# 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 R C C 145.03 5.55 13.33 20.37 112.94 -154.57 -92.15 124.49 99.90 0.06 0.04 99.78 0.09 0.07 0.02 0.00 0.00 0.02 0.01 1 D C C 96.59 5.40 11.58 18.62 108.02 -153.01 -87.65 92.42 87.17 1.06 11.76 78.99 1.51 8.05 3.32 6.99 0.00 0.57 0.56 2 N C C 104.89 4.24 13.11 18.69 103.17 62.67 -90.57 36.13 80.87 2.01 17.12 47.26 13.90 19.57 3.78 13.40 0.00 1.02 1.06 3 I C C 54.05 15.33 9.21 23.75 100.51 116.05 -91.88 8.99 76.72 4.17 19.10 50.22 10.17 15.42 3.75 16.09 0.00 2.29 2.05 4 Q C T 127.24 3.42 14.70 19.89 108.45 122.08 -75.38 117.72 85.30 2.89 11.82 17.66 10.67 57.33 3.24 8.05 0.01 1.63 1.41 5 G C T 53.09 3.13 17.03 20.75 97.73 21.04 83.74 -1.88 90.77 1.54 7.69 15.25 14.87 60.85 1.56 5.96 0.00 0.94 0.57 6 I C C 32.30 18.89 8.87 26.76 115.34 111.61 -92.37 128.48 94.66 4.11 1.23 76.02 17.19 0.91 0.78 0.43 0.00 1.36 3.31 7 T C C 70.93 3.21 20.50 23.17 121.96 -141.21 -87.39 160.04 96.96 1.85 1.19 94.24 2.39 0.33 1.08 0.13 0.00 0.54 1.30 8 K H H 113.37 9.57 13.80 24.27 92.67 -105.60 -58.62 -39.80 2.94 0.01 97.04 0.81 0.55 1.35 96.95 0.33 0.00 0.00 0.00 9 P H H 79.23 2.25 18.97 20.55 91.53 52.26 -63.33 -39.07 1.74 0.01 98.25 0.37 0.17 1.02 98.00 0.43 0.00 0.00 0.00 10 A H H 29.63 7.85 16.91 26.75 91.81 50.77 -64.62 -40.66 0.65 0.01 99.34 0.19 0.07 0.32 99.03 0.38 0.00 0.01 0.00 11 I H H 18.03 18.39 14.08 32.67 91.96 50.17 -64.50 -42.27 0.47 0.01 99.52 0.14 0.06 0.21 99.41 0.17 0.00 0.01 0.00 12 R H H 117.33 5.92 19.61 26.28 91.67 50.72 -63.51 -41.12 0.81 0.02 99.17 0.25 0.09 0.38 99.16 0.10 0.00 0.01 0.00 13 R H H 126.78 2.29 20.79 22.08 91.96 49.93 -64.51 -41.97 1.11 0.03 98.86 0.28 0.14 0.59 98.84 0.13 0.00 0.02 0.01 14 L H H 39.22 10.43 16.05 28.10 92.15 49.83 -64.77 -41.50 1.63 0.07 98.30 0.47 0.23 0.88 98.07 0.30 0.01 0.04 0.01 15 A H H 26.23 12.61 13.00 26.69 92.15 51.66 -64.00 -39.82 3.27 0.07 96.66 0.76 0.30 2.07 96.04 0.76 0.01 0.04 0.01 16 R H H 168.36 1.60 16.42 17.99 92.40 49.86 -66.66 -36.29 8.98 0.10 90.93 0.93 0.72 7.19 89.89 1.15 0.03 0.05 0.03 17 R H H 163.51 1.78 14.22 16.25 95.07 50.56 -75.55 -22.81 29.03 0.15 70.83 1.39 2.36 25.35 68.98 1.67 0.09 0.06 0.09 18 G C T 45.18 5.43 12.01 18.72 100.07 34.88 -90.77 -4.09 65.96 0.16 33.88 2.55 6.66 55.11 33.70 1.78 0.02 0.06 0.13 19 G C T 54.23 2.24 14.72 17.45 100.09 -114.48 79.33 12.52 98.02 0.48 1.50 37.41 