# 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 120.94 5.00 11.81 18.15 113.81 -157.52 -91.38 123.58 99.84 0.13 0.03 99.77 0.09 0.04 0.01 0.00 0.00 0.06 0.02 1 T C C 88.47 5.08 8.98 15.94 116.27 -166.98 -96.47 136.98 88.68 5.99 5.33 84.93 1.24 3.36 3.18 1.37 0.00 4.11 1.81 2 K C C 148.90 2.27 10.57 14.52 114.87 -137.70 -93.37 135.76 79.35 11.72 8.93 59.68 12.88 6.30 5.80 3.52 0.01 8.83 3.01 3 R C C 149.39 5.15 9.52 16.57 116.10 -133.00 -91.48 135.02 75.87 12.86 11.27 58.95 10.85 5.26 7.80 4.10 0.01 9.55 3.49 4 T C C 73.00 7.56 9.85 18.72 116.64 -142.16 -94.96 140.09 76.54 10.37 13.09 62.16 8.70 4.86 9.93 3.82 0.01 7.83 2.69 5 K C C 149.99 2.92 12.64 16.98 107.76 -132.67 -87.20 81.58 66.79 11.57 21.64 41.66 16.05 9.11 16.52 5.42 0.07 8.75 2.43 6 K C C 134.39 4.19 11.85 17.77 111.59 -116.91 -88.37 119.90 64.99 12.79 22.22 39.63 15.03 10.57 16.63 5.77 0.10 9.37 2.90 7 A C C 63.11 7.10 10.88 19.28 111.07 -152.55 -94.06 123.38 66.14 8.77 25.08 34.64 17.09 14.65 19.44 5.69 0.12 5.81 2.55 8 G C C 37.30 5.72 14.15 21.00 120.70 24.82 106.20 -155.89 66.82 5.73 27.45 29.13 19.29 19.36 19.48 7.25 0.12 3.61 1.76 9 I C T 98.11 6.15 13.81 21.04 96.38 -39.79 -71.81 -29.22 54.84 5.93 39.23 15.50 14.91 25.73 24.63 12.77 0.60 3.57 2.28 10 V C T 78.68 7.78 12.92 21.67 97.79 55.32 -73.18 -28.96 53.37 6.89 39.74 10.75 11.95 29.89 23.73 15.63 0.96 4.33 2.74 11 G C T 38.94 6.99 13.78 21.87 98.30 56.28 -67.04 -30.19 57.54 7.13 35.33 17.99 13.15 26.67 17.69 17.19 0.25 4.84 2.23 12 K C T 134.74 3.77 15.27 19.94 96.99 54.41 -81.69 -15.93 61.45 10.91 27.64 22.00 15.97 24.62 13.27 13.32 0.32 7.45 3.05 13 Y C C 122.42 7.55 12.85 21.42 109.95 52.10 -97.35 21.99 66.35 15.93 17.72 33.73 15.27 18.04 9.10 7.91 0.25 10.10 5.62 14 G C C 36.09 7.25 12.64 21.06 124.59 127.68 -109.73 172.74 82.80 13.41 3.80 57.89 17.49 7.13 1.74 2.16 0.00 9.46 4.12 15 T C C 79.16 7.05 11.30 19.68 116.84 -98.52 -97.22 142.19 78.66 13.38 7.95 51.64 15.59 10.95 3.54 4.49 0.02 8.36 5.41 16 R C S 178.37 1.87 13.12 15.72 97.39 -128.72 -76.93 -20.55 79.98 5.42 14.60 21.65 30.57 29.21 6.12 7.10 0.07 3.18 2.10 17 Y C T 150.21 3.89 11.81 16.65 102.59 42.02 -98.91 7.39 79.54 4.10 16.37 17.29 30.77 32.89 7.49 7.24 0.08 2.28 1.97 18 G C C 29.61 5.20 13.63 20.52 123.55 -75.37 105.20 164.71 81.27 3.03 15.69 59.57 11.84 9.57 11.12 4.74 0.00 1.48 1.68 19 A H H 68.94 4.36 12.45 18.30 94.36 -94.16 -63.30 -35.27 13.56 0.36 86.08 6.85 2.95 4.60 83.24 2.02 0.01 0.18 0.15 20 S H H 75.38 1.49 16.21 16.94 92.28 54.61 -64.87 -39.00 8.20 0.41 91.40 2.96 1.35 4.28 88.72 2.28 0.04 0.24 0.13 21 L H H 58.90 7.76 14.15 23.43 92.53 50.64 -66.43 -40.07 3.56 0.22 96.22 1.72 0.52 1.57 94.11 1.87 0.01 0.15 0.04 22 R H H 79.00 11.22 13.90 25.95 91.87 53.11 -63.20 -41.39 