# 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 126.20 3.84 10.18 15.81 115.23 -150.77 -94.85 130.12 99.79 0.19 0.02 99.73 0.10 0.04 0.01 0.00 0.00 0.10 0.02 1 T C C 95.76 3.36 8.41 13.77 116.07 -156.94 -97.15 139.31 87.60 8.99 3.42 84.60 1.10 2.78 1.56 1.13 0.00 6.46 2.38 2 K C C 154.01 2.14 8.61 12.52 114.43 -135.80 -92.05 133.25 78.98 15.56 5.46 57.96 13.95 6.85 2.26 3.19 0.00 12.71 3.07 3 R C C 160.64 3.07 8.73 13.83 116.15 -152.81 -98.81 133.95 76.29 17.80 5.91 57.81 12.63 5.47 2.61 3.39 0.01 14.77 3.32 4 T C C 85.79 5.85 8.64 16.24 118.17 -149.33 -97.97 138.57 75.78 19.15 5.06 61.91 9.00 4.06 2.54 2.60 0.00 16.67 3.23 5 K C C 140.91 3.06 11.85 16.68 117.93 -145.83 -99.39 137.10 72.36 22.15 5.49 52.44 14.94 4.63 3.10 2.50 0.02 19.56 2.82 6 K C C 137.43 4.48 10.73 17.33 113.93 -121.83 -85.56 131.40 67.66 26.70 5.64 52.58 10.10 4.11 3.43 2.48 0.02 22.92 4.36 7 V C C 87.48 5.82 10.52 18.07 118.62 -171.36 -113.23 138.87 68.23 25.54 6.23 51.72 10.95 4.37 4.54 2.32 0.02 20.41 5.66 8 G C C 38.45 4.56 13.61 19.34 123.83 -15.85 107.43 -173.16 69.69 14.49 15.82 39.39 19.57 11.12 10.47 5.40 0.13 10.87 3.06 9 I C T 108.15 4.80 12.88 18.89 96.25 -50.51 -70.47 -27.36 59.40 7.95 32.65 17.90 15.73 27.05 19.46 11.74 0.47 5.27 2.37 10 T C T 72.96 6.64 11.67 19.58 97.83 61.63 -75.95 -25.12 57.05 7.26 35.69 14.85 13.17 29.36 19.48 15.25 0.55 4.76 2.58 11 G C G 39.00 6.64 12.14 20.09 99.44 60.38 -67.04 -30.50 52.18 6.81 41.01 20.95 12.72 19.95 16.89 22.80 0.14 4.49 2.05 12 K C T 145.19 2.55 13.34 16.81 97.77 53.98 -79.77 -14.87 55.45 8.99 35.55 16.51 13.46 26.38 15.82 18.58 0.35 6.37 2.52 13 F C T 135.53 4.05 11.57 16.93 103.08 52.83 -96.02 4.97 59.50 12.29 28.21 19.35 15.28 26.28 13.94 12.89 0.53 8.18 3.55 14 G C C 41.35 4.82 11.98 18.21 122.97 87.92 96.93 175.89 78.91 14.23 6.86 42.87 24.21 12.48 3.35 3.40 0.02 10.43 3.24 15 V C C 99.66 4.87 10.69 17.26 116.72 -86.54 -97.42 134.82 70.37 21.22 8.41 46.34 15.00 8.61 4.90 3.87 0.04 16.14 5.09 16 R C C 162.54 3.13 10.85 15.68 108.91 -158.30 -94.48 104.95 69.34 20.80 9.85 43.59 14.76 10.94 6.00 4.14 0.05 16.30 4.22 17 Y C C 153.91 3.77 10.25 15.52 114.98 58.04 -106.52 123.14 71.21 16.43 12.37 34.47 20.65 17.07 8.50 3.99 0.10 11.80 3.42 18 G C C 39.14 4.04 12.77 18.08 116.72 -7.03 92.14 168.47 79.51 5.75 14.73 46.10 19.72 13.45 12.18 3.27 0.02 3.66 1.61 19 S H H 70.79 3.91 11.08 16.38 95.19 -83.17 -67.29 -32.82 24.57 1.65 73.78 11.89 6.12 8.59 65.65 6.12 0.07 1.11 0.46 20 S H H 73.12 1.81 13.37 15.35 93.15 57.36 -66.04 -38.28 15.92 1.75 82.33 6.75 3.04 7.38 73.49 7.42 0.12 1.41 0.40 21 L H H 75.17 5.84 11.73 19.28 93.04 51.48 -66.85 -38.70 10.23 1.88 87.89 5.08 1.93 4.22 78.39 8.32 0.07 1.68 0.31 22 R H H 108.36 7.74 11.53 20.57 92.53 54.17 -65.01 -38.69 10.59 2.18 