# 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 48.27 15.10 20.05 34.90 121.52 -160.33 -110.36 138.35 98.77 1.23 0.00 98.54 0.29 0.03 0.00 0.00 0.00 1.10 0.03 1 Y E E 55.34 14.05 21.39 35.56 130.89 -166.14 -125.31 146.51 6.37 93.63 0.00 6.29 0.12 0.00 0.00 0.00 0.00 93.44 0.13 2 A E E 5.55 21.45 19.43 41.21 128.40 -164.78 -127.40 144.66 0.42 99.58 0.00 0.39 0.00 0.00 0.00 0.00 0.00 99.60 0.00 3 I E E 26.36 13.86 24.78 39.48 116.81 -146.51 -106.09 126.24 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 4 I E E 6.88 23.01 18.40 41.75 122.50 -169.57 -117.11 133.49 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.95 0.00 5 K E E 74.34 8.85 22.72 32.26 115.52 -149.02 -103.00 124.10 1.22 98.78 0.00 0.98 0.05 0.00 0.00 0.00 0.00 98.96 0.01 6 T E E 23.36 18.10 12.52 30.33 119.41 172.97 -132.36 118.39 10.32 89.59 0.09 6.52 2.43 0.88 0.01 0.10 0.00 89.85 0.22 7 G C T 53.23 4.14 15.71 21.01 95.40 -21.36 57.93 33.25 99.24 0.47 0.28 0.49 7.02 91.79 0.00 0.31 0.00 0.34 0.04 8 G C T 63.98 1.21 14.81 15.71 96.58 -43.39 81.59 0.92 99.62 0.18 0.19 0.61 7.61 91.40 0.00 0.22 0.00 0.13 0.02 9 K E E 116.01 3.98 14.66 20.59 125.26 98.94 -110.74 143.54 8.47 91.52 0.01 6.55 1.29 0.07 0.00 0.01 0.00 91.94 0.14 10 Q E E 98.09 9.49 13.98 24.72 119.14 -136.23 -100.94 132.84 1.95 98.05 0.00 1.69 0.05 0.00 0.00 0.00 0.00 98.25 0.01 11 I E E 33.16 15.20 15.32 31.49 125.26 -169.83 -123.40 137.25 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 12 K E E 115.57 5.90 22.96 29.76 115.08 -135.90 -92.57 129.47 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 13 V E E 10.18 23.09 12.13 35.01 127.56 -174.06 -125.58 144.35 1.21 98.79 0.00 1.20 0.02 0.00 0.00 0.00 0.00 98.70 0.07 14 E C C 102.32 3.71 23.25 26.72 124.91 -150.49 -108.57 152.82 57.08 42.89 0.02 56.74 0.61 0.05 0.00 0.01 0.00 41.94 0.64 15 E C T 112.77 9.18 14.13 24.43 109.67 -80.06 -59.39 133.45 99.17 0.65 0.17 0.23 1.71 97.52 0.00 0.11 0.00 0.39 0.05 16 G C T 52.18 2.67 18.22 21.33 95.99 21.55 87.65 -6.12 99.70 0.22 0.09 0.31 1.96 97.50 0.00 0.06 0.00 0.15 0.01 17 Q C C 75.82 8.98 15.32 25.69 120.31 122.16 -81.93 149.01 95.18 4.79 0.03 86.49 8.46 0.15 0.01 0.03 0.00 4.49 0.37 18 T E E 72.66 8.94 18.36 28.27 119.57 -134.15 -102.69 133.51 24.18 75.78 0.03 24.88 0.27 0.03 0.01 0.01 0.00 73.43 1.38 19 V E E 17.25 20.38 14.98 35.32 124.92 -169.32 -122.21 137.74 6.16 93.80 0.04 5.81 0.24 0.03 0.02 0.01 0.00 93.69 0.19 20 Y E E 110.74 7.85 23.19 31.56 117.79 -150.09 -106.52 