# 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 42.28 16.40 17.11 33.33 123.41 -168.46 -112.34 137.43 97.26 2.74 0.00 96.92 0.13 0.01 0.00 0.00 0.00 2.93 0.02 1 Q E E 81.77 8.57 21.24 30.28 118.60 -144.03 -102.68 130.89 8.50 91.50 0.01 8.66 0.12 0.01 0.00 0.00 0.00 90.98 0.22 2 I E E 10.99 22.12 15.14 37.51 124.20 -166.14 -119.01 135.60 1.22 98.78 0.00 1.20 0.04 0.00 0.00 0.00 0.00 98.74 0.02 3 F E E 56.52 9.08 24.62 34.73 117.20 -152.17 -105.48 128.65 0.24 99.76 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 4 V E E 5.59 24.01 16.59 41.08 123.53 -168.83 -118.17 134.43 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 5 K E E 79.77 7.80 23.86 32.18 115.78 -146.32 -101.59 124.72 1.62 98.37 0.01 1.41 0.08 0.01 0.00 0.00 0.00 98.42 0.08 6 T C C 13.06 18.68 13.64 32.62 124.50 -151.66 -90.99 166.89 65.82 34.10 0.09 64.41 0.86 0.14 0.02 0.05 0.00 33.57 0.96 7 L C T 87.32 10.27 15.22 26.29 91.56 -99.72 -63.93 -22.99 98.27 1.08 0.65 1.03 6.74 90.57 0.02 0.64 0.00 0.87 0.12 8 T C T 84.07 4.34 15.45 20.85 94.04 57.72 -87.11 -0.43 99.17 0.24 0.59 0.68 6.82 91.70 0.02 0.59 0.00 0.15 0.05 9 G C S 49.01 3.42 15.23 19.73 98.65 -100.91 88.98 4.41 98.89 0.75 0.37 15.51 81.84 1.67 0.03 0.29 0.00 0.45 0.20 10 K C C 99.08 5.72 14.83 22.36 118.02 134.47 -79.58 143.17 96.84 3.14 0.02 95.65 1.33 0.09 0.00 0.01 0.00 2.72 0.18 11 T E E 74.35 9.92 15.19 26.38 123.64 -150.16 -116.32 137.46 1.92 98.08 0.00 1.83 0.06 0.00 0.00 0.00 0.00 97.94 0.16 12 I E E 28.54 16.03 15.95 32.86 124.36 -170.20 -122.71 136.21 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 13 T E E 71.77 8.72 20.74 30.39 120.92 -154.86 -111.09 132.39 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 14 L E E 18.73 20.12 15.26 35.41 127.28 -175.27 -127.86 140.41 2.77 97.22 0.00 2.79 0.05 0.00 0.00 0.00 0.00 97.10 0.05 15 E E E 114.04 5.02 24.32 30.19 114.58 -140.30 -96.58 126.98 12.02 87.97 0.01 11.66 0.36 0.02 0.00 0.00 0.00 87.85 0.10 16 V E E 10.23 23.60 12.47 35.81 131.72 174.40 -132.42 152.70 42.33 57.64 0.03 42.45 0.67 0.04 0.01 0.02 0.00 55.23 1.58 17 E C C 98.58 3.86 24.40 27.63 118.81 -124.95 -87.49 152.37 79.96 19.96 0.08 80.53 0.57 0.10 0.02 0.05 0.00 17.01 1.73 18 S C T 42.73 17.20 13.39 30.06 91.24 -111.63 -61.85 -24.24 99.33 0.29 