# 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 124.12 4.31 11.44 17.44 117.32 -156.94 -102.63 129.78 99.83 0.16 0.01 99.81 0.07 0.02 0.00 0.00 0.00 0.08 0.01 1 V C C 99.66 4.53 8.26 14.71 117.09 -156.57 -102.88 131.66 86.21 11.45 2.33 84.31 0.88 1.68 1.08 0.72 0.00 8.73 2.60 2 E C C 149.49 1.41 9.22 11.90 115.56 -146.86 -95.53 129.63 80.91 15.53 3.56 65.85 8.63 5.72 1.43 2.04 0.00 13.18 3.15 3 L C C 116.35 4.39 6.90 13.12 114.60 -143.57 -91.91 131.42 84.94 11.96 3.10 67.38 13.20 4.03 1.34 1.80 0.00 9.31 2.94 4 K C C 143.45 2.22 9.60 13.56 117.76 -143.26 -94.66 139.46 92.27 5.94 1.79 74.29 16.91 1.37 1.14 0.65 0.00 4.06 1.59 5 P C C 97.79 3.45 9.28 14.54 113.16 -105.34 -66.44 145.81 83.58 3.48 12.94 74.58 4.85 4.69 6.92 5.57 0.00 2.48 0.91 6 S C C 81.20 3.53 8.59 13.85 109.64 -117.90 -80.38 140.99 70.72 2.22 27.06 48.80 10.19 11.52 13.50 13.82 0.00 1.31 0.86 7 S C C 86.09 2.40 9.06 12.96 106.33 -142.43 -89.51 60.88 58.28 3.53 38.19 34.63 11.81 11.59 19.63 19.00 0.03 2.07 1.25 8 A C C 78.35 3.28 8.86 13.89 109.53 77.60 -88.91 111.12 53.48 4.68 41.84 35.10 10.60 7.73 22.14 20.18 0.02 2.96 1.27 9 I C C 118.56 3.59 8.85 14.32 112.15 -145.39 -92.51 121.01 56.45 8.64 34.91 39.68 8.78 7.69 21.86 13.74 0.04 5.92 2.28 10 Q C C 122.78 3.62 9.48 15.09 115.81 -156.85 -98.26 130.16 63.77 11.98 24.25 44.40 10.74 8.07 16.69 8.28 0.07 7.48 4.27 11 R C C 161.03 3.12 10.11 15.20 114.66 -153.38 -100.35 127.61 80.97 7.62 11.41 53.37 21.50 5.91 8.92 2.95 0.02 3.86 3.48 12 G C C 36.69 6.18 9.45 17.17 121.49 -127.35 -81.96 168.24 87.04 2.51 10.45 61.64 15.74 9.60 4.88 5.62 0.00 1.37 1.16 13 P C C 106.06 2.41 11.60 15.13 102.54 -87.89 -71.24 50.49 76.20 2.31 21.49 40.17 14.27 21.96 5.87 15.39 0.01 1.18 1.14 14 L C C 108.63 4.25 9.33 15.21 108.95 73.82 -88.47 103.04 68.68 5.67 25.65 28.43 18.71 23.25 6.49 17.38 0.10 2.63 3.01 15 N C C 103.59 4.30 10.18 16.09 108.14 -126.01 -88.81 103.97 74.25 5.21 20.54 40.62 17.92 16.16 5.45 14.48 0.02 2.42 2.93 16 K C T 138.74 3.41 9.42 14.65 108.10 -150.66 -86.12 107.49 79.35 3.89 16.76 28.74 16.56 35.06 3.86 11.79 0.02 1.82 2.15 17 G C T 55.02 2.82 9.91 14.29 104.89 -45.46 45.38 14.60 83.83 1.97 14.20 20.86 19.05 43.92 2.32 11.71 0.01 0.96 1.17 18 G C C 54.33 2.46 9.79 13.71 107.15 -77.61 81.65 10.84 82.67 2.88 14.45 33.81 21.27 27.42 1.98 12.57 0.00 1.26 1.69 19 W C C 182.43 2.94 8.66 13.19 106.34 116.67 -89.12 45.05 86.05 3.47 10.48 32.20 23.45 30.57 1.70 8.65 0.01 1.59 1.83 20 D C C 118.01 1.61 10.04 12.65 104.04 72.79 -91.60 29.59 88.95 3.87 7.19 35.24 30.47 23.28 1.26 5.96 0.00 1.75 2.04 21 A C C 65.22 4.28 8.39 14.49 119.27 103.12 -93.03 146.67 90.19 3.68 6.13 46.50 36.85 6.75 1.53 4.43 0.00 1.56 2.37 22 P C C 106.02 2.17 10.29 13.82 108.41 -102.27 -70.21 137.66 79.47 2.61 