127.33 4.28 95.66 0.06 4.03 0.20 0.04 0.03 0.02 0.00 95.50 0.17 21 I E E 17.07 21.68 14.26 35.92 119.14 -167.25 -114.77 125.82 13.57 86.00 0.43 13.06 0.59 0.17 0.21 0.18 0.00 85.36 0.43 22 E E E 96.38 5.98 21.80 28.05 118.30 -150.58 -88.29 148.58 42.78 56.08 1.15 27.61 11.62 3.09 0.20 0.98 0.00 56.07 0.43 23 K C C 116.23 9.02 19.11 28.47 108.69 -42.59 -62.46 115.45 61.02 38.03 0.96 45.16 11.94 3.31 0.13 1.01 0.00 37.51 0.93 24 L C C 34.91 18.87 12.46 30.73 116.45 -165.30 -102.02 131.67 69.50 29.88 0.62 63.93 4.17 0.83 0.19 0.48 0.00 26.56 3.82 25 A C C 83.95 2.42 22.50 24.62 103.61 -131.81 -80.69 82.56 90.88 8.86 0.25 75.09 14.21 1.80 0.06 0.25 0.00 7.32 1.27 26 A C C 21.87 17.27 10.89 27.82 132.41 129.51 -128.39 159.44 93.57 6.35 0.09 82.57 11.30 0.37 0.02 0.07 0.00 1.80 3.87 27 E C C 127.82 1.93 21.14 21.99 119.84 -111.21 -88.02 151.54 98.66 1.22 0.12 97.18 1.30 0.27 0.04 0.05 0.00 0.49 0.68 28 A C T 66.01 9.30 12.73 23.20 109.31 -83.91 -59.05 134.12 99.54 0.27 0.19 0.31 2.15 97.22 0.01 0.12 0.00 0.14 0.06 29 G C T 52.27 2.57 17.48 20.50 95.61 22.22 87.89 -5.90 99.78 0.13 0.09 0.46 2.05 97.32 0.00 0.07 0.00 0.09 0.01 30 E C C 79.67 8.06 15.04 24.78 120.26 124.73 -80.10 149.00 94.80 5.18 0.02 91.07 3.45 0.11 0.00 0.02 0.00 5.11 0.23 31 T E E 74.10 8.59 18.12 27.90 121.11 -139.22 -107.52 137.80 7.56 92.43 0.01 7.67 0.17 0.01 0.00 0.00 0.00 91.57 0.57 32 V E E 15.06 20.58 14.96 35.62 125.64 -167.27 -122.25 140.35 0.69 99.31 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.30 0.02 33 T E E 63.72 7.73 24.19 32.43 119.43 -153.72 -109.23 130.28 0.95 99.05 0.00 0.90 0.02 0.00 0.00 0.00 0.00 99.06 0.03 34 F E E 13.54 23.30 13.54 36.88 119.75 -163.44 -109.19 129.83 5.88 94.10 0.02 5.62 0.19 0.02 0.00 0.01 0.00 93.99 0.17 35 E E E 104.90 5.34 23.38 29.08 99.56 -160.65 -87.14 -29.28 22.32 77.56 0.12 12.18 9.44 0.67 0.01 0.11 0.00 77.47 0.12 36 D E E 55.96 9.67 23.59 33.49 129.60 15.96 -136.37 139.39 17.94 81.93 0.14 11.73 5.21 0.44 0.02 0.09 0.00 82.40 0.10 37 V E E 7.63 24.30 18.24 42.67 121.96 -159.85 -115.22 131.69 4.19 95.77 0.04 4.02 0.20 0.02 0.01 0.01 0.00 95.63 0.10 38 L E E 16.88 17.18 25.09 42.35 120.18 -157.91 -110.13 131.50 0.68 99.31 0.00 0.63 0.04 0.00 0.00 0.00 0.00 99.30 0.03 39 F E E 27.52 19.19 23.49 42.15 119.61 -158.89 -108.65 129.74 0.57 99.43 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.03 40 V E E 19.71 17.63 20.53 38.34 122.50 -169.48 -119.67 130.71 5.41 94.57 0.02 4.47 0.54 0.06 0.00 