# 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 43.75 17.24 15.04 31.72 121.22 -167.06 -110.93 130.01 98.79 1.21 0.01 98.92 0.05 0.01 0.00 0.00 0.00 1.00 0.02 1 Q E E 102.21 5.82 20.00 26.83 118.34 -155.57 -106.10 130.26 45.14 54.71 0.15 44.55 0.55 0.18 0.08 0.06 0.00 52.26 2.33 2 L E E 47.23 18.56 12.20 29.98 120.24 -154.14 -104.20 133.65 31.93 67.80 0.27 29.40 1.71 0.32 0.11 0.15 0.00 66.47 1.84 3 Q E E 92.99 7.14 19.35 27.51 123.12 -166.42 -116.90 139.21 31.41 68.25 0.34 27.15 3.17 0.53 0.12 0.22 0.00 66.06 2.74 4 Q C C 82.00 13.73 14.29 27.84 119.81 -140.56 -103.25 134.24 54.89 44.79 0.32 45.06 7.85 0.97 0.07 0.27 0.00 44.56 1.21 5 S C C 60.25 9.08 16.55 26.18 110.18 -150.13 -86.74 135.61 75.55 24.02 0.43 52.36 17.21 4.63 0.06 0.47 0.00 24.45 0.83 6 G C C 34.34 6.64 18.73 25.99 128.37 -79.31 120.59 -175.89 72.11 27.51 0.38 38.23 29.01 5.21 0.04 0.43 0.00 26.11 0.96 7 A C C 51.19 13.41 15.87 29.06 120.18 -56.39 -92.69 142.20 56.01 43.74 0.25 46.53 7.16 0.95 0.03 0.24 0.00 44.41 0.67 8 E E E 63.03 13.78 18.83 32.62 125.05 -167.64 -120.12 140.23 15.37 84.53 0.10 13.08 2.09 0.22 0.02 0.09 0.00 83.94 0.57 9 L E E 82.03 11.08 21.46 32.49 116.41 -132.94 -95.65 128.84 6.13 93.84 0.03 5.54 0.47 0.03 0.01 0.02 0.00 93.50 0.43 10 M E E 20.56 20.32 14.95 35.06 131.54 -176.49 -130.09 148.83 6.99 93.00 0.01 6.79 0.24 0.01 0.01 0.00 0.00 89.11 3.84 11 R C C 122.47 4.76 23.55 28.54 121.11 -121.43 -89.52 148.50 94.19 5.80 0.01 93.89 0.65 0.03 0.00 0.01 0.00 5.09 0.33 12 P C T 60.76 13.91 14.24 28.28 110.28 -85.71 -58.98 136.75 99.60 0.29 0.12 0.12 1.69 97.94 0.00 0.07 0.00 0.15 0.03 13 G C T 47.14 4.06 19.85 24.72 95.88 22.47 88.11 -5.98 99.74 0.18 0.08 0.22 1.87 97.74 0.00 0.05 0.00 0.11 0.01 14 A C C 35.79 10.49 16.38 28.18 122.10 124.61 -79.32 155.92 93.82 6.15 0.04 84.35 9.38 0.13 0.01 0.04 0.00 5.68 0.42 15 S E E 56.80 9.94 19.61 30.25 127.06 -140.08 -116.36 147.60 36.82 63.17 0.01 37.32 0.44 0.03 0.00 0.01 0.00 61.30 0.90 16 M E E 18.68 21.93 16.03 37.70 129.06 -168.66 -130.55 142.56 1.31 98.69 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.64 0.06 17 K E E 107.05 7.29 24.67 32.76 117.40 -143.64 -103.37 128.83 0.58 99.42 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.41 0.01 18 I E E 5.42 25.65 16.20 42.53 122.06 -168.04 -116.03 131.78 2.54 97.45 0.00 2.51 0.06 0.00 0.00 0.00 0.00 97.35 0.07 19 S E E 38.35 9.56 26.64 36.69 126.19 -167.58 -115.78 143.98 15.00 