# 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 124.69 3.88 11.77 17.28 116.97 -160.57 -101.87 131.49 99.86 0.13 0.01 99.83 0.07 0.02 0.00 0.00 0.00 0.07 0.01 1 I C C 111.51 4.84 8.40 15.13 115.22 -147.55 -95.88 124.91 88.65 7.93 3.43 86.77 0.95 1.73 2.05 0.83 0.00 5.35 2.32 2 T C C 93.35 3.42 9.03 14.42 116.56 -165.48 -99.94 138.54 85.20 9.89 4.90 72.13 8.51 4.25 2.77 2.09 0.00 8.00 2.24 3 K C C 150.54 2.18 10.16 13.96 114.65 -133.22 -92.99 130.68 84.04 9.28 6.68 69.14 10.32 4.26 4.14 2.63 0.00 7.54 1.97 4 I C C 97.88 7.00 8.33 16.77 115.29 -143.37 -91.27 135.28 85.83 5.48 8.69 69.92 11.13 4.39 6.91 2.31 0.00 3.76 1.59 5 D C C 83.25 3.96 11.35 16.84 110.46 -135.80 -88.21 123.22 89.09 1.57 9.34 77.79 6.94 3.92 8.23 1.64 0.00 0.85 0.64 6 K C H 138.17 3.85 10.79 16.42 94.88 -146.04 -66.64 -25.70 51.12 0.70 48.19 19.67 9.72 22.02 43.10 4.81 0.03 0.34 0.32 7 N H H 100.09 3.27 12.30 16.70 95.81 61.39 -74.17 -23.75 46.20 0.63 53.17 16.24 8.76 21.70 48.30 4.36 0.04 0.30 0.30 8 K H H 112.12 3.08 13.58 17.49 94.91 59.83 -70.49 -36.98 29.43 0.97 69.60 17.99 6.47 6.50 64.57 3.64 0.02 0.49 0.33 9 V H H 61.40 5.51 13.06 20.32 93.65 53.10 -66.37 -41.62 20.46 1.05 78.49 14.74 3.41 3.80 74.92 2.24 0.01 0.63 0.25 10 R H H 100.70 7.84 13.89 22.77 92.59 51.97 -65.29 -40.61 13.60 1.35 85.04 9.88 2.07 2.93 81.68 2.10 0.01 1.10 0.23 11 K H H 117.04 3.55 16.16 20.49 92.75 51.12 -65.58 -40.69 10.15 1.01 88.84 6.78 1.58 2.67 86.05 1.87 0.01 0.87 0.16 12 K H H 117.63 2.33 17.73 19.75 92.69 49.58 -65.71 -41.02 9.40 0.78 89.82 5.62 1.43 3.00 87.37 1.78 0.01 0.63 0.14 13 R H H 94.71 8.01 16.40 25.39 92.64 50.09 -65.81 -40.93 9.25 0.59 90.16 4.91 1.48 3.44 87.84 1.74 0.02 0.44 0.13 14 H H H 66.17 11.33 15.08 27.17 92.54 51.01 -64.55 -40.39 10.26 0.39 89.34 5.27 1.60 3.91 87.05 1.79 0.01 0.25 0.12 15 A H H 57.08 3.53 17.93 21.88 92.29 51.71 -64.77 -40.03 12.03 0.39 87.58 5.79 1.84 4.86 84.96 2.17 0.02 0.24 0.12 16 R H H 128.43 3.03 18.74 21.74 92.80 50.64 -66.99 -39.62 14.13 0.61 85.26 6.66 2.22 5.97 81.83 2.72 0.03 0.38 0.18 17 V H H 36.42 13.58 14.70 28.86 93.10 50.60 -66.34 -40.84 15.45 0.75 83.79 7.75 2.73 6.20 79.24 3.34 0.04 0.45 0.24 18 R H H 107.71 11.07 15.80 27.10 92.54 54.86 -64.83 -36.25 17.29 0.71 82.00 8.18 2.78 7.37 75.41 5.53 0.04 0.44 0.25 19 S H H 75.66 3.17 17.67 21.01 93.79 56.01 -70.41 -28.93 25.10 0.62 74.28 8.33 4.00 