# 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 Q C C 114.14 5.52 19.88 26.27 117.17 -158.97 -97.20 130.55 99.66 0.34 0.00 99.66 0.07 0.02 0.00 0.00 0.00 0.25 0.01 1 A C C 29.51 17.37 13.33 30.19 128.26 -168.69 -117.44 146.20 59.90 39.91 0.18 58.31 0.61 0.28 0.04 0.08 0.00 40.09 0.59 2 K E E 99.58 8.39 21.40 30.53 127.76 -168.28 -127.16 143.15 21.43 78.35 0.22 18.63 2.30 0.36 0.07 0.12 0.00 77.81 0.71 3 A E E 18.39 20.95 15.71 36.04 130.02 -168.99 -128.88 144.02 9.77 90.11 0.12 8.88 0.69 0.11 0.04 0.04 0.00 89.91 0.32 4 V E E 56.10 10.32 23.54 34.23 126.62 -166.75 -128.18 137.20 6.42 93.50 0.08 5.95 0.42 0.06 0.03 0.03 0.00 93.19 0.31 5 A E E 20.70 19.98 15.26 34.70 118.25 -149.02 -102.66 132.33 11.89 87.84 0.27 11.41 0.59 0.13 0.09 0.10 0.00 87.35 0.32 6 R E E 124.43 6.94 21.45 28.94 102.36 -168.13 -96.62 -30.07 24.72 74.99 0.28 12.46 11.27 1.35 0.04 0.21 0.00 74.42 0.24 7 T E E 68.35 8.53 21.85 30.51 128.47 9.31 -143.17 133.03 16.34 83.42 0.24 12.10 3.57 0.72 0.04 0.17 0.00 83.12 0.28 8 V E E 17.90 22.20 15.09 36.94 122.12 -174.63 -120.39 129.17 15.35 84.49 0.16 14.51 0.94 0.14 0.06 0.08 0.00 83.30 0.96 9 R E E 125.57 6.65 24.90 32.03 112.69 -148.99 -96.81 122.00 40.55 59.36 0.10 33.51 6.09 0.28 0.04 0.06 0.00 59.24 0.79 10 I C C 14.13 22.97 13.82 36.57 130.49 168.71 -129.10 148.36 75.42 24.49 0.09 68.26 8.20 0.14 0.06 0.05 0.00 20.40 2.88 11 A C C 38.79 6.55 22.24 29.47 115.60 -105.84 -69.79 149.46 99.65 0.29 0.07 99.46 0.27 0.03 0.04 0.00 0.00 0.17 0.03 12 P H H 53.77 14.91 15.37 30.30 91.83 -115.54 -57.84 -38.01 3.47 0.01 96.52 0.71 0.37 2.11 95.63 1.16 0.00 0.00 0.00 13 R H H 148.19 2.68 22.30 25.00 91.81 54.00 -63.78 -39.47 1.62 0.01 98.37 0.22 0.13 1.11 97.30 1.23 0.00 0.00 0.00 14 K H H 69.93 12.17 21.11 33.05 92.17 48.25 -66.93 -38.56 1.00 0.01 98.99 0.25 0.09 0.55 97.81 1.29 0.00 0.01 0.00 15 A H H 2.04 26.15 16.00 42.70 91.04 52.79 -63.12 -42.50 0.42 0.00 99.58 0.10 0.03 0.19 99.52 0.16 0.00 0.00 0.00 16 R H H 103.01 10.85 23.40 34.01 91.23 52.32 -62.44 -41.04 0.19 0.00 99.81 0.03 0.01 0.08 99.83 0.05 0.00 0.00 0.00 17 L H H 64.55 6.58 25.24 32.29 91.69 50.71 -63.95 -41.91 0.13 0.00 99.87 0.01 0.00 0.07 99.87 0.05 0.00 0.00 0.00 18 V H H 4.27 24.48 21.12 45.40 91.84 49.08 -64.31 -43.86 0.14 0.00 99.86 0.01 0.00 0.10 99.82 0.07 0.00 0.00 0.00 19 M H H 8.80 24.39 19.99 43.95 91.47 50.57 -63.14 -41.36 0.20 0.00 99.80 0.01 0.01 0.15 99.65 0.19 0.00 0.00 0.00 20 D H H 85.33 5.20 25.25 31.08 91.25 53.46 -64.58 -35.54 1.24 0.00 98.76 0.03 0.03 1.21 97.65 1.09 0.00 0.00 0.00 21 L H H 53.84 12.07 22.50 34.67 91.54 53.90 -69.58 -27.61 4.87 0.00 