# 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 117.29 4.27 10.77 16.46 113.84 -154.64 -89.40 129.84 99.90 0.04 0.05 99.80 0.08 0.06 0.03 0.00 0.00 0.02 0.01 1 Q C C 122.00 2.92 8.82 13.41 108.75 -138.04 -80.96 128.74 80.24 0.89 18.86 73.77 1.29 5.26 17.41 1.40 0.00 0.39 0.47 2 K C C 142.79 1.97 9.14 12.32 107.75 -113.36 -80.73 118.43 67.36 0.78 31.86 49.37 8.78 7.88 30.58 2.67 0.00 0.32 0.40 3 K H H 143.61 2.12 10.00 13.26 99.96 31.02 -71.81 -31.80 38.52 0.48 61.00 19.66 7.30 13.17 54.30 5.09 0.02 0.23 0.24 4 G H H 44.87 2.39 11.07 14.34 98.76 48.31 -62.96 -37.93 35.14 0.36 64.49 16.92 6.73 13.14 57.85 4.98 0.01 0.17 0.19 5 D H H 87.30 2.77 10.92 14.81 95.24 53.83 -69.51 -35.17 23.14 0.30 76.56 14.28 4.25 6.11 70.66 4.43 0.01 0.14 0.13 6 N H H 95.80 2.53 11.90 15.37 93.89 55.08 -67.55 -35.67 16.53 0.22 83.25 9.21 2.97 5.50 78.71 3.40 0.01 0.11 0.09 7 Q H H 106.27 2.10 12.87 15.45 93.10 53.32 -66.88 -37.09 14.62 0.17 85.22 7.67 2.43 5.28 81.36 3.10 0.01 0.08 0.07 8 N H H 87.79 2.50 13.07 16.23 93.11 53.66 -65.83 -39.30 12.99 0.12 86.89 6.12 2.04 5.16 84.24 2.34 0.01 0.05 0.05 9 Y H H 124.08 2.55 12.73 16.16 92.54 52.32 -65.59 -40.01 8.77 0.09 91.14 4.00 1.37 3.78 88.58 2.18 0.01 0.04 0.04 10 L H H 96.60 2.19 13.30 16.05 92.15 51.04 -64.83 -40.86 3.87 0.05 96.09 1.55 0.54 1.88 93.93 2.06 0.01 0.03 0.01 11 L H H 94.65 2.34 13.49 16.43 92.20 50.36 -65.66 -40.23 3.33 0.04 96.63 0.96 0.43 1.93 94.00 2.64 0.01 0.02 0.01 12 R H H 140.99 2.00 13.81 16.15 92.56 50.31 -66.02 -39.88 5.04 0.05 94.92 0.98 0.60 3.40 91.44 3.51 0.02 0.02 0.02 13 Y H H 131.69 2.53 13.18 16.46 92.88 48.98 -67.07 -39.61 6.81 0.05 93.14 1.21 0.82 4.60 87.12 6.19 0.03 0.03 0.02 14 L H H 99.65 3.00 13.01 17.01 93.47 50.51 -69.53 -31.96 15.98 0.10 83.91 2.36 1.57 11.33 72.60 11.99 0.04 0.06 0.05 15 S H H 68.19 3.39 12.67 17.25 96.24 55.93 -79.78 -16.01 43.81 0.18 56.02 4.29 3.35 35.07 47.13 9.90 0.05 0.08 0.13 16 L C T 98.61 3.79 11.97 17.16 101.99 73.83 -84.02 -5.12 59.81 0.63 39.56 10.93 14.13 35.26 31.51 7.32 0.07 0.22 0.55 17 G C H 38.25 3.46 11.80 16.59 110.17 80.11 -73.00 164.51 59.17 0.39 40.45 20.12 30.75 6.79 40.64 1.34 0.01 0.09 0.25 18 P H H 93.65 2.16 12.66 15.29 94.38 -61.51 -64.41 -33.42 15.94 0.10 83.95 4.90 3.07 7.99 82.61 1.32 0.01 0.04 0.05 19 V H H 88.92 2.17 12.83 15.53 93.20 53.27 -66.17 -39.54 4.13 0.05 95.82 1.38 0.51 2.09 95.11 0.88 0.00 0.02 0.01 20 L H H 84.63 3.44 12.71 17.50 92.69 51.03 -65.34 -40.18 0.87 0.01 99.11 0.34 0.09 0.37 98.75 0.44 0.00 0.00 0.00 21 L H H 87.97 3.07 13.36 17.47 92.39 51.28 -64.52 -40.74 0.36 0.00 99.64 0.11 0.03 0.17 99.50 0.19 0.00 0.00 0.00 22 F H H 123.88 1.79 14.74 16.34 92.19 50.40 -65.00 -40.98 0.19 0.00 99.81 0.04 0.01 0.10 99.76 0.09 0.00 0.00 0.00 23 A H H 59.63 2.18 14.21 16.71 92.09 50.26 -64.41 -41.39 0.17 0.00 99.83 0.03 0.01 0.10 99.79 0.07 0.00 0.00 0.00 24 W H H 140.40 2.63 13.94 17.28 92.04 