# 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 84.58 10.94 13.71 25.08 117.01 -162.53 -98.96 134.09 99.87 0.09 0.04 99.82 0.06 0.04 0.02 0.00 0.00 0.04 0.01 1 S C C 59.42 6.24 12.94 20.46 109.01 -131.22 -78.49 142.37 70.13 1.78 28.09 63.83 1.08 6.49 22.83 4.08 0.00 0.92 0.77 2 S H H 64.94 4.66 13.53 19.47 96.16 -76.68 -68.71 -32.17 41.92 1.38 56.70 20.98 7.43 14.73 42.49 13.00 0.03 0.78 0.54 3 W H H 86.41 13.33 12.42 25.79 95.58 58.83 -67.99 -34.04 27.77 1.32 70.91 12.46 5.20 10.69 52.72 17.62 0.06 0.86 0.41 4 Q H H 78.89 12.15 13.79 26.10 94.10 60.27 -67.16 -33.13 21.62 1.02 77.36 11.16 3.85 7.14 59.23 17.63 0.03 0.67 0.29 5 K H H 130.31 3.50 17.29 21.47 94.98 55.92 -72.58 -25.92 24.96 0.99 74.04 10.58 4.55 10.32 57.89 15.64 0.07 0.62 0.33 6 L H H 75.30 8.31 17.52 26.45 98.84 50.30 -82.65 -29.91 31.66 1.34 67.00 11.15 6.00 15.64 53.54 12.13 0.19 0.80 0.55 7 I H H 25.48 20.44 14.88 34.03 97.27 53.19 -75.05 -35.40 37.19 1.61 61.20 13.44 8.97 16.93 45.79 12.96 0.27 0.80 0.85 8 G H G 22.24 14.47 16.76 30.89 96.05 58.06 -60.05 -39.09 37.87 1.05 61.09 15.00 5.92 16.67 24.45 36.91 0.03 0.60 0.42 9 T H G 89.74 4.52 21.27 26.20 94.70 52.52 -75.74 -16.92 46.92 0.81 52.26 7.26 7.08 31.69 14.72 38.30 0.04 0.46 0.44 10 N C G 58.42 12.28 18.97 31.41 97.89 54.33 -92.85 -7.45 52.48 1.60 45.92 14.19 8.89 29.80 9.62 35.87 0.03 0.97 0.62 11 L C C 10.98 24.30 13.01 37.13 114.72 95.48 -86.24 128.58 71.57 27.84 0.59 66.40 4.03 0.57 0.20 0.35 0.00 26.86 1.59 12 R C C 111.01 7.49 23.94 31.91 101.60 175.95 -97.37 -30.97 65.72 34.18 0.10 40.54 24.17 0.42 0.02 0.07 0.00 34.35 0.43 13 E E E 54.12 11.70 24.62 36.64 134.60 7.01 -147.39 143.52 4.28 95.69 0.04 3.46 0.53 0.05 0.01 0.02 0.00 95.83 0.10 14 L E E 6.12 25.44 18.28 44.09 121.82 -160.83 -114.96 129.46 0.76 99.23 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.29 0.01 15 R E E 64.77 11.74 27.43 39.52 118.77 -164.88 -116.03 125.36 0.26 99.74 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 16 F E E 6.28 25.24 20.45 46.08 119.00 -164.38 -111.13 126.07 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 17 V E E 24.40 14.04 27.33 41.94 115.62 -164.00 -109.71 122.06 0.79 99.21 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.24 0.02 18 F E E 11.66 23.27 20.06 43.04 124.60 -167.17 -110.57 142.06 17.09 82.90 0.01 15.79 0.61 0.02 0.00 0.00 0.00 83.21 0.37 19 C C C 16.46 15.11 20.32 36.45 110.79 -136.92 -95.76 117.80 82.36 17.60 0.04 82.04 0.89 0.10 0.01 0.02 0.00 16.33 