# 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 117.58 4.82 11.30 17.87 116.10 -159.14 -98.69 131.02 99.75 0.24 0.01 99.74 0.08 0.02 0.00 0.00 0.00 0.14 0.01 1 H C C 136.23 3.27 9.33 14.57 115.73 -153.03 -99.02 130.25 91.91 5.67 2.43 88.38 1.17 2.84 0.89 1.01 0.00 4.40 1.31 2 H C C 132.52 3.57 8.57 14.11 115.42 -157.28 -99.48 130.89 88.75 6.36 4.89 67.49 11.92 9.29 1.28 3.62 0.00 5.02 1.39 3 H C C 135.24 3.45 9.37 14.69 113.04 -151.38 -95.67 124.79 86.75 5.72 7.53 59.01 15.11 12.62 1.67 6.04 0.00 4.26 1.28 4 H C C 130.94 3.66 10.15 15.59 112.63 -160.10 -96.75 123.33 83.00 6.89 10.11 51.73 17.19 14.29 2.20 8.13 0.00 5.06 1.41 5 H C C 122.67 5.25 10.94 17.79 110.64 -148.11 -92.86 113.00 80.34 10.97 8.70 48.69 17.90 14.01 1.72 7.14 0.01 9.17 1.37 6 H C C 102.85 7.03 12.29 20.77 114.18 -171.21 -100.32 127.12 71.09 23.60 5.31 47.90 15.06 7.98 0.93 4.36 0.00 22.47 1.29 7 M C E 93.85 7.94 14.86 24.00 120.01 -148.29 -105.46 136.71 49.47 48.57 1.96 36.95 9.68 2.60 0.37 1.44 0.00 48.16 0.79 8 M E E 45.40 14.16 14.02 28.98 124.66 -166.64 -119.64 140.14 17.71 81.67 0.62 14.55 2.43 0.65 0.13 0.35 0.00 81.59 0.29 9 Q E E 82.35 8.64 19.62 29.01 119.08 -146.39 -106.01 131.60 5.02 94.88 0.10 4.33 0.38 0.08 0.02 0.04 0.00 95.09 0.07 10 I E E 20.97 18.61 15.70 34.65 124.82 -168.93 -119.71 137.96 1.85 98.13 0.02 1.64 0.08 0.01 0.00 0.00 0.00 98.24 0.02 11 F E E 68.95 9.20 22.05 32.21 117.38 -148.33 -104.64 128.73 0.91 99.08 0.01 0.80 0.03 0.00 0.00 0.00 0.00 99.15 0.01 12 V E E 15.67 19.23 16.00 35.55 123.97 -171.24 -118.67 136.37 0.87 99.12 0.01 0.74 0.04 0.01 0.00 0.00 0.00 99.19 0.01 13 K E E 92.36 7.18 20.77 28.77 115.58 -140.91 -99.89 125.49 2.78 97.18 0.04 2.48 0.18 0.03 0.02 0.02 0.00 97.04 0.23 14 T C C 20.49 15.69 12.76 29.15 123.87 -147.96 -87.98 166.97 75.46 24.42 0.12 73.70 0.96 0.20 0.03 0.07 0.00 24.12 0.93 15 L C T 96.78 8.62 13.88 23.68 91.50 -99.81 -63.70 -23.32 97.02 2.31 0.67 1.35 6.41 89.14 0.03 0.66 0.00 2.26 0.15 16 T C T 87.77 3.64 14.46 19.02 93.63 58.44 -87.24 -0.96 99.09 0.35 0.56 0.90 6.24 91.97 0.02 0.56 0.00 0.27 0.04 17 G C S 49.33 3.31 14.23 18.69 98.06 -101.33 88.11 4.62 98.67 0.90 0.43 15.42 80.94 2.44 0.03 0.37 0.00 0.59 0.22 18 K C C 98.73 5.43 14.06 21.45 118.13 135.69 -79.37 143.59 95.19 4.79 0.03 93.15 1.89 0.13 0.00 0.02 0.00 4.58 0.22 19 T E E 75.99 9.10 14.72 25.33 123.38 -148.87 -114.75 137.44 1.50 98.49 0.00 1.43 0.05 0.00 0.00 0.00 0.00 98.35 0.16 20 I E E 30.76 15.46 15.35 31.80 125.06 -171.41 -123.53 137.01 