# 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 V C C 58.01 14.87 18.98 33.11 117.84 -163.02 -105.28 124.36 98.15 1.83 0.02 98.18 0.29 0.05 0.01 0.00 0.00 1.21 0.25 1 I C C 41.65 15.76 14.22 30.30 121.10 -162.30 -110.02 134.60 70.56 29.12 0.33 69.50 1.18 0.28 0.20 0.11 0.00 21.40 7.32 2 D C C 80.05 4.81 19.78 25.21 108.34 -127.47 -85.24 115.30 81.42 17.57 1.01 76.16 3.68 1.17 0.38 0.54 0.00 15.55 2.52 3 Y H G 48.56 20.66 10.88 30.38 95.17 -166.37 -71.60 -22.00 41.15 2.35 56.50 20.33 6.72 14.19 4.46 52.16 0.00 1.73 0.42 4 E H G 128.49 4.18 17.56 23.16 92.20 71.03 -68.42 -17.97 38.73 1.20 60.07 4.34 5.60 28.40 5.15 55.35 0.02 0.86 0.30 5 N H G 103.57 3.76 18.35 22.75 97.17 52.85 -91.94 2.28 35.44 1.74 62.82 7.28 6.64 22.56 5.63 56.21 0.01 1.27 0.39 6 I C C 28.74 20.34 10.93 30.43 115.47 104.02 -87.35 132.80 70.55 15.72 13.73 47.38 17.92 5.30 7.96 6.11 0.07 9.00 6.27 7 G C C 28.73 8.74 19.37 28.62 121.67 -158.20 -99.19 170.12 65.87 28.08 6.05 51.83 8.16 4.89 3.26 3.02 0.02 23.88 4.94 8 Y E E 116.28 10.73 16.48 27.57 122.27 -115.16 -111.58 138.90 43.54 50.58 5.87 31.96 7.03 3.78 3.63 3.05 0.12 39.96 10.47 9 L E E 64.85 12.80 12.89 26.01 116.27 -154.69 -105.76 126.01 46.81 46.85 6.34 26.36 13.04 10.86 2.74 4.01 0.22 36.79 5.99 10 G C T 51.37 4.48 13.95 19.84 106.12 -13.89 71.61 44.14 75.18 20.03 4.79 19.29 20.86 36.46 0.75 3.78 0.02 16.77 2.07 11 G C T 59.37 2.08 13.47 16.30 104.50 -21.98 80.16 -10.00 89.79 4.86 5.35 16.10 27.02 46.75 0.54 4.99 0.00 3.64 0.95 12 S C S 69.73 5.58 12.07 19.17 116.98 86.72 -98.09 146.00 84.43 10.65 4.92 19.99 32.76 32.49 0.46 4.58 0.00 8.18 1.52 13 S C C 74.10 5.71 14.85 21.77 106.48 -132.47 -86.89 68.03 63.64 32.68 3.67 30.11 22.73 12.61 0.50 3.27 0.01 28.84 1.95 14 I E E 78.54 10.26 16.91 27.79 119.86 -156.44 -100.43 135.86 44.57 54.33 1.10 33.94 9.38 1.82 0.45 0.78 0.00 48.47 5.16 15 V E E 17.37 19.87 15.66 35.60 119.77 -154.15 -106.30 132.75 34.60 65.12 0.28 29.43 3.15 0.30 0.16 0.16 0.00 52.71 14.09 16 D C C 43.43 10.57 25.06 36.13 108.32 -130.31 -85.90 117.54 59.03 40.86 0.12 57.87 1.22 0.12 0.05 0.06 0.00 34.24 6.44 17 I C T 7.47 25.55 18.07 43.98 92.40 -150.07 -65.22 -27.74 92.02 0.87 7.11 2.45 5.33 84.56 0.53 6.21 0.00 0.54 0.39 18 