# 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 128.84 4.43 11.19 17.03 116.45 -160.97 -97.54 132.73 99.83 0.16 0.01 99.80 0.08 0.03 0.00 0.00 0.00 0.08 0.01 1 S C C 82.64 3.11 8.67 13.71 115.97 -157.57 -96.70 137.85 94.19 4.92 0.89 91.32 1.25 2.05 0.33 0.35 0.00 2.70 2.00 2 G C C 57.25 2.35 8.65 12.63 113.58 -148.81 -97.29 144.05 91.85 6.32 1.83 65.47 15.23 10.98 0.45 1.52 0.00 3.87 2.47 3 G C C 54.74 2.76 8.52 12.92 114.01 -34.27 -99.09 165.74 91.64 5.40 2.96 48.20 27.87 15.75 0.56 2.57 0.00 2.95 2.09 4 S C C 92.45 1.65 9.20 12.06 105.93 -93.20 -89.82 21.26 89.95 5.20 4.85 44.90 28.78 16.49 1.00 3.88 0.00 2.59 2.36 5 T C C 104.11 2.30 8.60 12.41 105.57 61.56 -90.62 23.74 89.64 3.50 6.85 38.70 26.78 24.54 1.24 5.47 0.00 1.72 1.54 6 G C C 51.72 2.96 10.17 14.63 111.52 -101.51 62.70 17.69 90.93 3.52 5.55 39.67 31.61 20.01 0.96 4.50 0.00 1.85 1.40 7 E C C 142.56 2.11 10.54 14.04 111.13 -7.11 -90.03 121.31 88.08 7.29 4.63 54.14 26.53 7.70 1.28 3.23 0.00 3.70 3.41 8 R C C 118.46 6.68 8.95 17.31 118.01 -129.67 -95.20 136.06 93.15 6.07 0.77 64.82 28.41 0.66 0.53 0.27 0.00 3.18 2.12 9 P C C 70.65 3.75 12.42 17.75 114.07 -106.52 -66.75 151.55 83.98 14.07 1.95 83.05 1.43 0.34 1.83 0.21 0.00 4.49 8.65 10 F H H 143.60 2.98 11.56 16.19 92.64 -113.72 -59.28 -36.64 5.72 0.04 94.24 1.45 0.89 3.39 91.38 2.85 0.01 0.02 0.02 11 S H H 67.61 2.67 13.43 16.92 92.29 55.80 -65.15 -36.91 2.26 0.02 97.72 0.44 0.23 1.45 94.73 3.13 0.00 0.01 0.01 12 D H H 72.93 4.47 13.51 19.41 92.97 52.05 -67.12 -38.27 0.91 0.01 99.07 0.26 0.10 0.49 95.90 3.23 0.00 0.01 0.00 13 I H H 83.87 4.24 13.92 19.50 92.69 51.46 -65.80 -41.18 1.22 0.02 98.75 0.29 0.13 0.72 97.11 1.73 0.00 0.02 0.00 14 I H H 92.61 2.80 15.63 18.74 92.73 49.09 -66.28 -41.06 3.56 0.11 96.33 0.81 0.43 2.24 95.37 1.04 0.01 0.07 0.03 15 T H H 62.24 4.19 14.93 20.36 93.00 49.47 -66.48 -40.75 12.09 0.22 87.69 2.80 1.62 7.23 87.34 0.83 0.01 0.09 0.08 16 S H H 50.66 4.61 14.69 20.75 92.82 52.59 -65.01 -40.99 15.94 0.29 83.77 6.00 2.19 6.77 84.13 0.68 0.01 0.12 0.10 17 I H H 94.75 2.53 16.26 18.84 92.31 49.82 -65.47 -41.47 4.34 0.10 95.56 1.77 0.62 1.76 95.43 0.35 0.00 0.05 0.02 18 R H H 128.46 2.91 16.07 19.47 92.30 50.34 -65.18 -40.82 1.66 0.05 98.28 0.64 0.17 0.80 98.08 0.26 0.00 0.04 0.01 19 Y H H 107.90 5.12 14.98 21.35 92.25 50.19 -65.05 -41.52 0.55 0.03 99.43 0.18 0.05 0.28 99.33 0.14 0.00 0.02 0.00 20 W H H 133.29 3.45 15.69 20.00 92.19 50.37 -64.66 -41.58 0.24 0.02 99.74 0.06 0.02 0.13 99.69 