# 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 G C C 46.32 4.91 15.79 21.97 113.88 -126.66 91.31 155.95 99.93 0.06 0.01 99.72 0.15 0.10 0.00 0.00 0.00 0.03 0.01 1 S C C 80.44 4.39 12.93 19.07 113.90 -102.53 -95.88 131.78 95.37 3.39 1.24 79.92 3.63 11.80 0.24 0.94 0.00 2.71 0.76 2 G C C 45.29 4.69 14.49 20.48 113.75 24.68 94.74 -41.78 87.41 11.48 1.11 41.69 27.00 18.96 0.09 1.28 0.00 10.08 0.89 3 G C C 31.56 8.70 15.26 24.90 126.86 -121.51 128.77 175.06 68.07 31.26 0.67 45.23 18.26 3.32 0.06 0.76 0.00 31.71 0.66 4 M E E 50.71 14.54 14.86 29.89 125.98 -119.20 -120.45 142.36 13.77 86.14 0.09 11.99 1.28 0.15 0.01 0.07 0.00 86.19 0.30 5 Q E E 87.61 8.18 20.78 29.55 118.68 -144.14 -105.04 131.33 1.98 98.02 0.01 1.78 0.09 0.00 0.00 0.00 0.00 98.08 0.03 6 I E E 14.51 21.40 15.12 36.64 124.62 -168.88 -120.04 137.40 0.55 99.45 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.00 7 F E E 67.89 8.63 23.77 33.21 117.21 -150.43 -106.67 127.95 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 8 V E E 8.78 22.63 15.98 38.83 123.75 -168.79 -118.70 134.53 0.26 99.74 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 9 K E E 84.24 7.33 22.71 30.62 115.31 -145.78 -102.31 124.49 1.57 98.43 0.01 1.36 0.08 0.01 0.00 0.00 0.00 98.46 0.08 10 T C C 15.32 17.48 13.12 31.03 124.07 -147.30 -88.63 167.16 67.40 32.51 0.09 65.93 0.90 0.14 0.01 0.05 0.00 31.97 1.00 11 L C T 92.98 9.25 14.54 24.80 91.50 -100.44 -63.72 -23.49 98.24 1.17 0.59 1.10 6.82 90.36 0.02 0.59 0.00 1.00 0.11 12 T C T 87.50 3.55 14.83 19.38 93.68 57.81 -86.72 -0.41 99.26 0.23 0.50 0.70 6.78 91.80 0.02 0.50 0.00 0.15 0.04 13 G C S 50.13 3.13 14.60 18.83 98.10 -100.76 88.44 4.52 98.99 0.69 0.32 16.86 80.65 1.60 0.03 0.25 0.00 0.41 0.19 14 K C C 100.48 5.19 14.27 21.41 118.04 135.36 -79.26 143.69 97.08 2.90 0.02 95.94 1.30 0.09 0.00 0.01 0.00 2.48 0.18 15 T E E 77.06 9.02 14.71 25.30 123.71 -148.87 -115.82 137.49 1.82 98.18 0.00 1.75 0.05 0.00 0.00 0.00 0.00 98.04 0.15 16 I E E 30.92 15.37 15.32 31.71 124.78 -170.95 -123.29 136.47 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 17 T E E 74.41 8.32 19.81 29.33 121.12 -154.70 -111.97 132.61 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 18 L E E 22.00 18.85 15.45 34.48 128.42 -176.30 -129.21 141.57 0.70 99.30 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.36 0.00 19 E E E 110.73 5.82 