# 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 79.53 14.11 18.46 31.74 119.86 92.62 -99.70 134.70 99.85 0.14 0.01 99.83 0.06 0.02 0.00 0.00 0.00 0.07 0.01 1 G C C 28.58 11.83 16.97 28.86 124.44 126.17 93.89 -177.39 90.16 9.29 0.55 87.05 1.19 2.39 0.17 0.26 0.00 7.28 1.66 2 C C C 70.41 9.24 18.38 27.90 117.05 -103.70 -105.50 135.03 81.53 17.34 1.13 63.78 13.50 3.88 0.39 0.84 0.00 13.37 4.25 3 V C C 33.67 19.06 13.04 31.26 114.32 -141.30 -95.98 124.43 80.97 17.50 1.53 72.50 6.21 1.76 0.84 0.75 0.00 12.25 5.70 4 R C C 127.99 7.97 19.16 27.62 101.93 -165.15 -94.13 -10.90 91.12 7.24 1.64 78.11 11.76 1.50 1.17 0.52 0.00 4.63 2.32 5 N C C 48.02 11.51 15.63 27.95 127.82 72.49 -112.06 161.00 91.25 2.60 6.14 66.38 22.80 1.66 6.30 0.65 0.00 0.92 1.29 6 K H H 135.47 3.78 18.72 23.55 92.16 -113.22 -61.76 -35.29 5.04 0.03 94.93 1.47 1.27 2.05 94.79 0.40 0.00 0.01 0.01 7 I H H 62.61 10.42 19.59 30.42 92.32 53.05 -64.91 -41.86 2.72 0.02 97.25 0.72 0.39 1.46 97.02 0.38 0.00 0.01 0.01 8 V H H 7.07 23.02 16.59 39.50 91.97 48.74 -65.21 -42.14 1.01 0.01 98.98 0.35 0.11 0.48 98.72 0.32 0.00 0.00 0.00 9 K H H 70.14 14.81 21.18 35.03 91.35 51.80 -62.16 -42.57 0.48 0.00 99.52 0.17 0.04 0.21 99.44 0.14 0.00 0.00 0.00 10 R H H 119.92 4.16 26.75 30.82 91.46 49.39 -64.12 -41.88 0.67 0.00 99.33 0.14 0.05 0.40 99.31 0.10 0.00 0.00 0.00 11 A H H 13.34 15.64 23.04 39.00 91.46 49.72 -64.00 -42.35 0.77 0.00 99.23 0.14 0.05 0.48 99.26 0.07 0.00 0.00 0.00 12 A H H 1.61 26.14 19.53 46.01 91.11 51.08 -63.27 -42.11 0.26 0.00 99.74 0.04 0.01 0.12 99.80 0.02 0.00 0.00 0.00 13 R H H 93.82 11.97 25.17 36.62 91.46 51.42 -63.06 -42.09 0.18 0.00 99.82 0.02 0.01 0.08 99.87 0.01 0.00 0.00 0.00 14 T H H 47.51 6.06 25.57 32.22 91.26 49.89 -63.67 -43.15 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 15 I H H 8.60 20.41 20.68 41.21 91.45 48.76 -63.78 -43.89 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 16 A H H 4.66 24.06 17.10 41.03 91.21 49.57 -63.56 -42.01 0.11 0.00 99.89 0.01 0.00 0.08 99.85 0.07 0.00 0.00 0.00 17 E H H 112.41 5.16 21.51 27.32 92.43 49.03 -66.70 -38.17 0.47 0.00 99.53 0.01 0.01 0.46 99.21 0.31 0.00 0.00 0.00 18 K H H 121.08 3.87 20.94 25.00 95.35 40.73 -78.82 -32.34 3.29 0.00 96.71 0.02 0.05 3.65 95.83 0.44 0.00 0.00 0.00 19 Y H H 36.69 17.42 14.72 32.41 102.65 28.57 -115.16 3.64 27.19 0.01 72.80 0.73 1.01 25.50 71.07 1.68 0.01 0.00 0.01 20 F H G 51.37 20.25 13.43 32.72 92.18 105.19 -59.75 -38.20 11.58 0.05 88.37 1.69 0.82 7.88 12.44 77.13 0.00 0.04 0.01 21 Q H G 136.08 1.99 21.45 23.45 90.25 60.68 -68.66 -20.36 10.78 0.03 89.19 0.52 0.62 8.93 9.57 80.33 0.00 0.02 0.00 22 R H G 101.94 10.03 19.93 30.39 94.97 54.26 -92.61 -10.13 11.07 0.08 88.85 1.37 1.04 7.57 8.57 81.38 0.00 0.06 0.01 23 L C C 9.02 25.44 12.21 37.41 112.11 95.18 -81.63 124.06 65.60 2.35 32.05 41.11 13.77 10.22 7.65 24.37 0.01 0.98 1.90 24 D C C 51.02 8.51 23.43 32.03 137.49 163.83 -136.44 168.51 96.44 2.12 1.44 82.25 7.32 6.49 0.65 0.72 0.00 0.97 1.60 25 S C S 58.43 13.82 17.29 30.91 96.82 -121.15 -92.78 9.45 99.52 0.35 0.13 8.69 86.59 4.35 0.02 0.09 0.00 0.17 0.10 26 T C S 67.63 4.90 21.19 26.93 115.05 105.92 -90.58 131.14 97.52 2.23 0.25 39.17 58.05 0.24 0.18 0.05 0.00 0.32 1.99 27 F H H 62.71 17.60 13.35 30.58 93.10 -145.86 -60.82 -38.79 3.08 0.01 96.91 0.29 0.66 2.03 96.63 0.38 0.00 0.00 0.00 28 D H H 99.19 2.65 21.23 23.91 91.62 54.12 -63.66 -40.94 2.23 0.00 97.77 0.11 0.16 1.97 97.32 0.43 0.00 0.00 0.00 29 H H H 71.84 7.52 20.37 28.70 92.22 47.14 -66.89 -40.53 0.98 0.00 99.02 0.07 0.07 0.76 98.74 0.36 0.00 0.00 0.00 30 N H H 6.81 22.98 15.52 38.57 91.28 51.81 -62.88 -43.07 0.16 0.00 99.84 0.02 0.01 0.08 99.83 0.05 0.00 0.00 0.00 31 L H H 51.88 12.97 21.56 34.41 91.44 50.94 -63.01 -41.54 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 32 L H H 78.23 3.55 25.33 28.26 91.54 50.64 -63.67 -42.76 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 33 V H H 12.64 17.42 20.46 38.31 91.90 49.28 -63.92 -43.41 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 34 V H H 4.97 24.22 16.85 41.17 91.18 50.25 -63.31 -42.39 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 35 Q H H 101.95 6.69 21.56 28.83 91.90 50.94 -65.32 -37.64 0.63 0.00 99.36 0.02 0.02 0.59 99.23 0.14 0.00 0.00 0.00 36 D H H 86.54 4.84 21.87 26.92 94.73 46.44 -73.96 -32.69 3.48 0.00 96.52 0.04 0.09 3.55 96.10 0.21 0.00 0.00 0.00 37 V H H 27.44 17.68 16.91 34.26 102.43 33.58 -98.71 -27.84 21.56 0.05 78.40 0.63 1.72 18.75 78.31 0.50 0.03 0.01 0.03 38 A C T 26.39 17.69 17.12 33.75 109.64 54.88 -86.85 -2.19 82.28 1.21 16.51 12.74 25.43 43.70 14.11 2.73 0.05 0.46 0.78 39 V C T 76.50 8.23 22.16 30.23 104.72 -123.57 -89.82 38.06 90.00 3.40 6.60 30.96 28.29 31.36 3.40 2.67 0.01 1.46 1.85 40 V C C 22.92 20.01 11.50 30.94 114.97 134.04 -93.43 123.08 96.18 1.79 2.03 82.11 11.78 2.23 1.23 0.68 0.00 0.72 1.26 41 Q C C 123.03 4.12 18.47 23.39 96.73 -162.11 -80.93 -22.10 99.01 0.60 0.40 78.79 19.27 0.99 0.18 0.17 0.00 0.23 0.36 42 S C C 44.09 6.45 15.74 23.79 124.09 57.08 -110.09 146.90 97.42 1.80 0.78 56.68 40.09 0.43 0.63 0.12 0.00 0.29 1.76 43 K H H 133.93 5.23 14.57 21.77 92.54 -131.04 -61.64 -36.44 1.67 0.00 98.33 0.18 0.31 1.05 98.03 0.43 0.00 0.00 0.00 44 K H H 134.64 2.04 19.41 21.22 91.64 54.68 -63.36 -40.53 1.05 0.00 98.95 0.09 0.09 0.78 98.49 0.55 0.00 0.00 0.00 45 L H H 24.93 15.26 16.20 32.11 