0.08 0.00 0.01 0.00 21 V H H 80.04 2.64 16.31 19.14 92.07 48.96 -64.69 -42.32 0.25 0.02 99.73 0.04 0.02 0.16 99.68 0.08 0.00 0.02 0.00 22 I H H 80.65 4.17 15.48 20.76 92.44 47.88 -65.61 -41.86 0.51 0.03 99.47 0.08 0.04 0.35 99.36 0.15 0.00 0.02 0.00 23 H H H 94.60 5.57 14.36 21.30 92.67 48.81 -66.82 -38.36 1.54 0.01 98.45 0.12 0.08 1.26 98.16 0.36 0.00 0.00 0.00 24 S H H 65.00 3.25 15.38 19.32 95.02 46.87 -74.69 -35.92 8.12 0.01 91.87 0.24 0.33 7.76 90.70 0.93 0.01 0.00 0.01 25 I H H 102.53 2.58 15.76 18.50 102.20 35.55 -91.82 -37.28 36.16 0.04 63.80 0.50 1.47 34.14 62.38 1.43 0.04 0.01 0.04 26 T H H 62.68 5.54 14.62 21.47 100.82 37.38 -86.54 -29.81 29.85 0.06 70.09 1.45 1.90 25.86 69.12 1.57 0.03 0.02 0.05 27 I H H 73.49 6.70 14.32 22.43 93.00 59.92 -63.01 -43.38 4.48 0.01 95.51 1.37 0.85 2.05 95.01 0.70 0.00 0.00 0.01 28 P H H 70.79 3.62 16.65 21.03 92.19 49.84 -64.34 -40.31 2.49 0.01 97.50 0.77 0.22 1.34 96.76 0.89 0.00 0.00 0.00 29 S H H 55.87 3.65 16.91 21.18 92.32 50.83 -65.62 -39.81 0.57 0.00 99.42 0.11 0.04 0.35 98.52 0.98 0.00 0.00 0.00 30 L H H 73.65 6.74 15.87 23.73 92.41 50.21 -65.51 -41.14 0.48 0.00 99.51 0.06 0.03 0.34 98.91 0.66 0.00 0.00 0.00 31 F H H 100.38 6.16 16.80 23.69 92.31 49.23 -65.42 -41.53 1.26 0.03 98.70 0.12 0.09 1.02 98.25 0.48 0.01 0.02 0.01 32 V H H 81.02 2.86 18.58 21.30 91.92 48.86 -64.61 -41.80 1.04 0.01 98.94 0.13 0.08 0.77 98.80 0.21 0.00 0.01 0.00 33 A H H 50.64 4.05 17.78 22.64 91.81 50.56 -63.88 -41.01 1.27 0.00 98.73 0.13 0.08 0.97 98.42 0.40 0.00 0.00 0.00 34 G H H 22.56 8.67 15.29 25.53 91.89 51.41 -64.32 -40.65 1.94 0.01 98.06 0.14 0.10 1.57 97.62 0.57 0.00 0.00 0.00 35 W H H 124.93 5.04 17.27 23.08 91.92 51.19 -64.31 -41.33 1.36 0.01 98.63 0.13 0.10 1.07 97.82 0.87 0.01 0.00 0.00 36 L H H 90.39 2.72 18.07 20.69 92.10 50.16 -65.18 -41.13 2.11 0.03 97.86 0.22 0.18 1.70 96.85 1.01 0.02 0.02 0.01 37 F H H 87.56 5.53 15.69 22.55 92.61 48.64 -65.83 -40.91 5.22 0.20 94.58 0.91 0.73 3.87 92.61 1.60 0.10 0.10 0.07 38 V H H 59.34 8.60 13.63 23.45 92.97 49.41 -65.99 -40.20 9.22 0.42 90.37 1.70 1.29 6.78 86.81 2.80 0.22 0.24 0.16 39 S H H 73.11 3.32 15.19 19.12 92.86 52.41 -68.18 -29.28 18.43 0.26 81.31 1.85 1.85 15.19 78.37 2.34 0.13 0.14 0.13 40 T C T 81.58 2.97 14.57 18.05 96.37 49.55 -87.64 -8.68 65.58 0.29 34.13 2.11 5.80 56.00 33.16 2.54 0.05 0.11 0.23 41 G C T 42.61 5.72 13.23 20.43 96.18 -113.96 77.83 4.52 83.03 0.39 16.58 7.21 9.67 64.72 15.78 2.19 0.01 0.16 0.26 42 L H H 87.89 4.11 