# 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 S C C 55.95 7.16 20.41 27.62 108.90 -127.09 -85.17 109.94 99.75 0.11 0.14 99.69 0.09 0.07 0.09 0.01 0.00 0.04 0.02 1 I H H 27.83 20.39 13.79 33.00 96.05 86.62 -72.81 -28.39 33.27 0.36 66.36 24.63 1.39 6.94 65.54 1.17 0.00 0.13 0.19 2 N H H 65.28 13.05 15.67 28.54 93.05 60.55 -63.29 -40.57 16.95 0.10 82.95 7.56 2.18 6.94 82.13 1.09 0.00 0.04 0.05 3 S H H 69.27 1.94 20.26 20.92 92.40 51.50 -65.76 -39.21 7.39 0.05 92.56 3.22 1.15 3.18 91.25 1.15 0.00 0.02 0.02 4 R H H 86.38 10.25 18.86 29.56 92.25 50.13 -66.23 -40.48 2.53 0.03 97.44 1.01 0.37 1.17 96.81 0.62 0.00 0.01 0.01 5 L H H 6.82 24.29 14.37 38.59 91.52 50.79 -64.02 -41.55 0.97 0.01 99.02 0.35 0.12 0.44 98.85 0.23 0.00 0.01 0.00 6 Q H H 87.70 7.02 20.79 28.41 91.57 53.09 -62.87 -41.12 0.69 0.01 99.30 0.23 0.07 0.32 99.21 0.16 0.00 0.00 0.00 7 L H H 81.33 3.08 22.07 24.55 91.88 50.54 -64.19 -42.00 0.73 0.03 99.24 0.21 0.08 0.39 99.10 0.20 0.00 0.01 0.00 8 V H H 15.16 17.17 15.65 33.46 92.07 49.77 -64.70 -41.97 1.11 0.15 98.74 0.34 0.13 0.61 98.46 0.34 0.01 0.08 0.02 9 M H H 53.09 17.00 14.74 31.04 92.03 50.87 -64.61 -39.47 2.31 0.10 97.58 0.56 0.20 1.46 96.78 0.89 0.01 0.07 0.02 10 K H H 155.97 1.45 19.08 20.00 91.50 52.41 -66.75 -30.65 8.31 0.07 91.63 0.61 0.48 7.14 90.83 0.85 0.02 0.03 0.02 11 S H H 66.26 4.44 16.71 21.97 93.56 50.57 -84.28 -10.10 42.02 0.09 57.90 1.06 2.61 37.18 58.00 1.03 0.03 0.03 0.06 12 G C T 33.85 10.18 16.58 27.24 98.14 -109.54 81.77 9.88 99.18 0.57 0.25 6.51 32.43 60.28 0.05 0.15 0.00 0.52 0.07 13 K C C 94.42 10.37 21.14 31.35 106.74 106.77 -96.15 60.51 70.40 29.19 0.41 52.50 14.71 1.14 0.06 0.37 0.00 30.72 0.49 14 Y E E 36.47 21.57 17.25 38.00 128.63 69.21 -120.63 141.57 10.75 88.98 0.27 9.34 1.45 0.23 0.11 0.16 0.00 87.67 1.03 15 V E E 24.19 16.36 23.11 39.54 122.78 -161.99 -118.62 133.64 6.71 93.24 0.05 6.93 0.18 0.02 0.03 0.02 0.00 91.66 1.16 16 L E E 52.13 16.30 22.99 38.24 120.01 -155.86 -109.54 131.42 24.82 75.15 0.03 21.44 2.55 0.08 0.01 0.02 0.00 75.28 0.62 17 G C S 15.45 10.65 25.16 36.89 123.91 20.12 97.81 159.32 94.66 2.93 2.41 19.12 73.70 1.93 2.78 0.24 0.00 1.50 0.71 18 Y H H 47.60 21.29 16.68 36.89 92.21 -93.75 -61.03 -39.63 2.15 0.01 97.85 0.23 0.44 1.27 97.81 0.24 0.00 0.00 0.00 19 K H H 130.99 3.77 23.56 27.97 91.47 52.33 -62.93 -41.67 0.84 0.00 99.16 0.06 0.07 0.61 99.03 0.23 0.00 0.00 0.00 20 Q H H 75.75 7.23 23.29 30.77 91.81 47.84 -66.11 -40.26 0.26 0.00 99.74 0.03 0.02 0.17 99.57 0.22 0.00 0.00 0.00 21 T H H 1.88 26.29 16.69 43.64 91.29 50.65 -63.75 -43.42 0.10 0.00 99.90 0.01 0.01 0.06 99.89 0.05 0.00 0.00 0.00 22 L H H 26.51 18.40 21.39 39.10 91.25 50.33 -63.22 -42.45 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 23 K H H 110.36 2.60 26.14 27.60 91.58 50.76 -63.76 -41.97 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 24 M H H 25.26 13.44 20.10 34.58 91.49 49.60 -64.35 -42.44 0.08 0.00 99.92 0.00 0.00 0.05 99.90 0.04 0.00 0.00 0.00 25 I H H 4.30 25.39 14.77 40.42 91.38 49.22 -63.71 -43.12 0.20 0.00 99.80 0.01 0.00 0.16 99.69 0.14 0.00 0.00 0.00 26 R H H 124.25 8.85 19.39 28.86 91.09 51.53 -64.22 -34.35 2.05 0.00 97.95 0.02 0.03 2.11 97.64 0.19 0.00 0.00 0.00 27 Q C T 116.87 2.48 20.19 22.17 92.10 52.35 -83.74 -6.37 74.42 0.01 25.57 0.16 0.69 73.13 25.63 0.38 0.00 0.00 0.01 28 G C T 37.55 11.22 15.46 27.05 95.26 -112.54 79.81 11.08 99.77 0.00 0.22 0.45 1.79 97.63 0.09 0.03 0.00 0.00 0.00 29 K C S 110.59 5.88 21.92 28.55 94.41 123.03 -82.56 -17.49 99.77 0.19 0.04 38.36 60.26 1.19 0.01 0.03 0.00 0.07 0.08 30 A C C 4.32 25.16 13.02 38.24 122.20 64.95 -107.03 139.16 93.79 6.18 0.03 83.69 9.48 0.34 0.00 0.05 0.00 6.17 0.27 31 K C S 90.04 9.61 26.53 37.21 100.41 -169.91 -97.22 -27.62 92.35 7.63 0.01 17.10 74.95 0.18 0.00 0.01 0.00 7.67 0.08 32 L E E 11.05 21.02 26.45 46.78 135.37 15.59 -144.32 143.86 1.84 98.16 0.00 1.38 0.36 0.01 0.00 0.00 0.00 98.19 0.04 33 V E E 1.15 27.15 26.78 53.85 121.29 -162.42 -118.92 127.99 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 34 I E E 2.17 25.69 29.25 54.28 117.23 -163.03 -110.37 124.90 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 35 L E E 4.97 24.39 26.75 50.00 128.20 -174.11 -122.28 143.67 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 36 A E E 4.96 22.06 20.70 43.10 115.51 -117.61 -74.88 144.19 24.54 75.45 0.01 23.85 0.52 0.04 0.00 0.01 0.00 75.33 0.26 37 N C T 71.38 11.11 22.08 33.57 93.30 -124.11 -65.65 -24.36 90.81 8.80 0.39 3.46 27.17 60.64 0.01 0.43 0.00 7.92 0.36 38 N C T 96.93 5.05 22.38 28.20 95.30 57.53 -91.94 7.12 97.79 1.90 0.32 7.24 32.60 57.99 0.02 0.38 0.00 1.54 0.22 39 C C C 10.94 23.43 8.86 31.18 117.84 120.23 -75.58 144.26 97.82 1.94 0.24 50.00 47.60 0.43 0.11 0.09 0.00 0.61 1.16 40 P C C 62.20 4.29 18.36 23.38 113.99 -102.63 -63.60 149.02 99.41 0.23 0.36 98.71 0.61 0.24 0.20 0.04 0.00 0.07 0.14 41 A H H 81.09 3.59 13.69 19.21 91.73 -111.48 -57.71 -37.25 18.01 0.06 81.94 1.94 2.13 12.36 65.40 18.06 0.04 0.02 0.04 42 L H H 122.37 1.40 16.90 17.64 91.48 55.60 -65.32 -32.89 15.12 0.06 84.82 1.28 1.44 11.08 68.19 17.90 0.04 0.03 0.03 43 R H H 66.71 14.63 14.25 28.71 94.52 47.78 -78.39 -24.52 11.95 0.10 87.95 2.20 1.30 7.29 69.14 19.96 0.02 0.06 0.03 44 K H H 64.03 17.34 14.58 30.91 92.11 65.62 -60.87 -42.54 4.45 0.03 95.52 1.42 0.66 2.13 93.64 2.13 0.00 0.01 0.01 45 S H H 65.48 2.10 22.85 23.34 91.78 51.25 -64.11 -40.41 4.15 0.01 95.84 0.64 0.35 2.76 94.25 1.98 0.01 0.00 0.01 46 E H H 78.70 7.36 22.06 29.82 91.60 50.24 -64.87 -41.11 2.12 0.01 97.87 0.45 0.18 1.32 96.96 1.08 0.00 0.00 0.00 47 I H H 2.35 26.54 