# 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 103.88 7.04 12.35 20.86 117.54 -147.03 -92.85 136.38 99.98 0.02 0.00 99.91 0.06 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 82.81 5.79 10.94 18.37 112.27 -110.95 -69.63 149.54 91.09 0.94 7.97 85.74 0.95 6.08 1.65 4.68 0.00 0.52 0.39 2 A C C 80.56 4.10 11.00 16.68 104.71 -127.22 -83.50 8.30 80.60 3.55 15.85 50.39 12.90 16.50 2.40 14.38 0.00 2.11 1.33 3 Q C C 127.39 3.20 12.69 17.41 113.37 20.71 -94.16 127.62 73.23 5.39 21.38 31.85 18.39 24.19 2.57 18.18 0.01 3.35 1.46 4 G C C 37.33 8.58 13.24 22.68 114.34 25.43 97.13 134.05 76.04 8.71 15.25 38.80 16.96 21.33 1.91 13.10 0.01 6.51 1.37 5 H C C 89.45 10.57 15.69 26.74 117.64 -128.33 -104.46 133.41 69.88 24.37 5.75 52.06 12.27 5.37 1.12 4.83 0.00 22.14 2.20 6 R C E 101.96 11.70 18.26 29.96 119.24 -152.72 -103.44 133.47 52.49 46.41 1.10 44.07 6.26 1.62 0.34 0.80 0.00 44.92 1.98 7 L E E 35.37 17.86 17.93 35.29 115.09 -155.22 -98.72 129.69 35.79 63.70 0.51 28.61 5.82 1.10 0.16 0.35 0.00 63.17 0.79 8 Y E E 78.13 13.74 21.74 35.00 128.20 -170.47 -125.02 142.55 19.39 80.34 0.27 15.32 3.22 0.52 0.08 0.17 0.00 80.24 0.45 9 V E E 15.18 21.06 18.12 39.16 128.39 -169.63 -128.62 140.09 12.46 87.47 0.07 11.23 0.80 0.09 0.02 0.04 0.00 87.51 0.31 10 K E E 92.76 9.01 25.22 34.51 118.45 -141.49 -97.88 133.58 8.87 91.09 0.04 7.81 0.56 0.06 0.01 0.02 0.00 91.35 0.18 11 A E E 8.05 22.42 16.19 38.60 137.58 170.73 -143.13 161.68 4.39 95.60 0.01 3.83 0.28 0.02 0.00 0.00 0.00 95.83 0.04 12 K E E 85.85 7.89 25.48 34.09 121.47 -122.41 -111.57 135.10 0.77 99.23 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.25 0.02 13 H E E 38.06 20.49 15.99 36.21 109.76 -121.78 -79.95 124.23 0.62 99.38 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.33 0.04 14 L E E 58.68 9.68 21.59 32.08 101.17 176.11 -97.29 -30.25 5.97 93.99 0.05 4.46 1.11 0.14 0.01 0.03 0.00 94.18 0.08 15 S E E 31.24 8.38 23.62 33.00 143.71 -15.34 -165.37 161.46 13.42 86.52 0.06 9.07 3.75 0.36 0.01 0.04 0.00 86.65 0.13 16 F E E 52.68 19.47 14.74 33.33 130.85 -152.46 -134.84 144.22 19.25 80.56 0.20 17.54 1.31 0.20 0.07 0.09 0.00 79.86 0.93 17 Q E E 71.48 8.16 18.89 28.28 120.68 -150.16 -115.67 133.57 28.46 71.31 0.23 25.13 2.48 0.46 0.08 0.15 0.00 69.13 2.58 18 R E E 115.18 9.83 13.36 24.21 120.06 -158.80 -108.83 134.97 41.84 57.94 0.22 33.84 6.91 1.05 0.06 0.19 0.00 55.13 2.82 19 S C C 46.20 6.28 11.84 19.96 127.91 170.39 -122.91 163.46 76.04 23.73 0.23 64.62 8.82 1.35 0.06 0.21 0.00 22.58 2.36 20 K C S 168.10 1.31 11.67 13.54 96.04 -80.60 -63.72 -32.86 98.81 0.76 0.43 6.00 59.66 33.25 0.03 0.39 