14.54 19.90 96.62 114.97 -75.35 -28.73 46.40 0.77 52.83 25.21 8.49 13.79 43.38 8.32 0.03 0.36 0.41 43 A H H 37.98 8.19 12.70 22.54 95.83 57.63 -69.07 -34.79 29.44 1.32 69.24 11.54 5.98 13.48 55.97 11.50 0.18 0.79 0.55 44 Y H H 106.26 6.49 12.93 20.87 95.33 59.19 -69.37 -35.62 16.72 1.41 81.87 6.14 3.59 8.34 66.59 13.66 0.28 0.94 0.46 45 D H H 94.86 3.28 13.30 17.67 95.45 57.18 -71.31 -33.16 16.33 1.09 82.59 5.46 2.97 8.60 67.82 13.84 0.24 0.75 0.33 46 V H H 104.02 2.91 12.38 16.23 96.68 50.82 -74.41 -32.91 22.21 0.89 76.90 3.74 3.82 14.93 64.57 11.45 0.57 0.52 0.41 47 F H H 139.25 3.06 11.06 15.24 100.74 38.67 -95.76 -1.86 37.49 1.06 61.45 4.37 7.61 26.64 53.69 5.91 0.59 0.46 0.73 48 G C T 52.86 2.45 12.57 16.07 106.12 -105.57 82.19 13.57 97.23 1.05 1.72 31.26 29.90 36.35 0.70 0.81 0.00 0.52 0.45 49 T C C 79.30 4.95 10.84 17.57 121.33 70.74 -104.40 142.18 98.29 1.61 0.10 64.51 33.58 0.48 0.03 0.06 0.00 0.69 0.65 50 P C C 78.09 6.20 11.52 19.28 114.22 -105.14 -67.85 148.67 97.58 2.29 0.14 84.28 12.66 0.45 0.06 0.07 0.00 0.78 1.70 51 R C C 120.63 6.30 11.35 19.34 114.67 -116.44 -85.24 130.88 99.24 0.61 0.16 95.42 3.60 0.20 0.07 0.05 0.00 0.18 0.48 52 P H G 83.59 6.25 10.92 18.76 97.63 -125.18 -63.07 -25.40 41.00 0.55 58.45 15.44 5.22 19.70 11.19 47.90 0.00 0.30 0.24 53 N H G 115.75 3.11 11.75 16.07 98.37 57.86 -80.89 3.84 36.60 0.44 62.96 7.29 4.98 23.01 13.87 50.39 0.00 0.25 0.19 54 E H G 120.31 3.65 12.19 17.26 101.82 81.00 -84.60 9.44 33.83 0.93 65.23 10.88 7.07 16.31 13.39 51.43 0.01 0.54 0.37 55 Y C C 114.31 7.37 10.76 19.40 106.11 57.67 -98.43 24.52 56.62 4.66 38.72 26.38 14.91 16.88 13.53 23.35 0.11 2.25 2.59 56 F C C 89.42 8.56 8.72 18.69 117.74 75.52 -104.66 131.89 87.79 7.61 4.60 63.63 20.40 2.69 3.10 1.61 0.00 2.80 5.78 57 T C C 71.99 3.56 11.22 16.33 119.65 -160.12 -98.49 159.67 93.29 2.82 3.89 80.04 10.43 2.53 2.84 1.18 0.00 1.38 1.60 58 Q C T 138.01 1.90 10.33 13.39 95.75 -104.68 -62.56 -32.58 53.99 0.80 45.21 9.66 13.10 30.65 24.57 20.92 0.09 0.37 0.64 59 D C T 116.37 1.21 10.72 12.13 95.96 53.79 -76.33 -14.97 54.15 0.58 45.28 9.12 10.09 33.75 24.19 22.03 0.06 0.28 0.48 60 R H H 127.47 5.63 8.78 15.88 99.60 59.73 -85.14 -0.73 48.06 1.93 50.01 18.51 10.15 19.65 25.75 23.84 0.09 0.92 1.08 61 Q C C 113.73 4.42 9.95 16.02 99.01 89.09 -79.94 -10.84 63.24 2.19 34.58 35.34 12.62 15.59 23.53 10.73 0.02 1.09 1.06 62 Q C C 134.01 1.88 12.21 14.81 105.83 68.53 -89.27 46.42 74.93 3.95 21.12 42.25 16.30 16.64 13.40 7.55 0.02 