15.17 45.68 0.50 0.80 0.00 0.27 0.16 20 V C C 52.70 13.03 7.74 20.72 113.86 143.98 -86.51 131.00 91.76 6.61 1.64 86.66 3.89 1.39 0.56 0.93 0.00 4.76 1.81 21 K C C 164.90 1.14 16.05 16.73 100.19 -173.15 -90.79 -25.97 90.08 8.58 1.34 54.85 31.11 4.48 0.27 1.15 0.00 7.25 0.89 22 R C C 157.96 2.27 16.35 19.27 125.76 18.87 -133.51 138.91 59.90 38.24 1.86 45.27 11.28 3.77 0.52 1.42 0.01 35.36 2.37 23 I E E 59.10 16.26 8.50 23.66 121.25 -168.13 -118.31 129.62 46.07 52.78 1.15 41.36 2.57 0.52 0.85 0.50 0.00 43.20 10.99 24 S C C 63.64 2.94 15.74 19.16 123.87 -161.03 -101.37 163.58 79.50 19.11 1.39 75.46 2.79 0.84 0.95 0.41 0.00 18.19 1.37 25 G H H 51.40 2.64 14.68 17.94 101.91 -39.30 -21.43 -51.57 36.14 0.55 63.31 4.45 9.37 23.21 56.68 5.55 0.22 0.26 0.27 26 L H H 107.31 2.45 14.61 17.29 93.91 39.39 -69.22 -33.89 22.82 0.28 76.89 3.42 3.51 16.42 70.37 5.87 0.12 0.14 0.14 27 I H H 62.39 7.87 13.79 23.21 92.89 54.35 -65.28 -40.70 10.99 0.29 88.72 3.94 1.80 6.01 82.71 5.23 0.04 0.17 0.10 28 Y H H 76.91 11.03 13.88 25.78 92.09 52.44 -63.42 -42.07 2.91 0.06 97.03 1.26 0.43 1.33 95.62 1.32 0.01 0.03 0.01 29 E H H 117.22 2.43 18.63 20.96 92.11 49.87 -64.76 -40.92 1.79 0.02 98.19 0.50 0.20 1.02 97.37 0.90 0.00 0.01 0.00 30 E H H 105.35 3.16 19.11 22.21 92.41 48.12 -65.81 -41.26 2.90 0.01 97.09 0.41 0.25 2.06 96.34 0.92 0.01 0.00 0.01 31 T H H 30.34 13.11 16.02 29.94 92.73 48.30 -66.51 -40.75 5.14 0.01 94.85 0.61 0.42 3.81 94.53 0.62 0.00 0.00 0.01 32 R H H 94.04 10.44 18.00 28.75 91.73 52.88 -63.25 -41.31 2.22 0.00 97.78 0.34 0.16 1.51 97.72 0.26 0.00 0.00 0.00 33 G H H 34.32 3.00 20.27 23.07 91.71 51.22 -63.56 -41.46 2.30 0.00 97.69 0.24 0.14 1.76 97.53 0.33 0.00 0.00 0.00 34 V H H 64.81 5.44 19.81 26.00 91.78 49.81 -64.57 -41.98 0.50 0.00 99.50 0.08 0.03 0.31 99.45 0.14 0.00 0.00 0.00 35 L H H 39.43 13.42 16.62 30.76 91.89 50.58 -64.19 -41.98 0.12 0.00 99.88 0.02 0.00 0.06 99.87 0.04 0.00 0.00 0.00 36 K H H 101.98 6.35 19.26 26.26 91.76 51.69 -63.74 -41.19 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 37 V H H 79.47 2.61 20.35 22.23 91.71 49.93 -64.20 -42.55 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 38 F H H 83.62 7.59 18.91 27.34 91.93 48.92 -64.73 -42.30 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 39 L H H 45.49 12.57 16.74 29.98 91.97 50.28 -64.82 -41.35 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 