# 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 S C C 67.41 5.92 14.56 21.70 119.80 -159.91 -102.57 141.78 99.93 0.05 0.02 99.85 0.06 0.05 0.01 0.00 0.00 0.02 0.01 1 Y C C 126.55 8.25 9.86 19.18 114.64 -152.37 -98.52 130.91 85.78 2.76 11.47 80.35 1.71 4.82 7.40 2.86 0.00 1.53 1.33 2 R C C 155.51 3.62 10.99 16.35 108.76 -152.54 -88.83 109.94 80.48 4.12 15.41 59.01 11.95 9.62 8.45 6.80 0.00 2.54 1.63 3 K C C 138.30 3.66 11.50 16.82 109.05 -127.90 -92.22 107.17 77.28 4.82 17.90 54.72 11.87 10.61 8.77 9.07 0.01 2.87 2.08 4 L C C 90.80 8.64 9.46 18.99 105.28 -123.91 -81.25 59.55 80.02 3.32 16.67 34.47 14.79 31.81 7.84 7.77 0.02 1.75 1.55 5 G C T 58.13 2.06 13.66 16.25 100.79 4.11 79.70 2.49 90.03 1.55 8.42 33.26 21.73 35.67 3.58 4.29 0.00 0.77 0.70 6 R C C 104.97 7.80 9.40 18.73 120.12 114.60 -92.89 151.71 93.08 2.12 4.80 48.28 40.92 4.01 3.23 1.41 0.00 0.79 1.36 7 T C C 83.28 2.25 15.17 17.39 117.76 -104.49 -77.54 158.67 94.30 1.87 3.83 79.67 12.75 1.61 3.44 0.62 0.00 0.67 1.23 8 S H H 66.90 6.32 11.71 19.59 94.59 -105.30 -60.80 -40.96 6.68 0.02 93.29 2.11 2.08 2.32 92.80 0.67 0.00 0.01 0.01 9 A H H 76.50 1.78 15.57 17.16 92.66 51.42 -65.01 -39.53 2.88 0.01 97.11 0.62 0.38 1.62 96.70 0.66 0.00 0.00 0.00 10 Q H H 94.58 3.66 16.61 20.97 92.35 49.63 -66.20 -39.79 1.32 0.01 98.66 0.47 0.14 0.65 98.07 0.66 0.00 0.00 0.00 11 R H H 51.78 15.33 13.92 29.42 91.52 51.23 -64.10 -41.90 0.50 0.00 99.50 0.17 0.04 0.22 99.38 0.19 0.00 0.00 0.00 12 K H H 91.87 9.47 19.01 28.98 91.37 50.94 -62.83 -41.40 0.32 0.00 99.67 0.08 0.02 0.16 99.67 0.07 0.00 0.00 0.00 13 A H H 53.12 2.96 22.32 24.56 91.41 50.40 -63.45 -41.63 0.35 0.00 99.65 0.07 0.02 0.19 99.66 0.05 0.00 0.00 0.00 14 M H H 49.72 11.56 20.87 32.96 91.79 49.85 -64.79 -41.96 0.40 0.00 99.60 0.06 0.02 0.23 99.63 0.05 0.00 0.00 0.00 15 L H H 13.08 22.18 18.75 40.36 91.38 50.50 -63.56 -42.77 0.21 0.00 99.79 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 16 R H H 105.55 10.09 23.02 33.07 91.28 51.10 -62.66 -41.97 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 17 D H H 76.47 4.18 25.79 29.88 91.63 49.58 -64.99 -40.92 0.30 0.00 99.70 0.03 0.01 0.20 99.73 0.03 0.00 0.00 0.00 18 L H H 15.70 19.05 21.50 40.24 91.91 49.86 -64.49 -42.70 0.49 0.00 99.51 0.04 0.02 0.35 99.55 0.04 0.00 0.00 0.00 19 T H H 9.28 22.63 20.90 42.89 91.56 50.16 -63.66 -42.76 0.48 0.00 99.52 0.06 