91.99 47.92 -65.95 -41.28 0.45 0.00 99.55 0.06 0.04 0.29 99.04 0.56 0.00 0.00 0.00 46 K H H 42.97 18.09 16.45 33.97 91.34 52.64 -61.61 -42.89 0.15 0.00 99.85 0.02 0.01 0.08 99.78 0.11 0.00 0.00 0.00 47 N H H 84.36 4.79 23.94 28.74 91.61 49.88 -65.30 -40.23 0.34 0.00 99.66 0.03 0.02 0.24 99.60 0.11 0.00 0.00 0.00 48 E H H 82.83 7.83 24.47 32.53 91.84 49.47 -65.14 -41.78 0.66 0.00 99.34 0.04 0.03 0.53 99.25 0.16 0.00 0.00 0.00 49 I H H 5.38 23.93 19.78 43.57 92.04 48.33 -65.80 -42.57 1.79 0.00 98.20 0.09 0.09 1.48 98.11 0.23 0.00 0.00 0.00 50 A H H 19.54 16.97 22.40 38.87 91.44 52.22 -62.59 -41.75 6.38 0.01 93.61 0.42 0.36 5.38 93.14 0.69 0.00 0.00 0.01 51 G H H 31.70 4.95 26.23 31.45 91.78 50.66 -64.10 -41.67 14.13 0.02 85.86 0.77 0.71 12.45 85.09 0.95 0.01 0.01 0.02 52 Y H H 51.08 14.45 23.91 38.05 92.08 48.84 -65.54 -42.33 6.71 0.03 93.26 0.69 0.61 5.32 92.26 1.08 0.01 0.01 0.02 53 L H H 6.62 23.97 20.32 43.97 91.71 49.55 -64.65 -43.07 1.87 0.01 98.11 0.41 0.22 1.14 97.59 0.63 0.00 0.01 0.00 54 T H H 45.67 9.80 23.71 33.89 91.59 50.60 -63.92 -42.27 0.85 0.00 99.15 0.17 0.08 0.50 98.97 0.27 0.00 0.00 0.00 55 S H H 45.67 5.32 24.32 29.97 91.78 50.10 -64.14 -41.79 0.93 0.00 99.07 0.13 0.07 0.63 98.84 0.32 0.00 0.00 0.00 56 L H H 17.15 18.12 19.66 37.85 91.97 49.80 -64.83 -42.57 0.94 0.00 99.06 0.12 0.07 0.65 98.75 0.41 0.00 0.00 0.00 57 Y H H 46.13 17.20 18.92 35.66 91.95 51.22 -63.78 -41.72 1.25 0.00 98.75 0.20 0.11 0.79 98.36 0.53 0.00 0.00 0.00 58 K H H 115.57 3.30 22.11 25.25 91.83 51.18 -64.52 -40.43 2.80 0.02 97.18 0.46 0.24 1.88 96.48 0.93 0.00 0.01 0.01 59 K H H 82.39 7.52 18.85 27.23 92.50 49.71 -66.61 -39.92 5.40 0.07 94.54 1.08 0.57 3.50 93.34 1.43 0.01 0.04 0.02 60 I H H 30.97 16.91 13.91 30.75 93.00 50.16 -67.26 -37.17 9.58 0.33 90.09 2.83 1.36 5.38 88.06 2.06 0.04 0.19 0.10 61 L H H 88.05 7.85 15.89 24.64 93.15 53.32 -70.33 -27.75 21.98 0.65 77.37 5.97 2.84 12.99 75.41 2.15 0.05 0.34 0.25 62 K H H 141.98 2.12 15.95 18.11 97.52 51.35 -85.48 -10.48 42.63 0.70 56.66 7.98 8.01 25.90 55.52 1.90 0.07 0.30 0.33 63 G C S 35.61 7.62 13.32 22.02 119.08 -67.29 66.05 176.34 85.33 1.39 13.28 32.36 33.93 18.86 11.05 2.54 0.01 0.65 0.60 64 T C C 84.23 5.22 15.29 21.50 106.56 -38.13 -79.38 105.27 80.17 4.16 15.67 54.91 14.68 10.23 11.58 4.60 0.00 2.56 1.44 65 Y C C 91.78 13.46 10.98 24.16 113.32 88.71 -96.28 122.79 72.68 9.62 17.71 52.71 11.47 7.86 13.81 4.79 0.02 5.78 3.55 66 N C C 96.22 5.95 15.49 22.59 110.75 -165.32 -95.65 106.22 73.99 7.06 18.95 50.01 13.61 9.64 15.05 4.98 0.01 5.09 1.60 67 K C C 122.16 6.43 15.25 22.74 106.32 -16.39 -84.47 73.04 63.71 10.22 26.07 37.44 15.89 10.39 20.28 6.37 0.07 7.66 1.90 68 V C