15.38 42.56 91.30 49.84 -64.66 -42.63 0.38 0.00 99.61 0.09 0.04 0.18 99.56 0.13 0.00 0.00 0.00 48 E H H 79.54 12.32 21.60 33.40 91.43 52.18 -62.11 -42.11 0.12 0.00 99.88 0.02 0.00 0.06 99.88 0.03 0.00 0.00 0.00 49 Y H H 129.22 2.07 24.98 25.10 91.63 49.75 -63.54 -42.42 0.09 0.00 99.91 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 50 Y H H 40.47 14.45 20.40 35.21 92.14 48.81 -64.88 -42.34 0.09 0.00 99.91 0.01 0.00 0.06 99.87 0.06 0.00 0.00 0.00 51 A H H 4.35 23.15 14.16 37.50 91.47 50.59 -63.52 -42.18 0.25 0.00 99.75 0.02 0.01 0.18 99.65 0.13 0.00 0.00 0.00 52 M H H 117.42 3.52 20.37 24.55 91.86 49.78 -64.39 -40.39 1.11 0.00 98.89 0.04 0.04 0.98 98.61 0.32 0.00 0.00 0.00 53 L H H 105.08 3.63 19.59 23.52 91.68 50.70 -66.24 -35.07 4.68 0.00 95.32 0.11 0.19 4.26 95.16 0.27 0.00 0.00 0.00 54 A H H 25.53 15.65 14.02 30.05 94.40 48.23 -84.94 -6.22 44.06 0.12 55.82 1.99 4.58 35.48 57.06 0.74 0.02 0.03 0.09 55 K C T 161.63 1.78 20.74 22.47 94.22 -124.66 58.34 38.83 99.24 0.08 0.68 8.85 7.94 82.58 0.42 0.15 0.00 0.04 0.02 56 T C C 23.29 19.57 13.44 32.53 127.03 133.57 -116.49 152.67 97.11 2.81 0.09 76.21 19.67 1.12 0.02 0.07 0.00 2.72 0.19 57 G C E 29.37 7.44 25.23 33.14 116.42 -112.87 -80.22 147.25 53.77 46.14 0.09 47.27 3.93 0.52 0.01 0.08 0.00 47.76 0.43 58 V E E 28.72 23.25 15.17 37.66 123.93 -155.96 -118.63 132.28 9.50 90.49 0.01 8.97 0.40 0.02 0.00 0.00 0.00 90.16 0.44 59 H E E 60.81 12.69 23.69 36.22 121.61 -165.13 -113.62 132.82 1.36 98.63 0.00 1.24 0.05 0.00 0.00 0.00 0.00 98.64 0.07 60 H E E 90.41 13.49 21.50 34.43 117.96 -149.40 -101.62 129.05 2.40 97.59 0.01 2.26 0.08 0.01 0.00 0.00 0.00 97.53 0.12 61 Y E E 42.12 19.15 14.66 33.32 124.75 -171.75 -119.52 139.55 26.92 73.02 0.07 25.75 0.84 0.09 0.02 0.04 0.00 72.59 0.68 62 S C C 78.41 4.07 20.89 25.59 105.94 -161.77 -104.73 31.20 72.45 27.36 0.19 44.83 24.08 2.61 0.03 0.18 0.00 27.72 0.56 63 G C S 29.72 8.91 18.78 28.16 137.07 69.04 157.29 -174.05 92.65 6.96 0.39 15.70 72.70 4.27 0.08 0.28 0.00 6.27 0.71 64 N C C 79.56 5.94 22.65 28.52 122.13 -59.82 -96.51 150.67 95.77 2.31 1.92 82.29 12.13 1.35 1.59 0.43 0.00 1.14 1.07 65 N H H 39.67 20.77 14.42 34.19 93.13 -122.67 -61.83 -35.75 8.27 0.06 91.67 2.08 2.44 3.71 90.71 1.00 0.01 0.02 0.03 66 I H H 92.66 6.70 21.54 28.66 92.55 54.25 -65.14 -40.58 4.10 0.04 95.86 0.72 0.61 2.69 94.90 1.04 0.02 0.02 0.01 67 E H H 90.74 4.99 23.44 28.40 92.41 48.86 -66.14 -40.16 2.31 0.05 97.64 0.58 0.32 1.43 96.44 1.18 0.01 0.03 0.01 68 L H H 5.41 23.02 15.94 39.23 91.97 51.84 -63.58 -43.08 1.06 0.02 98.92 0.21 0.15 0.64 98.27 0.71 0.00 0.01 0.00 69 G H H 8.27 16.04 16.85 33.73 91.51 51.56 -62.64 -42.39 1.78 0.02 98.20 0.34 0.18 1.15 97.32 0.99 0.00 0.01 0.00 70 T H H 90.45 2.33 21.98 23.59 92.17 49.77 -65.78 -40.44 2.34 0.02 97.64 0.30 0.21 