# 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 81.14 10.52 13.16 24.53 122.81 -163.50 -109.64 139.78 99.30 0.68 0.02 99.28 0.18 0.05 0.01 0.00 0.00 0.44 0.05 1 Q E B 102.81 5.09 12.14 19.00 121.88 -161.16 -110.62 140.85 25.54 73.78 0.68 22.35 1.09 0.22 0.61 0.13 0.00 20.75 54.86 2 N C C 71.69 7.37 8.68 17.48 118.61 -139.91 -89.38 166.03 80.96 17.56 1.48 74.36 3.85 2.03 0.54 0.89 0.00 13.92 4.41 3 D C T 127.01 1.20 10.14 12.03 95.84 -89.65 -71.25 -15.40 89.13 5.70 5.17 6.88 13.21 69.06 0.57 4.78 0.01 4.47 1.03 4 A C T 82.08 1.73 9.85 12.41 96.13 55.37 -87.44 0.00 94.20 0.80 4.99 2.40 10.34 81.41 0.39 4.65 0.00 0.50 0.32 5 G C S 50.57 3.08 10.76 15.41 98.89 -103.68 85.46 5.90 94.19 2.93 2.89 15.86 65.83 12.54 0.30 2.58 0.00 1.92 0.98 6 E C C 108.45 3.79 10.84 16.64 118.87 133.73 -92.32 141.75 87.57 11.77 0.65 67.04 17.93 2.54 0.21 0.52 0.00 8.30 3.45 7 F E B 125.23 5.95 11.36 19.17 117.70 -139.64 -101.26 133.31 34.59 64.67 0.74 26.58 5.09 0.71 0.54 0.33 0.01 28.86 37.89 8 V C C 64.87 9.40 11.42 22.32 121.07 -161.54 -111.60 135.08 68.39 31.21 0.41 61.14 4.88 0.82 0.15 0.29 0.00 29.47 3.25 9 D C C 85.52 6.16 14.39 22.00 112.04 -137.79 -91.87 122.71 73.65 25.78 0.56 63.58 7.30 1.57 0.18 0.44 0.00 23.62 3.31 10 L C C 86.74 9.60 12.63 23.14 102.52 -166.29 -91.34 2.49 74.89 23.84 1.27 41.31 26.49 8.30 0.33 1.06 0.01 19.48 3.02 11 Y C C 129.44 6.78 14.82 22.70 109.49 98.61 -95.59 94.91 68.85 30.22 0.93 35.05 28.82 6.63 0.27 0.81 0.01 22.87 5.53 12 V C C 64.83 9.51 12.83 23.69 117.36 137.00 -107.27 123.82 72.59 27.14 0.26 47.68 25.23 0.92 0.09 0.21 0.00 22.49 3.37 13 P C C 68.74 7.50 14.56 23.50 112.30 -113.90 -67.10 143.53 76.17 21.44 2.39 66.73 5.78 2.58 0.68 1.82 0.00 18.39 4.02 14 R C C 137.72 7.47 13.04 21.67 101.75 -133.39 -77.46 -11.99 71.02 13.33 15.65 31.89 26.29 14.85 3.05 11.64 0.10 8.76 3.42 15 K C C 133.58 3.59 15.41 20.08 106.10 68.27 -87.36 36.59 60.76 23.11 16.14 27.53 21.48 14.75 3.39 11.56 0.23 15.16 5.90 16 C C C 61.14 9.89 11.65 22.45 111.90 56.88 -92.93 110.86 60.11 27.74 12.15 39.93 12.82 6.66 3.36 8.93 0.10 16.73 11.48 17 S C C 41.08 9.41 11.04 21.80 121.30 104.47 -103.75 151.12 73.88 23.03 3.09 59.72 8.89 3.48 1.50 1.71 0.01 11.53 13.15 18 A C T 87.10 2.88 13.31 17.24 95.20 -126.14 -70.97 -19.23 93.35 1.98 4.67 6.78 19.56 67.23 1.27 3.11 0.00 1.29 0.77 19 S C T 76.88 2.89 13.23 16.90 99.74 56.11 -89.17 -2.71 94.21 1.24 4.54 6.10 22.86 65.56 1.08 3.11 0.00 0.75 0.54 20 N C S 89.79 8.09 10.93 20.02 102.13 