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 21 T E E 73.67 8.32 19.99 29.42 120.87 -153.57 -110.91 132.67 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 22 L E E 20.47 19.35 15.32 34.79 127.31 -174.91 -127.40 140.51 1.90 98.10 0.00 1.68 0.06 0.00 0.00 0.00 0.00 98.23 0.02 23 E E E 111.28 5.62 23.82 30.39 116.65 -140.88 -98.18 128.06 3.84 96.15 0.00 3.45 0.19 0.01 0.00 0.00 0.00 96.29 0.06 24 V E E 9.94 22.63 13.47 36.07 133.42 176.66 -135.58 153.21 15.61 84.39 0.00 15.87 0.21 0.01 0.00 0.00 0.00 82.27 1.63 25 E C C 92.88 4.51 24.75 28.95 115.98 -115.41 -81.14 143.39 89.94 10.05 0.01 90.60 0.28 0.02 0.00 0.00 0.00 8.80 0.31 26 P C T 37.04 19.49 13.53 32.58 91.06 -116.45 -61.01 -25.19 99.53 0.22 0.25 0.35 1.99 97.30 0.01 0.19 0.00 0.13 0.02 27 S C T 79.58 2.86 21.48 24.71 92.32 59.09 -88.74 -2.76 99.69 0.10 0.21 0.42 2.03 97.28 0.01 0.19 0.00 0.07 0.01 28 D C C 30.23 14.25 14.70 30.31 117.56 115.15 -70.57 143.87 98.59 1.30 0.11 72.13 26.57 0.18 0.02 0.08 0.00 0.68 0.35 29 T E B 45.27 7.06 24.20 31.71 122.71 -125.91 -85.39 161.49 17.80 82.11 0.09 13.64 0.34 0.01 0.07 0.00 0.00 3.54 82.40 30 I H H 11.58 24.24 14.59 39.32 90.49 -111.16 -58.02 -39.40 1.93 0.02 98.05 0.26 0.24 1.36 97.71 0.41 0.01 0.01 0.01 31 E H H 108.23 5.70 22.47 28.93 91.08 55.01 -62.67 -40.69 0.78 0.00 99.22 0.08 0.05 0.56 99.03 0.29 0.00 0.00 0.00 32 N H H 80.72 4.05 24.24 28.09 91.96 48.83 -65.74 -40.18 0.46 0.00 99.53 0.10 0.04 0.28 99.25 0.32 0.00 0.00 0.00 33 V H H 4.56 23.16 17.40 40.84 91.67 49.80 -64.39 -43.59 0.27 0.00 99.73 0.05 0.02 0.15 99.66 0.12 0.00 0.00 0.00 34 K H H 55.83 17.44 19.98 36.22 91.42 51.99 -61.92 -42.84 0.22 0.00 99.78 0.03 0.01 0.12 99.78 0.05 0.00 0.00 0.00 35 A H H 52.72 2.83 23.28 25.26 91.32 50.72 -63.14 -42.50 0.48 0.00 99.52 0.04 0.02 0.33 99.51 0.09 0.00 0.00 0.00 36 K H H 84.91 6.00 21.91 28.29 92.04 49.42 -65.42 -41.14 1.27 0.01 98.72 0.12 0.07 0.95 98.71 0.14 0.00 0.00 0.00 37 I H H 7.44 20.83 13.93 35.30 91.80 49.30 -64.70 -42.77 2.75 0.06 97.19 0.45 0.37 1.83 97.08 0.22 0.01 0.02 0.02 38 Q H H 74.58 9.90 15.60 26.25 92.31 50.25 -64.31 -41.38 5.14 0.13 94.74 1.16 0.64 3.11 94.62 0.36 0.01 0.05 0.04 39 D H H 118.27 0.87 17.49 16.59 93.58 45.88 -68.86 -37.66 9.11 0.07 90.82 1.17 0.91 6.78 90.47 0.59 0.02 0.03 0.03 40 K H H 126.60 3.81 15.26 20.12 98.09 38.90 -80.94 -35.81 17.00 0.08 82.92 0.87 1.96 14.06 82.24 0.77 0.05 0.02 0.05 41 E H H 87.99 8.62 13.16 22.76 101.22 24.38 -103.93 -9.20 22.58 0.16 77.27 1.94 5.42 15.41 76.44 0.56 