84.98 0.02 13.97 0.54 0.04 0.00 0.01 0.00 85.30 0.13 20 C E E 5.97 25.23 16.14 41.60 131.52 -175.63 -135.63 145.24 19.58 80.37 0.06 18.35 0.90 0.07 0.02 0.03 0.00 80.28 0.35 21 K E E 98.58 6.89 26.83 34.48 122.24 -161.35 -116.48 134.18 9.14 90.78 0.08 8.50 0.65 0.09 0.04 0.04 0.00 88.78 1.90 22 A E E 8.85 24.05 13.93 37.69 118.30 -163.16 -111.24 128.04 28.81 71.02 0.17 27.38 1.20 0.19 0.07 0.10 0.00 68.07 2.99 23 T C C 72.76 6.40 21.55 28.59 122.54 -169.71 -114.82 142.21 68.38 31.23 0.40 47.90 16.35 4.19 0.07 0.46 0.00 29.45 1.58 24 G C S 50.36 3.48 20.65 24.48 98.76 14.47 84.12 -3.49 88.29 11.12 0.58 14.36 61.06 12.55 0.05 0.62 0.00 10.43 0.93 25 Y C S 61.58 16.87 13.67 30.00 124.50 98.45 -108.56 149.81 87.81 11.28 0.91 36.87 41.86 9.66 0.11 1.00 0.00 8.78 1.71 26 T C C 72.39 7.57 22.00 29.94 116.82 -157.19 -109.99 128.91 87.35 11.92 0.73 64.57 15.80 6.79 0.11 0.85 0.00 9.51 2.36 27 F C C 33.90 20.89 14.26 34.20 122.97 -152.12 -114.13 137.48 76.30 22.90 0.80 65.74 7.72 2.07 0.19 0.77 0.00 16.90 6.61 28 S C S 65.52 6.07 21.88 28.31 100.34 -159.55 -92.23 -19.50 78.26 21.14 0.60 24.95 39.16 14.80 0.06 0.69 0.00 18.82 1.52 29 S C E 46.06 9.26 22.60 32.06 127.92 23.42 -135.91 135.96 64.32 35.11 0.56 23.20 27.78 13.59 0.05 0.63 0.00 33.73 1.03 30 Y E E 21.51 22.77 17.64 39.65 133.33 145.37 -133.06 149.73 40.08 59.82 0.11 35.11 3.68 0.32 0.02 0.10 0.00 60.09 0.67 31 W E E 42.27 15.00 27.14 42.20 130.39 -158.52 -127.61 146.53 8.01 91.99 0.01 7.71 0.27 0.01 0.00 0.00 0.00 91.75 0.25 32 I E E 2.02 26.98 21.76 49.50 121.19 -156.12 -115.23 130.99 1.34 98.66 0.00 1.28 0.04 0.00 0.00 0.00 0.00 98.66 0.02 33 D E E 22.54 16.77 28.14 44.51 126.14 -171.67 -120.18 142.05 0.54 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.00 34 W E E 6.84 24.80 22.54 47.36 123.01 -154.20 -111.96 137.38 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.00 35 V E E 11.85 18.90 24.29 42.98 129.71 -171.15 -126.10 144.67 0.27 99.73 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 36 K E E 44.64 15.75 22.56 37.97 123.56 -160.16 -114.25 136.88 0.49 99.51 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 37 Q E E 56.86 13.67 17.50 31.65 116.04 -141.91 -98.75 128.72 3.81 96.18 0.01 3.44 0.18 0.01 0.00 0.00 0.00 96.23 0.14 38 R C C 83.51 9.41 14.78 25.57 118.51 -149.95 -94.25 145.66 61.62 38.29 0.08 59.98 1.21 0.15 0.01 0.06 0.00 37.90 0.68 39 P C T 95.68 4.88 12.37 19.17 109.48 -89.73 -58.35 