0.00 0.50 0.16 21 H C S 164.84 0.91 11.98 12.50 101.67 10.71 -98.30 -10.71 98.73 0.81 0.47 5.12 60.73 32.98 0.04 0.43 0.00 0.53 0.18 22 V C S 83.21 4.44 11.35 17.70 126.18 48.62 -127.49 142.29 69.16 30.35 0.49 27.70 34.90 8.22 0.09 0.52 0.00 24.76 3.80 23 I E E 93.31 8.23 11.65 21.38 116.35 -147.49 -101.64 126.11 48.06 51.68 0.26 36.80 9.57 1.26 0.11 0.23 0.00 41.18 10.83 24 H C C 79.53 8.58 14.83 24.95 113.06 -168.26 -113.08 113.10 71.15 28.77 0.08 62.31 8.01 0.40 0.02 0.08 0.00 27.20 1.97 25 P C T 78.51 6.45 17.61 25.15 111.22 -130.62 -66.61 139.40 78.24 21.33 0.43 6.71 11.66 59.91 0.02 0.43 0.00 20.77 0.49 26 G C T 33.03 9.34 19.20 29.08 95.19 18.81 78.67 5.34 79.39 20.29 0.32 7.96 12.93 57.12 0.01 0.35 0.00 21.42 0.21 27 T E E 24.58 14.93 19.05 34.79 125.58 122.97 -111.55 144.77 41.44 58.54 0.03 38.25 1.95 0.09 0.00 0.02 0.00 59.31 0.38 28 S E E 8.25 19.67 21.16 40.86 132.53 -170.25 -131.89 151.20 3.15 96.84 0.00 2.92 0.09 0.00 0.00 0.00 0.00 96.90 0.08 29 I E E 20.93 17.55 25.28 42.63 118.50 -139.02 -106.88 128.71 0.43 99.57 0.00 0.34 0.02 0.00 0.00 0.00 0.00 99.63 0.01 30 V E E 4.27 24.66 21.73 46.52 120.18 -163.02 -114.01 129.18 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 31 K E E 66.77 11.88 27.14 39.06 116.90 -159.84 -106.71 125.08 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 32 I E E 5.59 25.08 16.53 42.34 116.23 -160.50 -106.99 123.45 1.58 98.42 0.00 1.55 0.03 0.00 0.00 0.00 0.00 98.38 0.04 33 E E E 101.86 6.18 23.83 30.54 117.77 -146.47 -87.32 141.48 16.29 83.62 0.09 6.15 4.38 4.66 0.00 0.10 0.00 84.45 0.25 34 G C E 37.80 5.47 22.85 29.21 97.29 21.45 81.99 3.35 64.24 35.68 0.08 12.89 31.48 18.24 0.00 0.12 0.00 36.95 0.31 35 C C C 9.17 23.43 10.10 32.97 113.49 148.21 -84.99 130.74 63.89 36.04 0.07 63.33 1.07 0.13 0.02 0.04 0.00 32.22 3.18 36 D C C 101.52 3.62 21.30 25.64 102.53 170.13 -110.03 -9.27 96.82 3.14 0.05 78.57 18.20 0.27 0.02 0.03 0.00 2.49 0.42 37 S C S 48.32 4.03 22.37 26.14 135.95 35.53 -138.64 164.61 97.87 0.63 1.50 14.88 82.29 0.71 1.53 0.09 0.00 0.13 0.37 38 K H H 106.54 12.27 14.07 26.45 91.79 -109.16 -60.54 -36.66 1.46 0.00 98.54 0.11 0.18 1.03 97.49 1.18 0.00 0.00 0.00 39 E H H 135.84 1.44 21.04 21.27 91.27 53.57 -63.74 -40.51 0.79 0.00 99.21 0.07 0.05 0.57 97.84 1.47 0.00 0.00 0.00 40 E H H 55.95 10.81 18.50 30.22 92.22 48.41 -66.19 -39.82 0.41 0.00 99.59 0.05 0.02 0.27 97.82 1.83 0.00 0.00 0.00 41 A H H 2.56 25.38 13.07 38.84 91.18 52.18 -63.87 -40.58 0.41 0.00 99.59 0.04 0.02 0.28 98.28 1.38 0.00 0.00 0.00 42 Q H H 96.46 8.25 22.53 31.27 91.16 55.92 -63.53 -34.88 2.11 0.00 97.89 0.06 0.05 2.04 89.52 