41.70 -80.28 34.01 90.32 5.68 4.01 36.07 45.18 9.30 1.25 2.61 0.01 2.93 2.66 21 R C C 142.53 4.28 13.83 19.69 112.33 147.13 -96.71 118.64 84.81 12.71 2.49 64.38 15.37 4.35 1.28 1.37 0.00 8.12 5.12 22 I C C 93.25 8.00 12.54 21.64 108.64 -117.38 -86.10 88.76 62.35 34.61 3.04 49.84 9.49 2.07 2.12 1.21 0.02 16.12 19.13 23 I C C 77.42 9.14 11.16 21.47 115.54 91.24 -100.30 126.85 71.87 24.06 4.06 50.12 16.77 4.18 2.58 1.83 0.06 15.75 8.70 24 A C C 62.34 4.22 13.09 18.47 119.92 -142.29 -96.07 156.86 75.14 18.46 6.40 46.45 20.19 8.93 3.00 3.46 0.06 10.37 7.53 25 A C T 77.41 4.26 10.78 16.70 99.19 -94.72 -67.79 -20.64 79.51 3.12 17.37 12.32 21.38 46.53 4.51 11.86 0.05 1.74 1.61 26 K C T 158.90 1.60 13.32 15.12 99.30 45.51 -83.63 -5.41 80.28 3.10 16.62 11.08 20.26 49.42 3.55 12.33 0.04 1.80 1.52 27 D C C 81.29 6.61 11.92 19.79 110.69 65.62 -99.19 94.37 69.50 14.35 16.15 27.56 23.08 21.24 3.59 10.94 0.18 7.11 6.30 28 H C C 93.78 9.58 12.70 22.98 111.70 -139.65 -96.29 114.45 67.40 17.36 15.24 40.77 12.86 14.14 3.71 11.24 0.05 10.32 6.90 29 A C C 51.79 9.30 15.13 25.24 103.14 116.74 -78.37 5.77 73.15 11.97 14.88 33.09 22.08 19.96 2.06 12.09 0.03 8.53 2.14 30 S C C 50.50 9.65 16.87 27.05 114.51 69.91 -96.25 127.87 60.51 27.64 11.85 34.30 14.31 13.48 1.48 9.78 0.02 25.08 1.55 31 I E E 55.05 13.21 16.08 29.93 120.46 132.50 -109.05 132.32 27.94 71.34 0.72 23.55 3.96 0.67 0.21 0.51 0.00 69.78 1.31 32 Q E E 85.48 10.15 18.12 28.93 121.57 -156.24 -111.32 134.21 7.84 92.09 0.07 7.39 0.43 0.05 0.05 0.03 0.00 90.45 1.60 33 M E E 56.53 14.37 16.02 30.78 125.60 -170.35 -121.73 138.37 9.10 90.87 0.03 8.66 0.41 0.03 0.01 0.02 0.00 90.25 0.62 34 N E E 74.23 8.71 19.27 28.76 112.04 -135.85 -89.74 122.40 10.34 89.64 0.02 9.40 0.71 0.06 0.01 0.01 0.00 89.39 0.42 35 V E E 42.62 15.02 16.02 31.15 105.57 -172.87 -103.54 -4.63 10.08 89.85 0.08 8.98 0.94 0.11 0.02 0.05 0.00 89.37 0.52 36 A E E 26.55 12.79 16.06 29.73 132.09 16.13 -134.35 155.59 9.12 90.82 0.06 7.63 1.23 0.10 0.02 0.04 0.00 90.76 0.23 37 E E E 106.78 5.25 20.05 26.00 117.24 -125.01 -95.71 134.23 4.54 95.43 0.03 3.75 0.66 0.08 0.00 0.02 0.00 95.34 0.15 38 V E E 44.43 14.42 10.20 25.04 121.13 -156.78 -110.91 135.32 3.58 96.39 0.03 3.25 0.34 0.02 0.02 0.01 0.00 88.57 7.78 39 D C C 65.60 4.61 12.58 19.32 108.14 -122.74 -79.19 119.47 83.77 16.20 0.02 84.40 0.45 0.07 0.01 0.01 0.00 14.44 0.64 40 R C T 167.74 3.33 10.31 15.98 92.92 -154.93 -65.82 -26.34 99.71 0.08 0.21 0.20 2.91 96.65 0.01 0.16 0.00 0.05 0.02 