0.07 0.04 0.12 42 G C C 58.19 1.55 17.96 19.06 95.31 -119.43 75.90 15.89 99.76 0.10 0.14 68.20 14.19 17.38 0.06 0.08 0.00 0.05 0.06 43 I C C 30.81 15.51 9.56 25.63 117.15 143.79 -94.08 134.41 99.64 0.35 0.01 87.93 11.62 0.04 0.01 0.00 0.00 0.08 0.31 44 P C C 60.97 3.65 20.66 24.38 112.96 -108.05 -64.52 145.05 99.94 0.04 0.02 99.75 0.19 0.02 0.00 0.00 0.00 0.01 0.01 45 P H G 54.05 16.81 11.58 27.72 91.90 -118.44 -58.17 -35.55 11.54 0.07 88.39 1.12 0.95 7.09 0.51 90.28 0.00 0.04 0.01 46 D H G 114.61 2.16 18.89 21.49 90.43 61.79 -70.30 -14.49 11.17 0.12 88.71 0.62 0.87 7.91 0.51 90.02 0.00 0.08 0.01 47 Q H G 89.30 7.56 18.28 26.77 96.79 56.35 -96.35 -0.58 11.27 0.46 88.27 2.08 1.64 5.76 0.56 89.59 0.00 0.36 0.02 48 Q C C 24.70 21.53 13.41 34.42 120.29 97.12 -94.65 139.39 58.60 40.43 0.97 49.59 8.73 0.67 0.30 0.72 0.00 37.66 2.33 49 R E E 97.30 8.96 26.08 35.42 127.23 -170.34 -125.77 140.06 11.60 88.25 0.16 11.68 0.45 0.08 0.07 0.07 0.00 86.54 1.10 50 L E E 6.49 24.78 17.68 42.95 116.06 -142.21 -99.97 128.67 3.84 96.12 0.04 3.36 0.34 0.03 0.01 0.02 0.00 96.15 0.09 51 I E E 32.21 11.67 23.87 36.63 124.92 -169.23 -118.99 135.93 1.28 98.69 0.03 1.09 0.13 0.02 0.01 0.01 0.00 98.65 0.08 52 F E E 28.75 19.51 15.52 34.75 120.77 -170.91 -126.11 124.85 2.06 97.86 0.08 1.39 0.52 0.19 0.03 0.05 0.00 97.06 0.76 53 A C T 57.34 10.30 16.01 27.25 93.94 -23.78 53.89 43.49 99.09 0.59 0.32 0.40 2.56 96.38 0.02 0.20 0.00 0.40 0.04 54 G C T 59.09 2.45 16.43 19.43 95.13 -47.24 81.17 2.34 99.67 0.14 0.18 0.47 3.13 96.12 0.01 0.14 0.00 0.10 0.01 55 K E E 118.88 3.75 16.30 21.80 123.89 105.05 -110.74 141.34 4.29 95.67 0.04 2.55 1.59 0.25 0.01 0.03 0.00 94.42 1.15 56 Q E E 113.35 5.99 16.96 24.66 114.39 -118.98 -78.20 133.50 6.03 93.94 0.03 5.34 0.49 0.06 0.01 0.01 0.00 92.98 1.10 57 L C C 18.78 22.05 9.09 30.12 115.78 -123.03 -82.09 136.32 78.90 21.06 0.04 78.10 0.91 0.09 0.01 0.03 0.00 20.18 0.69 58 E C C 128.43 2.41 20.94 23.01 119.77 -141.45 -96.31 142.71 98.70 1.20 0.10 97.67 0.99 0.27 0.02 0.05 0.00 0.62 0.39 59 D C T 99.91 7.20 13.96 22.61 107.80 -84.94 -60.72 130.40 99.21 0.27 0.52 1.04 3.94 94.30 0.07 0.40 0.00 0.13 0.11 60 G C T 51.65 3.62 17.74 22.15 95.96 19.73 86.99 -2.57 99.49 0.14 0.37 1.72 3.50 94.28 0.04 0.35 0.00 0.09 0.03 61 R C C 83.13 9.67 15.40 26.51 119.51 126.89 -80.33 146.98 95.30 4.57 0.13 77.80 17.52 0.31 0.03 0.11 0.00 2.95 1.28 62 T E B 36.34 9.13 20.80 31.02 123.40 -131.35 -90.70 158.31 16.77 83.13 0.10 12.66 0.55 0.03 0.07 0.01 0.00 7.63 79.04 