13.39 64.53 9.06 0.08 0.34 0.27 20 K H H 124.64 4.83 17.83 23.32 97.59 49.89 -80.42 -20.05 35.95 0.95 63.11 10.19 5.95 20.52 53.62 8.64 0.14 0.50 0.45 21 I C H 39.17 18.82 11.07 28.63 105.54 62.43 -95.37 46.65 52.83 2.21 44.96 22.55 11.51 21.35 36.68 5.60 0.13 0.94 1.23 22 S C C 70.26 5.79 16.05 23.31 112.33 133.93 -86.97 133.03 86.23 2.10 11.67 38.38 12.05 35.98 8.95 2.59 0.00 0.99 1.05 23 G C T 51.62 4.23 15.49 20.86 102.03 17.77 84.71 -3.73 95.54 1.27 3.18 28.56 27.26 40.10 0.95 1.95 0.00 0.66 0.51 24 T C C 63.44 7.34 13.49 22.28 119.28 112.39 -101.75 142.41 93.06 4.11 2.84 68.74 18.61 4.81 1.02 1.79 0.00 1.46 3.57 25 E C T 130.72 5.97 14.20 21.72 94.60 -140.90 -71.56 -19.28 96.22 1.18 2.60 9.17 39.26 48.05 0.32 2.09 0.00 0.65 0.47 26 S C T 71.17 4.98 18.42 24.07 97.11 63.17 -83.10 -11.41 96.67 1.60 1.73 10.15 40.77 45.84 0.16 1.65 0.00 1.04 0.40 27 R C S 88.32 12.46 19.00 31.35 113.73 51.15 -114.11 111.02 94.77 5.08 0.15 44.38 50.88 0.52 0.03 0.11 0.00 3.14 0.93 28 P C C 11.51 22.05 17.12 39.37 116.61 -129.61 -68.87 147.78 89.93 10.02 0.05 88.23 1.74 0.17 0.01 0.03 0.00 9.40 0.42 29 R E E 67.46 13.74 26.47 40.05 122.24 -146.02 -110.35 136.21 11.75 88.23 0.02 11.05 0.60 0.03 0.00 0.01 0.00 86.70 1.60 30 L E E 5.33 26.16 19.93 46.43 120.63 -154.20 -107.92 132.20 2.66 97.34 0.00 2.51 0.09 0.00 0.00 0.00 0.00 97.35 0.04 31 N E E 31.50 13.80 27.73 41.81 121.80 -168.13 -117.22 132.02 0.56 99.44 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 32 V E E 9.76 24.57 19.97 44.42 120.71 -164.48 -116.61 127.70 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 33 F E E 57.91 11.64 26.19 38.07 127.05 -173.78 -126.79 137.99 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 34 R E E 83.71 16.94 18.54 34.45 119.35 -153.39 -106.93 128.60 3.37 96.63 0.00 2.94 0.20 0.02 0.00 0.00 0.00 96.76 0.09 35 S C C 31.17 9.49 18.38 28.91 131.48 169.79 -125.03 -174.55 70.67 29.29 0.04 68.11 1.31 0.11 0.01 0.02 0.00 30.04 0.39 36 N C S 112.34 4.64 17.41 23.17 91.64 -90.25 -64.55 -27.25 99.65 0.22 0.13 1.41 66.01 32.30 0.00 0.11 0.00 0.14 0.03 37 K C S 117.98 5.83 17.54 24.05 103.86 25.60 -109.16 -14.60 99.59 0.27 0.13 1.01 66.54 32.14 0.00 0.11 0.00 0.18 0.03 38 N E E 39.45 11.48 20.79 32.87 144.20 12.32 -157.68 161.68 23.55 76.43 0.02 18.69 3.82 0.12 0.00 0.01 0.00 77.10 0.25 39 I E E 5.78 24.58 17.47 42.98 120.57 -130.71 -114.31 