0.38 0.48 2.70 96.28 0.03 0.30 0.00 0.18 0.04 19 S C T 82.59 2.26 20.87 23.09 93.02 57.81 -89.64 -3.03 99.55 0.16 0.29 0.56 2.59 96.41 0.01 0.31 0.00 0.11 0.01 20 D C C 29.33 14.60 13.89 29.77 116.95 116.80 -70.98 143.69 98.54 1.34 0.12 72.67 25.96 0.21 0.02 0.08 0.00 0.69 0.37 21 T E B 45.22 6.97 24.20 31.55 123.81 -128.33 -88.25 161.30 13.63 86.26 0.11 9.91 0.29 0.01 0.09 0.01 0.00 4.00 85.69 22 I H H 11.20 24.29 14.55 39.30 90.47 -111.42 -58.13 -39.30 4.09 0.06 95.85 0.40 0.46 3.30 94.78 0.95 0.05 0.03 0.02 23 D H H 85.60 5.65 22.30 28.69 91.18 55.06 -62.82 -40.14 2.39 0.01 97.60 0.22 0.20 1.90 96.96 0.70 0.01 0.00 0.00 24 N H H 81.52 3.96 24.08 27.78 92.16 48.82 -66.29 -39.71 1.56 0.04 98.40 0.46 0.22 0.93 97.46 0.89 0.01 0.02 0.01 25 V H H 4.62 23.29 17.25 40.78 91.77 50.28 -64.28 -43.65 1.02 0.02 98.96 0.32 0.14 0.54 98.63 0.35 0.00 0.01 0.00 26 K H H 53.85 17.75 19.56 36.16 91.47 52.14 -61.93 -42.50 0.69 0.01 99.29 0.17 0.07 0.38 99.20 0.17 0.00 0.01 0.00 27 S H H 57.61 2.56 23.48 24.82 91.57 50.50 -63.64 -41.98 1.42 0.01 98.56 0.20 0.11 1.01 98.33 0.33 0.00 0.01 0.00 28 K H H 84.88 6.17 21.64 28.25 92.13 49.38 -65.61 -41.21 2.66 0.03 97.32 0.29 0.20 2.06 97.02 0.40 0.01 0.01 0.01 29 I H H 7.10 21.46 13.80 35.68 91.91 48.99 -65.23 -42.49 5.01 0.16 94.83 0.85 0.75 3.42 94.35 0.48 0.03 0.07 0.05 30 Q H H 74.11 10.47 15.59 26.65 92.33 51.14 -64.22 -41.09 11.25 0.48 88.27 3.06 1.66 6.56 87.42 0.83 0.05 0.23 0.18 31 D H H 118.53 0.90 17.67 16.82 93.55 47.05 -69.52 -36.67 18.95 0.22 80.83 3.12 2.43 13.34 79.60 1.25 0.06 0.10 0.09 32 K H H 123.48 4.35 15.34 20.78 98.09 41.92 -80.04 -34.65 30.87 0.21 68.93 1.96 4.85 23.84 67.50 1.54 0.09 0.07 0.14 33 E H H 85.25 9.56 13.43 23.72 101.22 23.83 -103.62 -7.48 36.84 0.31 62.85 3.24 9.44 24.26 61.49 1.13 0.12 0.08 0.24 34 G C C 57.01 1.77 18.64 20.03 95.41 -117.18 76.13 15.93 99.67 0.12 0.21 64.24 13.36 22.08 0.08 0.11 0.00 0.05 0.07 35 I C C 26.58 17.05 9.59 26.85 116.96 143.90 -91.30 133.31 99.61 0.38 0.01 91.42 8.08 0.04 0.01 0.00 0.00 0.09 0.36 36 P C C 60.41 3.75 20.84 24.70 112.57 -110.12 -64.98 144.29 99.94 0.05 0.01 99.76 0.18 0.02 0.00 0.00 0.00 0.01 0.02 37 P H G 57.26 16.22 11.78 27.44 91.96 -118.97 -58.20 -35.24 10.96 0.08 88.97 1.09 0.90 6.50 0.40 91.06 0.00 