0.61 20 Q C T 77.61 12.63 17.32 30.41 95.50 -164.38 -76.21 -10.53 98.54 1.07 0.39 13.30 37.64 47.75 0.05 0.36 0.00 0.67 0.23 21 N C S 114.19 2.62 18.61 21.37 98.11 63.38 -91.62 -8.85 99.13 0.28 0.59 6.40 48.50 44.34 0.07 0.43 0.00 0.11 0.15 22 S C S 34.62 10.67 11.62 23.75 123.37 80.12 -105.11 147.59 98.81 0.53 0.67 42.26 55.56 0.96 0.27 0.26 0.00 0.12 0.57 23 Q H G 141.28 1.78 16.67 18.92 92.53 -126.15 -63.17 -30.81 17.39 0.07 82.54 1.27 2.07 13.08 4.16 79.37 0.00 0.04 0.02 24 R H G 125.06 7.77 16.92 25.69 91.95 62.08 -69.76 -20.56 15.59 0.04 84.37 0.72 1.21 12.87 3.99 81.16 0.00 0.02 0.01 25 S H G 7.73 21.26 11.53 33.04 96.70 50.62 -96.79 2.43 14.45 0.06 85.49 2.91 1.57 8.62 6.42 80.44 0.00 0.04 0.01 26 L H H 86.46 6.69 20.39 28.36 92.53 102.57 -60.17 -40.39 4.00 0.00 95.99 0.48 0.37 2.91 94.99 1.24 0.00 0.00 0.00 27 G H H 28.84 6.12 22.71 29.53 91.89 50.33 -63.64 -39.96 2.48 0.00 97.52 0.12 0.15 2.19 96.62 0.92 0.00 0.00 0.00 28 L H H 9.00 22.93 18.29 40.96 92.08 50.22 -65.53 -41.54 0.47 0.00 99.53 0.06 0.03 0.29 99.05 0.57 0.00 0.00 0.00 29 R H H 65.40 16.93 20.68 36.44 91.53 52.95 -61.93 -42.58 0.12 0.00 99.88 0.02 0.01 0.06 99.86 0.06 0.00 0.00 0.00 30 N H H 87.63 2.53 25.61 26.93 91.43 50.38 -63.59 -41.61 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 31 Y H H 28.01 14.20 20.27 35.43 91.60 50.58 -63.27 -43.83 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 32 I H H 3.81 25.62 16.14 42.07 91.38 48.70 -63.77 -43.08 0.27 0.00 99.73 0.02 0.01 0.20 99.73 0.05 0.00 0.00 0.00 33 A H H 51.97 9.64 19.88 29.76 92.12 48.96 -65.32 -39.57 1.11 0.00 98.89 0.03 0.04 1.03 98.77 0.13 0.00 0.00 0.00 34 K H H 132.41 1.92 21.85 22.53 97.11 38.77 -80.67 -36.62 10.76 0.00 89.23 0.09 0.23 11.45 87.76 0.46 0.01 0.00 0.00 35 N H H 44.42 13.11 17.54 30.97 104.66 25.99 -108.11 -28.27 43.62 0.02 56.37 0.42 0.98 41.65 56.18 0.73 0.01 0.00 0.02 36 Y H H 12.47 23.59 14.52 37.60 94.59 54.26 -71.35 -39.58 15.93 0.10 83.97 3.37 1.63 10.68 81.92 2.29 0.02 0.04 0.06 37 W H H 118.81 6.58 20.14 27.40 91.95 56.12 -62.51 -41.79 2.25 0.01 97.74 0.44 0.19 1.38 97.03 0.96 0.00 0.00 0.00 38 N H H 85.61 2.79 22.38 24.29 92.18 49.94 -65.35 -39.55 1.15 0.00 98.84 0.19 0.08 0.73 98.13 0.86 0.00 0.00 0.00 39 L H H 11.71 19.49 14.69 34.58 92.25 51.36 -64.71 -41.63 0.47 0.00 99.52 0.06 0.03 0.31 98.85 0.75 0.00 0.00 0.00 40 K H H 70.73 14.58 14.78 29.08 91.83 53.13 -65.16 -34.27 1.05 0.00 98.95 0.11 0.07 0.78 98.17 0.86 0.00 0.00 0.00 41 N H H 123.27 