40 E H H 97.68 4.33 19.87 24.58 91.87 51.11 -64.08 -41.25 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 41 N H H 78.75 3.48 20.50 23.85 92.03 49.44 -65.74 -40.70 0.36 0.00 99.64 0.02 0.01 0.26 99.69 0.02 0.00 0.00 0.00 42 V H H 39.65 11.34 17.98 30.23 92.24 49.39 -64.77 -42.74 0.52 0.00 99.47 0.05 0.03 0.34 99.55 0.04 0.00 0.00 0.00 43 I H H 60.16 10.35 18.49 29.51 91.72 50.19 -63.87 -42.24 0.38 0.00 99.62 0.08 0.03 0.21 99.59 0.10 0.00 0.00 0.00 44 R H H 136.81 2.33 22.20 23.63 91.63 49.88 -63.99 -41.70 0.43 0.00 99.57 0.07 0.03 0.27 99.52 0.11 0.00 0.00 0.00 45 D H H 65.70 5.26 20.72 26.39 92.00 48.65 -65.38 -40.88 0.87 0.00 99.13 0.12 0.06 0.60 99.06 0.16 0.00 0.00 0.00 46 A H H 18.92 13.97 16.23 31.28 91.92 51.05 -64.13 -41.63 1.31 0.01 98.68 0.21 0.11 0.85 98.58 0.25 0.00 0.00 0.00 47 V H H 63.95 6.33 19.47 26.67 91.87 50.10 -64.48 -41.41 2.27 0.04 97.69 0.44 0.26 1.40 97.52 0.34 0.01 0.02 0.01 48 T H H 73.27 2.16 21.14 21.91 91.90 49.73 -64.41 -41.99 4.14 0.09 95.77 1.01 0.52 2.47 95.36 0.56 0.01 0.05 0.02 49 Y H H 80.52 7.57 17.17 25.99 92.51 48.53 -66.05 -40.90 5.53 0.18 94.29 1.53 0.85 3.27 92.96 1.22 0.03 0.10 0.05 50 T H H 28.94 11.63 12.81 25.93 92.18 51.55 -66.29 -39.12 8.19 0.19 91.62 2.74 1.11 4.34 89.75 1.86 0.02 0.11 0.06 51 E H H 127.04 2.05 16.47 18.52 92.48 52.22 -65.68 -38.53 13.75 0.12 86.13 2.31 1.43 9.63 84.46 2.03 0.03 0.07 0.05 52 H H H 140.01 1.49 14.56 15.70 93.84 48.13 -72.59 -27.12 24.09 0.17 75.74 3.03 3.03 17.93 74.04 1.77 0.05 0.06 0.09 53 A C T 47.30 8.71 8.99 18.78 99.53 59.72 -83.85 -4.62 66.18 0.52 33.30 13.88 14.62 35.93 33.02 2.02 0.02 0.17 0.34 54 K C T 178.51 0.61 14.41 13.67 96.16 -128.03 47.26 21.67 92.89 0.30 6.82 21.97 14.89 56.10 5.02 1.71 0.00 0.13 0.18 55 R C C 116.54 5.68 9.88 17.53 124.38 110.74 -111.52 146.57 93.61 0.95 5.44 62.51 20.48 10.64 2.93 2.38 0.00 0.39 0.67 56 K C S 162.29 2.04 13.75 16.69 97.09 -147.09 -82.32 -16.51 96.68 1.16 2.16 29.34 60.73 6.95 0.88 1.06 0.00 0.70 0.33 57 T C C 87.05 3.09 17.33 21.18 127.76 42.27 -130.05 143.79 75.53 21.81 2.66 43.75 28.08 4.90 1.21 1.59 0.01 16.86 3.59 58 V C C 33.07 18.24 10.00 27.67 118.11 -154.66 -110.07 129.12 69.28 29.80 0.92 63.64 5.36 0.29 0.86 0.24 0.00 21.91 7.69 59 T C C 63.07 4.13 21.46 25.31 124.49 -150.60 -93.34 163.44 83.47 15.91 0.62 83.83 1.11 0.13 0.60 0.07 0.00 12.31 