0.05 0.00 38 D H G 115.32 2.06 18.99 21.36 90.75 61.36 -70.94 -13.81 11.11 0.12 88.77 0.58 0.84 7.72 0.39 90.39 0.00 0.08 0.00 39 Q H G 84.86 8.30 18.01 27.26 96.96 56.58 -96.41 0.38 11.26 0.45 88.29 2.10 1.57 5.52 0.43 90.01 0.00 0.35 0.02 40 Q C C 24.57 21.48 13.69 34.68 120.72 94.55 -96.60 138.86 52.61 46.88 0.51 46.12 6.59 0.39 0.15 0.38 0.00 44.70 1.67 41 R E E 94.33 9.24 26.02 35.60 129.21 -171.03 -128.91 141.05 6.90 93.04 0.06 7.04 0.22 0.03 0.03 0.03 0.00 92.03 0.62 42 L E E 6.79 24.56 17.77 42.82 116.19 -139.84 -100.33 128.82 1.99 97.99 0.02 1.70 0.16 0.01 0.00 0.01 0.00 98.07 0.04 43 I E E 33.19 11.45 23.67 36.26 123.77 -168.53 -118.47 135.00 1.02 98.96 0.02 0.84 0.11 0.02 0.01 0.01 0.00 98.98 0.04 44 F E E 28.94 19.43 14.92 34.10 120.18 -171.50 -125.96 123.35 1.86 98.07 0.07 1.19 0.49 0.20 0.02 0.04 0.00 97.54 0.52 45 A C T 60.36 9.55 15.77 26.39 93.72 -19.86 53.83 42.37 99.13 0.58 0.29 0.37 2.40 96.59 0.02 0.19 0.00 0.39 0.04 46 G C T 60.98 1.92 16.07 18.32 95.34 -47.65 80.55 2.72 99.70 0.13 0.17 0.45 2.93 96.37 0.01 0.13 0.00 0.09 0.01 47 K E E 118.56 3.76 15.80 21.39 123.81 105.68 -110.72 141.09 3.94 96.03 0.04 2.31 1.40 0.23 0.01 0.02 0.00 95.08 0.94 48 Q E E 113.58 5.82 16.85 24.40 114.40 -120.00 -78.74 133.53 5.36 94.62 0.03 4.69 0.45 0.05 0.01 0.01 0.00 93.80 0.99 49 L C C 18.25 22.20 9.05 30.23 115.74 -123.33 -82.01 136.38 77.35 22.61 0.04 76.52 0.91 0.08 0.01 0.02 0.00 21.82 0.64 50 E C C 127.22 2.55 20.93 23.25 118.77 -141.10 -94.90 142.79 98.78 1.13 0.09 97.85 0.90 0.25 0.01 0.04 0.00 0.61 0.33 51 D C T 98.43 7.57 14.07 22.97 107.95 -87.48 -61.43 131.58 99.28 0.27 0.45 1.12 3.84 94.39 0.06 0.35 0.00 0.14 0.10 52 G C T 51.35 3.80 17.83 22.43 96.07 20.39 86.70 -2.46 99.54 0.14 0.31 1.88 3.43 94.25 0.03 0.29 0.00 0.10 0.02 53 R C C 83.42 9.67 15.52 26.62 119.38 127.44 -79.47 146.88 95.48 4.41 0.11 77.04 18.55 0.27 0.03 0.09 0.00 2.83 1.20 54 T E B 37.80 8.98 20.99 31.00 123.02 -130.46 -90.01 157.83 15.94 83.97 0.09 11.63 0.47 0.02 0.06 0.01 0.00 6.72 81.08 55 L H G 9.20 24.75 12.89 37.98 91.18 -111.56 -59.58 -35.78 30.78 0.62 68.60 2.43 3.16 24.68 5.29 63.85 0.00 0.42 0.17 56 S H G 65.17 7.20 18.32 26.54 91.20 60.65 -65.02 -31.88 22.86 0.12 77.02 0.75 1.28 19.84 6.22 71.80 0.00 0.08 0.03 57 