136.05 95.07 0.23 4.70 0.23 2.24 92.07 0.04 5.26 0.00 0.12 0.04 40 G C T 69.11 0.34 13.07 11.04 95.68 14.78 82.12 -3.62 95.25 0.06 4.69 0.21 1.96 92.37 0.04 5.38 0.00 0.03 0.01 41 H C T 119.14 4.23 11.93 17.67 106.12 68.88 -107.98 -4.39 90.56 2.66 6.77 5.17 17.84 66.12 0.16 8.51 0.00 1.67 0.53 42 G C E 30.05 4.75 16.98 23.06 126.67 -122.63 89.46 -167.38 50.03 49.89 0.08 38.77 9.96 1.23 0.01 0.09 0.00 48.87 1.07 43 L E E 56.79 15.92 13.62 29.36 115.86 -23.15 -75.65 137.36 16.44 83.55 0.01 14.29 0.95 0.06 0.00 0.01 0.00 84.60 0.10 44 E E E 73.47 9.90 21.26 31.75 127.64 -171.09 -126.31 140.84 1.13 98.87 0.00 0.96 0.05 0.00 0.00 0.00 0.00 98.97 0.01 45 W E E 97.40 15.07 19.63 34.29 110.46 -112.03 -71.65 127.93 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 46 I E E 11.79 21.00 20.44 41.86 100.64 176.47 -101.27 -25.72 2.23 97.76 0.00 1.48 0.50 0.06 0.00 0.00 0.00 97.95 0.01 47 G E E 2.82 18.01 23.25 41.92 145.43 -42.98 167.03 174.69 1.57 98.42 0.00 1.01 0.30 0.03 0.00 0.00 0.00 98.64 0.01 48 E E E 54.43 13.92 26.01 39.98 131.61 -99.53 -133.33 147.16 1.73 98.27 0.01 1.53 0.09 0.01 0.00 0.00 0.00 98.34 0.03 49 I E E 7.50 23.75 17.89 42.22 116.88 -145.43 -107.83 125.58 4.29 95.70 0.01 3.95 0.27 0.02 0.01 0.01 0.00 94.07 1.67 50 L C C 51.15 9.19 23.58 33.54 112.23 -152.09 -99.74 119.28 67.89 32.04 0.07 64.20 2.46 0.19 0.01 0.05 0.00 31.97 1.11 51 P C T 47.42 16.41 14.14 30.12 109.61 -115.35 -62.45 137.32 93.21 2.08 4.72 4.80 9.85 77.43 0.18 5.66 0.00 1.72 0.37 52 G C T 59.43 2.17 17.36 19.84 96.65 19.23 81.04 -4.06 94.22 0.82 4.96 2.82 9.92 80.33 0.18 5.93 0.00 0.57 0.25 53 S C T 64.92 4.86 14.97 20.82 106.48 72.94 -102.94 -7.31 89.07 2.85 8.07 18.00 31.01 38.84 0.42 9.14 0.00 1.61 0.98 54 G C S 45.12 7.15 14.50 22.80 100.05 -121.21 83.01 3.19 91.76 6.60 1.64 34.03 39.52 18.46 0.19 1.68 0.00 4.89 1.23 55 D C C 84.56 4.83 18.78 24.60 118.88 112.93 -89.70 143.03 77.79 21.13 1.08 53.72 20.20 4.09 0.19 1.15 0.00 17.43 3.22 56 T C C 45.72 19.19 12.47 30.46 122.30 -160.16 -115.84 135.60 55.51 43.73 0.76 47.05 5.84 1.35 0.21 0.67 0.00 39.32 5.55 57 N E E 80.29 6.52 23.33 30.17 119.99 -168.49 -119.09 127.43 42.38 57.10 0.52 34.56 6.74 1.25 0.18 0.44 0.00 51.15 5.67 58 Y E C 70.51 19.79 13.49 31.88 124.49 -159.45 -102.90 141.87 46.68 52.89 0.43 40.56 3.90 0.44 0.29 0.24 0.00 36.63 17.94 59 N C C 40.52 12.55 14.50 28.07 115.17 -135.04 -86.12 141.03 94.67 5.17 0.16 92.81 2.14 0.24 0.06 