0.01 0.00 94.73 0.18 41 G E E 20.47 13.30 18.25 31.71 137.45 156.66 -149.29 170.57 49.06 50.76 0.18 32.47 13.41 2.27 0.02 0.19 0.00 51.17 0.47 42 G C S 36.76 6.98 17.24 25.07 125.24 59.12 118.76 -155.71 89.65 9.32 1.03 24.82 43.74 21.05 0.08 1.16 0.00 8.31 0.83 43 D C S 122.92 1.66 16.41 18.11 97.80 -28.82 -83.46 -10.66 96.36 1.80 1.84 17.86 44.60 33.92 0.20 1.77 0.00 1.25 0.40 44 N C C 100.20 3.98 17.38 22.35 120.66 23.78 -121.91 136.48 85.40 13.37 1.24 39.72 24.95 20.54 0.18 1.21 0.00 12.65 0.75 45 V E E 47.40 17.95 11.83 29.06 119.45 -146.01 -107.65 130.85 42.15 57.51 0.33 37.49 2.87 0.58 0.10 0.19 0.00 58.04 0.73 46 K E E 101.31 7.08 21.00 29.13 123.58 -169.45 -119.84 134.28 10.55 89.24 0.21 9.42 0.86 0.18 0.14 0.09 0.00 87.64 1.67 47 V E E 58.28 15.36 14.57 29.75 120.50 -163.22 -115.52 130.94 14.20 85.48 0.32 11.77 1.97 0.56 0.20 0.17 0.00 83.51 1.83 48 G C S 34.82 6.44 19.26 26.11 124.35 25.21 104.03 -164.77 76.56 23.29 0.15 28.60 43.42 3.91 0.02 0.15 0.00 23.27 0.63 49 N C S 101.71 4.79 20.05 25.62 113.61 -30.37 -90.06 130.74 91.61 8.30 0.09 32.88 57.14 1.64 0.01 0.09 0.00 7.68 0.56 50 P C C 45.38 17.98 14.31 31.31 103.36 -129.92 -70.62 105.55 89.60 10.04 0.35 53.71 31.57 4.35 0.05 0.40 0.00 9.08 0.85 51 T C C 63.68 9.18 22.29 31.59 119.42 53.23 -107.69 129.02 49.99 49.47 0.54 38.14 9.08 2.36 0.17 0.49 0.00 36.11 13.65 52 V C C 16.32 22.85 12.98 35.22 115.67 -170.76 -113.46 115.86 49.85 49.71 0.43 43.46 4.38 0.77 0.16 0.36 0.00 43.13 7.75 53 E C T 133.02 3.10 21.26 25.18 112.85 -137.23 -76.91 133.29 64.91 34.49 0.60 13.28 16.69 36.73 0.07 0.54 0.00 31.11 1.58 54 G C T 47.26 3.89 20.83 25.01 96.94 15.43 82.69 0.08 80.82 18.92 0.27 7.82 31.86 39.63 0.01 0.29 0.00 20.01 0.36 55 A C C 11.16 22.11 11.93 33.52 120.39 144.69 -86.86 146.88 74.32 25.64 0.04 69.18 2.98 0.14 0.00 0.03 0.00 27.40 0.27 56 T E E 55.81 7.93 26.25 34.78 122.59 -157.02 -118.36 135.91 2.87 97.12 0.00 2.79 0.10 0.00 0.00 0.00 0.00 96.96 0.14 57 V E E 4.98 25.83 16.47 42.90 123.95 -167.22 -120.10 133.48 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 58 T E E 41.04 8.77 27.34 37.05 121.33 -165.20 -115.40 132.99 0.17 99.83 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 59 A E E 4.76 25.52 15.78 41.54 129.47 -174.08 -126.87 147.76 0.30 99.70 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 60 K E E 86.64 6.55 26.86 34.14 123.03 -160.37 -121.07 134.55 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 61 V E E 21.99 21.46 14.03 