23.62 30.37 116.22 -140.20 -96.81 127.98 1.59 98.41 0.00 1.40 0.07 0.00 0.00 0.00 0.00 98.50 0.02 20 V E E 10.20 22.47 13.51 35.92 132.63 177.91 -135.22 153.37 8.50 91.50 0.00 8.62 0.09 0.00 0.00 0.00 0.00 90.89 0.39 21 E C C 94.07 4.33 24.57 28.50 117.94 -113.88 -80.13 148.69 59.48 40.50 0.03 59.83 0.45 0.05 0.00 0.02 0.00 38.87 0.78 22 S C T 34.45 18.71 13.54 31.73 91.21 -115.41 -61.66 -24.90 99.30 0.35 0.35 0.32 2.15 97.00 0.01 0.26 0.00 0.22 0.03 23 S C T 80.68 2.63 21.29 24.13 92.64 58.72 -89.17 -2.85 99.58 0.15 0.27 0.43 2.28 96.91 0.01 0.25 0.00 0.11 0.01 24 D C C 30.18 14.40 14.48 30.18 117.30 115.95 -70.74 143.59 98.56 1.34 0.10 71.11 27.52 0.20 0.02 0.07 0.00 0.73 0.34 25 T E B 45.45 6.96 24.20 31.58 123.82 -129.59 -88.82 160.83 16.08 83.82 0.10 12.40 0.30 0.01 0.08 0.00 0.00 3.96 83.25 26 I H H 11.63 24.24 14.39 39.09 90.62 -112.37 -58.03 -39.47 3.69 0.04 96.27 0.41 0.43 2.87 95.39 0.84 0.03 0.01 0.01 27 D H H 87.64 5.29 22.29 28.38 91.11 55.31 -62.61 -40.20 2.03 0.01 97.96 0.17 0.16 1.61 97.40 0.64 0.01 0.00 0.00 28 N H H 82.21 3.90 24.00 27.61 92.08 48.56 -66.25 -39.57 1.41 0.02 98.56 0.36 0.19 0.87 97.70 0.85 0.01 0.01 0.01 29 V H H 4.89 23.16 17.16 40.54 91.90 50.11 -64.39 -43.42 0.94 0.01 99.04 0.27 0.12 0.50 98.77 0.33 0.00 0.01 0.00 30 K H H 56.12 17.61 19.52 35.94 91.44 52.42 -61.76 -42.82 0.69 0.01 99.30 0.16 0.07 0.37 99.25 0.15 0.00 0.00 0.00 31 S H H 57.25 2.54 23.52 24.81 91.52 50.45 -63.58 -41.93 1.30 0.01 98.69 0.18 0.10 0.90 98.58 0.24 0.00 0.00 0.00 32 K H H 85.12 6.05 21.77 28.21 92.11 49.20 -65.59 -41.33 2.37 0.02 97.60 0.29 0.18 1.75 97.43 0.32 0.00 0.01 0.00 33 I H H 6.96 21.41 13.74 35.61 91.93 49.44 -64.95 -42.77 4.13 0.12 95.75 0.78 0.62 2.68 95.42 0.39 0.02 0.05 0.04 34 Q H H 74.25 10.21 15.61 26.49 92.35 50.72 -64.25 -41.18 7.55 0.24 92.21 1.99 1.03 4.36 91.78 0.61 0.03 0.12 0.08 35 D H H 118.35 0.89 17.67 16.79 93.68 46.86 -69.26 -36.99 12.29 0.12 87.58 1.95 1.46 8.70 86.86 0.90 0.03 0.06 0.05 36 K H H 124.55 4.19 15.34 20.60 97.96 40.05 -80.12 -34.92 21.85 0.14 78.01 1.42 3.17 17.22 76.90 1.09 0.07 0.04 0.08 37 E H H 85.08 9.44 13.23 23.45 101.09 24.09 -103.61 -7.75 28.40 0.22 71.39 2.64 7.19 18.74 70.36 0.76 0.09 0.05 0.17 38 G C C 58.11 1.56 18.53 19.53 95.36 -118.39 76.25 16.16 99.73 0.10 0.18 65.49 12.34 21.90 0.07 0.09 0.00 0.04 0.06 39 I C C 28.02 16.57 9.43 26.28 