0.07 0.00 3.38 1.29 60 E C G 149.07 1.91 16.57 19.18 91.49 -118.97 -61.33 -31.74 49.96 0.25 49.79 1.17 4.08 43.20 2.27 49.02 0.00 0.14 0.12 61 N H G 98.44 4.71 17.29 23.12 90.53 61.69 -68.69 -22.26 49.03 0.14 50.83 0.47 2.47 45.70 1.81 49.40 0.00 0.07 0.07 62 F C G 12.11 22.21 10.17 32.34 98.56 43.81 -102.78 -0.85 49.73 0.67 49.60 2.04 4.55 41.90 2.66 48.16 0.00 0.38 0.31 63 K C T 121.17 7.60 14.67 24.49 110.27 124.42 -60.89 130.28 91.09 1.92 7.00 4.22 4.10 83.33 2.56 3.56 0.00 0.97 1.25 64 G C T 62.58 1.22 18.26 18.46 94.84 15.55 80.32 -3.40 91.58 0.52 7.90 1.27 4.37 86.91 1.67 5.23 0.00 0.32 0.23 65 K C T 97.18 9.60 18.27 28.24 100.88 73.67 -100.53 -15.43 90.16 1.89 7.95 11.91 20.28 58.01 1.91 5.97 0.00 1.41 0.50 66 A E E 7.09 23.51 12.69 36.05 133.68 42.94 -130.41 150.47 44.73 54.18 1.09 34.66 8.52 1.57 0.39 0.68 0.00 51.28 2.89 67 A E E 47.63 7.68 26.43 34.79 132.00 -166.04 -133.57 148.36 6.91 92.97 0.12 6.15 0.63 0.10 0.05 0.06 0.00 92.15 0.85 68 F E E 26.76 24.12 15.19 38.85 126.22 -159.26 -125.45 136.99 4.76 95.18 0.06 4.37 0.32 0.05 0.02 0.03 0.00 94.96 0.25 69 T E E 63.71 6.52 26.87 33.97 126.89 -173.73 -128.95 139.93 7.93 92.01 0.06 6.88 0.79 0.09 0.01 0.03 0.00 91.92 0.28 70 A E E 24.27 22.34 13.19 34.56 123.21 -160.92 -116.87 137.07 17.48 82.26 0.25 14.61 2.68 0.40 0.07 0.17 0.00 80.76 1.31 71 D C C 59.53 7.41 20.37 28.64 110.03 -153.84 -106.98 110.11 50.88 48.83 0.29 47.65 2.15 0.40 0.08 0.20 0.00 47.02 2.49 72 T C T 77.41 10.79 14.29 26.20 93.16 -164.37 -68.89 -23.62 88.72 1.43 9.85 5.45 15.68 66.36 0.43 10.67 0.00 1.05 0.35 73 S C T 87.17 1.58 18.75 19.67 93.12 57.34 -76.06 -20.14 89.02 1.21 9.77 3.28 15.63 68.95 0.44 10.48 0.00 0.81 0.41 74 S C T 44.77 9.34 16.74 26.61 107.04 39.73 -104.07 3.56 89.28 1.03 9.69 10.42 30.95 46.56 0.45 10.61 0.00 0.62 0.39 75 N C T 58.75 15.27 17.72 32.61 96.43 -132.55 59.30 29.97 97.88 1.33 0.79 15.00 36.42 46.37 0.07 0.80 0.00 1.12 0.21 76 T E E 32.94 12.11 23.31 36.46 130.52 117.33 -124.27 148.67 33.52 66.36 0.11 26.49 6.56 0.63 0.03 0.11 0.00 63.73 2.45 77 A E E 2.70 25.35 18.85 44.77 127.48 -167.21 -126.69 140.25 7.13 92.86 0.01 6.74 0.32 0.03 0.00 0.00 0.00 92.50 0.40 78 Y E E 54.37 13.25 27.64 41.37 123.92 -159.61 -118.64 136.10 2.15 97.84 0.00 1.90 0.11 0.01 0.00 0.00 0.00 97.94 0.04 79 M E E 3.18 26.28 20.11 47.10 122.60 -167.98 -118.59 131.52 0.47 99.53 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 80 Q E E 