35.54 110.09 -122.00 -79.22 122.44 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 62 E E E 88.98 5.70 20.59 27.18 100.19 176.38 -93.02 -34.71 6.96 93.02 0.02 3.43 2.83 0.23 0.00 0.01 0.00 93.46 0.04 63 K E E 100.91 4.19 22.35 27.15 137.76 0.23 -151.01 151.26 9.55 90.43 0.02 3.67 5.02 0.39 0.00 0.02 0.00 90.81 0.09 64 Q E E 81.62 15.87 14.00 29.08 121.84 -148.16 -111.57 133.59 18.26 81.65 0.09 15.01 2.42 0.31 0.01 0.07 0.00 81.95 0.23 65 G E E 22.36 9.14 17.60 27.72 136.10 152.43 -140.25 175.30 27.99 71.90 0.12 23.76 3.26 0.38 0.03 0.08 0.00 71.86 0.63 66 R E E 150.15 4.94 17.07 23.63 118.70 -87.93 -101.11 136.13 26.29 73.58 0.13 21.96 3.99 0.36 0.04 0.09 0.00 71.09 2.46 67 A E E 35.78 13.86 11.54 25.67 125.28 -154.69 -108.01 152.46 43.65 56.03 0.31 35.27 7.16 0.70 0.08 0.24 0.00 55.62 0.93 68 K E E 125.12 4.56 17.90 23.41 114.88 -107.02 -82.61 143.05 43.81 55.69 0.50 34.94 7.02 0.79 0.12 0.33 0.00 56.30 0.50 69 K E E 102.46 9.12 14.38 24.48 116.44 -111.42 -84.20 137.46 28.53 70.74 0.73 24.86 2.68 0.54 0.28 0.42 0.00 70.67 0.55 70 I E E 53.68 11.90 13.41 26.71 119.78 -147.09 -109.44 131.70 6.94 92.37 0.68 6.50 0.46 0.18 0.44 0.28 0.00 91.72 0.43 71 T E E 57.31 7.44 16.60 25.75 117.67 -152.21 -104.46 129.54 3.87 95.69 0.44 3.61 0.21 0.07 0.25 0.14 0.00 95.56 0.15 72 V E E 49.02 10.76 13.68 26.15 120.00 -162.96 -111.86 130.90 4.65 94.99 0.37 4.18 0.30 0.09 0.15 0.13 0.00 95.02 0.13 73 H E E 83.73 7.28 14.57 23.65 122.38 -168.82 -115.78 138.69 8.24 91.36 0.40 7.25 0.73 0.21 0.15 0.17 0.00 91.19 0.30 74 R E E 120.53 6.45 13.50 21.63 120.67 -154.50 -110.27 133.72 22.71 76.79 0.50 18.23 3.92 0.77 0.16 0.29 0.00 76.11 0.51 75 Y E E 114.97 6.60 10.26 18.74 116.66 -147.44 -101.28 133.21 48.59 50.83 0.58 36.97 10.22 1.51 0.16 0.44 0.00 49.49 1.20 76 K C C 118.72 3.67 9.92 15.38 116.70 -140.87 -96.31 136.85 77.35 19.96 2.68 51.24 19.75 6.03 0.63 2.13 0.00 18.84 1.39 77 P C T 105.08 2.28 8.71 12.42 102.10 -111.20 -66.80 -11.54 82.39 3.97 13.64 24.79 24.52 33.74 2.46 10.78 0.01 2.84 0.86 78 K C T 165.19 0.91 8.88 10.04 105.52 49.00 -91.41 30.64 80.21 4.15 15.64 25.82 22.40 32.78 2.71 12.49 0.01 2.67 1.11 79 K C T 147.95 1.85 8.60 11.72 108.15 37.63 -97.08 71.88 80.96 4.81 14.23 18.74 23.82 39.27 2.45 11.28 0.01 3.27 1.16 80 N C T 117.56 2.41 9.67 13.49 103.11 -120.24 -82.59 57.24 82.71 10.32 6.97 27.04 20.47 35.80 1.38 5.50 0.01 8.74 1.05 81 V C C 78.44 6.53 8.70 16.99 120.20 154.91 -106.32 137.21 56.87 39.39 3.74 44.05 