95.13 0.05 0.08 5.32 93.13 1.41 0.00 0.00 0.00 22 I H H 2.85 26.14 15.41 42.55 95.45 48.56 -89.22 -15.30 26.30 0.04 73.66 0.80 1.14 24.48 71.61 1.90 0.03 0.01 0.04 23 R C T 101.48 13.79 17.45 31.35 111.97 115.42 -62.32 131.06 97.74 0.07 2.19 0.28 0.60 97.26 1.64 0.15 0.00 0.02 0.06 24 G C T 52.60 2.98 21.47 25.02 94.08 18.16 84.58 -2.66 99.71 0.01 0.28 0.15 0.83 98.80 0.18 0.03 0.00 0.00 0.00 25 K C C 63.53 13.64 15.76 29.85 124.11 124.79 -86.31 154.22 99.68 0.30 0.02 58.05 41.58 0.13 0.01 0.01 0.00 0.11 0.12 26 Q E B 81.39 6.21 24.40 30.89 117.27 -105.21 -72.62 152.24 7.97 92.00 0.03 5.79 0.11 0.00 0.03 0.00 0.00 3.58 90.49 27 V H H 11.00 24.20 14.80 39.19 91.55 -113.60 -57.55 -39.90 0.58 0.00 99.42 0.04 0.03 0.46 99.05 0.41 0.00 0.00 0.00 28 G H H 32.93 7.86 22.93 31.23 91.51 53.16 -62.40 -41.54 0.21 0.00 99.79 0.01 0.01 0.17 99.43 0.39 0.00 0.00 0.00 29 E H H 97.46 4.13 25.53 29.49 91.61 48.31 -66.02 -39.94 0.09 0.00 99.91 0.01 0.00 0.06 99.63 0.31 0.00 0.00 0.00 30 A H H 2.82 24.05 17.05 41.43 91.51 51.32 -63.55 -43.05 0.13 0.00 99.87 0.01 0.01 0.07 99.83 0.08 0.00 0.00 0.00 31 V H H 26.36 18.48 20.43 38.16 91.45 50.84 -62.69 -42.29 0.17 0.00 99.83 0.01 0.01 0.11 99.78 0.09 0.00 0.00 0.00 32 S H H 62.08 2.56 25.46 26.71 91.54 51.25 -63.73 -41.66 0.47 0.00 99.53 0.02 0.01 0.40 99.10 0.47 0.00 0.00 0.00 33 I H H 43.86 12.04 20.87 33.44 91.80 49.89 -64.86 -41.53 1.03 0.00 98.97 0.04 0.03 0.87 97.22 1.83 0.00 0.00 0.00 34 L H H 4.42 25.52 13.85 39.60 91.28 52.54 -66.62 -34.39 3.34 0.01 96.66 0.19 0.16 2.78 91.23 5.62 0.00 0.00 0.00 35 N H H 94.74 7.74 19.19 27.93 90.81 63.21 -67.03 -21.96 35.27 0.03 64.70 0.76 0.85 34.39 60.11 3.83 0.01 0.01 0.03 36 L C T 113.66 3.06 19.21 22.45 94.53 53.43 -89.31 -6.31 62.18 0.06 37.76 1.84 3.07 56.86 34.82 3.32 0.00 0.02 0.06 37 T C S 29.82 17.18 9.54 26.32 118.16 95.23 -87.93 134.40 99.55 0.18 0.27 26.38 72.67 0.53 0.19 0.05 0.00 0.04 0.15 38 P C C 107.07 2.72 18.53 21.68 96.88 -130.28 -74.81 10.17 99.41 0.31 0.29 79.96 17.52 1.86 0.11 0.15 0.00 0.10 0.30 39 R C S 99.56 10.89 14.07 25.74 121.68 110.15 -91.68 147.29 88.28 2.54 9.18 38.12 43.61 6.32 5.09 3.17 0.01 0.54 3.15 40 A C T 67.31 5.88 20.84 27.45 93.97 -119.44 -63.47 -30.10 81.92 0.28 17.81 2.34 11.65 68.83 6.85 9.87 0.01 0.12 0.34 41 A C T 10.29 21.23 16.40 37.27 94.19 53.15 -80.26 -14.37 70.00 0.15 29.85 4.68 4.93 59.79 19.33 11.03 0.01 0.06 0.16 42 S H H 12.55 19.89 17.11 37.15 91.99 90.46 -59.40 -41.00 3.90 0.01 96.09 1.73 0.53 1.30 95.27 1.16 0.00 0.00 0.00 43 P H H 67.07 5.49 25.30 31.12 91.19 53.86 -63.96 -38.35 1.01 0.00 98.99 0.23 0.07 0.52 98.66 0.52 