1.84 0.11 98.04 0.93 0.25 0.72 97.30 0.69 0.00 0.08 0.02 23 K H H 117.32 2.29 19.35 21.03 91.86 50.74 -64.52 -40.32 1.93 0.16 97.91 0.84 0.24 0.83 97.43 0.50 0.01 0.12 0.04 24 Q H H 88.18 3.82 18.69 22.85 91.92 49.97 -65.38 -41.18 2.13 0.18 97.70 0.84 0.26 1.01 97.24 0.47 0.01 0.13 0.04 25 I H H 37.88 13.22 15.12 29.23 92.31 50.70 -64.50 -42.13 1.94 0.14 97.91 0.82 0.24 0.85 97.46 0.48 0.00 0.10 0.04 26 K H H 98.76 7.41 18.17 26.39 91.71 51.49 -62.85 -40.72 2.99 0.23 96.78 1.16 0.34 1.47 96.00 0.80 0.01 0.17 0.06 27 K H H 125.52 2.42 19.45 21.59 91.90 50.57 -65.12 -40.02 5.25 0.30 94.46 1.21 0.51 3.40 93.39 1.18 0.04 0.20 0.08 28 M H H 69.12 8.67 16.95 26.59 92.75 49.84 -67.24 -39.37 9.02 0.69 90.29 2.59 1.18 5.27 88.75 1.49 0.05 0.47 0.18 29 E H H 68.74 10.97 16.39 27.91 92.89 52.98 -65.21 -40.16 13.51 1.84 84.64 6.32 2.14 5.96 81.07 2.74 0.06 1.31 0.41 30 V H H 71.70 5.39 17.84 24.08 92.99 51.55 -67.27 -38.69 16.02 2.29 81.69 8.01 2.70 6.43 74.87 5.73 0.06 1.71 0.49 31 S H H 48.76 6.55 16.32 24.11 94.09 52.58 -70.57 -29.35 21.72 1.38 76.90 9.48 2.88 9.64 67.79 8.84 0.05 0.96 0.37 32 Q H H 79.40 11.51 14.08 25.89 94.02 66.88 -70.52 -22.22 35.28 1.15 63.57 7.44 5.28 22.31 53.60 10.05 0.16 0.68 0.48 33 H C H 121.98 5.35 16.15 22.44 98.33 50.66 -95.46 -0.10 51.36 2.11 46.54 10.91 8.55 32.09 38.10 8.09 0.19 1.19 0.88 34 S C C 49.36 8.20 13.67 23.42 118.98 106.60 -82.17 149.38 83.88 5.83 10.28 58.63 17.17 8.08 7.30 3.27 0.01 3.78 1.78 35 K C C 134.17 4.71 16.91 23.01 113.96 -115.99 -88.10 129.21 78.28 17.17 4.54 52.97 19.37 5.90 2.13 2.42 0.01 14.55 2.65 36 Y E E 60.68 14.73 13.29 28.44 128.98 171.94 -124.60 145.44 42.83 55.13 2.03 29.62 12.02 3.49 0.79 1.36 0.01 49.56 3.15 37 F E B 110.75 5.85 19.77 26.63 120.02 -141.66 -110.05 134.06 9.04 90.80 0.17 7.63 0.70 0.07 0.19 0.04 0.00 44.71 46.66 38 C C C 12.04 19.51 9.89 29.72 109.52 -118.68 -72.83 124.76 91.48 8.49 0.03 92.19 0.46 0.06 0.01 0.01 0.00 6.32 0.96 39 E C T 129.21 3.18 17.35 21.56 92.91 -150.44 -70.85 -25.51 99.67 0.14 0.19 0.47 5.23 94.02 0.01 0.15 0.00 0.08 0.03 40 F C T 114.43 6.14 15.25 22.55 100.05 45.07 -84.07 -41.55 99.75 0.08 0.18 0.07 2.46 97.30 0.00 0.11 0.00 0.03 0.02 41 C C T 61.72 6.13 13.55 21.35 102.25 19.44 -108.67 -14.67 99.79 0.05 0.15 0.18 2.72 96.95 0.00 0.11 0.00 0.02 0.01 42 G C C 47.08 4.00 14.59 20.08 94.84 -122.01 78.67 7.15 99.30 0.52 0.18 76.63 14.29 8.35 0.04 0.14 0.00 0.29 0.25 43 K C C 95.48 5.77 15.53 22.95 120.97 136.07 -82.26 149.02 90.63 9.30 0.07 75.70 15.22 0.32 0.02 0.06 0.00 6.64 2.05 44 F E E 101.40 9.85 17.55 28.05 113.51 -107.37 -81.80 133.83 7.03 92.93 0.05 6.36 0.56 0.03 0.05 0.01 0.00 56.63 36.36 45 A E E 17.72 15.49 18.69 34.46 128.94 172.98 -125.76 162.97 41.61 58.36 0.03 37.51 