# 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 H C C 108.54 7.66 22.80 30.26 102.64 -28.01 -85.76 52.53 99.86 0.14 0.00 99.46 0.37 0.07 0.00 0.00 0.00 0.07 0.02 1 I C C 13.81 24.04 10.64 33.87 120.53 143.66 -102.92 135.64 87.25 12.68 0.07 88.09 0.36 0.03 0.04 0.01 0.00 2.77 8.69 2 K C C 113.36 3.30 22.96 26.23 127.47 -163.76 -115.76 156.05 98.66 1.30 0.04 98.51 0.37 0.05 0.01 0.01 0.00 0.35 0.70 3 K C T 127.94 7.76 14.59 23.90 110.11 -84.36 -60.00 134.91 99.64 0.24 0.12 0.14 0.92 98.72 0.00 0.06 0.00 0.11 0.04 4 G C T 44.46 4.03 18.92 23.85 96.63 25.37 89.11 -6.64 99.90 0.06 0.04 0.15 0.96 98.83 0.00 0.02 0.00 0.04 0.00 5 D C C 37.95 13.13 15.00 29.40 118.04 133.45 -71.45 146.35 98.03 1.97 0.00 97.30 0.86 0.02 0.00 0.00 0.00 1.76 0.06 6 N E E 78.94 7.64 23.69 31.74 115.44 -123.02 -87.41 132.13 2.47 97.51 0.01 2.56 0.07 0.00 0.01 0.00 0.00 96.45 0.89 7 V E E 4.82 24.92 15.87 41.19 133.80 -174.35 -134.35 153.95 0.95 99.05 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.04 0.03 8 K E E 76.71 8.96 26.56 36.25 119.37 -133.61 -107.39 133.35 1.60 98.38 0.02 1.52 0.08 0.02 0.01 0.01 0.00 98.28 0.09 9 V E E 9.94 22.66 15.77 39.11 109.54 -120.09 -76.20 123.42 18.09 81.78 0.13 17.88 0.49 0.07 0.05 0.06 0.00 80.47 0.97 10 I C C 57.22 10.29 21.85 32.95 99.83 176.40 -99.20 -26.42 90.66 8.87 0.47 61.65 25.65 3.17 0.06 0.51 0.00 8.30 0.66 11 A C S 44.53 6.09 22.35 29.20 141.59 9.26 -153.47 158.25 95.46 3.87 0.67 9.41 79.95 6.60 0.09 0.51 0.00 2.31 1.13 12 G C S 35.88 4.60 18.89 24.72 127.91 35.08 92.94 -162.59 95.32 1.46 3.23 6.26 80.20 9.28 0.36 2.30 0.00 0.58 1.02 13 K C T 154.59 2.43 18.74 21.68 93.62 -47.11 -69.79 -21.25 91.34 0.98 7.67 1.63 20.82 68.86 0.33 7.30 0.01 0.50 0.56 14 D C T 33.72 16.13 12.70 29.18 96.22 52.05 -99.79 7.69 93.30 0.97 5.72 4.77 11.68 75.74 0.34 6.44 0.00 0.61 0.42 15 K C T 101.88 10.80 13.96 25.95 111.06 135.22 -61.70 132.09 97.58 0.88 1.54 1.61 2.50 93.73 0.17 1.16 0.00 0.42 0.41 16 G C T 50.31 3.57 19.73 23.83 94.20 21.44 86.11 -2.60 98.82 0.58 0.60 1.39 3.14 94.32 0.04 0.57 0.00 0.46 0.07 17 K C C 78.55 10.71 17.55 29.14 121.10 125.72 -80.89 147.85 96.62 3.28 0.09 92.97 3.21 0.42 0.01 0.09 0.00 3.09 0.21 18 E E E 100.46 9.67 20.66 31.29 126.18 -148.18 -114.41 144.53 7.06 92.91 0.03 6.75 0.42 0.03 0.02 0.01 0.00 90.68 2.09 19 G E E 9.51 14.10 21.24 36.15 144.72 138.15 -167.23 -175.44 2.14 97.86 0.00 1.71 0.27 0.01 0.00 0.00 0.00 97.98 0.03 20 K E