1.71 96.13 1.63 0.01 0.01 0.00 71 A H H 43.82 11.36 17.80 29.57 92.32 52.60 -66.90 -34.43 5.91 0.03 94.06 0.29 0.42 5.18 92.71 1.36 0.02 0.01 0.01 72 C H H 23.69 18.08 14.35 32.28 94.74 41.38 -89.03 -7.22 49.53 0.09 50.38 0.81 2.28 45.91 49.19 1.68 0.03 0.03 0.07 73 G C T 57.85 1.75 20.38 21.28 94.79 -115.24 77.70 14.97 99.13 0.04 0.82 4.53 6.19 88.62 0.36 0.26 0.00 0.02 0.02 74 K C C 70.59 11.86 11.36 24.09 129.02 117.44 -116.33 155.52 98.28 0.86 0.86 54.63 40.19 3.38 0.24 0.58 0.00 0.29 0.69 75 Y C S 171.98 2.78 17.46 21.04 97.02 -137.28 -81.89 -11.04 96.17 1.27 2.56 42.11 45.75 8.21 0.42 2.24 0.00 0.58 0.70 76 Y C S 93.66 9.46 18.20 28.48 130.50 59.00 -122.35 155.25 93.69 2.57 3.74 31.53 50.06 12.02 0.47 3.46 0.00 1.56 0.90 77 R C C 102.24 12.20 22.34 33.94 112.24 -102.43 -78.13 130.55 88.91 7.65 3.44 54.33 26.17 8.33 0.53 3.31 0.00 5.70 1.64 78 V C C 12.59 23.06 19.56 42.19 119.33 -156.29 -107.81 129.45 72.14 27.11 0.75 63.04 7.52 1.00 0.27 0.54 0.00 24.67 2.95 79 C C C 19.89 18.88 25.76 43.83 100.65 -169.00 -95.24 -26.62 67.94 31.89 0.17 41.01 26.70 0.70 0.03 0.13 0.00 30.88 0.54 80 T E E 9.71 21.65 27.14 48.25 133.46 16.19 -138.43 141.97 9.27 90.59 0.14 7.86 1.17 0.14 0.03 0.07 0.00 90.45 0.28 81 L E E 2.95 26.33 26.12 51.95 125.48 -167.05 -126.22 135.85 1.30 98.67 0.02 1.18 0.08 0.01 0.01 0.01 0.00 98.66 0.06 82 A E E 9.31 20.55 28.29 48.05 120.58 -159.54 -112.28 130.66 0.84 99.15 0.01 0.74 0.04 0.00 0.01 0.00 0.00 99.18 0.02 83 I E E 7.80 23.80 21.22 45.09 113.36 -152.01 -98.21 120.96 3.14 96.85 0.01 3.05 0.08 0.01 0.01 0.00 0.00 96.60 0.25 84 I C E 58.20 12.64 22.92 35.55 100.17 172.21 -90.77 -26.82 58.80 41.08 0.12 32.23 26.29 0.93 0.02 0.10 0.00 39.85 0.59 85 D C S 64.90 7.71 21.59 29.96 118.72 33.25 -128.44 113.10 89.48 10.02 0.50 28.73 57.61 2.96 0.14 0.31 0.00 9.27 0.97 86 P C T 59.13 14.72 14.53 29.15 97.52 -140.66 -64.43 -15.69 70.99 1.94 27.07 13.91 12.61 44.55 9.50 17.27 0.04 1.18 0.94 87 G C T 43.11 5.12 19.62 25.26 95.79 62.24 -60.22 -24.70 65.89 1.16 32.96 11.04 10.53 43.59 13.20 20.23 0.05 0.63 0.74 88 D C G 51.70 12.73 15.89 29.04 96.93 54.26 -89.90 -2.85 51.39 1.66 46.94 25.41 8.87 17.03 20.87 26.12 0.03 0.82 0.86 89 S H G 22.14 19.84 11.41 30.00 99.58 86.72 -74.78 -17.59 38.81 1.05 60.15 12.49 6.64 18.58 29.22 31.97 0.06 0.53 0.52 90 D H G 106.54 2.87 20.03 23.00 95.37 81.94 -77.29 -13.53 43.10 0.89 56.00 9.25 7.10 24.66 28.79 29.13 0.10 0.47 0.50 91 I H H 73.87 10.48 15.75 26.75 97.72 65.49 -84.12 -18.18 46.65 3.19 50.16 12.64 8.89 24.10 28.97 21.80 0.34 1.91 1.35 92 I C C 38.59 19.65 10.39 28.45 110.08 76.22 -92.98 113.55 57.89 14.13 27.98 41.18 5.94 11.46 21.49 5.59 0.18 7.01 7.15 93 R C C 154.15 4.14 18.23 23.64 113.36 -149.95 -95.38 127.85 99.75 0.21 0.04 99.70 0.08 0.06 0.02 0.00 0.00 0.13 0.02