# 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 109.55 6.28 11.86 19.45 117.25 -164.60 -98.67 134.26 99.84 0.15 0.01 99.82 0.07 0.02 0.00 0.00 0.00 0.07 0.02 1 Y C C 163.26 3.13 10.33 15.22 114.97 -148.91 -95.97 129.42 89.24 8.34 2.41 86.35 1.69 1.36 1.95 0.44 0.00 3.59 4.62 2 L C C 95.32 5.90 8.45 16.17 116.71 -147.59 -94.30 135.52 89.26 3.36 7.39 71.41 14.22 3.21 6.83 1.23 0.00 1.79 1.32 3 P C C 72.24 5.30 10.87 18.06 111.83 -111.82 -70.09 148.65 83.44 1.78 14.77 68.19 7.83 6.07 14.19 2.06 0.00 0.94 0.71 4 T C C 72.94 4.12 11.86 17.40 113.96 -124.68 -82.68 161.03 60.11 2.86 37.03 47.34 7.25 5.06 35.65 2.20 0.00 1.14 1.36 5 F H H 130.59 3.82 11.32 16.73 94.12 -109.64 -62.93 -37.01 10.91 0.41 88.68 4.87 2.43 4.72 84.76 2.80 0.04 0.26 0.13 6 Y H H 137.22 2.73 13.04 16.58 92.96 53.15 -65.78 -39.62 5.67 0.21 94.12 2.10 0.93 3.08 90.91 2.73 0.02 0.17 0.05 7 K H H 102.63 4.17 14.01 19.34 92.82 50.95 -66.60 -39.92 3.45 0.13 96.42 1.45 0.53 1.74 93.66 2.49 0.01 0.10 0.03 8 L H H 78.19 4.76 13.94 20.17 92.68 50.78 -65.81 -40.79 2.83 0.06 97.11 0.96 0.39 1.56 95.78 1.24 0.00 0.04 0.02 9 F H H 103.91 3.79 15.62 20.26 92.68 50.68 -65.74 -41.14 3.07 0.05 96.88 0.92 0.39 1.81 96.20 0.63 0.01 0.02 0.01 10 H H H 95.61 4.24 16.00 21.15 92.68 50.29 -65.57 -41.34 1.34 0.01 98.65 0.42 0.17 0.71 98.41 0.29 0.00 0.01 0.00 11 E H H 94.36 4.64 16.78 22.20 92.65 49.81 -65.79 -40.88 0.86 0.01 99.13 0.22 0.09 0.49 99.00 0.20 0.00 0.00 0.00 12 T H H 61.68 4.05 16.96 21.88 92.45 49.88 -65.05 -41.61 0.80 0.00 99.20 0.19 0.07 0.46 99.09 0.19 0.00 0.00 0.00 13 N H H 73.15 4.42 17.24 22.46 92.38 49.91 -65.67 -40.64 0.84 0.00 99.15 0.16 0.07 0.52 99.02 0.22 0.00 0.00 0.00 14 A H H 41.63 5.63 15.35 22.72 92.11 51.43 -64.35 -41.22 1.00 0.00 98.99 0.15 0.07 0.65 98.79 0.34 0.00 0.00 0.00 15 F H H 101.69 3.74 16.51 21.04 92.13 50.78 -64.97 -40.70 1.98 0.01 98.01 0.29 0.15 1.37 97.51 0.67 0.00 0.00 0.00 16 R H H 123.43 3.25 16.04 19.95 92.12 50.95 -65.59 -39.38 4.94 0.03 95.03 0.69 0.39 3.68 94.04 1.17 0.01 0.01 0.01 17 L H H 79.31 5.00 13.19 19.80 93.02 51.38 -67.77 -36.10 11.11 0.09 88.80 1.86 1.13 8.13 86.18 2.57 0.03 0.04 0.04 18 K H H 120.95 4.02 13.31 18.65 93.69 54.20 -68.68 -30.80 19.96 0.30 79.74 3.81 2.60 13.97 73.84 5.37 0.10 0.16 0.15 19 R H H 155.53 2.23 13.35 16.19 96.14 50.76 -75.79 -28.82 28.54 0.53 70.93 5.00 3.69 20.00 64.51 6.08 0.15 0.31 0.26 20 Y H H 144.63 3.38 11.68 16.23 102.67 42.69 -91.62 -17.05 