60.41 11.01 27.64 39.22 116.73 -158.50 -108.51 124.83 0.37 99.63 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.59 0.03 81 L E E 5.68 25.25 16.89 42.78 116.67 -165.09 -110.06 123.89 14.94 85.06 0.01 15.18 0.13 0.01 0.00 0.00 0.00 83.94 0.75 82 T C C 57.48 8.18 23.58 31.83 125.49 -167.25 -108.88 153.82 90.79 9.09 0.13 41.36 39.86 8.58 0.00 0.20 0.00 9.72 0.28 83 S C S 64.99 5.10 24.42 29.90 95.95 11.88 60.02 50.90 97.13 2.80 0.06 16.19 71.21 9.57 0.00 0.10 0.00 2.72 0.20 84 L C C 11.61 25.00 11.27 36.31 113.54 -157.55 -74.75 133.84 97.72 2.27 0.01 96.98 0.98 0.02 0.00 0.00 0.00 1.24 0.78 85 T C C 53.35 5.64 25.09 30.62 134.50 -173.02 -126.89 168.45 96.71 3.26 0.03 95.71 0.99 0.02 0.01 0.01 0.00 0.80 2.46 86 S H G 54.56 13.64 16.75 30.23 90.86 -96.42 -60.44 -30.96 8.70 0.09 91.21 0.48 0.78 6.26 0.67 91.74 0.00 0.06 0.01 87 E H G 116.98 5.20 22.63 28.64 90.84 62.68 -70.05 -18.98 7.68 0.13 92.19 0.36 0.64 5.68 0.60 92.60 0.00 0.10 0.01 88 D H G 12.77 21.63 17.83 39.55 94.93 58.46 -89.37 -0.74 8.74 0.23 91.03 2.34 1.44 3.44 0.76 91.84 0.00 0.15 0.03 89 S C C 20.22 18.89 21.92 40.49 116.28 109.58 -77.81 136.19 91.62 7.68 0.69 86.97 4.34 0.51 0.12 0.49 0.00 6.89 0.69 90 A E E 10.06 19.85 24.87 43.71 143.26 153.45 -155.29 169.47 9.74 90.17 0.09 8.71 1.09 0.13 0.03 0.05 0.00 89.14 0.85 91 V E E 21.85 19.23 26.64 45.11 118.88 -105.08 -103.10 131.95 1.28 98.71 0.01 1.20 0.06 0.00 0.00 0.00 0.00 98.68 0.04 92 F E E 4.92 25.50 23.86 49.11 123.05 -163.92 -113.65 137.26 0.61 99.38 0.01 0.56 0.04 0.00 0.00 0.00 0.00 99.38 0.02 93 Y E E 20.31 21.02 27.84 47.73 129.69 -170.46 -125.66 145.85 1.77 98.18 0.05 1.52 0.12 0.02 0.01 0.02 0.00 98.24 0.06 94 C E E 3.83 24.73 25.35 49.37 128.23 -166.21 -126.59 143.74 14.69 84.75 0.56 12.16 1.61 0.44 0.15 0.25 0.00 85.04 0.36 95 A E E 8.94 20.76 24.93 44.96 121.15 -149.68 -102.77 139.64 25.16 72.85 2.00 20.60 3.90 1.49 0.76 1.09 0.00 70.79 1.37 96 R E E 54.47 17.63 22.42 38.98 122.19 -167.11 -116.23 140.01 42.22 53.98 3.80 30.07 10.16 4.82 1.46 2.37 0.04 47.75 3.32 97 G C C 23.13 13.01 20.76 33.43 122.00 -135.11 -112.40 173.28 60.73 33.65 5.62 36.14 17.11 9.79 1.49 3.94 0.05 28.99 2.49 98 G C C 29.60 11.14 17.87 29.12 119.34 56.28 134.89 -171.17 68.84 21.11 10.06 35.22 21.08 14.54 2.41 7.20 0.07 16.44 3.04 99 R C C 131.88 7.08 16.81 24.67 111.43 -68.37 -94.34 118.59 65.86 20.19 13.95 34.24 17.75 15.92 3.92 9.42 0.13 14.15 4.47 100 Y C C 119.27 