17.93 38.75 16.36 24.74 3.95 13.61 0.00 1.29 1.30 23 H C C 131.04 4.14 9.14 15.06 112.68 -131.81 -93.22 125.23 75.68 3.76 20.57 43.07 12.58 20.06 5.25 15.28 0.01 1.96 1.78 24 A C C 74.17 4.10 10.18 16.04 111.11 -153.64 -87.87 129.38 69.26 6.20 24.55 43.85 14.77 10.55 7.76 16.91 0.02 3.23 2.91 25 L C C 108.61 5.22 9.28 16.31 112.67 -140.67 -91.19 126.62 66.63 9.60 23.77 41.87 14.70 10.35 8.23 15.39 0.04 5.07 4.35 26 H C C 125.56 4.24 12.05 17.99 114.86 -150.45 -98.88 126.24 77.91 6.21 15.89 53.74 14.81 9.33 5.88 10.04 0.01 3.52 2.66 27 N C C 108.56 4.50 12.73 19.05 112.73 -130.92 -88.08 126.02 86.06 4.30 9.64 60.31 17.44 7.86 4.55 5.06 0.00 1.88 2.90 28 D C C 54.90 10.00 10.17 21.47 110.19 -150.23 -97.55 109.00 98.58 0.51 0.91 92.10 6.10 0.31 0.85 0.10 0.00 0.14 0.40 29 G H H 43.74 3.11 15.62 19.59 93.44 -154.72 -63.05 -32.50 3.72 0.01 96.27 0.58 0.47 2.30 96.23 0.41 0.00 0.00 0.00 30 A H H 47.21 6.24 14.37 22.02 92.48 54.39 -65.17 -40.53 1.50 0.00 98.50 0.17 0.12 1.07 98.32 0.32 0.00 0.00 0.00 31 I H H 63.41 7.67 14.16 23.36 92.42 49.45 -65.82 -41.08 0.34 0.00 99.66 0.07 0.02 0.19 99.53 0.19 0.00 0.00 0.00 32 D H H 73.11 3.52 16.20 20.53 91.90 50.65 -63.81 -41.86 0.10 0.00 99.90 0.03 0.01 0.05 99.87 0.05 0.00 0.00 0.00 33 R H H 123.12 3.47 16.88 20.70 92.05 50.21 -64.15 -41.69 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 34 Y H H 93.84 6.82 15.45 23.44 92.14 49.83 -64.58 -41.49 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 35 A H H 46.22 4.42 15.76 21.50 91.80 51.18 -63.52 -41.11 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 36 H H H 104.64 2.49 16.81 19.32 91.83 50.29 -64.70 -41.01 0.30 0.00 99.70 0.01 0.01 0.24 99.64 0.09 0.00 0.00 0.00 37 W H H 107.92 6.42 14.13 21.93 92.30 50.82 -65.21 -40.62 0.62 0.00 99.38 0.04 0.02 0.49 99.12 0.33 0.00 0.00 0.00 38 R H H 121.14 5.58 14.74 21.37 92.57 50.23 -66.11 -38.11 1.72 0.00 98.28 0.10 0.07 1.44 97.28 1.11 0.00 0.00 0.00 39 T H H 84.52 2.12 15.69 17.64 93.66 48.94 -71.04 -31.60 9.44 0.01 90.55 0.24 0.35 8.97 88.93 1.49 0.01 0.00 0.00 40 F H H 102.57 4.19 13.78 19.23 100.23 39.97 -100.48 -4.28 40.50 0.07 59.44 3.35 2.39 33.30 57.95 2.91 0.02 0.02 0.06 41 Y H H 90.53 9.53 10.86 21.62 92.80 93.80 -62.86 -38.62 9.69 0.09 90.22 2.01 1.09 5.98 72.86 17.95 0.02 0.05 0.04 42 Q H H 109.90 3.72 12.95 18.12 92.13 56.56 -67.07 -29.97 6.10 0.05 93.86 0.69 0.48 4.18 71.95 22.64 0.01 0.03 0.01 43 E H H 132.79 1.80 14.70 16.57 94.48 50.20 -77.97 -28.55 7.41 0.04 92.55 0.60 0.56 5.41 73.16 20.20 0.02 0.02 0.01 44 R H H 136.10 4.17 13.34 18.57 101.80 33.85 -101.57 -14.14 19.37 0.17 80.46 2.13 2.93 14.28 70.20 10.14 0.14 0.07 0.12 45 F C C 85.05 9.67 9.68 20.48 120.13 56.62 -113.85 133.06 74.05 4.63 21.33 39.89 23.69 11.07 16.87 3.25 0.07 1.32 3.84 46 