82 1.12 0.73 0.00 50.18 2.83 50 R E E 127.15 6.61 23.13 30.90 121.22 -160.96 -112.81 133.53 21.14 78.26 0.61 19.08 1.31 0.26 0.53 0.21 0.00 72.40 6.21 51 L E E 18.60 23.25 12.55 35.36 118.80 -144.90 -95.05 135.01 36.54 63.11 0.35 35.73 1.10 0.12 0.31 0.10 0.00 55.98 6.66 52 N C C 70.47 6.79 21.05 28.56 106.22 -127.96 -84.56 108.75 89.06 10.53 0.40 89.05 0.72 0.10 0.33 0.05 0.00 9.12 0.62 53 M H H 77.30 13.34 14.60 28.31 93.72 -163.50 -63.55 -35.88 1.25 0.00 98.74 0.37 0.13 0.56 98.69 0.26 0.00 0.00 0.00 54 E H H 130.97 1.51 21.22 21.35 91.55 54.23 -63.62 -40.59 0.29 0.00 99.71 0.04 0.02 0.18 99.57 0.20 0.00 0.00 0.00 55 A H H 24.83 12.01 17.61 30.76 91.95 49.60 -65.38 -41.12 0.12 0.00 99.88 0.02 0.01 0.07 99.72 0.18 0.00 0.00 0.00 56 Y H H 13.34 22.55 14.45 36.84 91.74 50.67 -63.52 -42.98 0.06 0.00 99.94 0.01 0.00 0.03 99.91 0.05 0.00 0.00 0.00 57 H H H 103.39 4.95 21.71 26.96 91.60 51.01 -63.00 -41.28 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 58 A H H 48.95 3.87 20.85 24.85 91.43 50.72 -63.71 -42.50 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 59 W H H 22.87 18.20 15.26 33.86 92.21 49.21 -64.66 -42.73 0.35 0.00 99.65 0.02 0.01 0.26 99.57 0.14 0.00 0.00 0.00 60 I H H 54.34 14.79 14.96 29.62 91.84 50.43 -63.90 -40.44 1.08 0.00 98.91 0.05 0.04 0.92 98.54 0.45 0.00 0.00 0.00 61 A H H 88.08 1.50 17.77 18.93 89.68 56.27 -65.97 -24.73 10.75 0.01 89.24 0.20 0.28 10.81 88.12 0.57 0.01 0.00 0.01 62 K C T 121.25 4.59 15.27 21.08 93.32 53.87 -88.63 0.79 87.28 0.03 12.69 0.27 1.23 85.21 12.77 0.49 0.00 0.01 0.03 63 G C T 49.03 3.04 18.92 22.20 100.19 -96.83 93.80 8.27 98.81 0.02 1.18 1.55 1.50 95.42 1.44 0.06 0.00 0.01 0.01 64 A C C 18.07 19.98 9.95 29.22 117.18 152.68 -73.52 143.43 97.94 1.99 0.07 97.11 1.00 0.13 0.03 0.02 0.00 1.35 0.36 65 Q C C 124.57 2.78 23.58 26.55 116.56 -142.45 -103.05 128.70 80.84 19.12 0.04 80.83 1.27 0.07 0.02 0.02 0.00 15.97 1.82 66 P C C 38.44 20.93 11.78 31.31 116.99 -123.75 -70.65 147.74 75.28 24.65 0.07 76.30 0.89 0.05 0.04 0.02 0.00 17.28 5.42 67 S C C 37.91 8.33 16.10 25.91 120.34 -116.69 -75.83 162.91 97.00 2.85 0.14 96.92 0.58 0.05 0.10 0.02 0.00 1.63 0.72 68 D H H 121.58 1.36 16.90 18.17 90.83 -104.90 -60.16 -35.65 1.45 0.00 98.55 0.20 0.23 0.81 98.56 0.19 0.00 0.00 0.00 69 R H H 132.28 3.95 18.56 