9.30 13.90 23.84 108.58 -148.40 -89.86 90.42 67.09 16.56 16.36 27.08 19.47 23.08 4.54 10.61 0.21 10.68 4.32 101 H C T 118.57 6.25 13.55 20.92 106.11 47.91 -92.15 56.91 78.91 7.27 13.83 21.77 22.02 36.24 3.69 9.29 0.05 4.49 2.45 102 G C T 46.23 4.86 14.22 20.26 112.08 1.77 93.78 -93.85 86.52 3.18 10.31 21.65 27.00 38.60 2.21 7.44 0.01 1.75 1.34 103 Q C T 119.06 4.82 14.39 20.51 107.57 -39.27 -87.12 76.77 83.93 5.80 10.26 26.99 25.66 32.45 2.49 6.99 0.02 3.26 2.14 104 G C C 36.73 8.19 16.03 24.93 111.89 29.03 95.06 1.03 77.26 13.73 9.01 34.89 22.71 21.21 2.32 6.24 0.04 8.92 3.67 105 F C C 80.30 13.06 16.50 29.48 113.64 55.77 -96.57 124.41 67.71 20.59 11.70 39.07 16.24 13.14 4.17 7.46 0.07 14.71 5.14 106 F C C 61.43 15.58 17.90 33.05 114.32 -155.96 -99.27 126.12 60.85 25.57 13.58 36.21 13.60 11.99 5.68 7.74 0.16 18.90 5.71 107 D C C 52.16 13.82 20.75 34.20 112.29 -137.56 -92.14 115.63 61.68 23.91 14.40 38.84 12.39 11.63 5.72 8.27 0.12 18.78 4.25 108 Y C C 66.28 16.62 20.86 36.32 110.44 -159.70 -97.64 97.00 56.79 28.86 14.35 29.16 14.15 15.39 6.36 7.62 0.37 20.46 6.49 109 W C C 54.94 19.28 20.15 37.88 104.88 52.62 -94.44 18.82 60.84 28.18 10.97 25.58 14.44 22.81 4.59 5.87 0.34 17.41 8.96 110 G C C 21.12 16.10 20.84 35.43 114.35 -138.65 74.73 -152.35 79.32 13.89 6.79 32.03 22.18 26.68 1.79 4.57 0.03 9.61 3.10 111 Q C C 93.67 10.17 22.74 32.43 100.51 -5.83 -85.81 6.73 80.94 13.13 5.93 31.45 27.06 23.94 1.41 4.11 0.02 9.12 2.89 112 G C C 18.27 16.12 19.66 34.71 122.46 -108.08 90.41 172.51 79.32 19.17 1.51 44.79 21.49 12.94 0.22 1.43 0.00 17.66 1.47 113 T E E 22.94 20.38 19.25 38.67 123.33 -100.97 -108.83 139.69 38.29 61.59 0.12 33.72 3.55 0.34 0.02 0.10 0.00 61.33 0.95 114 T E E 62.57 10.17 24.86 35.16 120.04 -141.16 -105.54 131.89 4.49 95.49 0.01 4.03 0.31 0.02 0.00 0.00 0.00 95.42 0.22 115 L E E 12.44 23.96 16.17 40.08 123.00 -167.24 -116.76 133.14 1.43 98.57 0.00 1.37 0.05 0.00 0.00 0.00 0.00 98.53 0.04 116 T E E 59.00 7.68 25.28 33.30 120.56 -161.08 -110.78 133.18 1.70 98.29 0.00 1.63 0.06 0.01 0.00 0.00 0.00 98.20 0.10 117 V E E 22.53 21.55 13.18 34.04 120.25 -158.54 -109.49 132.06 12.07 87.89 0.04 11.06 0.69 0.08 0.01 0.02 0.00 87.34 0.80 118 S C C 54.06 6.47 17.88 25.15 125.37 -166.00 -108.57 157.51 55.57 44.33 0.11 52.89 1.26 0.28 0.02 0.08 0.00 44.34 1.13 119 S C C 76.84 5.56 15.89 22.70 108.73 -97.72 -78.04 126.81 99.69 0.31 0.01 99.58 0.15 0.03 0.00 0.00 0.00 0.22 0.01