# 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 95.23 9.27 15.62 25.54 114.41 -153.10 -90.71 128.37 99.83 0.17 0.00 99.84 0.05 0.01 0.00 0.00 0.00 0.10 0.01 1 R C C 102.80 10.57 15.35 26.58 119.16 -156.90 -102.19 134.86 66.10 33.80 0.10 64.66 0.70 0.26 0.02 0.06 0.00 33.32 0.98 2 H E E 75.60 11.36 18.14 30.00 122.26 -156.00 -109.31 138.79 30.87 69.03 0.09 27.09 2.63 0.29 0.02 0.08 0.00 69.24 0.65 3 Y E E 24.06 19.61 16.93 36.64 129.43 -168.81 -126.54 145.95 9.23 90.74 0.02 8.64 0.44 0.03 0.00 0.01 0.00 90.64 0.24 4 E E E 45.86 13.57 24.23 37.99 123.29 -151.29 -115.81 134.74 3.57 96.42 0.01 3.24 0.20 0.01 0.00 0.00 0.00 96.49 0.05 5 I E E 7.75 23.33 21.32 44.60 122.00 -163.04 -116.35 131.32 1.92 98.07 0.00 1.81 0.06 0.00 0.00 0.00 0.00 98.10 0.02 6 V E E 15.12 18.54 25.97 44.21 120.06 -163.32 -113.89 129.03 0.97 99.03 0.00 0.88 0.04 0.00 0.00 0.00 0.00 99.08 0.01 7 F E E 6.04 24.63 24.65 48.69 125.13 -169.37 -120.35 135.72 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.00 8 M E E 16.92 19.83 27.45 46.67 116.28 -155.96 -104.91 125.30 0.27 99.73 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.01 9 V E E 4.33 24.16 20.96 45.18 131.08 174.91 -130.57 149.55 3.93 96.07 0.00 3.90 0.10 0.00 0.00 0.00 0.00 95.72 0.29 10 H C C 45.78 12.29 22.64 35.52 111.07 -114.01 -78.44 130.49 88.05 11.93 0.02 87.37 0.77 0.03 0.00 0.01 0.00 11.66 0.15 11 P H G 43.38 15.10 15.34 30.81 93.45 -127.98 -61.90 -29.34 36.04 1.37 62.59 9.86 5.36 20.07 3.74 59.74 0.00 1.01 0.21 12 D H G 111.04 2.06 19.94 21.69 92.59 61.99 -76.30 -10.02 40.39 0.53 59.08 7.61 5.97 24.49 4.21 57.25 0.00 0.30 0.17 13 Q H G 58.78 12.71 12.86 26.14 99.32 59.92 -100.65 12.05 45.95 0.56 53.50 24.89 7.63 9.98 4.65 52.37 0.00 0.29 0.20 14 S H G 52.50 12.97 12.43 25.35 94.51 115.58 -63.27 -35.63 39.71 0.41 59.89 18.07 6.11 14.49 9.48 51.48 0.00 0.20 0.17 15 E H G 155.93 1.06 18.17 17.71 92.37 58.03 -71.48 -23.66 40.00 0.21 59.79 4.61 5.22 28.11 9.44 52.39 0.01 0.10 0.12 16 Q H G 92.87 7.67 16.39 24.81 97.47 49.03 -89.92 -10.58 36.58 0.23 63.19 7.00 4.45 23.61 15.39 49.31 0.01 0.12 0.12 17 V H H 13.60 22.74 11.76 33.54 93.79 79.33 -65.13 -42.32 6.92 0.02 93.05 3.47 1.70 1.81 92.08 0.93 0.00 0.01 0.01 18 P H H 72.82 6.58 20.13 27.42 91.97 53.65 -62.01 -40.18 2.77 0.01 97.22 0.63 0.19 1.67 96.32 1.18 0.00 0.00 0.00 19 G H H 33.71 2.91 22.43 24.66 91.97 50.22 -63.56 -40.00 1.80 0.01 98.18 0.40 0.14 1.12 97.05 1.29 0.00 0.01 0.00 20 M H H 20.83 17.59 18.86 36.49 92.08 51.15 -64.81 -42.84 0.58 0.00 99.42 0.17 0.05 0.27 99.16 0.35 0.00 0.00 0.00 21 I H H 14.75 22.09 17.90 39.50 91.56 50.62 -63.28 -42.78 0.19 0.00 99.81 0.04 0.01 0.09 99.82 0.04 0.00 0.00 0.00 22 E H H 117.74 3.20 23.78 27.16 91.34 51.10 -63.60 -41.06 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 23 R H H 116.12 5.43 23.45 29.14 91.81 49.50 -64.85 -41.87 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 24 Y H H 7.82 24.39 18.69 42.85 92.02 48.06 -64.94 -42.35 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 25 T H H 33.50 17.40 20.46 36.88 91.49 52.12 -62.42 -41.98 0.28 0.00 99.72 0.03 0.01 0.16 99.79 0.02 0.00 0.00 0.00 26 A H H 60.94 2.31 25.44 26.11 91.38 51.39 -63.82 -41.47 0.80 0.00 99.20 0.08 0.04 0.52 99.30 0.05 0.00 0.00 0.00 27 A H H 23.01 12.11 20.76 33.70 91.83 50.24 -64.98 -42.54 1.28 0.01 98.71 0.18 0.12 0.83 98.74 0.12 0.00 0.01 0.00 28 I H H 3.72 25.68 14.45 40.50 92.39 48.27 -65.68 -41.78 2.41 0.08 97.50 0.48 0.29 1.58 97.30 0.28 0.01 0.04 0.02 29 T H H 76.87 7.90 19.65 28.10 92.78 51.13 -64.89 -39.62 5.00 0.11 94.89 0.80 0.44 3.65 94.47 0.54 0.02 0.05 0.03 30 G H H 56.83 1.51 20.51 21.02 92.74 52.65 -67.43 -27.07 18.96 0.10 80.94 0.75 1.06 17.34 79.92 0.78 0.05 0.04 0.05 31 A C T 30.86 14.74 13.98 28.94 96.69 52.05 -90.25 1.05 84.96 0.08 14.96 0.50 3.12 80.58 14.77 0.91 0.00 0.03 0.08 32 E C T 140.05 2.57 22.36 24.95 95.81 -106.49 66.90 28.27 92.48 0.11 7.40 1.46 3.95 86.74 7.27 0.47 0.00 0.06 0.05 33 G C C 9.18 21.84 10.26 30.90 125.51 138.27 -90.89 166.41 86.01 13.89 0.10 75.96 7.54 0.67 0.02 0.08 0.00 15.42 0.31 34 K E E 115.06 3.45 25.04 28.73 123.58 -134.89 -120.23 139.38 13.33 86.62 0.05 12.44 0.65 0.06 0.02 0.02 0.00 86.46 0.34 35 I E E 49.34 20.19 12.74 32.18 110.58 -122.94 -81.97 122.17 0.91 99.08 0.01 0.92 0.02 0.00 0.00 0.00 0.00 99.02 0.04 36 H E E 96.15 5.86 19.14 26.17 101.75 176.04 -93.31 -35.47 1.87 98.13 0.01 1.28 0.31 0.02 0.00 0.00 0.00 98.38 0.01 37 R E E 114.01 4.21 22.59 27.56 138.64 -3.06 -154.48 149.80 0.97 99.03 0.00 0.68 0.11 0.01 0.00 0.00 0.00 99.20 0.00 38 L E E 56.15 20.60 11.55 30.59 123.91 -162.10 -128.39 129.03 1.04 98.96 0.01 0.90 0.04 0.00 0.00 0.00 0.00 99.04 0.01 39 E E E 93.27 5.24 20.66 26.69 124.45 -171.32 -122.99 138.49 3.35 96.63 0.01 2.64 0.36 0.03 0.00 0.01 0.00 96.93 0.03 40 D E E 88.21 8.08 15.92 25.27 110.51 -123.74 -82.92 120.83 10.38 89.60 0.02 8.85 0.68 0.05 0.00 0.02 0.00 90.35 0.06 41 W E E 95.66 12.33 13.65 26.67 99.99 174.11 -101.46 -1.31 15.77 84.07 0.16 12.91 