C 58.75 12.40 12.62 25.44 114.37 142.06 -98.19 127.45 53.86 14.65 31.48 38.88 8.67 5.80 25.79 6.14 0.05 12.69 1.99 69 Y C C 109.98 8.24 15.52 24.76 117.27 -156.99 -99.35 135.63 49.86 16.74 33.39 37.70 6.62 5.06 27.74 5.87 0.05 14.84 2.12 70 I H H 69.74 11.73 12.67 24.86 111.28 -150.02 -94.30 119.49 42.87 13.64 43.49 30.87 7.01 5.51 37.07 5.87 0.06 11.75 1.84 71 K C H 115.53 5.32 15.07 21.44 109.47 -136.24 -85.98 119.88 47.98 8.83 43.19 34.98 6.87 6.21 37.56 5.57 0.03 7.43 1.34 72 S C H 55.55 7.31 12.63 21.15 103.23 54.66 -78.37 13.84 52.03 3.65 44.32 35.10 8.98 8.30 38.40 5.86 0.02 2.46 0.88 73 H C H 99.69 6.63 12.01 20.00 99.85 57.06 -79.26 -17.75 51.95 1.76 46.29 32.99 9.81 9.31 41.17 5.14 0.01 1.00 0.56 74 E H H 104.59 4.56 12.46 18.46 98.36 65.71 -71.31 -32.68 46.81 1.12 52.07 27.59 9.97 9.78 45.51 6.16 0.01 0.59 0.40 75 E H H 108.27 3.74 12.56 17.50 97.56 56.01 -71.88 -31.79 44.85 1.08 54.07 26.06 8.71 10.59 47.20 6.46 0.01 0.58 0.39 76 E H H 97.78 5.66 11.30 18.50 98.38 57.50 -73.71 -31.04 44.76 1.18 54.06 28.16 7.28 9.82 47.07 6.59 0.01 0.62 0.45 77 R H H 125.72 5.51 11.25 18.24 99.67 61.82 -74.72 -28.10 44.89 1.25 53.86 26.78 8.35 10.51 46.13 7.07 0.02 0.65 0.49 78 E C H 121.21 3.26 12.19 16.65 99.88 64.22 -77.38 -21.26 50.37 1.52 48.11 27.80 10.15 13.06 40.34 7.23 0.02 0.78 0.61 79 R C C 132.24 5.29 10.91 17.68 104.56 64.67 -85.81 19.29 60.97 1.58 37.45 35.86 11.52 13.66 30.09 7.34 0.02 0.76 0.75 80 K C C 112.04 6.36 10.90 18.65 105.78 98.81 -84.06 59.12 66.57 1.69 31.74 44.29 8.76 13.10 19.95 12.15 0.00 0.87 0.87 81 E C T 126.92 4.31 12.26 18.03 102.60 118.19 -80.28 3.41 73.47 1.43 25.10 23.17 13.99 36.53 13.17 11.64 0.01 0.75 0.74 82 N C T 99.72 5.50 13.42 20.09 102.80 53.91 -92.27 37.79 79.58 2.64 17.78 27.49 15.93 37.22 7.40 9.42 0.01 1.57 0.96 83 V C C 65.21 9.62 12.30 23.28 116.70 129.69 -98.63 130.14 77.50 17.49 5.02 56.19 16.92 3.42 3.54 1.88 0.02 7.75 10.28 84 I C C 75.69 9.81 13.28 24.42 117.06 -156.67 -102.02 127.57 88.65 9.78 1.56 76.94 10.82 0.94 1.37 0.43 0.00 7.40 2.11 85 P C C 58.34 9.91 12.76 23.99 112.86 -114.77 -66.05 148.61 85.11 6.98 7.91 75.70 5.52 3.77 5.37 2.58 0.00 5.28 1.78 86 K C C 143.60 3.95 14.32 19.74 98.84 -126.03 -74.61 -21.55 65.44 3.36 31.19 33.99 20.64 11.61 20.37 10.26 0.03 1.79 1.29 87 E C C 112.97 5.40 13.50 20.20 113.43 48.42 -97.70 129.45 54.33 5.15 40.52 30.28 13.99 10.96 25.23 14.80 0.06 3.23 1.45 88 S C C 53.27 9.99 11.91 22.52 111.60 -149.18 -84.47 138.98 51.88 5.51 42.61 37.90 6.61 7.41 25.04 17.81 0.01 4.00 1.21 89 M H C 101.09 7.83 13.46 22.18 98.25 -138.12 -75.67 -18.25 45.98 6.73 47.29 28.31 8.69 9.51 28.16 18.97 0.06 4.73 1.57 90 L C C 83.70 9.36 12.01 