130.28 0.52 99.48 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.50 0.01 40 Y E E 41.14 13.23 27.44 41.30 123.75 -168.92 -118.97 136.03 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 41 A E E 1.71 26.67 20.35 47.69 127.36 -169.97 -125.66 141.04 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 42 Q E E 30.94 15.42 28.65 44.20 127.49 -170.00 -127.80 139.55 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 43 V E E 3.84 24.72 23.04 47.98 117.18 -152.40 -106.85 126.47 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 44 I E E 18.93 16.07 22.74 39.49 125.04 -169.33 -120.83 136.16 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.61 0.04 45 D E E 29.08 12.31 19.63 33.47 108.10 -124.46 -81.40 117.38 18.20 81.79 0.01 17.40 0.35 0.03 0.00 0.01 0.00 81.90 0.32 46 D C T 53.49 14.70 15.23 30.39 93.56 -156.49 -70.76 -23.74 99.40 0.14 0.46 0.29 3.31 95.95 0.02 0.32 0.00 0.08 0.03 47 V C T 100.48 3.60 16.85 21.36 98.07 48.11 -78.39 -40.42 99.38 0.08 0.54 0.16 2.23 97.13 0.01 0.40 0.00 0.04 0.03 48 N C T 104.85 2.25 16.02 18.10 99.32 21.72 -102.46 -10.01 99.58 0.05 0.36 0.39 2.17 97.12 0.02 0.28 0.00 0.02 0.01 49 G C C 40.28 8.31 13.14 22.91 95.41 -123.59 74.59 11.73 99.21 0.47 0.32 67.04 5.93 26.27 0.07 0.22 0.00 0.36 0.12 50 V C C 67.63 6.63 18.52 26.52 116.17 148.82 -82.89 137.14 69.10 30.83 0.07 64.01 4.61 0.19 0.02 0.05 0.00 27.15 3.97 51 T E E 54.64 15.05 18.02 32.77 110.35 -121.16 -77.76 124.23 0.97 99.03 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.26 0.74 52 L E E 28.47 17.72 20.83 38.44 100.31 175.96 -95.04 -30.61 2.83 97.17 0.00 1.30 1.40 0.02 0.00 0.00 0.00 97.26 0.02 53 A E E 6.43 21.09 21.73 42.97 143.09 -0.79 -157.74 152.20 0.52 99.48 0.00 0.35 0.06 0.00 0.00 0.00 0.00 99.57 0.01 54 S E E 35.54 18.27 24.28 40.84 137.54 -173.87 -145.32 148.91 0.61 99.39 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 55 A E E 10.22 22.57 21.40 43.12 135.32 -174.05 -140.59 150.06 0.56 99.44 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.42 0.02 56 S E E 32.92 15.21 24.62 39.17 138.08 -174.81 -141.81 155.14 4.92 95.07 0.01 4.50 0.29 0.02 0.00 0.01 0.00 94.87 0.31 57 N C C 24.32 20.84 17.50 37.40 123.55 -140.00 -109.77 145.52 59.84 39.38 0.78 45.00 12.64 2.01 0.17 0.66 0.00 38.30 1.24 58 L C C 90.80 8.07 21.88 30.15 99.86 -146.76 -90.26 2.43 90.96 6.35 2.69 42.34 41.50 7.88 0.69 1.86 0.00 