0.00 0.00 0.00 44 I H H 34.46 14.31 23.72 37.89 91.91 49.98 -65.32 -41.98 0.21 0.00 99.79 0.03 0.01 0.11 99.61 0.24 0.00 0.00 0.00 45 I H H 1.39 27.51 20.73 48.67 91.26 49.77 -63.97 -43.19 0.05 0.00 99.95 0.01 0.00 0.02 99.94 0.03 0.00 0.00 0.00 46 E H H 51.84 16.33 23.85 38.99 91.23 51.64 -62.35 -42.24 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 47 K H H 106.88 4.02 27.94 32.23 91.55 50.01 -64.48 -41.42 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 48 V H H 9.85 20.04 22.90 42.65 91.46 49.54 -63.91 -43.78 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 49 L H H 1.98 26.98 21.30 48.45 91.16 48.96 -63.70 -42.96 0.09 0.00 99.91 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 50 K H H 101.55 8.01 26.58 35.21 91.47 50.71 -63.55 -41.68 0.19 0.00 99.81 0.01 0.01 0.13 99.84 0.01 0.00 0.00 0.00 51 S H H 41.86 6.53 26.60 33.94 91.69 49.83 -64.47 -41.95 0.49 0.00 99.51 0.04 0.02 0.35 99.55 0.03 0.00 0.00 0.00 52 A H H 3.62 22.78 20.94 43.72 91.54 49.87 -64.02 -42.77 0.50 0.00 99.50 0.08 0.04 0.31 99.51 0.05 0.00 0.00 0.00 53 I H H 22.48 19.09 22.18 40.54 91.39 49.82 -63.04 -42.86 0.30 0.00 99.70 0.05 0.02 0.17 99.71 0.05 0.00 0.00 0.00 54 A H H 51.73 3.36 25.61 28.44 91.14 50.20 -62.71 -42.42 0.50 0.00 99.50 0.06 0.02 0.30 99.55 0.07 0.00 0.00 0.00 55 N H H 51.76 8.02 22.53 31.34 92.09 48.64 -65.58 -40.19 1.25 0.00 98.75 0.12 0.08 0.86 98.78 0.16 0.00 0.00 0.00 56 A H H 4.87 20.62 13.92 35.24 91.57 51.63 -64.21 -41.64 1.93 0.01 98.06 0.25 0.18 1.30 97.89 0.38 0.00 0.00 0.00 57 E H H 90.46 8.26 16.94 26.01 92.40 50.42 -65.05 -40.15 5.20 0.03 94.77 0.66 0.48 3.91 94.23 0.68 0.02 0.01 0.01 58 H H H 145.55 1.15 18.01 17.73 94.76 44.37 -71.55 -39.05 12.39 0.02 87.59 0.51 0.78 10.98 86.84 0.84 0.02 0.01 0.01 59 N H H 92.77 5.04 15.09 21.17 99.28 33.83 -90.01 -29.15 32.74 0.05 67.20 1.29 2.58 27.80 67.34 0.91 0.02 0.01 0.04 60 Y C T 87.56 10.64 11.43 22.98 105.89 25.76 -115.38 7.27 75.65 0.37 23.97 12.64 29.72 31.48 24.00 1.68 0.01 0.10 0.36 61 E C C 166.52 0.75 17.84 16.83 94.77 -120.68 55.05 39.91 99.37 0.08 0.55 55.19 16.27 27.93 0.19 0.31 0.00 0.04 0.06 62 M C C 42.26 16.52 8.82 24.81 123.97 142.83 -103.29 148.29 99.45 0.33 0.23 84.64 14.10 0.62 0.09 0.12 0.00 0.09 0.35 63 D C C 87.64 2.90 22.59 24.59 107.90 -120.12 -85.60 115.10 99.73 0.15 0.11 99.25 0.46 0.13 0.03 0.03 0.00 0.06 0.06 64 A H G 26.58 20.81 11.37 31.46 92.68 -157.90 -64.16 -26.23 12.65 0.19 87.16 1.27 1.24 8.01 0.46 88.88 0.00 0.13 0.01 65 N H G 110.35 3.97 20.30 25.32 90.78 66.14 -70.70 -14.73 13.34 0.19 86.47 0.55 1.09 9.72 0.38 88.13 0.00 0.13 0.01 66 N H G 78.47 