117.11 144.52 -91.44 134.39 99.65 0.33 0.01 89.72 9.84 0.04 0.01 0.00 0.00 0.08 0.31 40 P C C 61.20 3.63 20.74 24.40 112.74 -109.68 -64.93 144.45 99.95 0.04 0.01 99.78 0.17 0.02 0.00 0.00 0.00 0.01 0.01 41 P H G 57.81 16.10 11.66 27.21 91.90 -119.03 -58.21 -35.17 10.73 0.06 89.20 0.99 0.84 6.53 0.42 91.18 0.00 0.04 0.00 42 D H G 115.95 1.96 18.87 21.09 90.62 61.37 -70.88 -13.65 10.72 0.10 89.18 0.54 0.78 7.56 0.41 90.64 0.00 0.07 0.00 43 Q H G 86.06 8.06 17.99 27.03 96.72 56.46 -96.15 -0.32 10.91 0.40 88.69 2.00 1.52 5.44 0.47 90.25 0.00 0.30 0.02 44 Q C C 25.02 21.42 13.55 34.48 120.04 96.27 -95.11 138.49 58.47 40.86 0.68 50.46 7.84 0.49 0.21 0.50 0.00 38.57 1.92 45 R E E 94.46 9.15 26.06 35.59 129.11 -173.90 -129.71 141.14 9.42 90.49 0.10 9.61 0.33 0.05 0.04 0.04 0.00 89.14 0.79 46 L E E 6.26 24.70 17.77 43.03 116.36 -139.92 -99.90 129.10 2.72 97.25 0.03 2.35 0.24 0.02 0.01 0.01 0.00 97.31 0.06 47 I E E 32.99 11.45 23.75 36.34 124.15 -168.17 -118.70 135.36 1.00 98.98 0.02 0.84 0.10 0.02 0.01 0.01 0.00 98.98 0.05 48 F E E 28.99 19.42 14.86 34.03 120.79 -173.00 -126.69 124.49 1.84 98.08 0.07 1.24 0.46 0.16 0.02 0.04 0.00 97.52 0.55 49 A C T 61.72 9.31 15.79 26.18 93.71 -21.40 53.29 44.18 99.08 0.61 0.30 0.43 2.64 96.24 0.02 0.20 0.00 0.43 0.04 50 G C T 61.25 1.84 16.02 18.08 95.39 -45.12 81.12 2.38 99.68 0.15 0.17 0.52 3.27 95.94 0.01 0.14 0.00 0.11 0.01 51 K E E 118.00 3.84 15.75 21.44 124.03 105.12 -111.29 141.21 4.02 95.94 0.04 2.39 1.42 0.23 0.02 0.02 0.00 95.02 0.90 52 Q E E 113.23 5.95 16.76 24.47 114.93 -122.05 -80.27 133.24 4.94 95.04 0.02 4.34 0.40 0.05 0.01 0.01 0.00 94.28 0.90 53 L C C 19.23 21.91 9.11 30.00 116.04 -125.72 -83.13 136.52 75.08 24.88 0.04 74.45 0.87 0.08 0.01 0.02 0.00 23.89 0.68 54 E C C 127.47 2.52 20.78 23.07 119.28 -140.42 -95.84 143.35 98.70 1.22 0.08 97.84 0.88 0.23 0.01 0.04 0.00 0.66 0.33 55 D C T 100.08 7.13 13.96 22.55 107.78 -87.60 -60.75 130.16 99.32 0.25 0.43 0.98 3.65 94.77 0.06 0.33 0.00 0.13 0.09 56 G C T 51.93 3.57 17.74 22.05 96.00 19.40 86.85 -2.33 99.58 0.12 0.29 1.62 3.19 94.77 0.03 0.28 0.00 0.09 0.02 57 R C C 82.77 9.70 15.38 26.53 119.39 127.39 -78.88 146.71 95.61 4.29 0.10 77.22 18.48 0.26 0.02 0.09 0.00 2.82 1.11 58 T E B 36.93 8.98 20.97 31.01 123.15 -129.83 -90.09 157.64 14.95 84.96 0.08 10.95 0.45 0.02 0.06 0.01 0.00 7.19 81.31 59 L H G 9.46 24.70 13.00 