38.26 1.74 59.99 9.85 7.52 22.39 52.84 5.38 0.28 0.94 0.79 21 V C T 92.71 4.35 10.97 16.74 104.19 51.24 -90.15 3.63 60.55 2.88 36.57 17.10 12.25 31.65 31.33 4.71 0.21 1.38 1.37 22 G C T 52.23 2.97 13.12 17.31 104.25 -109.02 79.68 16.70 87.23 1.99 10.78 34.89 14.26 38.60 7.43 2.97 0.00 1.08 0.76 23 Y C C 129.14 6.31 11.46 19.15 111.92 116.30 -92.96 117.63 82.67 5.43 11.90 51.10 19.71 11.52 9.05 3.02 0.01 2.14 3.44 24 G C C 32.94 5.52 14.70 21.36 118.07 -132.58 -85.40 162.19 84.95 0.76 14.30 68.03 12.18 2.70 15.61 0.86 0.00 0.27 0.35 25 P H H 76.22 6.93 13.81 21.87 94.73 -84.15 -62.20 -37.17 12.64 0.09 87.27 4.34 1.98 6.29 85.36 1.94 0.01 0.05 0.04 26 L H H 96.30 4.25 15.66 20.62 93.47 52.14 -66.72 -38.26 6.00 0.11 93.89 1.80 0.75 3.45 91.97 1.92 0.01 0.07 0.03 27 L H H 80.01 4.83 16.35 22.13 93.02 50.49 -66.92 -40.55 1.83 0.05 98.12 0.66 0.23 0.89 96.70 1.49 0.00 0.03 0.01 28 L H H 58.99 8.73 15.37 25.37 92.76 51.51 -65.31 -41.08 1.39 0.05 98.56 0.53 0.15 0.67 97.82 0.78 0.00 0.04 0.01 29 T H H 54.56 8.42 16.57 25.96 92.89 50.46 -65.14 -41.64 1.14 0.04 98.82 0.41 0.12 0.57 98.51 0.36 0.00 0.03 0.01 30 W H H 130.81 4.22 18.25 22.81 92.58 49.82 -65.83 -40.92 0.53 0.01 99.46 0.12 0.04 0.31 99.33 0.20 0.00 0.00 0.00 31 S H H 43.68 5.48 17.12 23.95 92.28 50.48 -65.01 -41.68 0.51 0.01 99.48 0.09 0.04 0.33 99.34 0.19 0.00 0.00 0.00 32 I H H 52.34 9.47 15.45 26.29 92.57 49.16 -65.43 -41.81 0.36 0.00 99.64 0.04 0.02 0.26 99.43 0.26 0.00 0.00 0.00 33 W H H 110.41 7.74 14.87 23.80 92.41 50.40 -65.99 -39.11 0.55 0.00 99.45 0.03 0.02 0.46 98.96 0.52 0.00 0.00 0.00 34 T H H 84.15 2.96 16.10 19.40 93.44 49.18 -70.25 -37.06 3.43 0.00 96.57 0.05 0.07 3.58 95.73 0.57 0.00 0.00 0.00 35 L H H 96.50 4.17 15.00 20.05 96.25 44.09 -79.41 -30.50 10.76 0.01 89.23 0.16 0.46 10.43 88.47 0.47 0.01 0.00 0.00 36 Y C C 88.54 8.68 11.72 21.81 109.70 29.49 -125.91 67.66 89.44 0.43 10.12 57.26 28.35 2.59 10.63 0.67 0.00 0.09 0.42 37 P H H 74.22 5.93 12.81 20.82 94.31 159.92 -62.25 -35.03 17.38 0.15 82.47 5.04 1.69 9.14 52.48 31.49 0.01 0.09 0.05 38 A H H 70.81 2.32 16.22 18.59 92.39 56.63 -66.90 -32.67 11.88 0.09 88.04 1.50 0.97 7.68 58.89 30.86 0.02 0.05 0.03 39 L H H 60.05 8.15 14.45 24.08 93.49 53.00 -68.32 -36.86 7.66 0.09 92.26 1.56 0.81 4.28 63.69 29.58 0.01 0.06 0.02 40 Y H H 78.34 11.58 13.46 25.68 93.30 53.87 -66.19 -40.03 14.20 0.56 85.24 5.59 2.80 6.60 72.23 12.18 0.06 0.32 0.21 41 N H H 89.15 3.84 16.60 21.09 93.43 