# 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 106.82 6.55 16.71 24.29 118.36 -151.65 -94.63 134.86 99.95 0.04 0.00 99.85 0.11 0.01 0.00 0.00 0.00 0.02 0.00 1 P C C 65.04 11.48 12.59 24.67 114.29 -107.01 -66.75 149.21 96.84 2.59 0.56 94.97 0.55 1.71 0.12 0.26 0.00 1.95 0.44 2 N C C 84.49 8.59 15.08 24.63 112.24 -135.63 -91.90 127.08 68.00 30.52 1.48 50.81 12.17 4.63 0.35 1.28 0.00 28.25 2.50 3 T E E 80.20 7.27 18.17 26.53 121.97 -134.44 -108.95 136.68 41.57 57.17 1.25 35.23 4.38 1.09 0.62 0.78 0.00 50.38 7.51 4 I C C 20.65 20.49 11.29 31.43 122.22 -158.91 -112.10 136.25 58.26 40.75 0.99 54.47 2.53 0.54 0.63 0.39 0.00 34.18 7.26 5 T C C 65.76 3.90 21.86 25.29 124.48 -144.49 -93.18 162.04 87.67 10.96 1.37 84.03 2.77 0.80 0.89 0.35 0.00 10.13 1.03 6 E C H 96.92 12.86 13.41 26.35 92.33 -108.71 -58.78 -37.44 50.05 1.49 48.46 24.31 9.48 16.72 40.21 7.86 0.02 0.96 0.44 7 E C H 128.98 2.02 18.88 20.48 92.23 53.88 -66.00 -36.63 51.15 0.56 48.30 25.35 5.50 19.20 43.42 5.97 0.01 0.33 0.22 8 N H H 63.84 8.59 18.17 27.56 94.05 46.22 -74.48 -27.03 46.49 0.85 52.66 29.64 4.08 12.87 45.20 7.39 0.01 0.47 0.34 9 L H H 5.31 25.18 13.83 39.09 91.74 64.81 -61.47 -43.99 9.20 0.34 90.47 7.26 0.97 1.69 88.54 1.28 0.00 0.19 0.07 10 M H H 63.28 13.37 20.10 33.23 91.52 51.59 -62.59 -41.21 2.53 0.14 97.33 1.42 0.28 0.88 96.44 0.86 0.00 0.10 0.01 11 K H H 116.73 2.26 24.21 25.16 91.63 50.49 -64.61 -41.29 1.74 0.16 98.11 0.77 0.21 0.82 96.94 1.10 0.01 0.14 0.01 12 M H H 21.85 14.58 18.44 34.03 91.61 49.51 -64.68 -42.57 1.81 0.15 98.04 0.66 0.22 0.99 96.74 1.25 0.01 0.12 0.02 13 I H H 12.05 22.15 15.04 36.95 92.02 49.23 -64.66 -42.18 3.55 0.14 96.32 0.98 0.37 2.16 94.79 1.57 0.02 0.09 0.03 14 A H H 64.77 6.90 18.80 26.60 91.21 53.17 -65.27 -32.31 13.05 0.11 86.85 1.30 0.97 10.56 85.68 1.36 0.04 0.05 0.05 15 D C T 97.39 2.71 18.95 21.58 92.92 53.19 -83.85 -4.93 68.39 0.15 31.46 1.97 3.70 60.64 32.01 1.50 0.01 0.05 0.11 16 G C T 38.79 10.53 15.80 26.66 96.33 -110.90 81.16 9.67 96.02 0.21 3.77 5.61 11.01 79.81 2.50 0.87 0.00 0.10 0.10 17 R C C 119.84 7.02 20.97 28.46 96.85 121.21 -85.00 -11.37 95.83 1.99 2.18 48.45 32.52 15.02 0.54 1.65 0.00 1.21 0.61 18 G C C 7.23 22.84 12.48 34.39 126.37 64.77 -113.24 150.41 81.86 15.41 2.73 65.56 10.70 4.49 0.43 2.56 0.00 15.29 0.97 19 K C S 115.22 5.92 