1.19 18.61 18.57 92.71 50.50 -68.07 -34.88 5.52 0.01 94.47 0.18 0.26 5.07 93.87 0.62 0.01 0.00 0.00 42 Q H H 105.14 4.79 16.61 22.14 96.06 42.19 -80.80 -30.30 10.40 0.03 89.57 0.27 1.44 8.58 89.35 0.30 0.02 0.01 0.02 43 N C C 32.57 14.80 11.12 26.43 113.16 21.38 -133.80 82.01 99.87 0.08 0.05 89.63 10.06 0.15 0.04 0.01 0.00 0.02 0.10 44 P C T 90.38 5.61 14.48 22.40 92.57 174.75 -65.60 -19.59 99.67 0.05 0.29 0.78 2.47 96.46 0.01 0.24 0.00 0.02 0.02 45 N C T 117.56 2.46 19.06 21.81 92.47 61.76 -84.86 -6.32 99.76 0.05 0.18 0.42 3.12 96.24 0.01 0.17 0.00 0.03 0.01 46 F C S 19.35 22.07 10.80 32.60 114.41 98.10 -86.25 125.09 98.98 1.00 0.02 22.80 76.37 0.14 0.00 0.01 0.00 0.50 0.18 47 P C C 59.79 6.18 24.56 31.17 113.36 -124.76 -70.46 138.88 95.28 4.72 0.00 94.73 0.98 0.02 0.00 0.00 0.00 4.08 0.19 48 L E E 24.61 23.75 13.29 36.52 120.88 -156.79 -113.80 129.62 6.77 93.23 0.00 6.57 0.21 0.00 0.00 0.00 0.00 92.71 0.51 49 I E E 59.54 8.59 24.34 33.49 119.75 -163.97 -113.58 129.34 0.54 99.46 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 50 V E E 49.61 19.66 15.58 34.08 120.50 -159.03 -112.31 129.21 0.34 99.66 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.01 51 R E E 98.61 7.87 21.35 30.06 127.96 -177.31 -132.70 140.25 0.58 99.42 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.40 0.02 52 E E E 102.59 10.04 17.85 28.51 115.30 -125.98 -83.03 133.81 5.33 94.67 0.00 5.20 0.14 0.01 0.00 0.00 0.00 94.42 0.23 53 C C C 26.55 17.05 11.42 28.32 119.39 -160.02 -114.40 133.03 74.41 25.48 0.11 73.87 0.81 0.14 0.02 0.07 0.00 24.35 0.75 54 E C T 140.73 2.40 17.14 20.11 108.14 -158.57 -90.48 67.71 93.31 5.86 0.83 22.25 28.60 42.69 0.07 0.92 0.00 4.76 0.72 55 E C T 139.38 2.92 17.57 20.88 99.76 11.88 33.30 30.15 96.66 2.77 0.57 12.54 38.87 45.38 0.04 0.66 0.00 2.10 0.42 56 A C C 29.63 15.81 13.09 28.90 119.29 139.95 -94.79 139.47 93.68 6.10 0.22 77.63 15.80 0.65 0.04 0.21 0.00 3.64 2.03 57 D C C 67.26 8.09 23.20 31.40 120.03 -133.05 -96.31 142.12 95.68 4.29 0.03 83.88 11.92 0.24 0.00 0.03 0.00 3.43 0.50 58 P C C 13.51 22.25 16.46 38.74 114.14 -102.24 -67.53 142.86 90.04 9.94 0.02 78.67 10.34 0.20 0.00 0.02 0.00 10.50 0.26 59 Y E E 66.26 11.93 25.43 37.62 131.03 -168.52 -132.92 144.86 1.95 98.05 0.00 1.84 0.08 0.00 0.00 0.00 0.00 97.93 0.15 60 I E E 5.96 24.92 18.60 44.18 119.78 -151.46 -110.40 130.64 0.24 99.76 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 61 I E E 34.21 11.15 26.06 38.24 121.07 -165.88 -115.99 