41 T C T 119.94 0.44 12.16 10.92 97.58 47.14 -76.89 -38.45 99.72 0.06 0.22 0.11 2.39 97.30 0.00 0.16 0.00 0.03 0.01 42 T C T 89.49 1.57 12.35 13.88 100.19 22.57 -103.99 -15.31 99.80 0.05 0.16 0.43 3.04 96.36 0.01 0.12 0.00 0.03 0.01 43 G C C 32.99 8.79 10.02 20.48 95.20 -121.89 77.42 8.66 99.34 0.45 0.22 76.27 7.87 15.20 0.05 0.15 0.00 0.32 0.14 44 R C C 128.20 2.94 16.13 20.18 119.72 138.28 -86.62 145.01 72.48 27.45 0.07 65.74 6.54 0.28 0.03 0.06 0.00 21.76 5.59 45 F E E 83.08 13.63 9.80 23.57 112.22 -112.42 -76.60 130.86 3.17 96.81 0.02 2.83 0.17 0.01 0.02 0.01 0.00 73.13 23.83 46 N E E 92.00 4.53 15.37 21.00 101.69 -168.93 -96.46 0.64 34.11 65.78 0.11 28.51 3.87 0.55 0.01 0.11 0.00 66.43 0.50 47 G E E 49.28 4.13 14.08 19.49 98.15 -106.11 83.04 2.03 47.50 52.15 0.35 12.84 30.09 3.90 0.01 0.41 0.00 52.35 0.40 48 Q E E 109.65 3.85 16.12 21.13 117.28 100.84 -96.56 132.91 42.62 56.95 0.43 26.09 12.86 2.66 0.04 0.44 0.00 57.51 0.40 49 F E E 89.15 14.45 11.99 26.15 124.62 -159.87 -117.81 140.36 23.57 76.36 0.06 19.91 2.69 0.15 0.01 0.05 0.00 76.80 0.39 50 K E E 92.15 8.56 19.31 28.66 126.80 -170.20 -125.36 141.29 3.05 96.95 0.01 2.82 0.12 0.01 0.00 0.00 0.00 96.95 0.10 51 T E E 56.13 14.36 18.15 32.30 121.79 -146.63 -105.53 136.77 1.18 98.81 0.00 1.12 0.03 0.00 0.00 0.00 0.00 98.81 0.04 52 Y E E 35.27 16.84 20.38 37.37 132.64 -174.11 -135.07 149.92 1.81 98.18 0.00 1.66 0.07 0.00 0.00 0.00 0.00 98.16 0.10 53 G E E 14.46 16.10 24.01 39.99 120.32 -135.78 -101.58 138.13 5.67 94.33 0.01 5.07 0.37 0.02 0.00 0.00 0.00 94.37 0.17 54 I E E 11.08 22.17 20.68 42.67 125.04 -164.89 -120.24 137.88 17.41 82.54 0.06 16.61 0.57 0.04 0.03 0.03 0.00 79.69 3.04 55 C C C 22.60 15.00 21.11 36.23 122.33 -139.23 -90.59 159.52 76.90 22.56 0.53 76.18 1.38 0.16 0.44 0.11 0.00 20.23 1.50 56 G H H 29.35 9.33 20.85 30.84 93.64 -103.85 -58.26 -41.27 5.85 0.04 94.12 0.64 1.09 4.14 91.65 2.42 0.02 0.02 0.01 57 A H H 48.41 5.68 21.79 28.00 91.64 51.59 -64.74 -37.88 2.06 0.02 97.92 0.20 0.22 1.60 95.43 2.52 0.01 0.01 0.00 58 I H H 15.10 19.02 14.88 34.05 92.20 50.82 -66.67 -40.86 1.15 0.02 98.83 0.17 0.13 0.80 95.58 3.31 0.00 0.01 0.00 59 R H H 83.92 14.57 14.90 29.13 91.50 53.39 -63.28 -40.26 2.41 0.03 97.56 0.36 0.24 1.70 94.53 3.12 0.01 0.02 0.01 60 R H H 174.30 1.46 17.98 19.09 91.24 52.91 -67.05 -30.58 15.68 0.06 84.26 0.70 0.90 14.41 81.19 2.70 0.05 0.03 0.04 61 M C T 108.11 4.66 15.47 21.04 94.11 52.82 -86.29 -5.16 61.10 0.13 38.78 1.07 3.12 56.07 37.70 1.85 