49.68 -65.54 -40.77 0.26 0.00 99.74 0.04 0.01 0.16 99.71 0.07 0.00 0.00 0.00 25 L H H 94.60 2.26 14.33 16.96 92.08 50.45 -64.81 -41.03 0.28 0.00 99.72 0.05 0.02 0.16 99.72 0.05 0.00 0.00 0.00 26 S H H 64.54 1.78 14.81 16.34 92.18 50.04 -64.90 -41.19 0.37 0.00 99.63 0.09 0.03 0.20 99.62 0.05 0.00 0.00 0.00 27 F H H 121.64 1.97 14.82 16.70 92.42 48.38 -65.47 -41.08 0.33 0.00 99.67 0.05 0.02 0.21 99.67 0.05 0.00 0.00 0.00 28 T H H 71.26 2.68 14.59 17.81 92.35 49.26 -65.04 -40.98 0.54 0.00 99.45 0.07 0.04 0.37 99.46 0.06 0.00 0.00 0.00 29 A H H 57.99 2.30 14.63 17.28 92.00 50.89 -64.29 -40.88 0.56 0.00 99.44 0.10 0.04 0.33 99.48 0.06 0.00 0.00 0.00 30 V H H 81.13 2.12 14.55 16.86 92.04 50.57 -64.64 -41.35 0.34 0.00 99.66 0.06 0.02 0.19 99.69 0.04 0.00 0.00 0.00 31 L H H 92.84 2.23 14.83 17.26 92.08 50.43 -64.98 -40.93 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 32 L H H 92.59 2.49 14.46 17.46 92.06 50.08 -64.80 -40.75 0.18 0.00 99.82 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 33 I H H 91.47 2.32 14.32 17.05 92.15 50.48 -64.56 -41.41 0.24 0.00 99.76 0.02 0.01 0.16 99.75 0.06 0.00 0.00 0.00 34 V H H 81.72 2.00 14.51 16.59 91.95 49.96 -64.59 -41.55 0.44 0.00 99.55 0.03 0.02 0.33 99.50 0.13 0.00 0.00 0.00 35 F H H 104.52 2.83 13.33 16.99 92.16 48.91 -65.31 -40.34 0.53 0.00 99.47 0.04 0.02 0.38 99.17 0.38 0.00 0.00 0.00 36 N H H 77.33 4.50 11.16 17.38 92.27 51.67 -67.37 -35.52 1.66 0.00 98.33 0.07 0.05 1.46 97.35 1.05 0.00 0.00 0.00 37 Y H H 162.26 1.34 12.55 13.89 94.00 48.27 -71.71 -36.00 4.50 0.00 95.49 0.07 0.12 4.51 94.51 0.77 0.00 0.00 0.00 38 L H H 122.78 1.15 12.41 13.03 97.39 39.42 -83.09 -29.75 8.12 0.01 91.87 0.19 0.65 7.48 91.27 0.39 0.02 0.00 0.01 39 Y C C 118.83 3.76 9.28 14.80 109.75 31.69 -125.77 74.51 98.99 0.39 0.62 64.87 33.25 0.79 0.46 0.14 0.00 0.10 0.39 40 P C T 90.60 3.33 9.04 14.46 99.55 170.95 -64.07 -22.55 63.47 0.27 36.26 7.56 4.48 50.13 4.82 32.69 0.00 0.15 0.17 41 D C T 116.63 1.30 11.84 13.40 96.94 50.01 -79.85 3.91 57.14 0.19 42.67 4.94 4.31 46.43 6.05 38.03 0.00 0.10 0.13 42 L H G 88.08 5.37 8.62 15.79 99.51 95.64 -76.77 -10.18 43.23 0.56 56.21 22.43 6.04 12.55 5.08 53.40 0.00 0.30 0.20 43 L C G 116.65 3.07 9.88 14.45 96.69 91.59 -75.02 -20.92 61.55 1.06 37.39 17.16 12.54 31.85 4.54 32.83 0.01 0.52 0.54 44 F C T 156.27 1.72 10.28 13.04 111.81 44.74 -106.39 90.86 67.19 2.59 30.22 19.88 15.81 31.70 3.27 26.77 0.02 1.18 1.38 45 H C S 127.62 3.07 7.61 12.78 117.86 116.80 -95.86 136.27 96.88 2.49 0.63 41.06 54.55 1.56 0.16 0.40 0.00 1.12 1.15 46 P C C 114.72 1.30 8.76 11.36 112.09 -111.20 -71.34 140.75 98.24 1.56 0.20 86.13 10.60 1.49 0.05 0.16 0.00 0.78 0.80 47 L C C 123.44 2.82 6.74 11.69 115.77 -117.96 -88.88 137.43 99.54 0.44 0.02 98.21 1.35 0.09 0.01 0.01 0.00 0.16 0.19 48 P C C 108.17 1.96 11.29 14.37 109.33 -98.49 -68.52 139.89 99.98 0.02 0.00 99.81 0.13 0.04 0.00 0.00 0.00 0.01 0.00