87.23 5.50 1.88 4.18 79.12 6.99 0.06 1.94 0.35 23 R H H 151.34 2.00 14.87 17.16 92.83 52.48 -66.58 -37.54 16.60 3.05 80.35 6.75 2.78 7.86 72.89 6.45 0.12 2.64 0.51 24 Q H H 111.27 2.64 14.33 17.59 93.92 51.74 -70.39 -32.28 24.22 4.24 71.54 9.87 4.23 11.01 65.47 5.03 0.11 3.58 0.70 25 T H H 54.59 9.91 10.40 21.34 97.54 57.07 -74.79 -27.00 32.03 7.91 60.05 18.68 5.62 8.99 54.18 4.54 0.09 6.72 1.18 26 K H H 127.44 4.77 13.57 19.88 95.69 68.15 -68.45 -31.79 40.05 9.00 50.96 21.01 6.15 12.41 45.55 5.40 0.10 8.30 1.08 27 K H H 140.96 2.69 14.74 18.15 97.61 55.24 -78.83 -17.56 41.23 13.52 45.26 20.05 6.83 13.85 38.84 6.32 0.16 12.62 1.34 28 L H H 78.23 9.74 11.62 22.27 105.07 72.71 -83.12 33.45 38.01 20.66 41.34 24.96 6.67 6.16 35.90 5.29 0.08 19.42 1.53 29 E H H 104.40 7.00 14.44 22.59 109.39 -151.34 -87.93 113.04 32.57 31.23 36.19 22.96 4.12 4.56 32.40 4.50 0.05 29.57 1.84 30 V H E 71.43 9.96 13.14 23.91 111.84 -157.66 -99.09 118.32 31.59 33.83 34.57 21.53 4.78 5.06 29.98 5.19 0.08 31.24 2.14 31 Q C E 92.60 7.84 14.56 23.51 115.46 -158.70 -104.66 127.87 37.36 32.64 30.00 25.55 5.37 6.12 24.85 5.66 0.10 30.12 2.22 32 Q C C 97.78 8.32 13.92 23.24 109.33 -164.83 -94.02 101.46 50.15 27.83 22.03 27.69 11.52 11.11 16.85 5.59 0.24 24.80 2.21 33 H C C 118.12 6.82 14.25 22.05 107.05 47.48 -94.09 64.73 56.89 28.10 15.02 33.11 12.62 11.56 10.25 4.97 0.09 25.08 2.31 34 A C C 42.82 9.13 13.73 24.24 121.66 128.35 -100.23 147.88 68.19 27.75 4.05 55.71 8.15 3.33 2.37 1.57 0.00 27.50 1.36 35 K E E 130.46 5.22 16.32 23.26 116.46 -121.92 -91.98 133.26 48.35 49.84 1.81 40.79 5.35 1.54 0.83 0.87 0.00 48.86 1.76 36 Y E E 59.20 14.03 12.87 27.59 131.96 172.53 -132.67 152.16 15.81 83.34 0.86 13.34 2.50 0.65 0.56 0.39 0.00 79.94 2.61 37 D E E 90.68 4.18 19.43 24.35 117.19 -126.55 -101.22 132.30 14.61 85.05 0.33 12.65 1.09 0.17 0.29 0.13 0.00 70.67 15.01 38 C C C 13.57 19.38 8.88 28.16 109.93 -123.29 -78.00 123.64 89.31 10.61 0.08 88.72 1.01 0.17 0.02 0.04 0.00 8.85 1.18 39 S C T 78.90 2.77 17.19 20.70 92.87 -150.07 -70.67 -23.54 99.14 0.36 0.50 1.12 10.69 87.37 0.03 0.46 0.00 0.24 0.09 40 F C T 112.77 6.56 14.76 22.41 100.45 44.73 -84.30 -40.54 99.36 0.16 0.49 0.23 5.69 93.53 0.01 0.41 0.00 0.08 0.04 41 C C T 60.19 6.92 13.14 21.62 102.89 18.49 -109.28 -13.79 99.41 0.20 0.39 0.67 6.06 92.72 0.02 0.37 0.00 0.11 0.04 42 G C C 49.41 3.25 14.67 19.08 96.67 -121.16 80.06 5.40 98.22 1.56 0.22 76.12 15.67 6.39 0.05 0.20 0.00 0.99 0.58 43 K C C 96.46 6.13 13.90 21.89 118.98 135.67 -79.07 145.45 90.40 9.48 0.11 80.51 9.68 0.47 0.03 0.10 0.00 7.47 1.75 44 R E E 137.05 7.35 16.54 25.19 111.49 -127.43 -90.43 124.48 14.49 85.36 0.15 12.27 1.68 0.19 0.09 0.08 0.00 68.21 17.49 45 T E E 37.70 11.49 18.63 30.97 133.07 163.14 -133.55 158.60 24.33 75.63 