E 83.36 8.11 25.91 34.94 120.25 -74.15 -102.45 138.80 0.61 99.39 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.42 0.01 21 V E E 5.69 24.80 14.90 40.82 109.21 -115.35 -74.41 124.71 0.54 99.46 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 22 I E E 64.41 8.67 23.46 32.97 101.07 175.01 -98.85 -31.28 1.38 98.61 0.00 0.91 0.28 0.01 0.00 0.00 0.00 98.79 0.01 23 A E E 40.36 7.35 25.72 34.16 140.87 1.01 -155.38 151.93 0.40 99.60 0.00 0.28 0.04 0.00 0.00 0.00 0.00 99.68 0.00 24 T E E 28.09 21.53 14.60 35.25 124.06 -162.68 -128.74 129.63 0.89 99.11 0.01 0.75 0.04 0.00 0.00 0.00 0.00 99.18 0.02 25 L E E 43.22 8.39 18.42 28.99 109.84 -162.16 -112.28 103.22 8.02 91.95 0.03 7.36 0.46 0.04 0.01 0.01 0.00 91.70 0.43 26 P C G 71.50 9.80 13.62 24.84 93.79 -175.45 -64.89 -31.67 52.42 1.05 46.53 2.04 2.99 43.60 0.50 49.95 0.00 0.82 0.12 27 K C T 167.13 0.71 16.03 15.15 93.17 53.12 -68.38 -34.47 54.58 0.37 45.05 0.97 2.42 48.05 0.50 47.76 0.00 0.22 0.08 28 K C T 115.81 3.90 15.82 20.40 97.84 32.78 -98.31 -4.62 56.06 0.15 43.79 0.89 2.59 48.22 0.36 47.80 0.00 0.08 0.04 29 D C T 62.61 12.14 15.46 28.47 94.81 -126.02 56.40 42.97 99.64 0.11 0.25 2.87 2.62 94.22 0.03 0.17 0.00 0.08 0.01 30 R E E 58.37 12.06 21.62 34.44 135.22 125.92 -133.08 156.19 4.24 95.76 0.00 3.42 0.37 0.04 0.00 0.00 0.00 96.06 0.11 31 V E E 4.17 24.51 18.50 43.89 121.92 -146.70 -116.18 133.69 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 32 V E E 30.22 11.60 26.60 39.37 117.40 -153.12 -106.83 126.86 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 33 V E E 4.81 24.86 17.08 42.63 119.05 -167.51 -112.44 126.48 0.42 99.58 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 34 E E E 91.12 7.56 23.72 31.51 118.65 -147.58 -87.16 143.06 16.57 83.26 0.16 6.19 3.80 6.60 0.01 0.16 0.00 83.07 0.17 35 G C S 34.57 6.80 22.48 30.03 97.29 18.26 77.88 13.91 74.65 25.13 0.21 13.00 38.49 20.54 0.01 0.25 0.00 27.41 0.31 36 V C C 20.72 22.13 13.49 34.76 116.06 143.26 -91.12 127.06 66.25 33.29 0.45 54.90 8.05 1.83 0.07 0.43 0.00 33.89 0.84 37 N C E 71.45 8.63 22.34 31.07 111.29 -144.78 -98.00 108.11 50.46 49.14 0.40 36.62 10.48 2.76 0.06 0.38 0.00 48.83 0.87 38 I E E 54.00 15.61 15.61 31.16 118.84 -155.37 -103.73 130.53 20.49 79.27 0.23 17.44 2.68 0.44 0.06 0.17 0.00 77.92 1.29 39 M E E 71.82 10.71 16.49 28.14 123.35 -168.13 -115.54 137.43 9.83 89.97 0.20 8.55 1.13 0.25 0.07 0.12 0.00 89.09 0.77 40 K E E 110.47 8.40 14.89 