D H G 101.20 2.76 19.30 22.26 91.59 56.56 -72.15 -22.73 19.88 0.11 80.01 0.95 1.66 16.43 7.76 73.11 0.00 0.06 0.04 58 Y C G 48.97 17.41 12.83 29.84 99.32 52.67 -98.31 5.87 53.30 0.55 46.15 4.86 14.92 32.60 7.77 39.12 0.02 0.26 0.45 59 N C T 116.77 2.59 22.60 25.15 95.11 -121.93 58.97 42.55 95.28 1.96 2.76 25.51 6.38 63.83 0.66 1.84 0.00 1.19 0.60 60 I C C 12.75 24.69 8.81 32.51 115.22 172.52 -83.19 132.90 89.59 9.99 0.41 87.89 1.72 0.24 0.21 0.12 0.00 3.76 6.06 61 Q C C 101.70 3.31 22.43 25.56 126.83 -161.78 -111.47 160.17 95.36 4.15 0.49 94.19 1.06 0.47 0.15 0.18 0.00 2.21 1.74 62 K C T 125.95 7.62 15.95 24.55 103.17 -88.57 -62.85 115.57 93.96 3.07 2.97 2.20 11.33 80.89 0.31 2.41 0.00 2.46 0.40 63 E C T 134.29 3.51 19.39 23.33 96.14 24.37 33.12 9.16 94.23 2.96 2.81 3.26 9.64 80.97 0.20 2.66 0.00 3.10 0.17 64 S C C 20.74 15.32 14.06 30.17 117.88 131.15 -77.11 148.86 91.62 7.42 0.96 74.46 15.64 1.15 0.11 0.99 0.00 7.14 0.52 65 T E E 52.08 9.74 23.30 33.58 120.19 -137.84 -110.70 133.96 18.06 81.84 0.10 17.30 0.85 0.12 0.02 0.06 0.00 80.92 0.73 66 L E E 6.84 24.78 17.16 42.27 123.34 -165.90 -116.65 134.61 1.85 98.14 0.02 1.83 0.09 0.01 0.00 0.01 0.00 97.96 0.10 67 H E E 57.27 10.67 26.49 37.76 117.95 -154.73 -106.89 127.13 0.94 99.03 0.02 0.93 0.04 0.01 0.00 0.01 0.00 98.98 0.02 68 L E E 7.37 24.59 18.36 43.26 119.58 -162.49 -109.18 128.94 1.00 98.98 0.02 1.00 0.03 0.01 0.00 0.01 0.00 98.93 0.02 69 V E E 36.97 10.57 25.22 36.65 119.84 -165.27 -115.26 128.81 1.94 98.05 0.01 1.86 0.07 0.01 0.00 0.00 0.00 98.00 0.05 70 L E E 22.47 20.97 16.95 37.64 120.44 -161.21 -109.52 131.79 6.05 93.91 0.04 5.77 0.26 0.03 0.01 0.02 0.00 93.72 0.18 71 R E E 106.93 7.70 21.31 29.66 118.56 -157.45 -104.83 130.15 18.46 81.37 0.17 16.68 1.28 0.23 0.04 0.10 0.00 81.27 0.40 72 L E E 63.69 14.58 12.34 26.88 116.21 -145.66 -90.67 132.50 45.73 53.66 0.61 39.41 4.30 1.22 0.17 0.44 0.00 53.04 1.42 73 R C C 145.96 4.56 13.22 19.43 116.10 -153.26 -100.05 134.69 69.63 29.31 1.07 48.86 12.45 8.13 0.23 0.95 0.00 27.32 2.04 74 G C C 57.61 2.24 12.63 15.99 113.04 0.18 84.63 164.09 90.27 9.17 0.56 69.64 8.53 11.76 0.10 0.48 0.00 8.54 0.96 75 G C C 52.41 3.22 13.86 18.43 112.86 7.10 84.90 -44.84 99.77 0.22 0.01 99.44 0.27 0.10 0.00 0.00 0.00 0.16 0.01