51.94 -67.68 -36.66 18.25 0.51 81.24 6.95 2.98 9.30 73.85 6.36 0.05 0.31 0.20 42 M H H 99.49 3.04 16.45 19.67 94.00 50.40 -68.22 -40.08 13.20 0.46 86.34 4.62 2.42 7.16 79.72 5.55 0.07 0.29 0.16 43 I H H 66.65 7.31 14.58 23.30 94.19 48.27 -68.35 -41.69 9.40 0.57 90.03 3.02 1.70 5.53 84.14 4.92 0.11 0.42 0.16 44 Y H H 90.92 8.72 13.32 23.22 93.87 48.97 -68.93 -36.83 8.29 0.43 91.28 2.30 1.37 5.07 82.66 8.09 0.08 0.34 0.10 45 S H H 62.71 4.18 13.76 19.13 93.49 53.97 -69.65 -30.51 12.17 0.26 87.57 1.91 1.39 8.56 75.73 12.05 0.08 0.18 0.09 46 D H H 100.65 2.61 13.96 17.29 95.80 51.41 -79.39 -21.05 29.42 0.24 70.34 2.39 2.70 23.70 61.50 9.31 0.13 0.12 0.14 47 F H H 119.36 5.02 12.69 18.98 101.15 40.73 -94.13 -21.29 46.77 0.74 52.48 5.11 7.59 34.17 45.31 6.70 0.27 0.32 0.52 48 I C S 87.38 6.18 10.56 18.58 115.51 50.88 -112.35 114.91 97.48 1.24 1.29 20.22 76.00 1.25 1.11 0.18 0.00 0.33 0.91 49 P C C 78.78 4.85 11.44 18.12 115.70 -122.96 -69.24 148.58 98.99 0.43 0.59 90.93 6.83 1.30 0.26 0.23 0.00 0.19 0.26 50 P C C 80.50 5.16 9.83 16.88 113.10 -104.57 -67.37 149.93 93.76 0.85 5.39 84.37 4.93 4.83 1.93 2.94 0.00 0.39 0.62 51 E C C 146.94 2.20 9.65 13.41 104.54 -104.88 -71.64 123.36 84.74 1.83 13.43 48.39 16.53 19.69 3.20 10.13 0.00 0.79 1.27 52 R C C 183.72 1.23 9.37 11.51 108.46 -76.49 -90.37 100.33 85.75 2.22 12.03 33.25 21.69 31.38 2.47 8.97 0.01 1.02 1.22 53 G C C 53.25 2.45 9.75 13.62 111.22 -3.74 90.97 116.36 90.76 2.36 6.88 46.37 23.15 21.14 1.33 5.69 0.00 1.14 1.17 54 V C C 93.96 4.37 7.84 14.13 116.97 -65.25 -95.14 134.34 92.85 3.91 3.24 66.07 25.08 1.85 2.24 0.97 0.00 1.76 2.04 55 P C C 94.78 2.90 9.57 14.19 113.21 -110.20 -68.08 146.63 87.18 2.92 9.89 77.11 5.78 4.35 6.81 3.02 0.00 1.81 1.13 56 K C C 153.51 2.15 8.28 12.35 113.70 -121.90 -86.16 135.12 76.30 4.35 19.35 60.51 8.88 6.48 13.57 6.20 0.00 2.63 1.72 57 R C C 166.16 2.26 7.63 11.74 113.86 -137.66 -91.60 132.06 68.95 6.70 24.34 53.57 8.76 6.33 17.52 7.19 0.01 4.58 2.04 58 I C C 130.14 2.09 6.62 10.48 111.84 -141.37 -91.02 129.15 63.96 6.52 29.52 47.55 8.99 7.42 20.37 9.25 0.02 4.61 1.78 59 V C C 119.72 1.63 6.53 9.76 111.22 -147.75 -91.14 121.40 66.18 5.44 28.37 43.42 9.89 12.95 19.54 8.86 0.02 3.73 1.59 60 D C C 123.30 1.17 7.28 9.71 109.73 -125.45 -85.67 116.54 79.13 2.13 18.73 64.85 1.94 13.89 12.89 4.28 0.00 1.35 0.81 61 A C C 83.40 2.95 8.64 13.36 107.56 -142.53 -84.30 116.08 99.86 0.04 0.10 99.59 0.14 0.18 0.06 0.01 0.00 0.02 0.01