N C T 44.53 17.48 21.55 38.04 92.49 61.47 -75.52 -14.53 94.29 0.19 5.51 0.28 2.13 93.36 0.19 3.87 0.00 0.09 0.08 19 N C T 83.61 6.77 24.13 31.73 100.28 40.47 -106.78 5.01 91.56 0.68 7.75 3.56 6.68 80.88 0.46 7.72 0.00 0.43 0.27 20 A C C 9.06 22.51 13.42 35.81 118.59 118.84 -76.26 145.16 96.14 3.68 0.18 86.02 9.27 0.70 0.09 0.08 0.00 1.14 2.70 21 N C C 67.08 6.95 25.46 32.52 119.30 -123.98 -85.84 151.04 73.87 25.94 0.19 72.44 0.65 0.03 0.17 0.02 0.00 3.31 23.38 22 V H H 33.41 20.16 15.57 35.14 92.27 -117.49 -60.55 -37.26 4.16 0.03 95.82 0.52 0.40 3.07 85.10 10.87 0.01 0.01 0.01 23 R H H 141.99 3.25 22.81 26.36 91.43 55.66 -63.46 -39.76 1.85 0.01 98.15 0.09 0.09 1.61 84.48 13.71 0.00 0.01 0.00 24 A H H 25.24 11.09 19.79 32.04 91.93 49.92 -65.25 -39.97 1.25 0.00 98.74 0.07 0.06 1.04 82.90 15.93 0.00 0.00 0.00 25 Y H H 3.37 26.69 13.96 41.24 91.16 50.83 -67.58 -35.88 3.92 0.02 96.06 0.22 0.22 3.28 81.16 15.10 0.01 0.01 0.01 26 L C T 68.43 13.20 17.95 31.17 90.68 62.72 -67.78 -21.92 57.19 0.18 42.63 2.19 1.71 54.27 35.22 6.33 0.04 0.08 0.17 27 K C T 143.22 2.60 21.72 24.44 91.84 62.09 -80.11 -11.31 86.15 0.13 13.72 3.04 3.49 81.59 7.29 4.41 0.00 0.06 0.12 28 M C S 21.76 21.17 11.06 31.90 116.92 98.31 -82.27 136.41 99.58 0.30 0.11 7.49 91.78 0.28 0.05 0.02 0.00 0.05 0.34 29 P C T 84.13 5.14 22.18 27.78 111.06 -101.18 -62.00 137.95 99.79 0.04 0.18 0.23 2.32 97.30 0.01 0.11 0.00 0.02 0.03 30 G C T 34.25 9.07 20.18 29.91 95.73 22.55 87.02 -4.45 99.89 0.02 0.09 0.41 1.84 97.66 0.00 0.07 0.00 0.01 0.00 31 M C C 12.70 23.99 11.83 35.58 118.09 117.88 -91.64 136.27 95.99 3.92 0.08 83.90 10.15 0.15 0.04 0.03 0.00 0.75 4.99 32 Y C C 95.74 7.01 24.06 30.94 123.85 -155.07 -94.51 157.95 99.85 0.12 0.03 99.36 0.50 0.02 0.02 0.00 0.00 0.02 0.08 33 P H H 69.00 12.53 16.99 29.56 91.54 -107.02 -58.72 -37.19 4.06 0.00 95.93 0.17 0.24 3.37 95.89 0.32 0.00 0.00 0.00 34 T H H 83.12 3.24 24.09 27.15 91.97 52.93 -64.66 -39.97 2.41 0.00 97.59 0.12 0.10 2.01 97.45 0.31 0.00 0.00 0.00 35 V H H 18.24 17.59 20.84 38.20 91.90 47.81 -65.45 -42.31 0.36 0.00 99.64 0.05 0.02 0.23 99.51 0.20 0.00 0.00 0.00 36 A H H 1.85 25.83 17.37 43.75 90.86 51.68 -62.10 -43.42 0.06 0.00 99.94 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 