8.70 3.93 1.38 2.54 0.01 36.17 3.23 82 A E E 64.73 4.98 11.33 18.15 120.13 -163.04 -108.97 139.19 44.59 52.90 2.51 36.62 5.26 2.60 0.86 1.52 0.00 51.72 1.42 83 K E E 118.89 6.46 11.48 19.79 120.79 -156.55 -110.27 135.28 38.70 59.68 1.62 32.08 4.64 1.72 0.53 0.99 0.00 59.27 0.78 84 K E E 110.95 7.45 12.53 21.54 120.51 -160.74 -110.86 137.10 32.11 66.53 1.36 25.89 4.37 1.49 0.42 0.82 0.00 66.33 0.68 85 Q E E 110.54 5.74 14.36 21.89 121.61 -159.34 -111.05 137.86 26.36 72.82 0.81 20.19 4.32 1.30 0.22 0.50 0.00 72.78 0.68 86 G E E 27.10 10.46 12.74 23.98 132.99 150.57 -134.46 171.32 20.17 79.38 0.45 16.02 3.48 0.63 0.16 0.28 0.00 78.80 0.63 87 H E E 104.35 7.07 16.29 24.60 123.55 -116.27 -114.66 142.52 15.96 83.81 0.23 14.33 1.32 0.26 0.10 0.15 0.00 80.98 2.86 88 R E E 105.55 11.66 13.80 26.04 119.58 -135.55 -98.67 138.17 40.21 59.68 0.11 35.95 3.62 0.33 0.04 0.09 0.00 57.30 2.66 89 Q C C 79.85 9.76 16.46 27.11 116.88 -128.70 -90.15 136.17 73.67 26.32 0.02 67.98 4.73 0.13 0.00 0.02 0.00 26.67 0.47 90 P C C 59.45 10.76 17.02 28.35 112.01 -114.44 -69.58 143.89 71.52 28.45 0.03 64.50 4.76 0.21 0.00 0.03 0.00 30.14 0.35 91 Y E E 69.74 13.22 17.64 31.27 132.52 -161.40 -131.21 152.52 15.40 84.58 0.02 13.97 1.12 0.08 0.00 0.02 0.00 84.01 0.79 92 T E E 28.54 16.34 17.49 34.26 123.89 -139.89 -113.19 139.34 4.96 95.04 0.00 4.66 0.17 0.01 0.00 0.00 0.00 95.03 0.13 93 K E E 73.92 11.24 22.55 34.04 123.53 -159.85 -116.70 137.71 2.73 97.27 0.00 2.36 0.17 0.01 0.00 0.00 0.00 97.43 0.03 94 V E E 16.92 21.54 17.11 38.67 119.65 -149.89 -109.74 128.21 1.69 98.31 0.00 1.58 0.03 0.00 0.00 0.00 0.00 98.38 0.01 95 T E E 44.17 8.48 24.37 33.59 119.19 -161.13 -112.35 129.21 0.74 99.26 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.28 0.01 96 I E E 23.42 20.79 13.05 33.85 111.99 -140.40 -92.83 120.92 0.90 99.10 0.00 0.87 0.01 0.00 0.00 0.00 0.00 99.09 0.02 97 E E E 104.67 4.32 20.24 25.12 100.48 177.99 -93.05 -34.13 5.62 94.36 0.02 3.54 1.40 0.11 0.00 0.01 0.00 94.91 0.02 98 K E E 109.20 3.47 22.10 25.96 136.69 0.07 -152.98 152.11 6.00 93.97 0.04 4.29 1.11 0.14 0.00 0.03 0.00 94.38 0.04 99 I E E 44.47 20.33 10.36 29.38 120.30 -151.49 -117.71 127.39 7.20 92.78 0.02 6.72 0.35 0.04 0.00 0.01 0.00 92.29 0.58 100 N E E 88.71 4.48 17.77 23.07 120.72 -169.25 -114.55 134.64 30.53 69.41 0.06 28.93 0.83 0.19 0.02 0.04 0.00 69.08 0.91 101 A C C 69.33 7.90 13.89 22.63 107.13 -121.05 -79.26 112.52 99.58 0.42 0.00 99.55 0.10 0.01 0.00 0.00 0.00 0.33 0.01