23.42 30.26 101.66 -165.48 -97.32 -27.32 70.02 28.41 1.57 22.97 42.64 3.06 0.37 0.98 0.00 29.38 0.60 20 K E E 83.42 8.06 25.28 34.12 140.02 4.89 -151.19 150.44 10.55 87.79 1.66 7.60 2.23 1.03 0.41 0.85 0.00 87.64 0.24 21 L E E 10.17 25.48 15.90 41.60 128.23 -163.14 -131.28 138.16 3.29 96.18 0.54 2.76 0.31 0.13 0.27 0.14 0.00 96.27 0.11 22 V E E 39.56 10.68 26.66 38.12 124.16 -167.01 -121.95 135.51 2.08 97.59 0.33 1.73 0.15 0.07 0.18 0.07 0.00 97.74 0.06 23 V E E 20.00 22.05 18.34 40.10 117.68 -152.78 -103.87 127.79 5.66 93.53 0.81 4.97 0.36 0.18 0.41 0.21 0.00 93.73 0.14 24 K E E 67.67 11.13 22.06 33.45 126.96 -172.92 -122.28 142.16 21.64 75.52 2.84 17.99 2.75 0.99 1.43 1.04 0.00 75.17 0.63 25 S E E 43.25 12.22 18.05 30.63 119.43 -136.50 -98.50 138.67 40.35 55.25 4.41 32.55 6.35 2.06 2.32 1.94 0.01 53.13 1.64 26 C C C 39.46 13.24 13.01 26.96 115.88 -154.02 -102.88 134.05 62.12 30.55 7.34 45.87 11.63 4.51 3.86 3.50 0.02 28.08 2.52 27 S C C 77.44 3.83 14.98 19.96 109.03 -150.44 -93.83 94.75 72.29 17.97 9.75 45.61 17.21 10.11 4.47 5.20 0.05 14.28 3.06 28 K C T 138.17 3.78 12.03 17.49 110.44 55.45 -94.45 119.61 81.33 5.44 13.23 20.60 22.87 38.98 4.00 8.28 0.05 3.29 1.92 29 G C T 53.91 2.57 13.33 16.48 110.12 14.92 78.55 -125.64 86.75 1.94 11.31 17.56 25.52 44.17 2.02 8.81 0.01 1.06 0.86 30 R C C 163.31 3.10 14.21 18.16 98.33 -2.07 -80.37 -16.46 79.16 8.87 11.97 28.50 26.62 25.38 2.15 9.32 0.03 5.41 2.59 31 L C C 53.48 14.50 10.39 24.52 103.91 62.29 -96.50 23.73 73.88 17.36 8.76 41.30 16.21 17.08 1.58 7.39 0.02 13.18 3.23 32 Q C T 116.69 4.73 16.18 22.63 112.08 140.29 -74.74 132.71 79.18 17.15 3.67 17.14 13.23 49.68 0.63 3.00 0.01 14.22 2.10 33 G C T 37.46 7.11 18.03 25.97 98.80 19.08 85.89 -4.31 81.97 15.66 2.37 12.44 17.85 51.71 0.22 2.26 0.00 14.73 0.78 34 K C E 77.81 10.94 19.08 30.41 121.49 105.99 -102.18 138.08 54.11 44.55 1.35 38.96 11.13 3.69 0.19 1.23 0.00 43.90 0.91 35 V E E 12.93 21.04 16.22 37.34 127.32 -163.98 -124.11 142.61 7.74 92.23 0.03 6.98 0.57 0.07 0.01 0.02 0.00 92.05 0.30 36 K E E 66.60 10.84 24.97 36.15 120.69 -150.41 -110.91 132.64 1.23 98.77 0.00 1.09 0.05 0.00 0.00 0.00 0.00 98.82 0.03 37 L E E 6.05 24.66 18.14 43.20 123.60 -167.06 -119.39 134.24 0.50 99.50 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.00 38 K E E 57.87 10.92 26.22 37.70 