37 G H H 26.23 8.66 24.12 33.44 91.09 52.04 -62.66 -41.52 0.17 0.00 99.83 0.01 0.01 0.12 99.78 0.08 0.00 0.00 0.00 38 K H H 82.64 7.73 25.23 33.32 91.64 50.78 -64.57 -41.96 0.44 0.00 99.56 0.02 0.01 0.36 99.47 0.13 0.00 0.00 0.00 39 I H H 2.49 26.02 18.37 44.69 91.84 48.81 -64.12 -43.23 1.05 0.01 98.94 0.08 0.07 0.84 98.74 0.25 0.00 0.00 0.00 40 V H H 24.84 20.00 19.04 38.05 92.31 48.56 -66.82 -37.60 8.07 0.07 91.86 0.99 0.62 6.19 89.21 2.89 0.02 0.04 0.03 41 S H H 80.94 2.49 23.08 25.37 92.72 49.83 -72.40 -27.89 30.39 0.08 69.54 3.26 1.80 24.22 67.53 3.09 0.02 0.03 0.05 42 H C H 89.37 9.40 18.18 28.08 100.14 40.40 -100.99 -7.23 54.56 0.28 45.15 15.83 9.91 28.86 40.96 4.07 0.04 0.08 0.24 43 G C C 18.82 15.56 17.17 32.11 127.92 -141.96 73.14 169.74 95.09 0.52 4.40 42.53 27.26 24.44 0.48 4.73 0.00 0.21 0.35 44 P C S 61.60 10.52 20.69 31.27 112.94 12.47 -70.86 140.29 96.12 0.42 3.47 31.40 35.47 28.16 0.24 4.30 0.00 0.20 0.23 45 Y C C 29.43 19.92 13.83 33.45 126.63 -162.57 -117.66 146.14 91.53 5.95 2.52 82.03 5.96 2.42 0.61 1.97 0.00 1.78 5.23 46 S C C 77.11 4.56 22.18 27.57 97.20 -151.38 -91.20 -13.03 99.07 0.67 0.26 62.37 35.95 0.81 0.12 0.12 0.00 0.24 0.39 47 G C S 18.92 7.39 24.86 33.23 145.21 -1.74 -167.21 168.69 95.41 3.90 0.69 10.47 84.55 0.29 0.50 0.06 0.00 0.42 3.71 48 V H H 16.54 22.84 14.74 37.52 91.29 -93.30 -61.40 -35.36 6.43 0.02 93.54 0.31 0.58 5.17 69.22 24.68 0.01 0.01 0.01 49 A H H 59.72 5.29 22.35 28.31 90.93 60.39 -62.08 -39.00 3.20 0.00 96.80 0.13 0.13 2.65 69.60 27.47 0.00 0.00 0.00 50 D H H 46.11 8.18 20.73 30.16 91.67 53.41 -65.50 -36.24 0.77 0.00 99.23 0.06 0.04 0.59 70.78 28.52 0.00 0.00 0.00 51 L H H 2.63 26.51 14.11 41.10 91.18 53.59 -64.62 -38.53 1.24 0.00 98.76 0.08 0.06 0.99 70.23 28.63 0.00 0.00 0.00 52 Y H H 75.66 15.12 18.21 33.13 90.84 57.33 -70.21 -21.31 21.83 0.02 78.15 0.40 0.52 21.73 40.59 36.73 0.01 0.01 0.02 53 K C T 149.17 1.97 21.80 23.26 92.52 60.24 -84.06 -4.17 65.75 0.04 34.21 0.92 1.51 67.09 11.49 18.93 0.00 0.02 0.05 54 I C S 19.84 21.30 9.14 29.73 113.07 108.96 -77.05 128.52 99.75 0.17 0.09 21.24 78.25 0.20 0.05 0.01 0.00 0.03 0.21 55 P C T 102.23 2.48 19.47 22.14 111.16 -109.35 -61.75 137.38 99.77 0.04 0.18 0.59 