38.07 91.21 -111.75 -59.53 -35.92 33.05 0.77 66.19 2.40 3.40 26.96 5.50 61.00 0.01 0.51 0.21 60 S H G 63.34 7.62 18.28 26.83 91.35 59.87 -65.01 -32.20 25.12 0.12 74.76 0.73 1.32 22.03 6.42 69.37 0.00 0.08 0.03 61 D H G 101.39 2.73 19.40 22.27 91.80 56.13 -72.35 -24.03 21.91 0.11 77.98 0.92 1.72 18.45 8.13 70.67 0.00 0.06 0.04 62 Y C G 50.17 17.17 12.88 29.67 99.58 52.39 -99.59 6.28 56.12 0.56 43.32 5.04 16.13 34.15 8.33 35.58 0.02 0.26 0.50 63 N C T 116.66 2.60 22.56 25.14 95.26 -121.75 58.82 42.38 95.48 2.22 2.30 26.71 6.32 62.86 0.58 1.45 0.00 1.31 0.76 64 I C C 13.48 24.55 8.88 32.42 114.78 172.38 -83.20 131.08 90.57 9.00 0.43 88.93 1.69 0.26 0.21 0.12 0.00 3.40 5.39 65 Q C C 101.92 3.49 22.06 25.53 126.17 -160.53 -108.27 159.96 95.91 3.52 0.57 94.62 1.11 0.53 0.17 0.23 0.00 1.78 1.55 66 K C T 128.01 7.14 16.20 24.31 103.60 -89.93 -63.56 107.82 93.05 3.06 3.89 2.52 12.68 78.19 0.36 3.38 0.01 2.44 0.43 67 E C T 133.63 3.54 19.23 23.24 96.82 24.27 40.26 10.53 93.04 3.20 3.76 4.13 10.54 77.87 0.26 3.72 0.00 3.29 0.20 68 S C C 20.42 15.74 13.81 30.18 117.65 131.66 -76.77 148.87 91.45 7.24 1.31 76.06 13.70 1.28 0.14 1.38 0.00 6.93 0.51 69 T E E 53.56 9.46 23.38 33.35 121.08 -139.96 -111.33 135.04 17.54 82.35 0.11 16.70 0.88 0.12 0.03 0.07 0.00 81.40 0.79 70 L E E 7.17 24.72 16.82 41.88 123.44 -165.35 -116.78 135.13 2.19 97.78 0.02 2.17 0.10 0.02 0.00 0.01 0.00 97.60 0.10 71 H E E 61.45 10.32 26.22 37.05 118.00 -153.72 -106.84 126.81 1.24 98.73 0.03 1.22 0.06 0.01 0.00 0.02 0.00 98.66 0.02 72 L E E 7.83 24.37 18.09 42.66 120.24 -163.69 -111.45 129.98 1.11 98.85 0.03 1.12 0.04 0.01 0.00 0.02 0.00 98.78 0.02 73 V E E 37.68 10.35 25.17 36.42 120.24 -165.38 -115.35 128.67 1.58 98.41 0.01 1.57 0.05 0.00 0.00 0.00 0.00 98.32 0.05 74 L E E 18.27 21.60 16.99 38.31 122.43 -166.05 -113.45 133.12 4.48 95.50 0.02 4.34 0.18 0.02 0.00 0.01 0.00 95.32 0.13 75 R E E 105.50 7.42 22.30 30.21 118.35 -158.05 -107.96 128.59 12.66 87.28 0.06 11.12 1.04 0.15 0.01 0.04 0.00 87.40 0.23 76 L E E 52.00 16.30 12.04 28.06 116.68 -149.01 -95.09 131.60 29.58 70.29 0.13 27.06 1.74 0.32 0.04 0.09 0.00 69.72 1.04 77 R C C 146.73 4.03 14.84 20.38 117.97 -156.25 -102.78 134.99 56.59 43.29 0.12 54.18 0.92 0.47 0.03 0.07 0.00 43.15 1.18 78 G C C 50.52 3.54 15.95 20.26 111.64 5.10 83.91 -27.80 99.65 0.35 0.00 99.19 0.40 0.10 0.00 0.00 0.00 0.30 0.01