K C C 119.57 3.54 14.36 19.25 117.53 -144.71 -97.09 136.08 92.84 3.72 3.44 77.81 9.84 4.77 2.41 1.08 0.00 1.77 2.31 47 Y C C 127.03 8.65 10.66 20.60 110.25 -115.90 -77.52 123.60 91.60 6.03 2.37 75.66 12.48 2.45 1.60 0.84 0.00 2.15 4.84 48 T C C 65.08 3.25 13.92 18.32 128.95 164.12 -120.48 167.53 96.46 2.37 1.17 74.04 21.37 0.58 1.10 0.18 0.00 0.54 2.19 49 R H H 173.22 1.92 12.50 15.50 91.35 -99.26 -59.91 -36.60 17.15 0.05 82.81 0.84 2.21 13.92 81.69 1.24 0.05 0.01 0.03 50 A H H 70.67 1.95 14.34 16.32 92.61 51.83 -66.02 -39.58 17.68 0.03 82.28 0.74 1.33 15.32 81.14 1.40 0.04 0.01 0.02 51 T H H 44.02 7.10 12.65 21.67 93.31 47.18 -68.41 -38.89 9.51 0.08 90.41 1.22 0.89 7.01 89.35 1.42 0.03 0.03 0.05 52 G H H 24.95 7.15 13.15 22.29 91.72 53.84 -62.69 -42.15 1.37 0.01 98.62 0.41 0.15 0.67 98.44 0.33 0.00 0.00 0.00 53 K H H 115.73 2.51 17.33 19.77 91.90 50.10 -64.84 -41.39 0.67 0.00 99.33 0.12 0.05 0.37 99.29 0.16 0.00 0.00 0.00 54 S H H 53.44 3.59 16.94 21.14 92.10 49.53 -64.97 -41.79 0.55 0.00 99.45 0.07 0.03 0.34 99.43 0.12 0.00 0.00 0.00 55 T H H 48.92 6.49 14.74 22.91 92.06 49.76 -64.31 -42.19 0.70 0.00 99.30 0.07 0.04 0.51 99.27 0.11 0.00 0.00 0.00 56 L H H 81.06 4.29 15.85 20.99 91.95 49.23 -64.42 -41.92 0.69 0.00 99.31 0.04 0.04 0.58 99.19 0.14 0.00 0.00 0.00 57 I H H 96.09 2.49 16.03 18.62 92.23 48.03 -65.59 -41.97 1.12 0.01 98.87 0.04 0.05 1.09 98.57 0.23 0.02 0.00 0.00 58 F H H 119.68 3.05 15.73 19.07 94.43 41.51 -70.86 -40.20 2.90 0.00 97.10 0.04 0.09 3.09 96.43 0.33 0.03 0.00 0.00 59 L H H 92.01 3.92 15.48 19.93 98.05 35.20 -79.18 -40.31 18.43 0.02 81.55 0.08 0.42 19.86 78.96 0.58 0.08 0.00 0.02 60 V C T 80.54 3.71 15.45 19.83 100.28 31.54 -86.18 -40.37 77.00 0.05 22.96 0.18 1.83 73.83 23.54 0.54 0.01 0.01 0.05 61 A H H 56.45 3.10 15.80 19.43 96.09 41.20 -73.05 -42.33 15.04 0.05 84.91 0.37 1.33 13.72 83.82 0.61 0.10 0.01 0.05 62 F H H 104.46 2.88 16.50 19.61 92.18 48.88 -64.72 -43.16 1.89 0.00 98.11 0.16 0.17 1.38 97.77 0.52 0.00 0.00 0.00 63 P H H 59.23 4.73 15.40 21.49 91.59 49.14 -64.26 -40.66 1.25 0.00 98.74 0.16 0.07 0.88 98.00 0.88 0.00 0.00 0.00 64 A H H 53.99 4.05 15.91 20.86 91.92 50.39 -64.40 -41.40 0.42 0.00 99.58 0.04 0.02 0.29 98.98 0.67 0.00 0.00 0.00 65 L H H 93.80 2.18 17.50 19.12 91.90 49.76 -64.55 -41.66 0.24 0.00 99.76 0.02 0.01 0.16 99.64 0.17 0.00 0.00 0.00 66 I H H 92.60 2.75 17.21 19.91 91.93 49.12 -64.65 -41.70 0.23 0.00 99.77 0.02 0.01 0.17 99.69 0.11 0.00 0.00 0.00 67 G H H 30.26 5.45 14.92 21.80 92.08 50.41 -63.65 -41.51 0.30 0.00 99.70 0.02 0.01 0.24 99.61 0.12 0.00 0.00 0.00 68 Y H H 121.12 3.10 16.36 19.85 91.82 49.92 -63.92 -41.84 0.35 0.00 99.65 0.02 0.02 0.29 99.51 0.16 0.00 0.00 0.00 69 V H H 82.43 1.95 16.97 18.23 91.77 49.10 -64.33 -41.77 0.59 0.00 99.41 0.05 