7.05 20.40 28.48 97.57 54.93 -97.05 4.48 13.59 0.62 85.79 1.97 1.99 7.55 0.46 87.50 0.00 0.50 0.03 67 L E E 7.71 25.03 12.56 37.81 117.59 108.75 -88.09 134.66 25.73 74.19 0.07 22.93 2.53 0.11 0.02 0.05 0.00 73.96 0.42 68 V E E 44.62 9.59 26.90 37.23 123.63 -165.55 -120.54 133.63 1.11 98.89 0.00 1.00 0.05 0.00 0.00 0.00 0.00 98.88 0.07 69 I E E 17.10 23.50 16.17 39.79 110.33 -128.93 -83.06 120.64 0.32 99.68 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.69 0.01 70 S E E 48.42 7.62 22.77 31.17 100.45 175.78 -93.91 -33.95 1.64 98.36 0.00 0.97 0.41 0.01 0.00 0.00 0.00 98.60 0.01 71 Q E E 77.26 6.25 25.04 32.30 140.16 1.34 -155.29 149.04 0.83 99.17 0.00 0.53 0.13 0.01 0.00 0.00 0.00 99.33 0.00 72 A E E 13.78 24.27 14.47 38.21 129.44 -170.40 -134.17 137.96 0.55 99.45 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.00 73 F E E 75.47 8.10 26.20 34.90 129.65 -172.72 -133.28 141.81 0.27 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 74 V E E 30.70 21.30 15.30 35.83 122.73 -161.88 -117.74 132.78 2.43 97.57 0.00 2.26 0.07 0.00 0.00 0.00 0.00 97.61 0.05 75 D E E 58.77 8.99 20.52 30.05 121.74 -167.32 -113.39 140.72 20.10 79.87 0.03 16.22 3.28 0.18 0.00 0.02 0.00 79.92 0.37 76 E E E 109.51 8.75 17.68 27.10 115.10 -122.33 -88.81 132.70 44.30 55.60 0.11 35.95 7.16 0.51 0.02 0.10 0.00 54.79 1.47 77 G C C 21.05 13.60 12.34 26.20 127.55 -145.00 -94.40 172.95 68.15 31.70 0.15 52.68 13.94 0.92 0.03 0.15 0.00 31.32 0.96 78 P C C 82.32 4.86 16.81 22.55 113.70 -72.23 -69.56 149.02 66.88 32.78 0.34 44.39 19.99 2.04 0.05 0.32 0.00 32.44 0.77 79 T E E 77.05 8.53 12.12 21.85 120.45 -136.67 -105.76 138.33 31.85 67.52 0.62 26.33 5.02 0.90 0.23 0.42 0.00 64.97 2.13 80 L E E 88.21 7.03 11.39 20.19 119.10 -152.32 -107.66 135.48 20.45 79.14 0.41 18.25 1.91 0.38 0.18 0.22 0.00 77.66 1.40 81 K E E 131.32 4.38 12.27 18.72 117.76 -145.48 -100.72 133.37 18.20 81.51 0.29 16.35 1.41 0.27 0.11 0.15 0.00 80.86 0.85 82 R E E 134.72 5.22 11.14 18.26 120.06 -157.19 -110.61 139.64 22.81 76.91 0.28 20.89 1.57 0.28 0.12 0.14 0.00 75.95 1.06 83 F E E 122.77 5.38 9.12 16.55 117.59 -136.37 -97.02 135.77 32.16 67.39 0.45 29.64 1.92 0.35 0.26 0.23 0.00 64.32 3.28 84 R C C 148.34 2.96 10.79 15.58 119.60 -155.30 -110.18 135.49 62.95 36.10 0.95 58.19 3.16 0.57 0.50 0.41 0.00 35.89 1.27 85 P C C 93.42 3.56 8.47 14.03 113.19 -112.87 -71.27 142.38 51.97 28.50 19.53 38.75 7.11 6.66 8.12 11.10 0.02 25.87 2.37 86 R C G 156.33 2.56 7.82 12.19 112.96 -149.00 -99.69 147.06 48.36 9.17 42.47 28.54 9.92 11.53 10.11 31.02 0.03 7.32 1.53 87 A H G 91.31 1.20 7.39 9.56 113.43 -49.28 -88.52 130.58 39.76 8.12 