4.30 1.42 59 D C C 50.27 13.57 14.03 27.99 109.28 111.69 -82.12 115.36 90.66 2.26 7.08 64.45 19.60 6.39 2.91 4.10 0.00 0.99 1.55 60 K H G 146.28 3.62 16.06 21.47 93.97 -159.50 -68.35 -25.47 47.63 0.52 51.85 8.19 7.58 30.87 10.06 42.72 0.01 0.26 0.31 61 D H G 101.89 3.38 18.45 22.50 93.21 63.60 -73.95 -13.56 47.38 0.46 52.16 7.52 6.50 32.06 10.58 42.82 0.01 0.25 0.26 62 F H G 28.91 20.67 11.01 30.41 97.75 62.91 -85.63 -9.11 45.03 1.22 53.75 18.74 10.70 16.44 11.85 41.01 0.01 0.60 0.65 63 G C C 35.80 9.42 16.62 26.36 117.39 100.68 -64.05 -49.72 81.12 1.12 17.76 43.87 14.84 22.77 7.77 9.42 0.00 0.47 0.86 64 S C C 81.29 3.81 16.28 21.14 107.22 -19.93 -89.04 64.87 84.59 1.21 14.21 43.27 18.65 23.04 5.67 8.00 0.00 0.51 0.86 65 A C C 62.12 8.50 12.36 21.82 107.70 110.93 -87.93 87.82 89.64 0.94 9.42 64.28 14.02 11.26 4.80 4.54 0.00 0.41 0.68 66 E C C 129.34 4.25 15.29 20.71 106.56 59.78 -90.64 5.17 90.61 0.93 8.46 61.51 17.14 11.93 5.10 3.25 0.00 0.37 0.70 67 S C C 56.70 7.60 16.71 24.88 116.29 32.57 -98.31 137.87 89.07 1.08 9.85 59.55 19.24 10.17 7.06 2.80 0.00 0.41 0.78 68 K H H 89.55 13.79 18.40 31.24 97.29 -130.65 -72.50 -28.19 47.62 0.99 51.39 25.22 17.68 5.47 49.23 1.50 0.02 0.26 0.63 69 V H H 46.11 17.05 19.09 34.79 93.75 53.97 -64.63 -40.90 9.90 0.10 90.00 3.89 2.16 3.86 89.04 0.95 0.01 0.04 0.04 70 D H H 78.23 4.57 26.50 31.24 91.92 50.05 -64.93 -40.42 5.48 0.08 94.44 2.66 0.71 2.11 93.55 0.89 0.00 0.04 0.03 71 A H H 11.15 15.87 22.41 38.80 91.44 50.78 -63.88 -42.54 1.44 0.01 98.55 0.60 0.16 0.60 98.19 0.44 0.00 0.01 0.00 72 A H H 1.52 26.49 21.19 47.76 91.39 50.97 -64.09 -41.91 0.80 0.00 99.20 0.23 0.07 0.40 99.03 0.27 0.00 0.00 0.00 73 S H H 30.85 14.80 27.02 41.33 91.66 50.90 -63.62 -42.03 0.95 0.01 99.04 0.17 0.07 0.57 98.98 0.20 0.00 0.00 0.00 74 K H H 87.76 6.75 30.42 38.78 91.31 50.00 -64.28 -41.88 1.07 0.00 98.92 0.15 0.07 0.72 98.93 0.12 0.00 0.00 0.00 75 V H H 2.38 25.21 26.05 50.74 91.60 49.67 -64.11 -43.94 0.27 0.00 99.73 0.04 0.01 0.15 99.77 0.03 0.00 0.00 0.00 76 G H H 0.73 27.16 24.44 51.62 91.34 51.53 -62.95 -43.10 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 77 E H H 71.93 10.58 29.33 40.83 91.46 50.21 -64.11 -41.77 0.19 0.00 99.81 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 78 L H H 39.26 10.45 28.96 41.01 91.51 49.75 -63.88 -42.87 0.12 0.00 99.88 0.01 0.01 0.07 99.90 0.01 0.00 0.00 