2.71 0.10 0.01 0.02 0.00 59.29 0.37 46 V E E 20.60 20.31 17.00 37.16 122.80 -105.52 -114.64 135.78 16.46 83.49 0.04 15.47 0.83 0.09 0.01 0.03 0.00 82.28 1.29 47 K E E 93.81 8.01 22.72 31.26 123.74 -163.86 -120.59 134.47 5.57 94.42 0.01 5.21 0.27 0.02 0.00 0.00 0.00 94.14 0.35 48 R E E 92.32 14.70 13.52 28.13 110.32 -122.21 -80.32 123.01 6.47 93.51 0.02 6.15 0.23 0.03 0.00 0.01 0.00 92.94 0.64 49 K E E 119.62 4.58 17.67 23.51 100.45 177.07 -97.93 -27.24 32.37 67.53 0.09 24.87 6.21 0.41 0.01 0.07 0.00 68.11 0.32 50 A E E 47.85 4.22 19.04 23.87 139.19 -5.27 -156.51 165.23 32.82 66.70 0.48 6.92 19.50 8.73 0.05 0.48 0.00 62.81 1.51 51 V C T 92.23 6.93 17.98 25.67 109.88 -61.97 -62.50 132.15 98.86 0.76 0.38 1.59 13.84 83.49 0.02 0.40 0.00 0.54 0.11 52 G C T 17.35 13.72 18.00 32.17 96.26 13.83 86.37 -2.41 98.99 0.83 0.18 1.78 12.95 84.23 0.00 0.22 0.00 0.77 0.05 53 I E E 34.36 12.43 19.68 33.74 121.75 108.58 -110.96 131.57 4.28 95.72 0.00 3.78 0.23 0.01 0.00 0.00 0.00 95.80 0.17 54 W E E 22.89 18.03 18.67 37.31 130.41 -175.46 -126.80 149.76 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.75 0.01 55 G E E 15.54 10.70 23.52 35.02 130.46 -151.20 -120.66 155.31 0.32 99.68 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.65 0.04 56 C E E 8.87 19.88 12.96 33.73 111.00 -119.12 -87.54 121.93 21.02 78.97 0.01 20.87 0.36 0.02 0.00 0.01 0.00 78.05 0.68 57 K C T 126.27 4.42 18.41 24.09 94.06 -152.09 -68.87 -30.76 98.28 0.31 1.41 0.44 4.03 93.93 0.03 1.32 0.00 0.20 0.06 58 D C T 101.45 3.01 16.78 20.53 97.83 45.82 -77.43 -37.61 98.38 0.07 1.55 0.09 2.01 96.51 0.02 1.33 0.00 0.03 0.02 59 C C T 58.24 7.43 13.65 22.61 102.22 19.42 -107.53 -11.85 98.77 0.07 1.16 0.29 2.36 96.16 0.02 1.11 0.00 0.04 0.02 60 G C C 47.62 4.57 15.32 21.40 94.56 -122.66 77.11 8.53 98.99 0.78 0.23 72.66 5.58 20.75 0.05 0.18 0.00 0.62 0.16 61 K C C 93.56 6.80 15.49 24.11 118.92 142.73 -78.89 145.90 77.54 22.44 0.02 76.17 1.40 0.06 0.00 0.01 0.00 21.71 0.64 62 V E E 81.84 9.65 17.09 27.77 120.09 -140.13 -105.83 133.86 0.66 99.33 0.00 0.67 0.02 0.00 0.00 0.00 0.00 98.52 0.78 63 K E E 67.20 14.24 16.13 30.43 129.23 -172.61 -122.52 146.00 1.41 98.58 0.00 1.36 0.05 0.00 0.00 0.00 0.00 98.44 0.14 64 A E E 59.57 9.17 18.37 28.06 118.71 -130.84 -95.60 143.01 35.36 64.50 0.14 29.16 4.57 0.60 0.02 0.12 0.00 65.07 0.45 65 G C C 31.57 7.76 19.48 28.12 129.55 44.11 124.65 -173.65 71.75 27.14 1.11 40.45 25.76 6.06 0.13 1.19 0.00 24.95 1.46 66 G C C 28.79 10.76 19.44 30.03 123.19 -64.48 -80.07 166.98 82.64 13.37 3.99 52.44 20.72 9.58 0.53 4.20 0.00 9.76 2.76 67 A C S 38.53 16.90 15.67 31.77 95.62 -94.33 -72.62 -18.53 84.01 6.97 9.02 24.00 32.42 28.14 1.07 8.00 0.01 4.35 2.00 68 Y C S 117.38 10.20 18.86 28.81 99.10 51.97 -93.00 -2.85 79.27 