0.04 0.47 99.22 0.22 0.00 0.00 0.00 70 A H H 48.00 3.87 14.09 19.36 92.04 50.79 -63.86 -41.56 1.31 0.01 98.68 0.15 0.11 0.98 98.20 0.54 0.00 0.00 0.00 71 Y H H 111.16 4.74 13.36 19.35 92.89 49.05 -66.28 -40.33 3.75 0.04 96.21 0.48 0.36 2.85 95.24 1.02 0.02 0.02 0.01 72 Q H H 115.88 2.21 14.04 16.58 93.43 48.85 -69.24 -35.96 7.51 0.04 92.45 0.76 0.71 5.86 91.50 1.10 0.02 0.02 0.02 73 S H H 73.29 1.98 13.22 15.32 96.83 46.71 -80.93 -25.87 20.17 0.18 79.65 2.30 2.96 15.47 77.32 1.65 0.10 0.07 0.12 74 E C T 114.77 3.50 11.92 16.58 97.73 51.15 -81.75 -5.14 62.74 0.37 36.89 4.14 7.26 49.91 34.90 3.31 0.06 0.14 0.30 75 G C T 45.00 4.80 13.25 19.46 96.81 -77.35 74.57 4.71 73.12 0.30 26.58 8.19 7.46 56.81 21.86 5.31 0.01 0.13 0.24 76 L C C 89.96 5.23 13.09 19.84 96.63 117.81 -74.83 -22.17 59.80 1.37 38.83 25.84 12.97 22.02 24.22 13.41 0.04 0.61 0.89 77 F C C 100.20 8.47 11.95 21.44 106.55 59.76 -95.15 48.39 56.71 3.62 39.67 26.75 13.15 17.80 23.45 15.04 0.14 1.85 1.83 78 E C C 116.71 3.97 15.47 20.43 109.12 99.61 -88.46 110.59 62.17 3.80 34.02 42.71 8.92 10.37 20.61 13.57 0.01 2.17 1.64 79 F C C 101.66 9.86 11.18 21.79 99.72 57.73 -87.78 1.87 57.69 4.85 37.45 33.66 9.56 14.88 20.01 16.83 0.07 2.50 2.51 80 A C T 71.73 4.54 12.72 18.89 106.43 112.20 -72.56 110.76 68.11 1.91 29.98 8.82 8.86 48.92 15.50 15.43 0.12 1.03 1.33 81 G C T 51.36 3.61 14.44 18.55 99.69 19.07 80.68 0.37 78.00 1.09 20.91 10.89 12.03 54.86 7.92 12.98 0.02 0.60 0.70 82 K C C 93.27 9.53 8.77 19.29 117.89 116.42 -84.28 143.58 90.03 3.56 6.41 67.59 17.57 4.21 3.46 2.92 0.00 1.41 2.84 83 R C C 152.72 2.47 12.92 16.67 121.52 -143.95 -100.60 150.60 86.41 9.73 3.86 70.00 10.45 3.24 2.29 1.40 0.00 2.54 10.08 84 R C T 180.86 2.35 10.43 14.66 108.88 -89.08 -60.40 131.33 95.68 0.84 3.48 4.40 7.07 84.34 1.28 1.88 0.00 0.42 0.61 85 G C T 65.36 0.68 13.21 12.74 96.32 18.06 84.90 -3.50 97.39 0.21 2.40 3.73 7.64 86.28 0.76 1.36 0.00 0.12 0.11 86 E C C 87.91 6.02 9.35 17.49 117.69 122.97 -81.17 145.33 96.29 2.07 1.64 67.77 26.90 1.40 0.87 0.70 0.00 0.69 1.67 87 S C C 65.04 3.65 12.52 17.54 115.69 -114.74 -77.86 147.30 81.79 13.91 4.30 71.54 5.65 1.98 2.97 1.26 0.00 4.47 12.13 88 V C C 86.60 8.10 9.74 18.97 96.30 -129.39 -71.90 -23.20 59.68 3.18 37.14 29.36 15.82 15.70 15.34 20.65 0.02 1.84 1.27 89 T C G 92.68 3.80 11.16 16.30 99.33 69.42 -81.82 -3.21 56.19 3.23 40.58 22.25 14.71 20.97 14.94 23.88 0.05 2.05 1.16 90 T C C 95.27 3.12 10.01 14.74 105.47 78.63 -87.52 36.01 57.16 3.51 39.33 30.73 10.90 16.93 13.79 24.18 0.03 2.09 1.33 91 R C C 161.02 3.29 8.87 14.07 111.04 68.97 -91.27 114.95 78.41 1.72 19.88 64.26 2.89 13.03 10.18 7.74 0.00 0.89 1.00 92 G C C 50.35 3.65 12.15 17.19 111.96 5.16 92.16 -23.56 99.94 0.03 0.03 99.76 0.11 0.10 0.01 0.00 0.00 0.01 0.01