24.50 117.29 -140.66 -98.62 130.91 12.45 87.23 0.33 10.59 1.53 0.43 0.10 0.22 0.00 86.58 0.56 41 K E E 106.39 7.54 13.48 22.46 119.63 -159.99 -105.34 134.80 26.49 72.07 1.45 20.79 4.45 1.53 0.29 1.12 0.00 71.10 0.73 42 H E E 114.19 6.54 11.81 19.94 116.63 -138.53 -96.01 131.84 39.84 58.98 1.18 31.21 7.44 1.98 0.25 0.96 0.00 56.76 1.40 43 Q C C 98.13 6.28 11.50 19.53 120.68 -162.11 -108.81 141.00 63.72 35.23 1.05 51.49 10.65 1.43 0.27 0.90 0.00 32.23 3.05 44 K C C 136.05 3.24 12.40 17.24 115.43 -114.36 -84.95 137.35 89.56 9.91 0.53 78.71 9.72 0.97 0.17 0.37 0.00 8.93 1.14 45 P C C 72.37 7.33 9.02 17.92 112.64 -106.28 -67.03 146.56 86.08 5.95 7.97 69.99 8.45 7.47 1.97 6.06 0.00 4.38 1.66 46 T C C 89.37 3.32 9.82 14.74 110.47 -153.42 -97.02 126.80 84.00 5.87 10.13 49.02 19.94 14.97 2.32 7.82 0.01 2.72 3.20 47 Q C S 145.30 1.37 9.69 11.84 98.86 -45.73 -72.72 -25.24 88.36 1.71 9.93 16.53 38.20 34.38 1.85 7.23 0.00 0.82 0.98 48 L C S 133.52 1.31 10.46 12.15 98.94 42.65 -82.67 -20.68 91.37 1.46 7.17 15.69 39.21 37.04 1.40 5.14 0.00 0.71 0.81 49 N C C 76.26 5.67 8.50 16.06 112.00 33.57 -123.85 95.65 92.12 6.71 1.18 48.45 39.86 3.70 0.33 0.85 0.00 2.49 4.32 50 P C T 99.41 3.38 10.41 15.72 95.33 -169.25 -65.97 -22.30 86.75 1.79 11.46 15.39 14.41 55.69 0.80 11.99 0.00 1.16 0.57 51 E C T 142.40 1.87 12.90 15.35 99.36 57.83 -87.42 -0.15 82.49 4.90 12.61 14.40 15.07 52.52 0.97 12.34 0.01 3.40 1.30 52 G C C 28.72 9.06 11.76 21.99 119.75 -125.19 74.40 173.15 85.98 7.10 6.92 50.08 19.49 15.61 0.53 7.67 0.00 5.12 1.50 53 G C C 30.43 7.27 14.85 23.35 122.90 -152.22 119.29 173.38 72.04 27.18 0.78 49.30 18.37 4.40 0.11 0.79 0.00 25.64 1.38 54 I E E 83.91 10.59 13.53 24.88 121.23 -69.30 -107.71 135.59 15.22 84.74 0.04 13.78 1.31 0.10 0.01 0.03 0.00 83.49 1.28 55 L E E 69.19 8.63 15.38 25.49 122.01 -165.47 -113.42 136.96 3.50 96.50 0.01 3.31 0.14 0.01 0.00 0.00 0.00 96.33 0.21 56 E E E 112.06 9.13 14.78 25.08 118.51 -153.57 -104.39 129.99 4.31 95.68 0.01 3.62 0.46 0.02 0.00 0.00 0.00 95.84 0.06 57 T E E 60.57 7.30 17.81 26.36 131.72 168.02 -135.93 149.63 4.15 95.83 0.02 3.62 0.35 0.03 0.00 0.01 0.00 95.90 0.10 58 E E E 99.36 10.81 16.80 28.09 116.22 -118.33 -84.78 137.28 8.06 91.92 0.02 7.63 0.35 0.03 0.00 0.01 0.00 91.77 0.20 59 A E E 19.99 15.13 17.79 33.58 135.15 167.88 -139.89 155.82 18.19 81.79 0.02 17.18 0.55 0.03 0.00 0.01 0.00 82.03 0.20 60 A E E 48.19 10.54 23.13 33.65 114.08 -107.27 -73.87 141.25 