10.63 10.10 25.62 28.81 26.09 1.83 7.76 0.05 5.92 3.91 69 T C C 62.69 7.60 20.12 28.42 117.50 71.71 -106.96 124.87 81.92 10.29 7.78 56.33 16.35 8.52 2.15 6.01 0.01 5.69 4.94 70 M C C 68.34 16.69 12.92 28.56 98.89 -153.66 -78.67 -7.59 90.49 4.03 5.48 36.84 18.23 36.13 1.63 3.37 0.00 2.12 1.67 71 N C C 110.53 3.93 17.74 22.52 100.17 67.02 -94.91 27.36 93.50 1.67 4.82 37.57 22.80 33.56 1.23 3.26 0.00 0.79 0.79 72 T C S 47.94 9.22 12.31 23.19 122.36 119.32 -90.37 154.89 92.12 2.57 5.31 36.18 54.03 1.65 4.90 0.64 0.00 0.52 2.08 73 A H H 82.42 2.11 17.06 19.41 91.76 -113.49 -59.74 -37.40 8.19 0.06 91.75 1.50 2.03 4.68 90.69 1.04 0.02 0.02 0.03 74 S H H 52.59 6.51 17.60 24.92 92.01 53.61 -65.04 -39.20 5.75 0.05 94.19 1.17 0.72 3.67 93.24 1.15 0.02 0.02 0.02 75 A H H 12.98 16.21 13.97 31.02 92.00 50.92 -64.82 -41.45 1.75 0.03 98.22 0.67 0.22 0.82 97.47 0.80 0.00 0.01 0.00 76 V H H 63.39 6.62 18.92 26.45 91.92 50.80 -63.94 -41.78 0.78 0.02 99.20 0.30 0.08 0.33 99.02 0.25 0.00 0.01 0.00 77 T H H 73.31 2.98 21.46 23.68 91.91 49.81 -64.46 -42.09 0.85 0.03 99.12 0.29 0.08 0.41 99.03 0.17 0.00 0.01 0.00 78 V H H 44.67 10.82 18.52 30.01 92.05 49.05 -64.94 -42.51 0.66 0.01 99.32 0.19 0.06 0.32 99.31 0.10 0.00 0.01 0.00 79 R H H 89.44 11.55 18.23 29.77 91.98 51.01 -64.10 -41.62 0.58 0.01 99.41 0.18 0.05 0.27 99.43 0.08 0.00 0.00 0.00 80 S H H 53.43 3.33 20.12 23.30 91.52 50.50 -64.00 -41.58 0.82 0.01 99.17 0.27 0.07 0.37 99.22 0.07 0.00 0.00 0.00 81 T H H 61.07 4.41 19.21 23.90 91.79 49.85 -64.92 -41.79 0.50 0.00 99.49 0.14 0.04 0.23 99.54 0.05 0.00 0.00 0.00 82 I H H 48.15 10.40 16.06 27.54 91.83 49.94 -64.76 -41.90 0.26 0.00 99.74 0.05 0.02 0.13 99.77 0.03 0.00 0.00 0.00 83 R H H 117.02 4.25 17.76 22.65 91.53 50.53 -63.96 -41.51 0.21 0.00 99.79 0.03 0.01 0.11 99.81 0.03 0.00 0.00 0.00 84 R H H 133.85 1.79 17.80 18.76 91.74 50.11 -64.62 -41.28 0.34 0.00 99.66 0.04 0.02 0.20 99.69 0.05 0.00 0.00 0.00 85 L H H 71.82 4.85 15.21 21.17 91.85 49.83 -64.67 -41.08 0.49 0.00 99.51 0.07 0.03 0.29 99.54 0.07 0.00 0.00 0.00 86 R H H 111.41 5.13 13.84 20.13 91.94 50.63 -64.88 -40.28 1.04 0.00 98.96 0.19 0.07 0.61 98.97 0.15 0.00 0.00 0.00 87 E H H 113.01 1.86 13.65 15.73 91.89 50.73 -65.19 -39.37 2.84 0.01 97.15 0.49 0.23 1.82 97.10 0.35 0.00 0.00 0.00 88 Q H H 121.01 1.52 12.31 14.05 92.80 50.59 -67.65 -36.07 7.78 0.03 92.19 1.29 0.71 5.23 92.12 0.62 0.00 0.01 0.01 89 T H H 93.18 2.56 10.34 13.94 94.68 50.23 -74.25 -27.45 20.92 0.17 78.91 4.43 2.56 13.20 78.71 0.92 0.02 0.06 0.09 90 E H H 139.69 1.70 9.51 12.28 97.87 55.50 -80.77 -11.14 48.97 0.51 50.52 24.10 1.88 21.01 51.51 1.03 0.00 0.18 0.29 91 A C C 79.44 2.61 10.52 14.56 105.74 96.77 -78.38 66.71 99.81 0.05 0.14 99.45 0.16 0.23 0.12 0.01 0.00 0.02 0.01