8.33 0.00 0.00 0.00 43 F H H 97.69 7.00 23.96 31.50 91.27 56.70 -67.11 -28.06 8.96 0.00 91.04 0.08 0.11 10.39 81.52 7.90 0.00 0.00 0.00 44 Y H H 7.75 23.96 17.72 42.15 95.07 48.45 -90.08 -11.53 25.37 0.03 74.60 0.39 0.54 26.19 65.71 7.11 0.02 0.01 0.02 45 L C T 40.74 18.36 17.48 35.91 111.32 112.36 -62.66 131.54 93.03 0.79 6.17 0.54 1.22 91.68 5.19 0.62 0.00 0.27 0.49 46 G C T 36.44 6.69 23.12 31.03 95.29 21.72 87.11 -5.01 99.07 0.28 0.65 0.52 1.83 96.99 0.27 0.18 0.00 0.18 0.03 47 K C C 57.68 15.47 20.00 35.26 119.64 126.47 -79.74 147.92 96.45 3.54 0.01 92.17 4.00 0.06 0.00 0.00 0.00 3.69 0.08 48 R E E 85.24 13.59 24.56 37.63 119.38 -124.16 -96.13 137.00 2.74 97.26 0.00 2.84 0.06 0.00 0.00 0.00 0.00 96.69 0.41 49 V E E 3.98 24.48 20.81 45.36 133.72 -174.20 -134.15 152.29 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.00 50 C E E 8.26 20.53 25.48 45.68 122.11 -139.48 -110.03 137.84 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 51 Y E E 12.78 22.20 24.54 45.90 127.13 -169.55 -121.81 141.86 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 52 V E E 15.17 19.33 23.17 42.30 118.24 -151.10 -109.01 127.40 0.50 99.50 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.00 53 Y E E 33.67 16.24 20.71 37.24 130.65 -176.02 -127.41 149.34 1.92 98.07 0.01 1.69 0.09 0.01 0.00 0.00 0.00 98.16 0.05 54 K E E 95.10 9.73 19.91 30.03 116.76 -125.07 -92.63 133.53 13.93 85.96 0.12 12.66 1.06 0.16 0.04 0.06 0.00 85.49 0.54 55 S C C 21.70 14.98 10.50 25.93 119.57 -137.65 -92.45 146.06 66.33 32.96 0.70 61.09 3.05 0.62 0.24 0.35 0.00 33.62 1.03 56 S C S 89.60 1.87 15.42 17.55 96.96 -141.50 -80.19 -19.99 80.87 10.10 9.03 27.19 41.51 13.48 4.31 3.93 0.03 8.22 1.33 57 K C S 140.85 1.82 13.90 16.06 121.44 38.14 -119.34 144.70 75.80 8.00 16.20 17.82 41.40 18.37 8.06 6.66 0.24 5.04 2.41 58 A C C 70.98 5.30 10.54 17.47 111.40 -102.54 -77.92 133.06 73.25 10.07 16.68 44.01 18.17 12.04 8.69 7.64 0.09 7.06 2.31 59 V C C 90.22 5.58 9.96 17.15 109.53 -160.19 -94.54 81.19 71.13 14.61 14.26 42.82 16.35 12.75 7.76 6.29 0.14 9.74 4.16 60 R C C 161.45 2.64 11.29 15.36 111.42 9.67 -105.53 108.53 73.72 13.32 12.96 31.93 18.26 25.23 5.38 6.76 0.15 8.04 4.25 61 G C T 50.83 2.56 12.91 16.44 112.49 -32.05 74.63 -143.88 90.02 2.59 7.38 16.97 23.60 49.86 1.51 5.56 0.00 1.68 0.81 62 S C T 80.81 4.12 12.84 18.25 100.73 -24.49 -89.66 9.17 87.39 6.74 5.88 28.16 22.91 37.07 0.96 4.67 0.00 5.21 1.01 63 K C C 105.52 6.34 14.51 22.27 116.57 109.37 -94.34 135.01 70.10 27.97 1.92 44.00 19.71 6.89 0.37 1.67 0.00 25.52 1.84 64 I E E 62.39 13.35 14.12 27.98 118.65 -151.17 -104.34 133.37 36.08 