14.46 85.54 0.01 12.91 0.97 0.03 0.00 0.00 0.00 85.73 0.36 61 I E E 10.34 23.96 16.57 40.65 128.92 -172.45 -126.37 144.01 9.86 90.13 0.00 9.57 0.41 0.01 0.00 0.00 0.00 88.53 1.48 62 H E E 59.24 9.65 25.29 35.66 113.58 -121.59 -80.39 134.31 21.11 78.87 0.02 22.34 0.30 0.01 0.00 0.01 0.00 74.65 2.68 63 V H G 18.45 23.02 16.54 39.43 91.62 -128.24 -60.41 -30.23 8.75 0.33 90.92 1.20 0.99 5.56 1.29 90.63 0.00 0.31 0.01 64 S H G 59.62 8.95 22.83 32.61 90.64 66.23 -71.34 -14.62 7.99 0.21 91.80 0.43 0.68 6.08 0.94 91.68 0.00 0.18 0.01 65 N H G 52.59 12.95 22.03 35.64 96.55 54.29 -100.11 3.05 8.85 0.24 90.91 0.98 1.10 5.60 0.85 91.27 0.00 0.19 0.01 66 V C C 5.74 25.68 16.42 42.64 119.87 95.85 -97.71 136.65 53.47 43.52 3.00 39.90 11.35 1.62 1.58 1.49 0.01 35.73 8.30 67 Q E E 53.07 13.10 25.98 38.84 125.32 -166.40 -119.43 138.93 47.58 52.20 0.22 45.72 1.72 0.24 0.09 0.12 0.00 48.91 3.20 68 L E E 28.96 19.48 21.04 39.89 115.72 -124.29 -84.31 134.68 42.63 57.22 0.15 35.49 6.20 0.40 0.04 0.12 0.00 55.85 1.90 69 L E B 39.54 13.93 18.69 33.37 120.83 -156.92 -109.54 133.54 13.61 86.32 0.07 12.23 0.58 0.02 0.08 0.01 0.00 40.72 46.35 70 D C C 32.11 11.38 14.73 28.30 108.00 -127.80 -82.48 116.84 91.20 8.78 0.03 91.70 0.66 0.06 0.01 0.01 0.00 6.53 1.04 71 P C T 74.68 8.20 13.75 23.68 92.79 -155.26 -66.34 -25.45 99.73 0.05 0.22 0.41 3.69 95.65 0.01 0.20 0.00 0.03 0.02 72 K C T 155.28 1.29 14.57 15.63 97.06 48.14 -76.00 -37.98 99.67 0.07 0.26 0.18 2.97 96.56 0.00 0.23 0.00 0.03 0.02 73 T C T 77.66 3.32 12.82 17.18 101.53 22.97 -103.75 -13.62 99.63 0.11 0.27 0.96 5.38 93.28 0.01 0.29 0.00 0.06 0.03 74 N C C 107.80 5.33 12.27 19.64 95.10 -129.36 64.46 22.05 99.14 0.65 0.21 64.23 12.78 22.13 0.04 0.20 0.00 0.42 0.22 75 E C C 103.17 3.60 16.84 21.64 121.43 134.55 -92.79 144.79 84.76 15.19 0.05 59.93 25.55 0.35 0.01 0.05 0.00 12.75 1.37 76 P E B 69.68 9.60 16.55 26.90 113.91 -102.36 -65.94 144.70 9.49 90.44 0.06 8.31 0.52 0.04 0.08 0.02 0.00 42.02 49.01 77 T C C 23.27 18.14 14.93 33.01 129.79 -163.86 -125.67 152.12 65.86 34.09 0.05 63.25 2.09 0.13 0.01 0.04 0.00 33.80 0.68 78 R E E 97.05 9.68 23.24 33.22 118.65 -121.87 -95.27 134.70 32.92 67.04 0.03 29.84 2.46 0.12 0.01 0.03 0.00 66.28 1.27 79 V E E 23.14 20.73 16.53 36.78 118.98 -143.23 -101.34 132.90 10.39 89.60 0.01 9.86 0.34 0.02 0.00 0.00 0.00 89.57 0.22 80 G E E 12.11 11.28 21.85 34.12 139.33 162.26 -144.09 175.77 1.66 98.34 0.00 1.41 0.09 0.00 0.00 