2.74 96.49 0.01 0.12 0.00 0.02 0.03 56 G C T 54.96 2.67 18.39 21.52 95.18 20.98 85.00 -2.07 99.90 0.01 0.09 0.80 2.09 97.02 0.01 0.07 0.00 0.01 0.00 57 L C C 14.20 23.85 7.28 29.22 116.40 130.66 -82.41 136.37 99.30 0.62 0.08 88.86 9.92 0.14 0.04 0.03 0.00 0.12 0.90 58 S C C 52.76 3.35 20.19 23.25 123.64 -136.60 -84.09 165.84 99.81 0.12 0.07 99.54 0.29 0.03 0.04 0.00 0.00 0.03 0.07 59 S H H 84.41 3.06 15.59 20.24 91.21 -99.87 -58.72 -37.82 1.84 0.00 98.16 0.35 0.26 0.92 98.21 0.25 0.00 0.00 0.00 60 A H H 69.56 2.35 19.13 21.03 91.63 52.55 -64.27 -40.72 0.70 0.00 99.30 0.10 0.05 0.42 99.23 0.21 0.00 0.00 0.00 61 E H H 33.95 16.93 16.11 32.94 91.97 49.17 -65.39 -41.43 0.20 0.00 99.80 0.04 0.01 0.10 99.69 0.17 0.00 0.00 0.00 62 A H H 15.13 16.71 15.98 33.21 91.29 51.88 -62.58 -42.22 0.07 0.00 99.93 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 63 D H H 83.20 2.07 23.78 24.05 91.31 50.44 -64.21 -40.86 0.10 0.00 99.89 0.01 0.00 0.07 99.86 0.05 0.00 0.00 0.00 64 V H H 33.73 9.88 20.17 31.48 91.50 50.00 -63.90 -42.97 0.23 0.00 99.77 0.01 0.01 0.20 99.68 0.10 0.00 0.00 0.00 65 I H H 3.08 25.88 14.18 40.51 91.50 49.64 -64.75 -41.20 0.65 0.00 99.35 0.02 0.02 0.61 98.96 0.39 0.00 0.00 0.00 66 K H H 106.58 8.67 19.16 28.57 91.16 53.93 -62.80 -38.49 3.49 0.00 96.51 0.10 0.09 3.43 90.52 5.85 0.00 0.00 0.00 67 K H H 142.13 1.60 21.09 21.46 91.02 54.41 -67.93 -28.11 22.53 0.01 77.46 0.16 0.28 24.80 68.10 6.65 0.01 0.00 0.00 68 Y C T 42.69 15.97 13.70 30.26 99.32 39.55 -108.29 5.12 53.77 0.05 46.18 1.63 1.40 50.72 36.94 9.24 0.00 0.02 0.05 69 E H G 63.91 18.19 12.55 29.76 92.10 108.36 -58.52 -37.63 21.50 0.17 78.33 1.57 1.58 17.38 4.04 75.28 0.00 0.10 0.05 70 S H G 94.14 1.08 19.67 19.50 90.20 57.78 -71.80 -15.90 24.90 0.12 74.98 0.49 1.15 22.69 2.43 73.14 0.00 0.08 0.02 71 R H G 116.37 8.00 17.97 26.77 96.82 51.13 -98.48 -4.49 25.72 0.38 73.90 1.40 2.39 20.61 2.31 72.95 0.00 0.28 0.06 72 L C E 15.84 23.73 11.27 34.17 121.63 89.49 -99.51 137.83 50.41 48.74 0.85 33.51 18.18 1.09 0.36 0.54 0.00 41.98 4.33 73 T E E 59.94 7.35 24.45 32.08 127.26 -170.87 -124.55 143.68 22.64 77.14 0.22 20.65 1.11 0.19 0.13 0.11 0.00 71.37 6.46 74 A E E 34.38 20.05 14.38 33.13 117.33 -144.98 -101.19 129.37 