63.82 0.10 32.45 2.43 0.22 0.03 0.07 0.00 64.06 0.76 65 R E E 76.00 12.47 18.61 31.59 120.54 -159.91 -107.13 132.79 8.51 91.46 0.03 7.83 0.41 0.04 0.01 0.01 0.00 91.39 0.30 66 V E E 41.82 14.90 19.75 34.87 121.41 -157.42 -112.35 130.98 3.36 96.63 0.00 3.02 0.16 0.00 0.00 0.00 0.00 96.76 0.06 67 I E E 16.56 19.53 19.74 39.58 121.35 -164.03 -112.08 132.28 1.51 98.49 0.00 1.40 0.04 0.00 0.00 0.00 0.00 98.52 0.04 68 W E E 85.43 13.15 23.56 36.45 124.98 -163.37 -113.83 139.11 2.14 97.86 0.00 1.83 0.11 0.01 0.00 0.00 0.00 97.99 0.06 69 G E E 9.13 15.16 21.55 37.06 143.33 139.24 -161.50 -175.32 3.38 96.61 0.00 2.50 0.51 0.02 0.00 0.00 0.00 96.93 0.03 70 T E E 59.22 7.81 25.70 34.33 122.02 -75.12 -101.60 142.44 2.34 97.66 0.00 2.03 0.15 0.00 0.00 0.00 0.00 97.72 0.09 71 I E E 16.93 23.48 14.08 38.07 110.29 -114.84 -75.40 127.15 5.63 94.37 0.01 5.57 0.14 0.01 0.00 0.00 0.00 93.69 0.58 72 A E E 49.72 7.44 21.89 30.23 100.98 176.05 -97.05 -29.99 28.32 71.66 0.02 20.10 7.94 0.19 0.00 0.02 0.00 71.40 0.35 73 R E E 121.71 3.70 23.41 27.63 134.38 3.01 -146.06 148.54 32.43 67.56 0.01 15.39 16.57 0.26 0.00 0.01 0.00 67.51 0.25 74 P E E 60.49 15.16 15.03 29.87 115.17 -105.23 -68.43 144.48 37.61 62.32 0.07 36.11 1.01 0.11 0.02 0.05 0.00 60.84 1.87 75 H E E 69.63 12.37 14.83 27.74 109.39 -148.70 -96.31 111.96 38.21 61.33 0.46 32.76 2.77 0.56 0.24 0.28 0.00 43.45 19.94 76 G C T 42.18 5.78 16.90 23.71 114.16 -128.20 73.19 -149.02 86.89 4.11 9.00 7.67 21.02 56.59 0.26 10.71 0.00 3.02 0.72 77 N C T 128.24 2.85 15.52 18.58 94.51 -35.32 -72.63 -18.01 88.01 1.20 10.79 1.84 13.02 71.47 0.27 12.27 0.00 0.74 0.38 78 S C T 57.75 7.05 17.22 25.13 96.31 49.22 -92.26 -2.07 89.84 0.42 9.74 1.37 8.61 78.10 0.23 11.28 0.00 0.24 0.17 79 G C T 18.65 13.26 16.68 31.02 96.28 -110.87 82.36 8.25 96.82 1.17 2.02 17.39 20.57 58.76 0.16 2.06 0.00 0.82 0.23 80 A E E 19.49 13.81 19.75 34.87 118.74 142.94 -80.10 143.76 41.77 58.19 0.04 38.58 2.83 0.16 0.01 0.04 0.00 56.64 1.73 81 V E E 11.29 21.95 19.07 41.46 119.10 -135.88 -98.98 133.51 3.12 96.88 0.00 3.02 0.11 0.01 0.00 0.00 0.00 95.80 1.06 82 R E E 81.02 11.69 26.39 38.15 120.35 -155.36 -108.14 133.52 3.59 96.41 0.00 3.38 0.09 0.00 0.00 0.00 0.00 96.43 0.08 83 A E E 5.40 24.64 16.35 41.27 128.45 -171.68 -122.71 146.10 4.35 95.65 0.00 4.22 0.08 0.00 0.00 0.00 0.00 95.66 0.03 84 R E E 111.69 6.73 25.95 33.47 123.36 -155.77 -118.51 135.02 1.86 98.14 0.00 1.83 0.05 0.00 0.00 0.00 0.00 97.92 0.19 85 F E E 25.65 22.10 12.29 33.99 114.90 -130.58 -86.35 130.21 10.32 89.67 0.01 10.62 0.16 0.01 0.00 0.01 0.00 88.01 1.19 86 V C S 87.04 4.71 20.21 25.52 