117.77 -159.26 -109.23 127.50 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 39 L E E 6.85 23.84 18.29 42.53 120.77 -166.73 -115.81 129.31 0.45 99.55 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.56 0.01 40 R E E 89.04 9.48 23.19 33.09 120.65 -166.54 -116.28 129.79 3.20 96.79 0.01 2.80 0.25 0.03 0.00 0.01 0.00 96.69 0.22 41 T C C 24.15 14.50 14.09 29.38 131.54 170.26 -125.50 173.78 72.35 27.59 0.07 68.01 2.44 0.22 0.01 0.05 0.00 28.76 0.52 42 A C S 82.44 3.18 16.89 20.73 92.99 -87.51 -63.46 -29.83 99.40 0.43 0.17 2.00 74.17 23.32 0.01 0.14 0.00 0.29 0.07 43 K C S 139.55 2.99 16.48 19.92 103.24 20.19 -107.74 -12.66 99.34 0.51 0.15 1.79 75.27 22.35 0.01 0.14 0.00 0.39 0.06 44 Y E E 76.63 9.94 17.05 28.21 139.01 19.54 -147.43 155.26 29.68 70.26 0.06 24.07 4.21 0.30 0.01 0.06 0.00 70.87 0.48 45 L E E 47.13 14.63 18.45 33.48 120.05 -137.38 -110.05 130.22 1.88 98.12 0.00 1.83 0.05 0.00 0.00 0.00 0.00 98.04 0.06 46 Y E E 25.14 18.13 20.16 38.58 127.94 -171.41 -124.50 143.04 0.30 99.70 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 47 T E E 29.76 14.88 23.50 38.52 122.30 -158.67 -116.44 132.76 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 48 L E E 9.46 22.19 21.31 43.33 123.51 -168.99 -119.23 134.38 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 49 T E E 36.80 12.25 25.31 38.00 119.08 -158.76 -112.07 128.26 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 50 V E E 9.31 20.16 15.53 36.36 127.41 -174.01 -122.55 145.21 15.11 84.88 0.00 15.11 0.21 0.00 0.00 0.00 0.00 84.42 0.25 51 P C S 83.57 4.92 21.12 26.73 93.19 -131.09 -69.63 -27.57 96.50 3.40 0.09 6.40 87.55 2.11 0.01 0.06 0.00 3.77 0.09 52 N C S 70.92 3.97 23.25 27.06 137.15 7.20 -147.25 153.43 97.43 0.88 1.70 32.80 60.21 4.48 1.33 0.40 0.00 0.40 0.38 53 A H H 39.00 16.49 12.95 29.16 91.58 -117.88 -60.16 -36.73 7.79 0.07 92.14 1.38 1.26 5.06 83.18 9.02 0.04 0.03 0.04 54 D H H 108.35 1.41 22.04 22.05 91.55 54.87 -63.73 -39.27 6.40 0.04 93.56 0.65 0.67 4.80 84.27 9.52 0.06 0.02 0.02 55 D H H 60.03 7.79 19.99 28.52 92.25 48.30 -67.50 -37.94 5.02 0.05 94.94 1.01 0.62 3.12 84.26 10.90 0.02 0.02 0.02 56 A H H 2.55 25.31 12.74 38.39 91.34 54.74 -62.78 -43.00 3.10 0.02 96.88 0.96 0.46 1.64 94.97 1.94 0.00 0.01 0.01 57 K H H 100.75 8.42 22.09 30.89 91.38 51.91 -62.57 -40.96 0.99 0.00 