0.03 0.30 99.58 0.03 0.00 0.00 0.00 20 T H H 51.02 8.10 24.75 33.12 91.76 50.52 -64.14 -42.10 0.41 0.00 99.59 0.06 0.03 0.24 99.62 0.05 0.00 0.00 0.00 21 D H H 44.73 8.48 23.35 32.68 91.87 50.31 -65.23 -40.83 0.52 0.00 99.48 0.07 0.03 0.33 99.47 0.10 0.00 0.00 0.00 22 L H H 6.52 22.79 17.31 40.15 91.97 50.71 -64.64 -42.32 0.66 0.00 99.34 0.07 0.04 0.49 99.21 0.18 0.00 0.00 0.00 23 I H H 40.92 17.52 19.05 35.69 93.46 45.85 -68.74 -40.93 2.02 0.01 97.97 0.13 0.11 1.72 97.77 0.24 0.01 0.00 0.00 24 I H H 93.01 5.66 21.12 26.90 96.76 40.01 -79.68 -37.35 10.01 0.02 89.96 0.40 0.66 8.72 89.91 0.28 0.01 0.01 0.01 25 N H H 77.92 6.73 18.59 25.87 100.12 24.99 -102.14 -5.67 36.99 0.21 62.79 7.00 6.00 22.54 63.66 0.57 0.02 0.07 0.14 26 E C S 90.63 14.16 16.29 29.93 95.18 -131.58 62.88 20.42 98.26 1.40 0.33 26.04 67.95 4.37 0.14 0.16 0.00 1.18 0.16 27 R C E 99.21 7.84 22.54 31.38 134.66 66.79 -139.78 149.45 51.98 47.73 0.28 44.31 4.82 0.94 0.07 0.19 0.00 49.07 0.60 28 I E E 11.69 24.05 14.98 39.14 125.39 -167.68 -127.40 135.59 21.52 78.41 0.06 21.13 0.46 0.05 0.03 0.03 0.00 77.28 1.03 29 E E E 98.73 7.04 25.68 33.44 116.93 -155.09 -105.50 129.33 12.66 87.30 0.04 11.96 0.65 0.05 0.02 0.01 0.00 86.61 0.69 30 T E E 14.52 20.72 14.33 34.84 139.74 154.35 -146.67 167.50 32.84 67.13 0.03 30.35 1.95 0.05 0.01 0.02 0.00 67.00 0.63 31 T C C 58.17 5.32 22.05 27.38 119.62 -97.14 -76.41 162.44 75.26 24.62 0.11 73.56 2.05 0.09 0.07 0.03 0.00 23.08 1.12 32 E H H 106.63 9.47 15.36 25.71 91.75 -106.86 -58.66 -38.63 2.21 0.01 97.78 0.30 0.34 1.32 97.67 0.36 0.00 0.00 0.00 33 T H H 86.18 1.80 21.77 22.03 91.60 52.51 -63.41 -41.29 1.53 0.00 98.47 0.14 0.13 1.09 98.23 0.40 0.00 0.00 0.00 34 R H H 68.19 12.65 18.93 31.76 92.29 47.49 -66.66 -39.51 0.70 0.00 99.29 0.11 0.05 0.44 98.96 0.44 0.00 0.00 0.00 35 A H H 4.99 22.83 14.10 37.10 91.42 52.75 -62.65 -42.29 0.22 0.00 99.78 0.03 0.01 0.12 99.70 0.13 0.00 0.00 0.00 36 K H H 118.57 3.65 23.80 27.56 91.45 50.90 -63.81 -40.42 0.38 0.00 99.62 0.02 0.01 0.28 99.54 0.15 0.00 0.00 0.00 37 E H H 91.75 4.98 23.77 28.75 91.74 49.87 -65.37 -40.59 1.49 0.00 98.51 0.04 0.04 1.35 98.34 0.23 0.00 0.00 0.00 38 L H H 4.32 24.85 17.27 42.15 92.02 49.47 -66.34 -40.17 2.55 0.00 97.45 0.14 0.11 2.04 97.53 0.18 0.00 0.00 0.00 39 R H H 87.25 16.24 21.01 35.65 91.40 56.60 -60.51 -42.99 0.62 0.00 99.37 0.12 0.03 0.29 99.47 