0.00 79 V H H 0.95 27.24 25.16 52.41 91.54 49.09 -64.32 -44.05 0.07 0.00 99.93 0.01 0.00 0.04 99.95 0.01 0.00 0.00 0.00 80 A H H 2.80 24.83 23.08 47.50 91.05 51.15 -62.99 -43.41 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 81 K H H 102.44 4.64 28.95 34.34 91.24 50.31 -63.42 -41.99 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 82 R H H 62.34 10.86 25.47 36.75 91.65 48.90 -64.80 -41.40 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 83 A H H 1.14 26.36 15.78 43.11 91.02 50.81 -63.20 -43.25 0.33 0.00 99.67 0.03 0.01 0.24 99.60 0.13 0.00 0.00 0.00 84 S H H 44.94 13.39 19.10 32.12 91.35 51.35 -62.59 -40.97 1.00 0.00 99.00 0.04 0.03 0.88 98.46 0.59 0.00 0.00 0.00 85 E H H 145.65 1.35 21.37 21.65 90.05 53.76 -65.12 -27.97 6.43 0.00 93.57 0.08 0.12 6.64 92.58 0.58 0.00 0.00 0.00 86 K C T 94.60 9.81 16.01 26.70 93.12 52.05 -88.60 2.23 77.20 0.02 22.79 0.23 0.73 76.52 21.76 0.72 0.00 0.00 0.02 87 G C T 45.92 3.49 22.92 26.60 97.21 -102.52 87.41 12.94 99.91 0.00 0.08 0.79 0.56 98.61 0.02 0.01 0.00 0.00 0.00 88 I C C 10.45 24.38 11.24 35.61 112.49 149.98 -81.40 125.02 90.80 9.16 0.04 91.48 0.36 0.04 0.01 0.01 0.00 7.67 0.43 89 T C C 73.68 6.80 24.75 32.43 101.69 173.03 -108.48 -11.23 84.64 15.33 0.04 72.98 9.93 0.23 0.00 0.04 0.00 16.59 0.24 90 S E E 27.59 13.00 25.91 39.61 136.03 33.30 -142.96 148.06 9.73 90.21 0.05 8.14 1.20 0.11 0.01 0.03 0.00 90.30 0.21 91 V E E 2.31 27.12 20.17 48.09 127.18 -167.12 -130.02 136.77 1.18 98.81 0.01 1.13 0.04 0.00 0.00 0.00 0.00 98.76 0.06 92 T E E 20.43 17.17 28.35 45.18 119.59 -159.78 -113.06 127.93 1.33 98.66 0.01 1.28 0.04 0.00 0.00 0.00 0.00 98.58 0.08 93 F E E 7.79 24.99 21.28 46.09 122.69 -168.81 -114.91 134.42 10.36 89.61 0.03 9.92 0.32 0.03 0.01 0.01 0.00 89.46 0.24 94 D E E 46.74 13.64 24.74 37.94 110.46 -142.23 -96.14 113.54 47.90 51.97 0.13 40.82 5.07 0.49 0.02 0.11 0.00 52.88 0.61 95 R C C 50.79 18.32 16.59 34.47 100.11 165.57 -99.76 3.65 83.08 15.67 1.25 70.96 8.14 3.20 0.27 1.13 0.00 14.05 2.24 96 G C T 41.49 8.07 17.64 26.51 103.41 -151.13 56.70 0.43 87.27 8.58 4.16 31.08 23.03 34.06 0.52 3.76 0.01 5.52 2.03 97 G C T 53.49 4.36 17.03 22.12 98.72 -24.42 82.83 0.00 90.87 3.86 5.28 12.45 37.50 41.29 0.50 4.78 0.00 2.36 1.12 98 Y C C 108.42 9.48 13.57 24.08 121.68 102.08 -102.82 144.24 86.27 8.30 5.43 44.64 29.78 11.76 1.14 4.51 0.01 4.29 3.86 99 L C C 93.83 