131.02 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 62 A E E 4.22 23.79 17.23 41.35 129.47 -172.94 -126.92 146.77 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 63 R E E 76.46 8.65 23.42 32.90 116.50 -142.45 -106.54 124.65 0.20 99.80 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 64 Y C C 27.24 17.76 12.99 31.00 125.60 -160.35 -97.83 165.24 50.86 49.06 0.09 50.86 0.45 0.08 0.01 0.04 0.00 48.04 0.51 65 Q C T 103.43 7.47 15.53 23.87 97.46 -93.92 -63.72 -22.35 96.71 0.85 2.45 0.41 3.33 93.07 0.03 2.57 0.00 0.51 0.07 66 Y C T 158.53 3.26 14.76 18.71 96.39 44.56 -86.56 8.76 97.13 0.09 2.77 0.28 2.43 94.15 0.04 3.04 0.00 0.04 0.02 67 G C S 44.01 4.43 14.30 19.98 102.98 -93.49 92.72 1.83 97.39 0.72 1.88 16.11 73.62 7.57 0.15 1.87 0.00 0.45 0.23 68 V C C 77.69 5.13 15.19 21.75 116.10 132.88 -83.02 138.32 90.91 9.06 0.03 91.41 0.64 0.04 0.01 0.01 0.00 7.24 0.65 69 E E E 94.65 12.43 12.72 25.66 123.07 -156.74 -113.12 136.98 1.59 98.41 0.00 1.50 0.06 0.00 0.00 0.00 0.00 98.33 0.12 70 K E E 82.74 9.18 18.52 28.79 129.43 -176.02 -132.83 143.27 0.27 99.73 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 71 K E E 103.01 12.73 16.32 29.64 125.72 -160.96 -123.53 138.22 0.36 99.64 0.00 0.30 0.02 0.00 0.00 0.00 0.00 99.68 0.00 72 A E E 25.05 14.30 18.11 33.32 128.65 -174.96 -132.44 139.34 0.90 99.10 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.12 0.03 73 F E E 114.69 7.00 22.79 30.39 113.78 -125.50 -83.35 130.96 5.62 94.35 0.02 5.11 0.30 0.05 0.01 0.01 0.00 94.27 0.26 74 A C C 5.75 23.86 12.89 37.23 102.54 -167.28 -103.59 16.90 84.13 15.20 0.67 82.02 1.61 0.65 0.13 0.52 0.00 14.15 0.93 75 A C T 53.67 8.66 18.54 28.18 114.62 134.53 -69.20 140.87 94.55 4.73 0.73 9.56 10.86 74.40 0.09 0.68 0.00 3.65 0.76 76 N C T 126.61 1.94 19.97 21.65 93.05 8.64 64.78 26.23 98.49 1.10 0.41 4.44 17.49 76.58 0.02 0.44 0.00 0.88 0.14 77 N C C 33.54 17.22 10.12 26.95 122.41 137.64 -91.09 149.32 96.14 3.72 0.14 76.94 19.25 0.25 0.06 0.08 0.00 1.56 1.87 78 N C C 81.80 2.48 22.41 23.37 122.57 -120.48 -81.15 163.58 97.26 2.64 0.11 96.69 0.90 0.05 0.07 0.01 0.00 0.58 1.69 79 E H H 87.28 14.12 13.41 27.41 91.57 -103.57 -57.87 -38.92 0.87 0.00 99.13 0.10 0.09 0.53 99.00 0.28 0.00 0.00 0.00 80 A H H 72.35 1.86 20.02 20.89 91.62 52.83 -63.90 -40.31 0.42 0.00 99.58 0.04 0.02 0.28 99.35 0.31 0.00 0.00 0.00 81 E H H 84.15 5.90 19.50 26.15 91.88 48.87 -65.94 -39.90 0.22 0.00 99.78 0.04 0.01 0.12 99.50 0.33 0.00 0.00 0.00 82 I H H 5.12 