1.81 0.39 0.04 0.10 0.00 84.57 0.18 42 G E E 28.24 4.26 19.04 24.25 128.63 -119.43 96.66 -168.56 9.04 90.83 0.12 4.83 3.52 0.65 0.02 0.08 0.00 90.78 0.12 43 R E E 141.24 7.24 15.16 23.94 118.21 -40.99 -93.28 135.20 3.94 95.92 0.13 3.24 0.44 0.09 0.05 0.05 0.00 96.07 0.07 44 R E E 90.67 10.21 14.50 26.06 130.59 -177.24 -134.15 147.81 1.88 98.00 0.11 1.64 0.15 0.05 0.05 0.03 0.00 98.01 0.07 45 Q E E 121.52 3.68 17.69 22.74 114.64 -119.29 -85.83 132.49 3.47 96.43 0.10 3.22 0.19 0.05 0.05 0.03 0.00 96.28 0.18 46 L E E 36.61 17.62 8.77 25.62 114.51 -130.07 -82.84 137.05 41.47 58.35 0.18 38.67 1.53 0.17 0.07 0.08 0.00 59.02 0.46 47 A C S 77.07 3.01 16.19 20.02 95.26 -147.10 -74.26 -26.36 75.42 24.49 0.08 21.60 50.75 1.77 0.01 0.08 0.00 25.42 0.37 48 Y C S 120.63 4.23 14.69 20.25 126.28 37.55 -125.93 143.04 72.73 27.20 0.07 7.20 63.20 1.84 0.01 0.06 0.00 27.17 0.52 49 P C C 88.04 4.90 13.58 20.03 113.67 -101.30 -66.41 141.39 67.81 31.80 0.39 59.68 5.52 1.13 0.09 0.31 0.00 31.51 1.76 50 I C C 55.34 13.10 8.42 21.68 118.90 -171.14 -122.14 125.73 55.93 42.68 1.39 46.32 5.98 2.08 0.61 0.93 0.01 27.79 16.29 51 N C T 130.35 1.69 14.03 16.06 98.05 -23.61 51.86 39.41 93.33 3.28 3.38 12.47 34.52 46.62 0.33 2.98 0.00 2.41 0.67 52 K C T 162.07 1.89 14.52 16.95 96.76 -40.87 55.50 10.33 93.10 3.89 3.01 11.07 35.79 46.45 0.23 2.87 0.00 2.95 0.64 53 L E E 59.41 11.41 11.40 23.84 120.29 105.51 -107.78 132.05 38.97 60.29 0.74 29.77 7.09 2.49 0.17 0.67 0.00 55.80 4.01 54 H E E 83.54 9.18 16.67 26.90 114.65 -172.85 -107.07 130.59 30.50 69.38 0.12 20.41 8.69 1.13 0.02 0.10 0.00 68.98 0.66 55 K E E 84.57 9.24 21.46 30.92 128.69 17.87 -129.12 139.41 13.30 86.64 0.07 9.50 3.10 0.62 0.01 0.06 0.00 86.33 0.38 56 A E E 8.65 20.89 16.19 37.16 133.56 -174.20 -136.30 154.39 6.65 93.32 0.03 5.69 0.72 0.07 0.01 0.02 0.00 93.37 0.12 57 H E E 34.31 13.59 22.88 37.33 123.16 -145.46 -114.13 137.54 1.63 98.35 0.02 1.48 0.19 0.02 0.01 0.01 0.00 98.23 0.06 58 Y E E 34.05 17.58 21.16 38.65 121.78 -158.40 -111.48 132.16 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.01 59 V E E 13.98 18.20 21.25 40.03 122.10 -166.94 -118.05 130.99 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 60 L E E 31.35 14.82 23.46 38.60 119.24 -162.94 -111.72 127.14 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 61 M E E 17.32 20.01 20.48 40.54 123.49 -169.61 -118.26 134.94 0.36 99.63 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 62 N E E 46.82 11.89 24.86 37.07 118.09 -158.33 -107.28 