0.05 21.89 1.80 0.12 0.01 0.03 0.00 75.72 0.43 46 V E E 22.30 20.19 15.65 35.64 124.88 -133.44 -119.01 137.64 9.11 90.83 0.06 8.51 0.56 0.07 0.02 0.03 0.00 89.44 1.37 47 Q E E 80.45 7.94 22.95 31.40 127.22 -168.65 -123.77 143.27 6.24 93.73 0.03 5.83 0.37 0.05 0.01 0.02 0.00 93.26 0.47 48 R E E 94.50 14.87 14.66 29.23 111.47 -118.59 -80.40 125.04 13.28 86.63 0.08 12.10 0.90 0.15 0.02 0.05 0.00 85.75 1.03 49 G C E 36.23 7.30 17.15 25.51 101.50 -171.39 -95.03 -30.55 50.57 49.20 0.23 39.42 8.99 1.04 0.03 0.22 0.00 49.69 0.62 50 A C E 52.59 5.02 19.09 24.64 136.89 -9.43 -153.78 160.97 50.28 48.70 1.02 8.33 29.89 14.71 0.10 1.02 0.01 43.23 2.70 51 T C T 79.13 7.83 18.49 26.86 108.18 -60.99 -65.77 127.29 98.29 0.97 0.74 1.91 23.29 73.16 0.03 0.77 0.00 0.65 0.19 52 G C T 17.05 13.95 17.82 32.14 96.24 7.38 86.38 -1.71 98.24 1.34 0.43 2.75 24.92 70.54 0.01 0.51 0.00 1.16 0.12 53 I E E 36.85 12.16 19.73 33.40 121.72 109.01 -112.99 130.46 12.46 87.52 0.01 10.81 1.12 0.05 0.00 0.01 0.00 87.61 0.41 54 W E E 23.31 18.99 17.76 37.28 127.11 -170.45 -121.43 142.89 0.65 99.35 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.33 0.03 55 N E E 52.54 9.37 23.53 33.58 123.13 -158.59 -116.62 135.65 0.38 99.62 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.54 0.07 56 C E E 8.67 19.28 12.25 32.75 109.39 -125.17 -80.49 121.96 12.67 87.32 0.01 12.40 0.31 0.02 0.00 0.01 0.00 86.70 0.56 57 K C T 120.03 4.58 18.69 24.42 94.43 -156.17 -68.90 -30.88 97.42 0.36 2.22 0.56 4.13 92.53 0.04 2.43 0.00 0.25 0.07 58 S C T 65.03 5.17 16.23 22.48 97.32 48.09 -75.70 -39.26 97.28 0.11 2.61 0.18 2.40 94.58 0.03 2.73 0.00 0.06 0.03 59 C C T 57.78 7.06 13.52 22.21 101.12 21.25 -106.24 -8.43 98.12 0.12 1.77 0.47 2.82 94.62 0.04 1.97 0.00 0.06 0.03 60 K C C 151.31 3.13 14.91 19.68 94.18 -126.67 64.52 24.49 98.46 1.15 0.39 46.37 6.39 45.79 0.09 0.27 0.00 0.93 0.16 61 K C C 100.13 5.54 14.68 22.11 121.07 137.26 -90.29 149.51 55.41 44.57 0.03 51.99 2.12 0.11 0.00 0.02 0.00 45.09 0.67 62 T E E 83.13 7.20 16.04 24.85 119.23 -128.52 -100.22 137.10 0.89 99.11 0.00 0.90 0.03 0.00 0.00 0.00 0.00 98.30 0.77 63 V E E 40.92 15.19 13.24 28.75 125.35 -169.52 -122.54 140.43 2.27 97.72 0.00 2.21 0.07 0.01 0.00 0.00 0.00 97.45 0.26 64 A E E 69.42 5.76 17.87 24.57 118.96 -137.83 -94.23 144.02 40.37 59.46 0.18 30.35 7.88 1.34 0.02 0.17 0.00 59.71 0.51 65 G C C 37.72 6.40 17.53 25.04 127.25 36.02 118.88 -175.13 75.70 23.47 0.84 35.38 32.54 8.33 0.09 0.91 0.00 21.38 1.36 66 G C C 35.84 8.48 17.30 26.28 125.12 24.03 104.67 -173.81 82.78 14.25 2.97 44.59 26.45 12.58 0.38 3.00 0.01 10.64 2.36 67 A C S 55.97 11.68 15.42 27.01 101.48 -58.15 -80.33 -6.44 83.19 12.13 4.68 27.19 35.73 21.21 0.60 4.21 0.01 8.58 2.46 68 Y C S 112.59 9.98 16.91 27.18 113.94 70.69 -98.71 