99.01 0.23 0.08 0.55 98.70 0.44 0.00 0.00 0.00 58 S H H 61.13 2.47 24.66 25.71 91.53 50.99 -64.43 -41.70 0.69 0.00 99.31 0.13 0.05 0.43 98.92 0.47 0.00 0.00 0.00 59 I H H 12.74 19.93 18.44 38.37 92.15 49.12 -64.69 -43.13 0.65 0.01 99.34 0.13 0.05 0.40 98.93 0.49 0.00 0.00 0.00 60 V H H 17.28 21.75 17.06 38.17 91.78 49.96 -64.30 -40.09 1.53 0.01 98.45 0.22 0.12 1.06 97.88 0.71 0.00 0.01 0.00 61 K H H 142.04 2.44 22.06 24.52 92.02 54.12 -65.43 -32.09 13.48 0.03 86.49 0.40 0.47 12.83 85.07 1.17 0.02 0.01 0.01 62 G H H 40.41 5.53 19.77 25.78 94.43 51.75 -78.30 -17.58 42.01 0.08 57.92 1.44 1.91 37.61 57.20 1.73 0.02 0.03 0.05 63 C C C 13.05 23.43 9.97 32.03 107.28 84.90 -80.17 126.48 68.04 3.77 28.19 37.45 17.34 13.63 23.81 4.21 0.06 1.58 1.92 64 K C C 114.39 6.83 18.27 25.67 107.63 -133.82 -77.91 119.53 75.00 5.11 19.89 43.60 10.80 20.78 12.13 7.63 0.03 3.04 1.99 65 D C T 105.40 4.82 15.02 21.16 99.30 -111.02 -76.50 -6.13 80.59 3.83 15.58 24.47 22.65 35.14 6.22 7.93 0.04 2.35 1.21 66 K C C 131.88 4.39 16.70 21.89 97.86 60.06 -86.29 -8.75 79.48 11.03 9.49 29.37 23.93 28.05 2.63 5.67 0.03 8.89 1.42 67 V C C 30.66 18.76 10.27 28.17 122.72 77.24 -112.41 138.23 64.07 34.34 1.59 34.12 26.91 3.92 0.45 1.03 0.00 32.31 1.26 68 E E E 120.09 3.48 22.20 25.80 112.23 -131.32 -87.49 124.29 27.74 71.22 1.04 23.03 3.18 1.22 0.31 0.58 0.00 71.11 0.55 69 V E E 31.99 21.84 11.24 31.96 122.73 -166.37 -114.29 134.16 15.47 84.27 0.26 14.59 0.68 0.14 0.10 0.11 0.00 84.10 0.27 70 Q E E 93.05 5.35 22.38 28.31 122.52 -167.13 -116.60 135.22 9.64 90.14 0.21 9.10 0.40 0.10 0.09 0.08 0.00 90.03 0.20 71 Y E E 94.71 14.46 14.95 29.40 116.84 -142.93 -98.17 128.46 11.30 88.45 0.25 10.56 0.51 0.15 0.11 0.10 0.00 88.08 0.48 72 V E E 51.47 10.88 14.24 26.53 119.42 -166.53 -110.26 131.42 35.68 63.51 0.81 30.46 3.61 1.07 0.28 0.46 0.00 63.29 0.84 73 N C C 93.80 5.62 14.38 21.44 114.52 -138.54 -94.00 130.78 64.69 32.44 2.88 42.70 16.43 5.98 0.56 2.11 0.01 31.11 1.11 74 D C C 90.80 7.47 10.82 19.53 101.23 -144.53 -83.00 4.84 80.26 13.24 6.50 38.92 22.89 19.21 0.92 5.51 0.01 11.38 1.16 75 S C C 78.27 3.38 9.86 15.02 106.68 100.70 -85.29 73.98 88.92 5.45 5.64 70.61 4.02 14.45 1.11 4.23 0.00 4.64 0.93 76 E C C 140.90 2.70 11.84 16.02 105.85 77.65 -84.34 52.20 99.84 0.12 0.04 99.75 0.09 0.07 0.01 0.00 0.00 0.07 0.01