127.48 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 63 V E E 9.75 22.41 17.54 40.07 127.40 -174.10 -127.70 140.68 0.54 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.46 0.03 64 E E E 86.26 8.41 25.37 34.20 116.77 -150.44 -106.81 124.84 5.11 94.88 0.01 4.27 0.64 0.03 0.00 0.00 0.00 94.87 0.18 65 A E E 10.84 19.68 15.09 35.03 138.69 149.19 -146.61 162.25 49.91 50.04 0.05 39.76 8.99 0.15 0.02 0.03 0.00 50.67 0.38 66 P C C 52.38 5.97 20.61 27.49 113.17 -88.53 -64.16 146.94 80.83 18.87 0.31 77.52 2.39 0.25 0.18 0.10 0.00 18.96 0.61 67 Q H H 102.63 9.05 14.37 24.56 91.69 -113.15 -58.61 -36.21 10.06 0.10 89.84 1.94 2.02 6.08 85.05 4.76 0.06 0.05 0.05 68 E H H 132.87 1.47 20.08 20.23 91.20 58.37 -65.01 -34.54 6.79 0.09 93.13 1.35 0.94 4.33 88.33 4.92 0.04 0.05 0.03 69 V H H 25.76 13.88 16.21 30.98 93.54 48.46 -71.32 -38.67 3.60 0.09 96.31 1.32 0.49 1.86 91.69 4.55 0.01 0.07 0.02 70 I H H 18.59 20.44 14.50 34.65 91.56 55.23 -62.25 -43.67 1.31 0.02 98.67 0.50 0.16 0.61 97.60 1.12 0.00 0.01 0.00 71 D H H 85.89 2.88 22.00 24.41 91.69 51.01 -64.08 -40.46 1.61 0.01 98.37 0.43 0.14 0.94 97.63 0.86 0.00 0.01 0.00 72 E H H 95.05 4.23 21.17 25.51 91.85 49.87 -65.10 -40.77 1.98 0.01 98.01 0.36 0.15 1.31 97.34 0.82 0.00 0.01 0.00 73 L H H 9.10 22.19 15.01 37.34 92.23 50.48 -64.57 -42.52 2.77 0.03 97.20 0.69 0.28 1.70 96.07 1.24 0.01 0.02 0.01 74 E H H 74.39 13.14 18.17 31.02 91.54 52.46 -62.58 -40.52 6.52 0.07 93.41 1.36 0.56 4.34 91.73 1.93 0.01 0.04 0.02 75 T H H 84.23 1.79 21.20 21.24 92.66 49.73 -66.92 -39.97 15.51 0.12 84.37 1.92 1.33 11.96 81.47 3.16 0.04 0.06 0.05 76 T H H 49.26 9.47 17.58 27.98 93.49 49.02 -70.99 -35.87 22.84 0.30 76.86 3.64 2.62 16.46 73.21 3.71 0.06 0.16 0.13 77 F H H 25.37 20.40 12.11 31.83 97.51 52.28 -83.82 -18.38 41.19 4.51 54.30 18.46 6.71 17.40 46.72 6.30 0.16 2.84 1.42 78 R C H 132.84 6.65 16.71 24.45 96.34 80.59 -68.85 -26.12 56.75 6.90 36.34 25.85 6.29 23.29 32.34 5.51 0.11 4.85 1.76 79 F C C 131.12 4.82 15.14 20.87 99.31 56.97 -85.39 -5.98 63.77 7.21 29.02 26.24 12.67 24.64 23.85 5.84 0.17 4.45 2.15 80 N C C 65.73 10.02 11.96 23.05 111.78 86.90 -99.77 109.32 81.45 4.31 14.24 55.02 16.78 8.44 12.95 2.88 0.00 2.49 1.45 81 D C H 104.52 4.69 14.14 20.54 95.74 -156.31 -69.03 -16.45 54.03 1.53 44.44 13.65 12.18 28.16 35.15 9.22 0.13 0.94 0.58 82 A H H 58.38 6.55 15.22 23.00 95.35 71.11 -74.43 -22.79 47.78 3.57 48.65 11.92 9.25 26.55 38.21 10.17 0.29 2.74 0.87 83 V H H 38.49 15.84 13.24 28.86 101.83 53.68 -87.96 -19.36 35.41 19.05 45.55 14.32 7.64 14.44 35.02 9.05 0.58 16.73 2.21 84 I E E 66.42 13.06 14.52 27.72 108.27 70.47 -88.73 95.19 25.81 37.17 37.02 15.50 5.02 5.48 32.64 5.00 0.13 33.86 2.37 85 R E E 137.52 5.81 16.52 23.36 105.52 76.69 -87.55 29.45 29.19 39.54 31.27 19.33 4.27 4.64 26.50 5.21 0.05 38.59 1.40 86 S E E 56.47 10.21 15.02 25.74 110.78 67.30 -94.99 89.88 34.10 38.73 27.17 20.10 6.63 6.99 21.02 6.16 0.09 37.81 1.20 87 M E E 80.29 11.72 15.77 27.73 109.89 55.19 -101.39 77.84 30.13 47.66 22.22 20.06 4.67 5.23 16.73 5.13 0.03 47.06 1.10 88 V E E 64.26 13.62 14.53 28.29 119.74 76.89 -107.49 130.17 25.20 63.13 11.68 19.92 2.33 1.64 10.96 1.72 0.00 61.94 1.49 89 M E E 80.95 9.71 16.75 27.57 124.03 -170.57 -118.99 138.40 21.95 70.38 7.66 18.40 1.77 0.99 7.63 1.08 0.00 68.45 1.68 90 R E E 137.41 7.05 16.65 25.23 116.49 -140.51 -97.67 129.59 30.67 62.26 7.07 25.75 2.61 1.25 6.44 1.28 0.00 61.13 1.53 91 T C C 41.87 14.43 10.97 25.61 120.78 -164.30 -110.08 140.86 63.17 26.15 10.67 54.26 4.78 2.63 7.77 2.73 0.00 26.47 1.37 92 K C C 150.81 2.63 16.50 19.76 99.49 -147.81 -79.55 -19.69 70.62 9.61 19.76 36.71 21.43 13.31 12.33 7.08 0.05 7.74 1.34 93 H C C 114.17 5.40 15.35 21.76 115.00 36.23 -110.48 115.11 70.64 6.91 22.45 36.18 20.23 15.25 13.21 8.77 0.09 4.77 1.50 94 A C C 45.20 11.94 13.08 25.47 111.54 -142.79 -86.58 131.13 68.48 8.06 23.47 51.78 9.52 7.33 14.71 8.69 0.01 6.42 1.54 95 V C C 64.46 11.49 12.76 24.80 111.40 -150.61 -93.64 116.77 69.62 9.80 20.59 52.16 10.38 6.60 15.35 5.93 0.02 7.31 2.25 96 T C C 85.82 5.75 14.54 21.51 109.22 143.74 -97.80 62.01 73.19 9.33 17.48 51.65 13.37 7.59 13.31 5.05 0.03 6.75 2.23 97 E C C 125.59 3.95 14.37 19.71 115.88 53.68 -95.80 136.10 79.89 7.08 13.03 54.99 17.28 7.29 9.88 3.82 0.01 4.89 1.83 98 A C C 62.42 8.33 11.49 20.93 113.68 -111.62 -76.79 142.25 86.39 4.23 9.38 65.69 13.71 6.59 6.66 3.14 0.00 2.52 1.68 99 S C C 45.56 8.96 10.38 20.74 115.81 -130.24 -91.35 141.35 93.13 1.50 5.37 78.15 11.99 3.07 3.34 1.94 0.00 0.77 0.75 100 P C T 95.74 3.57 12.46 17.39 94.97 -121.90 -64.93 -22.86 69.78 1.29 28.93 26.16 12.61 31.74 9.34 18.84 0.00 0.71 0.58 101 M C T 113.68 5.14 10.82 17.34 99.48 60.91 -77.94 -14.30 67.83 2.82 29.36 23.11 12.50 33.57 9.48 18.52 0.03 1.60 1.19 102 V C C 75.03 8.94 8.28 18.04 106.62 65.50 -89.46 63.41 71.00 4.07 24.93 53.07 4.40 14.67 8.88 14.69 0.00 2.65 1.64 103 K C C 147.33 2.82 13.43 17.72 106.79 116.31 -85.65 96.04 99.76 0.12 0.12 99.52 0.15 0.18 0.06 0.01 0.00 0.07 0.02