1.94 60 A H H 53.90 11.32 13.97 26.01 91.08 -104.53 -58.43 -39.21 1.89 0.01 98.11 0.31 0.25 1.14 97.94 0.36 0.00 0.00 0.00 61 M H H 112.69 2.82 20.04 22.57 91.52 54.13 -64.24 -39.97 0.59 0.00 99.41 0.07 0.04 0.40 99.23 0.27 0.00 0.00 0.00 62 D H H 43.73 10.18 18.29 29.52 91.90 50.26 -65.46 -40.42 0.19 0.00 99.81 0.03 0.01 0.11 99.60 0.24 0.00 0.00 0.00 63 V H H 16.23 18.94 16.21 35.25 91.85 49.73 -64.29 -43.06 0.08 0.00 99.91 0.01 0.00 0.05 99.86 0.07 0.00 0.00 0.00 64 V H H 56.73 7.33 20.24 28.46 91.43 49.87 -63.52 -42.76 0.12 0.00 99.88 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 65 Y H H 107.30 3.12 22.14 24.68 91.73 49.01 -63.96 -42.06 0.24 0.00 99.76 0.02 0.01 0.17 99.72 0.08 0.00 0.00 0.00 66 A H H 14.53 11.75 16.31 30.14 91.39 50.86 -63.17 -42.71 0.58 0.00 99.42 0.06 0.03 0.40 99.32 0.19 0.00 0.00 0.00 67 L H H 35.05 12.95 14.80 28.86 92.04 50.08 -64.44 -40.65 1.73 0.01 98.26 0.26 0.14 1.16 97.88 0.56 0.00 0.00 0.00 68 K H H 134.63 2.52 16.67 19.80 91.95 50.29 -65.02 -39.39 4.42 0.02 95.56 0.59 0.33 3.16 94.69 1.21 0.00 0.01 0.01 69 R H H 154.98 2.41 14.97 18.06 92.74 50.78 -68.72 -32.32 12.85 0.06 87.10 1.03 0.93 10.54 86.10 1.33 0.02 0.02 0.03 70 Q C H 97.83 6.32 12.24 19.88 96.40 47.78 -87.13 -4.99 52.91 0.20 46.89 2.68 4.16 44.12 47.22 1.60 0.03 0.07 0.13 71 G C T 56.70 2.22 14.21 17.18 98.50 -111.70 78.86 12.02 95.20 0.32 4.49 18.85 10.29 66.36 3.19 1.03 0.00 0.15 0.13 72 R C C 121.93 6.33 11.57 19.67 120.04 128.01 -102.03 143.34 93.11 2.78 4.12 79.39 10.40 3.15 2.59 1.49 0.00 1.36 1.62 73 T C C 80.72 5.59 12.91 20.10 117.54 -140.28 -98.50 140.38 90.41 5.31 4.28 82.59 4.93 2.74 2.27 1.78 0.00 2.93 2.77 74 L C C 92.31 8.81 10.71 20.46 105.23 -135.00 -83.52 20.99 82.71 6.77 10.52 38.60 24.02 21.07 3.26 6.46 0.04 3.20 3.35 75 Y C T 155.35 4.29 11.72 17.29 107.14 36.93 -89.15 80.28 85.45 4.51 10.04 17.80 25.13 42.86 2.84 6.70 0.03 2.38 2.25 76 G C T 56.96 2.51 11.72 15.38 103.29 -32.77 80.01 1.22 89.78 2.91 7.31 32.17 24.91 33.03 1.47 5.62 0.00 1.45 1.34 77 F C C 134.09 4.81 8.57 15.01 107.24 106.45 -93.13 49.37 90.32 5.01 4.67 56.99 15.97 17.36 1.35 3.07 0.00 2.38 2.88 78 G C C 55.40 2.65 10.92 15.11 108.74 -52.16 90.26 11.29 96.13 2.26 1.62 78.18 4.86 13.28 0.41 0.96 0.00 1.39 0.92 79 G C C 50.85 3.88 12.71 18.22 112.23 -47.18 88.72 6.63 99.86 0.12 0.02 99.39 0.36 0.14 0.01 0.00 0.00 0.07 0.03