99.59 -171.29 -93.22 -24.98 84.43 15.43 0.14 33.38 48.82 1.50 0.01 0.15 0.00 15.75 0.40 87 H C S 103.74 3.33 20.57 24.08 133.84 16.85 -139.55 155.49 94.77 5.14 0.09 5.01 85.87 4.00 0.00 0.09 0.00 4.73 0.30 88 N C C 100.50 7.55 19.21 27.72 109.63 -82.99 -68.10 130.49 97.10 2.74 0.16 81.08 12.86 3.11 0.01 0.23 0.00 2.16 0.54 89 L C C 16.10 22.37 12.22 34.37 117.43 -144.32 -99.21 134.74 95.92 4.00 0.08 91.90 3.88 0.07 0.04 0.03 0.00 1.12 2.97 90 P C C 52.14 5.82 23.28 29.66 113.52 -110.58 -65.85 144.80 98.99 0.82 0.18 98.66 0.49 0.10 0.07 0.05 0.00 0.28 0.36 91 A H G 37.61 17.78 13.26 30.40 92.06 -116.27 -58.85 -33.58 21.33 0.15 78.51 3.16 2.57 14.54 15.77 63.81 0.00 0.09 0.06 92 K H G 147.41 2.70 19.34 22.92 90.80 61.72 -66.94 -22.11 14.31 0.13 85.56 1.50 1.41 10.60 16.98 69.39 0.00 0.08 0.04 93 T H G 52.93 12.19 17.17 29.53 94.34 60.63 -77.66 -19.63 13.10 0.19 86.71 1.98 1.73 8.80 15.54 71.78 0.00 0.12 0.05 94 F H G 40.30 20.29 15.02 34.03 98.98 49.09 -92.98 2.40 45.01 1.31 53.68 3.55 6.41 33.59 14.61 40.04 0.16 0.69 0.95 95 G C T 42.27 5.89 22.42 28.74 98.17 -97.07 83.75 9.82 95.88 1.55 2.57 15.57 8.57 71.93 0.88 1.51 0.00 1.17 0.37 96 S C C 23.39 17.82 14.62 32.11 119.34 145.41 -82.79 150.85 89.79 9.89 0.31 83.45 4.91 0.79 0.08 0.22 0.00 9.87 0.68 97 S E E 54.24 7.45 24.10 31.99 124.43 -134.10 -113.24 144.81 34.04 65.80 0.16 31.24 2.14 0.26 0.05 0.11 0.00 64.63 1.57 98 L E E 17.44 24.16 14.66 38.45 126.78 -163.54 -124.01 139.70 8.34 91.63 0.02 7.82 0.41 0.02 0.01 0.01 0.00 91.39 0.33 99 R E E 101.53 7.65 25.35 33.45 122.50 -159.43 -113.85 136.80 2.58 97.41 0.01 2.51 0.08 0.00 0.00 0.00 0.00 97.36 0.05 100 V E E 22.48 22.49 15.65 37.86 121.66 -161.05 -114.09 130.43 1.90 98.10 0.00 1.89 0.03 0.00 0.00 0.00 0.00 98.03 0.05 101 M E E 67.69 8.41 23.23 32.35 123.76 -169.42 -119.18 136.33 4.50 95.49 0.01 4.16 0.14 0.01 0.00 0.00 0.00 95.57 0.11 102 L E E 60.03 15.38 15.80 31.15 116.47 -138.75 -94.64 131.00 16.38 83.59 0.03 14.65 1.14 0.10 0.01 0.02 0.00 83.59 0.50 103 Y C C 89.87 9.74 14.85 25.91 120.82 -158.39 -109.31 136.58 60.55 39.34 0.11 54.12 4.76 0.28 0.02 0.09 0.00 40.11 0.62 104 P C C 79.53 5.98 13.36 20.76 110.76 -107.13 -67.98 145.56 70.62 24.19 5.19 47.94 12.63 9.68 0.51 5.44 0.00 22.66 1.15 105 S C C 73.70 5.51 9.79 16.92 106.31 -134.14 -85.59 59.04 85.64 7.30 7.06 39.29 24.49 21.64 0.60 7.37 0.00 5.55 1.06 106 N C C 126.21 1.84 10.74 13.70 103.79 -130.12 -89.01 29.51 87.55 6.07 6.39 66.58 6.05 14.20 0.81 6.26 0.00 4.82 1.28 107 I C C 101.95 6.41 9.92 17.80 107.50 107.90 -89.57 86.44 99.82 0.16 0.02 99.77 0.08 0.04 0.00 0.00 0.00 0.09 0.01