0.04 0.04 0.12 62 G C T 45.06 5.10 17.08 23.35 97.55 -109.80 82.51 9.53 98.63 0.36 1.01 10.13 10.11 78.55 0.62 0.27 0.00 0.16 0.15 63 E C C 74.87 11.40 16.96 28.80 102.03 117.18 -93.86 35.80 96.97 0.91 2.12 89.50 5.17 2.39 1.45 0.50 0.00 0.36 0.64 64 S C C 24.83 18.49 16.56 34.10 97.78 99.83 -75.01 -39.87 78.50 0.76 20.74 64.80 7.61 4.51 20.97 1.38 0.00 0.25 0.48 65 D H H 67.65 12.72 21.23 33.15 93.08 54.38 -65.10 -39.57 13.52 0.10 86.38 4.74 3.34 5.77 84.83 1.21 0.01 0.03 0.05 66 D H H 75.74 4.54 24.75 29.19 92.24 51.73 -65.73 -40.10 3.68 0.01 96.30 1.10 0.50 1.88 95.72 0.79 0.00 0.01 0.01 67 S H H 13.94 15.84 20.50 36.71 91.98 51.16 -64.33 -42.98 1.44 0.01 98.55 0.51 0.17 0.70 97.95 0.67 0.00 0.00 0.00 68 I H H 10.55 23.05 20.77 43.02 91.65 49.38 -64.09 -43.02 0.35 0.00 99.65 0.08 0.03 0.20 99.54 0.15 0.00 0.00 0.00 69 L H H 55.01 11.59 22.94 34.63 91.59 50.43 -63.87 -41.95 0.17 0.00 99.83 0.03 0.01 0.10 99.82 0.05 0.00 0.00 0.00 70 R H H 111.48 4.57 25.19 29.63 91.60 50.02 -63.91 -42.36 0.16 0.00 99.84 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 71 L H H 20.15 15.99 20.02 36.54 91.91 49.32 -64.09 -43.30 0.13 0.00 99.87 0.01 0.01 0.09 99.84 0.04 0.00 0.00 0.00 72 A H H 7.83 17.98 16.07 34.88 91.75 50.14 -63.29 -43.10 0.20 0.00 99.80 0.03 0.01 0.13 99.76 0.08 0.00 0.00 0.00 73 K H H 116.89 4.27 18.49 23.63 91.98 48.56 -64.00 -41.61 0.38 0.00 99.62 0.03 0.01 0.30 99.46 0.20 0.00 0.00 0.00 74 A H H 73.12 3.80 17.18 21.74 91.24 51.60 -65.68 -32.78 2.75 0.00 97.25 0.05 0.06 2.80 96.83 0.26 0.00 0.00 0.00 75 D C T 66.75 9.11 13.65 23.99 93.12 48.33 -89.28 0.07 78.90 0.01 21.09 0.18 0.60 77.42 21.45 0.33 0.00 0.00 0.01 76 G C T 56.84 2.04 17.55 19.75 94.01 -115.06 75.55 16.16 99.84 0.01 0.15 0.42 1.25 98.25 0.06 0.02 0.00 0.00 0.00 77 I C S 54.58 12.18 14.78 27.86 97.21 121.82 -86.95 -24.19 98.28 1.62 0.09 18.64 78.81 1.21 0.04 0.04 0.00 0.78 0.47 78 V C S 27.58 17.35 11.31 28.57 130.73 33.47 -130.57 146.06 83.66 16.10 0.24 16.72 67.61 1.31 0.09 0.12 0.00 7.65 6.51 79 S C C 51.92 5.58 15.41 22.36 116.14 -108.57 -72.48 151.03 90.99 8.41 0.60 86.25 3.86 1.05 0.12 0.46 0.00 6.65 1.60 80 K C T 148.97 4.38 11.99 18.36 94.02 -114.26 -65.33 -23.47 94.20 3.93 1.87 23.57 31.97 38.77 0.21 1.92 0.00 2.71 0.85 81 N C C 125.44 1.42 13.54 15.06 99.72 60.85 -88.45 25.00 97.16 1.67 1.17 53.24 7.78 36.08 0.16 1.13 0.00 1.23 0.40 82 F C C 83.02 13.05 9.87 22.70 106.00 131.52 -81.29 50.69 99.71 0.28 0.02 99.58 0.18 0.04 0.00 0.00 0.00 0.15 0.04