30.10 69.66 0.24 25.91 2.40 0.30 0.13 0.14 0.00 61.80 9.32 75 K C C 92.31 7.30 18.87 27.00 128.91 -166.22 -112.81 156.45 75.11 24.80 0.09 57.21 17.43 0.51 0.02 0.08 0.00 22.70 2.05 76 T C C 101.32 2.95 19.29 23.17 114.69 -90.98 -70.88 142.65 96.56 3.41 0.03 78.80 17.69 0.25 0.01 0.03 0.00 2.81 0.41 77 P C C 44.20 18.41 9.81 27.09 115.48 -105.98 -65.10 146.22 98.52 1.36 0.12 94.03 4.28 0.34 0.04 0.06 0.00 0.63 0.63 78 S C C 46.76 6.55 14.72 22.85 118.05 -119.10 -79.51 149.75 98.66 0.59 0.75 95.48 2.85 0.42 0.38 0.22 0.00 0.19 0.46 79 P H G 111.86 2.27 13.62 17.27 91.15 -115.73 -60.65 -27.30 36.56 0.37 63.08 5.78 4.98 24.46 13.48 50.93 0.00 0.21 0.16 80 D H G 97.30 3.70 15.23 19.86 92.39 63.17 -72.00 -18.56 34.18 0.68 65.15 4.83 4.28 23.78 15.44 51.00 0.01 0.43 0.23 81 Y H G 44.25 17.47 11.55 28.48 98.20 57.92 -88.85 -4.18 29.33 4.62 66.05 14.76 6.54 9.97 17.71 46.69 0.02 3.46 0.85 82 V C C 55.54 11.50 16.14 28.22 105.99 89.21 -82.49 45.27 53.30 15.10 31.60 38.83 9.50 5.67 25.10 6.58 0.08 10.27 3.97 83 I C C 74.97 9.00 16.37 25.97 103.85 72.50 -81.24 -26.69 48.62 18.24 33.14 35.40 7.11 6.20 27.36 5.80 0.09 15.22 2.82 84 D C C 72.96 7.71 16.60 25.01 106.20 52.10 -86.63 35.79 52.87 17.37 29.75 37.30 7.45 7.50 24.58 5.56 0.09 15.53 1.99 85 R C C 99.67 11.10 14.12 25.51 104.07 86.92 -83.89 26.11 48.86 22.51 28.63 33.30 7.61 8.06 22.74 5.77 0.18 19.16 3.17 86 I C C 76.30 10.12 13.25 24.06 106.07 110.75 -89.39 0.90 47.08 26.75 26.17 26.42 10.65 11.48 20.02 5.65 0.76 19.75 5.27 87 N C C 85.74 6.81 12.99 21.01 102.92 36.29 -93.41 42.09 64.55 14.65 20.81 27.50 14.41 23.65 14.55 5.84 0.46 10.17 3.42 88 N C T 111.43 3.55 13.86 18.53 98.16 -43.49 -35.65 21.16 86.24 2.02 11.74 19.56 17.05 50.21 6.23 4.95 0.01 1.24 0.75 89 G C T 41.72 6.99 11.83 20.11 99.09 -83.06 81.96 4.33 83.85 8.84 7.31 25.32 20.61 39.35 2.40 4.12 0.02 6.59 1.59 90 L C C 85.87 6.05 11.93 19.78 116.50 130.90 -93.01 133.81 58.60 36.32 5.08 37.90 12.64 8.01 2.52 2.97 0.07 27.98 7.90 91 Y C C 107.48 9.96 10.16 21.01 117.63 -154.34 -102.21 134.14 64.53 32.36 3.11 54.90 3.54 4.16 1.69 1.42 0.00 27.20 7.07 92 R C C 147.45 5.08 15.18 21.94 117.07 -154.27 -102.22 137.39 99.09 0.87 0.03 99.12 0.12 0.05 0.01 0.00 0.00 0.65 0.05