52.12 13.16 10.70 19.10 7.46 41.62 0.12 6.17 1.66 88 M C G 164.27 0.55 8.59 8.89 100.12 -8.27 30.64 37.46 52.40 1.81 45.79 7.60 11.57 33.38 5.37 40.12 0.03 1.05 0.88 89 G C T 63.95 0.84 8.91 10.13 100.14 -56.00 81.47 1.24 81.02 1.94 17.04 9.83 24.34 47.36 2.26 14.20 0.01 1.19 0.80 90 R C C 154.13 1.93 8.83 12.37 120.16 106.61 -102.26 144.31 71.43 18.12 10.45 31.50 23.44 18.29 2.21 7.69 0.07 12.60 4.19 91 A C C 72.87 4.48 8.53 15.00 115.38 -130.29 -88.10 138.70 64.96 29.12 5.92 45.58 12.20 7.37 1.64 4.59 0.02 24.71 3.89 92 S C C 59.66 5.25 11.07 18.19 124.21 -170.00 -116.00 148.99 60.05 37.33 2.62 43.61 12.17 4.58 0.59 2.02 0.00 35.61 1.41 93 Q E E 115.51 4.61 12.33 18.82 116.10 -118.17 -88.18 136.31 44.90 54.36 0.73 38.22 4.78 1.14 0.20 0.48 0.00 54.31 0.87 94 I E E 77.36 8.97 11.58 22.01 121.04 -162.33 -112.36 136.00 20.38 79.45 0.17 18.96 1.12 0.19 0.08 0.09 0.00 77.69 1.88 95 N E E 84.28 7.22 13.84 22.61 116.09 -147.25 -100.35 126.98 17.04 82.83 0.13 15.45 1.10 0.17 0.06 0.07 0.00 80.52 2.63 96 K E E 99.12 9.50 14.80 25.28 123.08 -172.49 -118.88 137.66 40.78 59.08 0.13 32.80 6.72 0.42 0.03 0.10 0.00 59.17 0.76 97 R E E 109.60 9.89 16.85 27.29 117.19 -134.98 -96.18 136.99 48.67 51.21 0.12 42.27 4.96 0.38 0.03 0.09 0.00 51.55 0.73 98 T E E 42.96 13.07 18.25 31.67 127.89 -161.81 -119.54 148.63 32.65 67.26 0.09 30.96 1.35 0.15 0.02 0.06 0.00 65.85 1.62 99 S E E 13.02 18.91 17.17 36.22 126.68 -154.92 -121.25 147.10 17.40 82.57 0.03 16.06 0.96 0.07 0.01 0.02 0.00 82.15 0.72 100 H E E 60.38 11.36 23.70 35.45 121.48 -148.08 -112.82 133.92 8.64 91.35 0.01 7.44 0.73 0.03 0.00 0.01 0.00 91.64 0.14 101 I E E 8.34 23.67 18.38 42.33 121.86 -162.73 -114.70 132.09 2.39 97.61 0.00 2.26 0.06 0.00 0.00 0.00 0.00 97.63 0.04 102 T E E 27.88 11.61 26.01 38.57 121.31 -164.49 -115.03 131.68 0.51 99.49 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.01 103 I E E 5.46 24.63 19.71 44.80 120.26 -162.76 -114.06 128.47 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 104 V E E 26.56 11.48 26.75 39.46 119.37 -163.87 -113.24 128.43 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 105 V E E 6.47 23.66 18.28 42.38 120.28 -163.31 -110.63 131.84 0.76 99.24 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.27 0.02 106 S E E 30.35 9.87 22.00 32.67 133.55 177.31 -131.08 157.50 6.59 93.38 0.02 5.99 0.40 0.05 0.01 0.01 0.00 93.35 0.19 107 E E E 91.19 11.06 15.03 26.53 114.77 -109.40 -84.44 137.38 29.85 70.07 0.08 28.38 0.76 0.13 0.03 0.05 0.00 69.90 0.76 108 K C C 131.82 5.36 15.97 22.85 110.88 -112.02 -76.62 133.74 99.73 0.27 0.00 99.72 0.07 0.02 0.00 0.00 0.00 0.19 0.01