0.09 0.00 0.00 0.00 40 S H H 62.72 2.36 25.86 26.76 91.54 50.68 -64.09 -40.52 0.53 0.00 99.47 0.06 0.02 0.34 99.46 0.12 0.00 0.00 0.00 41 V H H 26.64 14.44 21.77 36.38 92.10 49.20 -65.59 -42.13 0.24 0.00 99.76 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 42 V H H 2.67 26.21 17.99 44.53 91.37 50.99 -63.00 -43.25 0.07 0.00 99.93 0.01 0.00 0.03 99.94 0.01 0.00 0.00 0.00 43 E H H 86.82 8.92 24.30 33.38 91.11 51.61 -62.44 -41.42 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 44 K H H 106.91 4.20 26.34 30.62 91.66 50.09 -64.91 -40.96 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 45 M H H 7.80 22.98 20.83 43.38 91.61 49.68 -64.44 -43.00 0.20 0.00 99.80 0.01 0.01 0.15 99.80 0.03 0.00 0.00 0.00 46 I H H 16.46 21.22 21.62 42.00 91.50 49.17 -64.01 -42.12 0.48 0.00 99.52 0.04 0.02 0.37 99.37 0.19 0.00 0.00 0.00 47 T H H 68.34 3.72 26.66 30.05 91.63 50.12 -64.00 -42.42 1.65 0.00 98.35 0.13 0.10 1.32 97.74 0.70 0.00 0.00 0.00 48 L H H 36.90 10.21 21.84 33.20 91.66 50.03 -65.04 -40.38 2.29 0.00 97.71 0.17 0.16 1.78 96.06 1.82 0.00 0.00 0.00 49 G H H 3.49 23.17 14.39 37.65 91.66 53.33 -65.40 -37.64 8.65 0.03 91.32 1.05 0.66 6.63 87.82 3.79 0.02 0.02 0.02 50 K H H 109.02 9.02 20.10 29.55 91.98 54.15 -68.95 -30.75 23.33 0.07 76.60 1.46 1.87 19.85 73.36 3.33 0.04 0.03 0.05 51 R H H 156.83 2.02 21.21 22.27 97.39 50.82 -88.80 -7.14 40.65 0.18 59.18 4.28 7.26 29.11 56.58 2.50 0.06 0.05 0.15 52 G C C 33.89 14.34 12.77 26.35 103.26 -126.73 72.79 24.27 98.76 0.29 0.95 45.42 28.02 25.40 0.51 0.36 0.00 0.12 0.17 53 D C C 72.86 4.26 19.15 23.73 123.55 145.28 -101.57 158.82 98.56 0.74 0.70 89.38 8.57 0.41 0.59 0.12 0.00 0.16 0.78 54 L H H 101.26 7.23 15.33 23.87 92.37 -105.99 -60.06 -36.85 5.67 0.01 94.32 0.86 0.99 3.53 93.79 0.81 0.00 0.00 0.01 55 H H H 121.33 2.23 20.63 22.17 91.69 52.89 -64.58 -40.70 3.31 0.00 96.69 0.38 0.30 2.41 96.01 0.90 0.00 0.00 0.00 56 A H H 14.33 14.34 16.03 31.62 91.70 49.92 -64.71 -41.16 0.77 0.00 99.22 0.17 0.06 0.42 98.67 0.67 0.00 0.00 0.00 57 R H H 58.10 18.38 17.59 34.82 91.74 52.30 -62.62 -42.24 0.22 0.00 99.78 0.04 0.01 0.12 99.66 0.18 0.00 0.00 0.00 58 R H H 128.08 4.33 24.74 29.29 91.81 50.16 -64.07 -40.91 0.19 0.00 99.81 0.02 0.01 0.12 99.75 0.10 0.00 0.00 0.00 59 Q H H 82.75 5.76 25.47 31.40 91.53 49.78 -64.50 -41.61 0.20 0.00 99.80 0.02 0.01 0.13 99.74 0.10 0.00 0.00 0.00 60 