117.52 74.59 20.11 5.30 29.76 32.13 14.21 1.27 3.96 0.07 13.01 5.59 69 T C C 73.14 7.21 19.90 27.73 116.62 61.23 -106.30 127.45 79.61 17.14 3.25 58.94 15.02 5.17 1.18 2.27 0.01 12.67 4.74 70 V C C 48.06 16.92 12.53 28.84 108.77 -153.33 -88.20 109.50 83.07 13.78 3.15 63.85 12.16 6.67 1.50 1.79 0.01 9.19 4.85 71 S C C 73.94 5.23 17.23 23.30 102.70 142.40 -99.91 3.25 92.77 4.82 2.41 62.89 23.94 6.17 1.17 1.24 0.00 2.64 1.95 72 T C S 55.67 7.27 13.84 22.67 127.48 100.90 -109.87 158.80 92.38 2.67 4.95 33.77 56.73 1.71 4.84 0.51 0.00 0.62 1.81 73 A H H 82.14 2.31 16.76 19.40 91.84 -108.86 -59.94 -37.35 7.14 0.06 92.80 1.50 1.80 3.91 91.69 1.03 0.02 0.02 0.03 74 A H H 52.67 6.12 17.18 24.17 92.02 52.62 -65.26 -39.86 4.91 0.05 95.04 1.13 0.63 3.05 93.92 1.22 0.01 0.03 0.02 75 A H H 16.73 14.63 14.17 29.81 92.08 50.51 -65.37 -40.88 1.85 0.03 98.12 0.67 0.23 0.91 97.20 0.97 0.00 0.02 0.00 76 A H H 44.59 6.72 18.16 25.98 91.79 52.24 -63.71 -41.53 0.80 0.01 99.19 0.30 0.08 0.35 98.96 0.30 0.00 0.01 0.00 77 T H H 75.49 2.99 21.30 23.50 92.01 50.07 -64.81 -41.63 0.83 0.02 99.15 0.28 0.08 0.40 99.05 0.19 0.00 0.01 0.00 78 V H H 49.28 9.71 18.58 29.13 91.99 48.98 -64.89 -42.40 0.59 0.01 99.40 0.17 0.05 0.29 99.39 0.11 0.00 0.00 0.00 79 R H H 92.51 10.83 18.36 29.33 92.04 50.88 -64.15 -41.33 0.49 0.00 99.50 0.14 0.04 0.23 99.52 0.07 0.00 0.00 0.00 80 S H H 53.38 3.61 20.05 23.50 91.54 50.48 -63.92 -41.67 0.69 0.00 99.30 0.20 0.05 0.34 99.35 0.07 0.00 0.00 0.00 81 T H H 61.60 4.38 19.18 23.90 91.88 50.05 -64.78 -41.82 0.42 0.00 99.58 0.10 0.03 0.21 99.62 0.04 0.00 0.00 0.00 82 I H H 51.34 9.59 16.35 27.14 91.97 49.91 -64.57 -41.91 0.22 0.00 99.78 0.04 0.01 0.11 99.81 0.03 0.00 0.00 0.00 83 R H H 116.88 4.36 18.04 22.93 91.58 50.58 -64.18 -41.18 0.20 0.00 99.80 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 84 R H H 132.90 2.06 17.90 19.41 91.64 50.26 -64.42 -41.29 0.28 0.00 99.72 0.04 0.02 0.17 99.74 0.04 0.00 0.00 0.00 85 L H H 76.00 4.72 15.70 21.45 92.00 49.96 -64.92 -41.07 0.29 0.00 99.71 0.03 0.02 0.17 99.73 0.04 0.00 0.00 0.00 86 R H H 114.81 4.67 14.71 20.39 92.05 50.57 -64.80 -40.85 0.45 0.00 99.55 0.06 0.03 0.27 99.56 0.08 0.00 0.00 0.00 87 E H H 109.93 1.93 14.35 16.36 91.81 50.15 -64.57 -40.41 1.01 0.00 98.98 0.14 0.06 0.65 98.96 0.18 0.00 0.00 0.00 88 L H H 104.11 1.87 12.56 14.90 92.36 49.85 -65.94 -38.92 2.76 0.01 97.23 0.35 0.19 1.90 97.14 0.41 0.00 0.00 0.00 89 A H H 72.47 2.92 10.64 14.86 92.87 51.82 -69.06 -31.15 13.14 0.05 86.81 1.42 0.94 9.93 86.99 0.67 0.01 0.02 0.03 90 E H H 142.93 1.42 10.62 12.65 95.32 52.51 -78.50 -16.27 44.05 0.24 55.71 12.00 1.36 27.93 57.55 0.93 0.01 0.08 0.15 91 A C C 73.91 3.19 10.78 15.49 102.67 84.35 -76.07 17.90 99.69 0.09 0.22 99.08 0.29 0.33 0.22 0.01 0.00 0.04 0.02