0.00 0.00 98.45 0.05 81 Y E E 91.16 14.42 16.29 30.62 129.63 -122.93 -129.94 144.63 1.11 98.89 0.00 0.98 0.04 0.00 0.00 0.00 0.00 98.96 0.02 82 K E E 86.40 7.61 16.97 25.89 131.48 -174.20 -133.38 152.22 1.09 98.91 0.00 0.89 0.06 0.00 0.00 0.00 0.00 99.03 0.01 83 F E E 117.71 6.67 12.93 21.36 115.02 -127.08 -96.86 125.96 3.14 96.86 0.00 2.61 0.21 0.02 0.00 0.00 0.00 97.13 0.04 84 V E E 61.66 8.45 8.89 18.99 120.36 177.02 -130.60 122.32 7.09 92.84 0.07 4.39 1.66 0.63 0.01 0.06 0.00 92.91 0.33 85 D C T 136.11 0.49 11.70 11.13 92.94 -14.60 51.86 43.04 99.62 0.26 0.13 0.39 4.09 95.20 0.00 0.12 0.00 0.18 0.02 86 G C T 65.67 0.72 10.97 11.46 94.61 -50.14 79.34 2.79 99.84 0.08 0.08 0.42 4.51 94.92 0.00 0.09 0.00 0.06 0.01 87 K E E 117.72 3.00 12.28 17.20 126.35 102.97 -116.26 146.61 4.90 95.10 0.01 3.22 1.25 0.06 0.00 0.00 0.00 95.29 0.17 88 K E E 108.09 7.50 13.54 22.66 114.02 -118.31 -82.09 130.81 1.17 98.83 0.00 1.02 0.03 0.00 0.00 0.00 0.00 98.94 0.01 89 V E E 24.49 13.52 15.20 30.46 129.78 -175.32 -128.09 148.53 0.69 99.31 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.36 0.00 90 R E E 67.63 12.19 20.22 33.21 115.55 -127.74 -94.66 129.92 0.32 99.68 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 91 I E E 21.84 15.01 19.14 35.33 129.03 -172.46 -125.75 146.10 0.23 99.77 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.75 0.05 92 A E E 9.76 16.14 15.32 33.41 110.60 -112.89 -71.66 128.30 6.89 93.10 0.01 6.70 0.15 0.01 0.00 0.00 0.00 92.68 0.46 93 K C T 97.36 9.84 17.34 28.07 94.05 -145.80 -66.28 -32.06 98.51 1.16 0.33 1.06 3.72 93.95 0.01 0.28 0.00 0.89 0.09 94 K C T 135.37 3.45 17.56 21.75 96.70 46.23 -76.18 -38.83 99.30 0.34 0.35 0.16 1.91 97.44 0.00 0.25 0.00 0.14 0.09 95 S C T 59.25 4.47 15.79 21.23 101.22 22.13 -104.90 -14.27 99.60 0.11 0.29 0.51 2.88 96.27 0.01 0.24 0.00 0.06 0.03 96 G C C 36.11 9.66 13.07 23.89 94.81 -121.81 80.00 8.01 99.29 0.56 0.15 84.42 6.38 8.45 0.03 0.13 0.00 0.40 0.19 97 E C C 96.59 4.13 16.67 22.35 117.58 145.22 -75.34 143.65 91.94 8.02 0.03 89.46 2.67 0.14 0.00 0.03 0.00 7.18 0.52 98 E E E 110.39 7.42 15.95 24.76 113.63 -113.52 -77.19 133.14 2.73 97.24 0.03 2.65 0.13 0.01 0.06 0.01 0.00 65.38 31.76 99 I C C 39.56 17.26 10.09 26.80 114.93 -155.83 -98.43 130.33 51.62 48.32 0.06 52.11 0.40 0.06 0.02 0.03 0.00 46.81 0.57 100 K C C 149.68 2.52 18.54 21.56 109.98 -126.36 -81.88 122.57 98.89 1.10 0.00 98.92 0.06 0.02 0.00 0.00 0.00 0.98 0.01