23.21 91.76 52.93 -64.29 -40.83 0.65 0.00 99.34 0.08 0.05 0.42 99.28 0.18 0.00 0.00 0.00 70 V H H 13.56 20.37 14.44 34.68 92.05 47.73 -65.68 -42.11 0.19 0.00 99.81 0.03 0.01 0.10 99.76 0.10 0.00 0.00 0.00 71 A H H 31.81 10.91 17.82 29.87 91.38 52.20 -62.35 -42.06 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 72 S H H 60.63 2.17 23.06 23.56 91.47 50.39 -64.02 -41.58 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 73 L H H 36.64 12.04 19.58 32.54 91.75 49.91 -64.24 -42.74 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 74 V H H 15.63 19.39 17.15 36.53 91.75 49.72 -63.53 -42.66 0.27 0.00 99.73 0.04 0.01 0.15 99.76 0.03 0.00 0.00 0.00 75 R H H 128.26 4.12 21.98 26.51 91.65 50.55 -63.17 -41.62 0.50 0.00 99.50 0.08 0.03 0.28 99.55 0.06 0.00 0.00 0.00 76 A H H 54.08 3.63 21.28 24.75 91.84 49.71 -64.76 -41.12 0.82 0.00 99.17 0.12 0.05 0.50 99.23 0.10 0.00 0.00 0.00 77 Y H H 59.15 13.05 17.29 30.90 92.40 49.34 -65.96 -40.51 1.01 0.00 98.99 0.22 0.08 0.53 99.02 0.14 0.00 0.00 0.00 78 N H H 68.13 9.57 17.83 28.01 91.82 52.12 -64.02 -40.95 1.30 0.01 98.70 0.32 0.11 0.68 98.69 0.19 0.00 0.00 0.00 79 K H H 124.80 1.89 19.98 20.86 92.07 50.00 -64.57 -40.84 1.95 0.01 98.04 0.43 0.18 1.11 98.01 0.27 0.00 0.00 0.00 80 A H H 49.22 4.37 17.08 22.44 92.40 50.21 -65.20 -40.44 3.25 0.02 96.72 0.86 0.36 1.74 96.64 0.38 0.00 0.01 0.01 81 A H H 37.56 7.91 13.94 23.68 92.42 52.01 -65.13 -39.74 6.58 0.06 93.35 2.30 0.84 3.21 92.90 0.70 0.01 0.03 0.02 82 T H H 76.61 2.92 15.59 19.07 92.65 50.79 -66.07 -39.47 11.28 0.14 88.58 4.36 1.51 5.11 87.87 1.02 0.01 0.06 0.05 83 T H H 85.35 1.79 14.61 16.19 93.21 50.67 -67.19 -38.30 16.34 0.28 83.38 7.66 2.67 6.03 81.96 1.43 0.01 0.13 0.10 84 T H H 79.33 3.38 12.31 16.82 94.46 51.51 -69.32 -35.87 23.03 0.46 76.52 11.93 3.73 7.62 74.51 1.81 0.01 0.21 0.17 85 E H H 126.44 2.56 11.50 15.19 94.80 53.86 -69.91 -32.66 29.80 0.61 69.60 15.08 4.92 10.27 66.86 2.33 0.01 0.27 0.25 86 A H H 83.44 1.59 10.23 12.66 96.50 56.43 -74.47 -24.72 41.64 0.88 57.48 21.57 6.42 14.10 54.69 2.42 0.02 0.37 0.40 87 T C C 102.17 1.86 9.02 12.07 101.13 61.37 -83.94 -7.17 64.10 0.67 35.23 44.31 1.97 16.12 35.18 1.77 0.00 0.27 0.38 88 A C C 79.68 3.06 10.60 15.24 103.88 78.03 -76.86 26.53 99.89 0.02 0.09 99.74 0.07 0.11 0.06 0.00 0.00 0.01 0.00