A H H 2.68 23.72 18.70 42.76 91.23 50.24 -63.42 -43.00 0.26 0.00 99.74 0.02 0.01 0.17 99.64 0.16 0.00 0.00 0.00 61 A H H 19.36 17.20 21.27 38.06 91.46 51.74 -62.64 -41.29 0.61 0.00 99.39 0.04 0.02 0.45 98.91 0.57 0.00 0.00 0.00 62 A H H 54.84 3.55 24.98 28.10 91.38 51.50 -64.02 -40.86 2.92 0.00 97.08 0.10 0.09 2.63 95.78 1.40 0.00 0.00 0.00 63 Y H H 65.39 11.70 21.89 33.81 92.38 49.40 -66.12 -40.44 8.25 0.02 91.73 0.37 0.38 7.30 90.56 1.36 0.01 0.01 0.01 64 I H H 5.69 24.23 16.07 40.28 95.10 46.73 -75.12 -35.29 19.23 0.33 80.43 4.71 3.29 11.82 78.14 1.65 0.07 0.12 0.19 65 R H H 102.37 13.15 18.13 30.72 93.48 64.39 -62.44 -39.92 18.51 0.35 81.14 7.41 2.78 8.79 73.40 7.24 0.04 0.19 0.16 66 N H H 112.07 2.05 20.70 22.08 94.52 44.32 -75.00 -30.18 22.77 0.35 76.88 6.22 3.16 13.47 67.50 9.23 0.06 0.19 0.16 67 E H H 79.98 9.11 17.90 27.54 99.51 43.88 -89.24 -28.93 24.72 0.78 74.50 8.75 4.20 12.55 65.03 8.64 0.08 0.43 0.31 68 V H H 23.59 18.07 12.40 29.98 105.37 50.79 -90.47 1.13 39.28 3.31 57.41 20.83 7.91 12.88 50.66 4.55 0.10 1.64 1.43 69 A C T 56.06 7.99 14.61 23.58 101.53 87.30 -70.11 -13.38 65.00 1.90 33.09 22.07 9.46 32.86 30.09 3.69 0.03 0.97 0.82 70 N C T 121.66 2.21 15.43 17.87 99.09 31.46 -85.59 25.10 80.10 0.79 19.10 24.65 15.71 39.89 15.15 3.80 0.00 0.37 0.43 71 E C S 95.79 7.89 10.40 19.63 113.51 114.36 -89.85 142.35 78.94 0.62 20.44 29.51 30.33 19.37 14.59 5.46 0.00 0.21 0.52 72 E C T 147.98 1.93 14.26 16.79 98.17 -127.19 -70.33 -22.79 68.46 0.56 30.98 21.12 20.49 27.60 20.77 9.34 0.01 0.22 0.44 73 N C C 96.18 5.17 14.64 20.83 101.67 49.35 -86.98 31.65 65.24 1.17 33.58 32.33 13.35 20.20 24.02 8.88 0.02 0.51 0.69 74 N C C 46.37 15.12 12.07 26.91 97.82 114.71 -79.18 -7.48 58.03 0.91 41.07 43.50 6.22 8.11 35.52 5.77 0.00 0.39 0.48 75 Q H H 89.99 9.44 17.05 26.98 94.99 89.45 -66.70 -35.43 42.36 0.49 57.16 29.53 5.49 6.36 56.01 2.22 0.00 0.19 0.21 76 D H H 86.52 3.40 22.88 25.59 93.74 52.68 -68.72 -32.73 27.94 0.34 71.71 19.89 3.07 4.60 70.66 1.50 0.00 0.14 0.14 77 A H H 12.28 16.34 18.40 35.35 92.48 62.27 -64.70 -41.68 4.71 0.05 95.24 2.89 0.49 1.15 94.84 0.60 0.00 0.02 0.01 78 L H H 11.74 22.45 18.34 40.36 91.87 51.21 -63.28 -42.41 0.87 0.01 99.12 0.39 0.09 0.33 98.90 0.29 0.00 0.00 0.00 79 Q H H 82.77 7.03 23.59 30.89 91.50 51.31 -63.31 -41.52 0.44 0.00 99.55 0.14 0.04 0.21 99.39 0.22 0.00 0.00 0.00 80 K H H 