7.36 17.31 25.57 113.21 -121.06 -87.34 131.68 91.15 5.92 2.93 65.99 16.05 8.88 0.91 2.16 0.00 3.59 2.42 100 Y C C 96.30 15.21 12.77 27.44 113.31 -131.20 -91.83 124.77 92.16 4.66 3.18 69.70 14.16 7.97 1.34 1.87 0.00 2.43 2.53 101 H C C 97.02 5.78 17.34 24.59 130.97 159.49 -138.46 158.87 92.84 1.93 5.24 64.23 24.96 3.30 4.58 0.93 0.00 0.62 1.37 102 G H H 43.50 4.08 20.13 24.78 110.69 -27.60 62.22 -130.85 24.47 0.17 75.35 4.04 11.19 9.81 73.57 1.19 0.05 0.04 0.12 103 R H H 78.57 15.68 19.24 34.14 92.84 2.16 -67.10 -33.50 6.11 0.04 93.84 1.07 1.02 3.90 93.10 0.85 0.02 0.02 0.02 104 V H H 6.97 24.31 18.02 41.97 91.70 53.68 -64.47 -41.96 1.94 0.03 98.02 0.55 0.24 1.03 97.63 0.52 0.00 0.01 0.00 105 K H H 90.95 9.70 25.35 35.19 91.59 51.99 -63.12 -41.38 0.48 0.00 99.51 0.13 0.04 0.22 99.43 0.17 0.00 0.00 0.00 106 A H H 25.81 9.12 25.59 35.95 91.58 50.97 -63.95 -42.27 0.20 0.00 99.80 0.03 0.01 0.11 99.78 0.07 0.00 0.00 0.00 107 L H H 5.08 24.47 23.59 47.41 91.99 49.57 -64.39 -43.03 0.13 0.00 99.87 0.02 0.01 0.08 99.86 0.04 0.00 0.00 0.00 108 A H H 6.75 21.28 22.85 43.66 91.34 50.38 -62.41 -43.11 0.12 0.00 99.88 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 109 E H H 92.69 4.04 28.32 32.53 91.42 50.09 -63.53 -41.85 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 110 A H H 13.46 12.80 22.09 36.23 91.52 50.71 -63.35 -43.02 0.18 0.00 99.82 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 111 A H H 2.74 24.42 15.81 40.78 91.22 50.39 -63.29 -42.62 0.36 0.00 99.64 0.06 0.02 0.24 99.60 0.09 0.00 0.00 0.00 112 R H H 121.96 8.67 19.61 28.93 91.61 50.75 -63.19 -41.18 1.14 0.01 98.85 0.19 0.10 0.82 98.61 0.27 0.00 0.00 0.00 113 E H H 141.11 1.85 20.02 21.51 90.36 53.09 -64.92 -28.90 6.50 0.01 93.49 0.18 0.23 6.17 93.09 0.32 0.00 0.00 0.00 114 N C T 62.74 11.34 14.17 26.49 93.73 51.39 -89.71 2.22 79.41 0.03 20.56 0.42 0.97 76.63 21.47 0.49 0.00 0.00 0.02 115 G C T 51.55 2.41 20.82 23.04 97.31 -100.05 87.41 10.01 99.62 0.06 0.32 2.27 1.47 96.01 0.13 0.07 0.00 0.03 0.02 116 L C C 17.91 22.41 9.20 30.72 117.54 141.45 -85.15 139.64 96.03 3.71 0.26 94.11 1.76 0.53 0.08 0.13 0.00 2.79 0.58 117 E C C 128.09 2.97 22.75 25.98 114.84 -140.07 -93.51 130.16 67.64 32.02 0.34 68.27 0.55 0.67 0.14 0.15 0.00 22.48 7.74 118 F C C 43.40 22.22 13.91 34.80 116.17 -157.98 -99.98 128.96 96.19 3.81 0.01 97.04 0.08 0.01 0.00 0.00 0.00 2.71 0.16