2.42 1.42 63 V C C 84.45 5.77 9.32 16.86 116.06 87.14 -96.59 131.22 91.22 4.00 4.78 58.21 31.52 1.62 4.12 0.91 0.00 2.54 1.08 64 P C C 79.50 5.23 11.41 18.37 112.23 -112.41 -68.03 145.73 82.87 10.05 7.08 78.80 2.48 1.71 5.89 1.37 0.00 6.35 3.41 65 L C C 113.59 3.95 10.99 16.57 110.30 -136.72 -87.74 125.50 67.74 14.96 17.30 48.10 13.85 5.57 14.16 4.03 0.07 8.69 5.51 66 V C C 88.06 5.91 8.95 16.41 113.39 -131.94 -94.60 124.40 54.66 17.11 28.23 39.45 9.48 6.11 22.79 5.82 0.13 12.04 4.18 67 N C C 107.94 3.03 11.51 15.93 109.53 -165.68 -90.81 24.05 55.15 6.08 38.77 32.85 12.05 11.12 31.26 7.02 0.08 4.23 1.40 68 D C H 92.85 3.05 12.80 16.69 106.34 -7.18 -86.47 92.79 52.39 2.31 45.30 29.98 9.88 13.41 37.65 6.91 0.04 1.35 0.78 69 R H H 131.03 6.05 11.04 18.47 94.84 -142.26 -67.59 -32.86 28.58 0.82 70.60 11.98 6.06 11.77 62.10 7.23 0.07 0.46 0.33 70 F H H 125.44 2.58 13.58 16.74 93.91 54.84 -68.91 -36.54 25.64 0.73 73.62 10.02 5.41 11.46 66.55 5.80 0.06 0.40 0.30 71 S H H 54.87 2.90 14.88 18.34 94.20 53.02 -67.96 -36.72 28.10 0.53 71.38 17.49 4.51 6.80 67.55 3.20 0.01 0.25 0.20 72 A H H 39.06 6.69 11.89 20.65 92.83 58.07 -63.55 -41.29 6.46 0.08 93.46 3.44 1.06 2.16 92.08 1.19 0.00 0.04 0.02 73 K H H 116.36 3.10 15.21 19.09 92.36 51.16 -65.06 -40.68 2.27 0.03 97.71 0.88 0.31 1.04 96.96 0.79 0.00 0.01 0.00 74 Q H H 104.23 1.62 16.14 16.96 92.14 50.24 -65.33 -40.46 1.68 0.03 98.30 0.64 0.21 0.80 97.61 0.71 0.00 0.01 0.00 75 E H H 94.56 3.09 14.78 18.69 92.13 50.67 -65.00 -40.98 1.18 0.02 98.80 0.44 0.13 0.56 98.41 0.43 0.00 0.01 0.00 76 L H H 75.82 4.19 13.19 18.94 91.80 50.29 -64.46 -40.94 0.87 0.01 99.11 0.30 0.09 0.42 98.88 0.31 0.00 0.00 0.00 77 E H H 106.97 1.88 14.11 16.13 91.71 50.82 -64.03 -40.78 1.06 0.01 98.93 0.28 0.09 0.58 98.72 0.32 0.00 0.00 0.00 78 D H H 88.17 1.51 13.46 14.77 91.93 50.49 -65.06 -39.87 2.20 0.01 97.78 0.43 0.19 1.40 97.36 0.60 0.00 0.00 0.00 79 L H H 97.27 2.50 11.30 14.89 92.54 50.21 -66.46 -37.91 4.26 0.02 95.72 0.69 0.37 2.90 95.13 0.89 0.00 0.01 0.00 80 T H H 88.84 2.44 10.00 13.73 94.18 50.44 -72.07 -27.28 13.42 0.07 86.51 2.16 1.39 9.48 85.73 1.17 0.01 0.02 0.04 81 K H H 153.43 1.28 9.67 11.66 97.13 58.75 -74.84 -13.23 46.59 0.17 53.24 4.23 4.06 37.00 52.59 1.92 0.03 0.05 0.12 82 G C T 61.00 1.21 10.44 12.17 100.12 7.08 45.63 5.82 76.11 0.11 23.78 20.31 1.92 51.91 24.16 1.58 0.00 0.04 0.08 83 L C C 109.44 3.78 9.22 14.75 103.64 108.68 -81.30 21.93 99.93 0.02 0.04 99.81 0.08 0.07 0.02 0.00 0.00 0.01 0.00