63 L H G 10.89 24.31 12.99 37.58 91.08 -111.23 -59.69 -35.95 32.43 0.84 66.72 2.54 3.55 25.97 5.43 61.70 0.01 0.55 0.25 64 S H G 64.75 7.24 18.19 26.42 91.27 59.97 -65.12 -32.13 25.19 0.14 74.68 0.83 1.44 21.89 6.02 69.69 0.00 0.09 0.04 65 D H G 101.50 2.72 19.14 22.04 91.60 56.00 -72.34 -23.54 22.36 0.14 77.50 1.05 1.83 18.81 7.53 70.64 0.00 0.08 0.05 66 Y C G 51.18 17.07 12.80 29.53 99.21 52.74 -99.11 6.03 56.24 0.68 43.08 4.89 14.82 35.78 7.60 35.98 0.03 0.33 0.56 67 N C T 116.94 2.57 22.46 24.97 95.18 -121.36 59.19 42.24 95.69 1.63 2.67 23.48 6.34 66.27 0.64 1.79 0.00 0.98 0.50 68 I C C 13.23 24.53 8.82 32.36 114.74 172.75 -83.02 132.42 89.77 9.76 0.47 87.90 1.86 0.29 0.23 0.14 0.00 3.80 5.78 69 Q C C 101.20 3.42 22.36 25.61 126.81 -163.59 -112.73 159.50 94.81 4.52 0.67 93.28 1.22 0.60 0.22 0.27 0.00 2.62 1.80 70 K C T 127.10 7.81 15.74 24.53 100.41 -90.52 -62.42 -24.15 91.94 3.77 4.29 2.57 11.15 78.67 0.48 3.63 0.00 3.07 0.42 71 E C T 135.10 3.16 19.32 22.80 96.35 33.67 -70.69 5.33 92.43 3.44 4.13 3.87 9.33 78.73 0.34 3.99 0.00 3.55 0.19 72 S C C 21.07 15.55 13.82 30.05 117.54 128.23 -75.94 148.19 90.99 7.41 1.59 74.60 14.54 1.54 0.21 1.57 0.00 6.93 0.61 73 T E E 52.57 9.69 23.15 33.38 121.03 -138.19 -110.42 134.75 20.51 79.27 0.22 19.17 1.31 0.24 0.07 0.15 0.00 78.01 1.05 74 L E E 7.77 24.64 16.91 41.83 123.17 -164.41 -116.59 133.92 2.98 96.97 0.06 2.83 0.18 0.04 0.02 0.03 0.00 96.75 0.14 75 H E E 62.43 10.39 26.19 37.02 117.85 -156.04 -108.36 127.12 1.46 98.50 0.05 1.39 0.09 0.02 0.01 0.03 0.00 98.43 0.03 76 L E E 9.93 23.98 18.07 42.17 119.13 -162.42 -109.01 128.45 1.49 98.46 0.04 1.44 0.07 0.02 0.01 0.02 0.00 98.41 0.03 77 V E E 40.03 10.43 24.65 35.91 119.58 -164.95 -115.60 128.25 2.33 97.64 0.03 2.17 0.12 0.02 0.01 0.01 0.00 97.62 0.05 78 L E E 25.75 20.26 16.87 36.86 121.72 -163.99 -112.59 132.88 4.70 95.27 0.02 4.49 0.22 0.02 0.01 0.01 0.00 95.12 0.14 79 R E E 108.66 7.72 20.78 29.21 119.14 -156.79 -105.52 130.55 13.21 86.70 0.09 12.11 0.80 0.12 0.02 0.05 0.00 86.51 0.39 80 L E E 63.66 14.36 12.22 26.59 116.56 -147.76 -93.28 132.34 42.87 56.69 0.44 37.58 3.63 0.92 0.12 0.32 0.00 56.07 1.37 81 R C C 147.89 4.43 13.10 19.16 114.42 -144.43 -95.56 135.63 70.49 28.61 0.90 49.17 12.61 8.26 0.18 0.83 0.00 27.11 1.83 82 G C C 57.73 2.30 12.53 15.91 112.10 -2.17 85.69 161.46 91.64 7.84 0.52 70.27 8.57 12.48 0.08 0.45 0.00 7.25 0.90 83 G C C 52.61 3.14 13.77 18.22 112.35 9.83 87.19 -34.29 99.77 0.22 0.01 99.40 0.29 0.12 0.00 0.00 0.00 0.16 0.02