87.69 6.17 23.85 30.22 91.68 50.03 -64.32 -41.77 0.42 0.00 99.57 0.09 0.03 0.25 99.41 0.21 0.00 0.00 0.00 81 L H H 5.51 23.79 18.25 42.05 91.56 49.31 -63.99 -43.22 0.57 0.00 99.43 0.07 0.04 0.38 99.28 0.23 0.00 0.00 0.00 82 F H H 30.54 20.24 19.06 38.33 93.70 42.61 -70.91 -39.47 1.51 0.00 98.48 0.09 0.09 1.25 98.26 0.29 0.01 0.00 0.00 83 S H H 65.74 3.58 22.27 25.66 99.53 37.02 -87.36 -37.72 9.58 0.01 90.41 0.13 0.31 9.78 89.31 0.43 0.03 0.00 0.01 84 D C T 74.08 5.44 21.66 27.40 104.33 27.06 -99.10 -39.37 60.61 0.03 39.36 0.30 1.59 57.60 39.77 0.69 0.01 0.01 0.03 85 I H H 8.41 21.38 17.96 39.40 99.80 33.48 -82.21 -43.56 30.88 0.04 69.09 0.57 1.52 28.94 66.23 2.64 0.05 0.01 0.04 86 A H H 8.14 20.65 15.77 36.63 91.26 54.54 -60.99 -42.92 4.03 0.01 95.96 0.45 0.26 2.78 73.15 23.34 0.00 0.01 0.00 87 T H H 78.50 3.00 22.52 24.97 91.41 51.61 -64.20 -37.16 2.52 0.01 97.47 0.16 0.12 1.96 71.37 26.39 0.00 0.00 0.00 88 R H H 109.68 7.44 19.92 27.92 91.76 52.97 -68.35 -29.91 3.72 0.01 96.27 0.17 0.17 3.00 72.23 24.43 0.00 0.00 0.00 89 Y H H 14.98 21.67 12.18 34.03 98.74 41.36 -105.14 3.07 26.33 0.28 73.40 2.44 2.36 19.73 55.83 19.16 0.14 0.11 0.22 90 E C T 102.25 10.39 15.37 26.67 92.64 103.86 -60.92 -33.50 80.91 0.27 18.82 3.39 4.19 72.89 13.35 5.81 0.01 0.12 0.25 91 E C T 154.85 1.07 19.20 18.62 94.70 49.12 -86.24 3.65 87.06 0.23 12.71 3.64 6.69 77.21 5.57 6.61 0.00 0.13 0.15 92 R C C 70.58 16.30 9.89 25.48 116.07 104.86 -85.21 136.34 93.98 1.21 4.81 77.76 12.25 3.97 1.51 3.12 0.00 0.55 0.85 93 Q C C 135.92 2.51 19.37 22.22 111.22 -152.21 -90.99 125.71 93.42 4.42 2.17 41.74 21.59 30.32 0.45 1.72 0.00 2.10 2.08 94 G C S 29.43 8.90 18.39 27.89 127.40 14.70 119.09 -174.64 92.15 6.74 1.11 11.17 42.10 39.28 0.07 1.19 0.00 5.38 0.82 95 G C C 20.30 14.64 18.54 32.70 126.52 -102.78 124.09 -174.48 76.90 22.25 0.84 50.39 19.49 6.63 0.10 0.98 0.00 21.29 1.12 96 Y E E 64.06 15.45 21.95 36.73 131.70 -140.07 -131.78 152.85 25.73 74.17 0.10 21.41 4.04 0.32 0.03 0.08 0.00 73.14 0.97 97 T E E 21.26 21.08 18.21 38.72 126.46 -145.67 -120.99 140.36 3.23 96.76 0.01 2.87 0.19 0.02 0.00 0.00 0.00 96.84 0.07 98 R E E 85.38 11.19 24.14 35.39 124.71 -162.43 -119.28 138.66 0.75 99.25 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.28 0.02 99 I E E 43.65 18.93 17.21 35.52 119.71 -153.43 -111.72 128.24 0.62 99.38 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.41 