23.90 14.13 38.39 91.61 50.30 -63.07 -43.92 0.12 0.00 99.88 0.02 0.01 0.05 99.88 0.04 0.00 0.00 0.00 83 E H H 64.64 11.97 20.38 32.53 91.38 51.18 -62.36 -41.79 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 84 N H H 90.97 2.00 24.76 24.83 91.61 50.16 -64.74 -41.29 0.26 0.00 99.74 0.02 0.01 0.18 99.77 0.02 0.00 0.00 0.00 85 I H H 28.41 13.91 20.62 35.10 91.68 49.87 -64.48 -42.91 0.15 0.00 99.85 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 86 I H H 5.13 24.96 17.59 42.66 91.44 50.16 -63.31 -43.26 0.14 0.00 99.86 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 87 K H H 99.21 7.33 22.67 30.45 91.31 51.25 -62.42 -41.74 0.20 0.00 99.80 0.03 0.01 0.11 99.83 0.03 0.00 0.00 0.00 88 T H H 68.53 3.21 24.09 26.54 91.58 49.54 -64.35 -42.14 0.47 0.00 99.53 0.05 0.02 0.29 99.57 0.07 0.00 0.00 0.00 89 L H H 14.30 18.56 18.42 37.31 91.98 49.63 -63.97 -42.89 1.03 0.00 98.96 0.14 0.07 0.63 99.01 0.15 0.00 0.00 0.00 90 V H H 24.85 17.41 17.83 35.11 91.88 49.58 -64.54 -40.68 3.32 0.02 96.66 0.57 0.31 2.11 96.61 0.38 0.00 0.01 0.01 91 E H H 124.32 2.32 22.31 23.99 92.14 50.51 -66.79 -36.11 13.93 0.08 85.99 1.83 1.26 10.15 85.94 0.75 0.02 0.03 0.04 92 Q H H 86.18 6.46 18.41 25.63 94.72 51.01 -76.29 -25.74 33.58 0.31 66.11 8.13 5.52 19.46 65.28 1.30 0.02 0.11 0.17 93 S H H 22.66 17.33 12.42 29.24 98.44 74.24 -69.97 -35.46 43.58 0.80 55.63 27.66 7.48 8.26 53.37 2.56 0.01 0.34 0.32 94 N H H 95.60 4.62 18.43 23.69 95.18 68.86 -66.93 -33.82 34.36 0.94 64.70 20.94 5.47 8.80 60.01 3.95 0.01 0.51 0.31 95 K H H 112.00 4.54 18.12 23.01 95.45 54.63 -70.18 -35.12 27.84 1.50 70.65 17.56 4.53 7.31 64.61 4.62 0.03 0.95 0.40 96 V H H 40.46 12.76 13.53 26.95 96.33 54.83 -69.94 -38.59 22.82 1.50 75.68 14.70 4.32 5.76 69.89 3.98 0.03 0.93 0.39 97 N H H 78.36 6.90 15.73 23.57 95.99 53.81 -69.99 -31.66 26.22 0.91 72.87 16.97 4.04 6.72 67.60 3.85 0.01 0.52 0.28 98 N H H 87.21 4.00 13.62 18.78 96.04 58.51 -70.60 -32.15 26.61 0.64 72.76 14.12 4.62 9.26 66.34 5.07 0.02 0.35 0.23 99 Q H H 106.62 3.83 12.68 17.82 96.39 58.50 -71.84 -29.70 30.28 0.84 68.89 14.25 5.79 11.97 61.70 5.48 0.04 0.43 0.34 100 M H H 106.29 5.43 10.22 17.14 97.72 57.85 -75.78 -25.55 39.44 1.42 59.13 19.62 8.08 14.14 52.39 4.43 0.05 0.68 0.63 101 Q C C 123.42 3.05 9.70 14.32 100.89 61.64 -81.99 -1.86 65.30 0.95 33.75 45.96 1.90 16.39 32.53 2.28 0.00 0.44 0.51 102 K C C 145.66 2.74 11.75 15.98 105.61 76.03 -83.36 68.50 99.93 0.02 0.05 99.79 0.07 0.10 0.03 0.00 0.00 0.01 0.00