0.01 100 M E E 59.60 11.21 20.01 32.02 122.31 -169.46 -117.23 137.04 0.56 99.44 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.01 101 K E E 105.85 9.26 18.81 28.86 113.71 -128.27 -86.33 128.09 1.88 98.11 0.01 1.71 0.07 0.01 0.00 0.00 0.00 98.14 0.06 102 L E E 51.59 14.37 14.28 28.96 116.72 -170.51 -111.05 128.93 20.77 79.20 0.03 18.67 1.57 0.09 0.00 0.02 0.00 79.15 0.50 103 G E E 28.94 5.17 19.17 25.03 137.35 -74.93 138.43 -176.85 45.26 54.72 0.02 32.16 11.82 0.29 0.00 0.02 0.00 55.29 0.42 104 P C C 88.40 4.84 15.79 21.92 114.94 -51.30 -68.24 146.71 53.04 46.68 0.28 48.19 3.19 0.43 0.10 0.20 0.00 42.05 5.84 105 R C C 86.43 12.24 8.72 21.35 113.39 -115.52 -80.87 134.49 69.28 30.09 0.64 62.96 4.54 0.81 0.30 0.39 0.00 17.39 13.61 106 R C T 185.86 1.42 11.83 14.19 107.62 -110.35 -66.16 129.90 90.74 2.66 6.59 5.98 21.56 62.17 0.32 7.33 0.00 1.71 0.92 107 G C T 68.40 0.37 12.15 10.55 99.64 14.09 80.53 -6.53 91.27 0.64 8.09 2.21 15.54 71.97 0.28 9.33 0.00 0.35 0.32 108 D C T 89.02 4.70 9.88 15.93 103.65 55.22 -99.75 4.93 90.17 1.14 8.68 5.66 20.54 61.76 0.34 10.49 0.00 0.63 0.58 109 G C S 53.26 2.85 14.06 17.92 95.93 -126.57 77.03 5.88 95.97 2.76 1.26 33.12 35.64 27.20 0.12 1.38 0.00 1.68 0.86 110 A C C 31.58 10.28 12.53 24.64 119.93 132.66 -79.35 150.21 86.73 13.19 0.08 64.66 22.51 0.40 0.02 0.08 0.00 10.75 1.59 111 P E E 47.83 9.53 18.71 29.37 114.83 -103.83 -66.85 148.39 48.69 51.27 0.05 46.94 1.27 0.09 0.01 0.03 0.00 47.71 3.94 112 M E E 36.19 16.67 18.72 35.33 130.49 -148.09 -125.80 150.41 17.74 82.23 0.02 15.87 1.77 0.07 0.00 0.02 0.00 81.73 0.54 113 A E E 6.75 21.13 19.00 40.46 124.38 -144.43 -113.63 140.59 1.52 98.48 0.00 1.43 0.07 0.00 0.00 0.00 0.00 98.46 0.04 114 I E E 36.01 12.13 25.26 38.29 116.96 -145.46 -103.54 127.71 0.42 99.58 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 115 I E E 6.25 24.50 17.93 42.88 120.57 -164.47 -112.09 130.60 0.29 99.71 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 116 E E E 66.16 9.44 25.08 34.86 122.30 -167.06 -115.12 134.53 0.36 99.64 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.63 0.01 117 L E E 30.52 19.42 15.96 35.22 114.50 -133.70 -86.23 128.94 4.55 95.44 0.01 4.71 0.05 0.01 0.00 0.00 0.00 95.00 0.23 118 V C C 44.33 12.49 19.92 32.89 114.95 -160.97 -103.99 126.28 97.34 2.66 0.00 97.49 0.05 0.00 0.00 0.00 0.00 2.43 0.02