22.12 103.96 77.45 -80.36 5.86 49.58 7.07 43.34 27.60 10.69 12.01 25.80 17.24 0.09 4.80 1.77 91 D C C 98.22 4.56 14.16 19.95 102.05 67.77 -85.74 15.92 62.10 5.07 32.83 40.66 9.18 11.89 20.14 13.27 0.02 3.42 1.42 92 V C C 73.59 10.09 10.95 21.64 110.15 94.43 -97.12 76.76 69.44 4.94 25.62 42.65 14.36 12.57 17.27 8.55 0.03 3.11 1.46 93 D C C 105.92 3.64 15.22 19.88 101.29 71.53 -85.32 -0.87 75.33 6.18 18.49 43.08 17.18 15.18 11.38 7.26 0.03 4.60 1.30 94 C C C 68.89 8.60 14.00 23.51 118.05 54.56 -106.52 129.95 71.38 16.78 11.84 47.61 14.63 9.16 6.23 5.38 0.01 15.07 1.89 95 V C C 47.26 15.04 11.86 26.98 119.48 -156.26 -107.52 130.03 56.56 39.13 4.31 47.56 5.94 2.07 2.67 1.87 0.00 37.28 2.59 96 E E E 124.00 4.00 19.51 24.63 116.92 -149.21 -99.90 129.42 39.19 57.48 3.33 34.21 3.13 1.22 2.47 1.21 0.00 51.78 5.97 97 V C C 36.98 18.38 9.54 26.83 124.88 -170.34 -116.09 143.62 65.32 33.65 1.03 60.03 4.65 0.55 0.83 0.33 0.00 28.92 4.69 98 D C C 69.92 4.84 15.75 21.61 116.44 -106.27 -71.12 155.93 98.74 0.93 0.34 98.07 0.81 0.13 0.27 0.03 0.00 0.58 0.11 99 D H H 110.32 2.41 14.35 17.95 91.81 -112.28 -59.69 -36.45 4.25 0.02 95.73 0.80 0.57 2.55 95.23 0.83 0.00 0.01 0.00 100 V H H 89.77 2.85 16.79 19.82 92.36 51.89 -65.45 -40.50 3.34 0.02 96.64 0.42 0.30 2.43 95.82 1.01 0.01 0.01 0.01 101 T H H 25.00 14.29 14.11 29.16 92.37 48.46 -66.12 -41.08 2.35 0.03 97.62 0.51 0.22 1.50 96.58 1.15 0.01 0.02 0.01 102 M H H 52.61 11.85 15.09 27.85 91.42 52.13 -63.03 -41.64 0.95 0.01 99.03 0.29 0.11 0.45 98.80 0.34 0.00 0.01 0.00 103 E H H 102.22 2.16 20.55 21.55 91.59 51.00 -63.84 -41.21 0.84 0.01 99.15 0.20 0.06 0.47 98.94 0.31 0.00 0.01 0.00 104 M H H 55.84 8.13 17.59 27.07 91.88 50.59 -64.38 -42.23 0.83 0.01 99.15 0.13 0.06 0.54 98.72 0.54 0.00 0.01 0.00 105 I H H 18.28 17.55 13.12 31.19 92.14 50.15 -64.78 -41.51 1.13 0.02 98.85 0.20 0.09 0.72 97.97 1.00 0.00 0.01 0.00 106 K H H 121.75 4.56 16.45 22.34 91.77 51.81 -63.93 -39.85 3.41 0.02 96.56 0.42 0.21 2.59 94.38 2.38 0.00 0.01 0.00 107 R H H 161.39 2.03 16.22 18.41 90.70 54.67 -65.17 -28.86 14.60 0.03 85.37 0.64 0.58 13.68 82.56 2.49 0.02 0.01 0.02 108 Y C T 90.09 10.67 12.84 24.54 94.53 51.70 -89.24 1.69 69.77 0.10 30.12 1.09 2.44 65.63 28.18 2.52 0.01 0.04 0.09 109 G C T 53.94 2.25 18.02 20.36 95.76 -109.01 78.56 18.53 98.58 0.09 1.32 6.98 3.25 88.62 0.79 0.28 0.00 0.04 0.03 110 Y C C 60.23 16.11 9.36 24.94 110.35 135.14 -94.44 106.91 93.64 1.25 5.12 84.34 4.40 5.06 1.63 3.23 0.00 0.62 0.71 111 E C C 129.32 4.03 15.14 20.67 109.91 -169.12 -95.70 112.15 86.80 2.52 10.69 53.43 12.59 20.48 2.10 8.87 0.00 1.34 1.18 112 G C C 45.06 5.22 15.66 22.00 119.60 58.54 -105.28 -168.79 87.38 2.14 10.48 30.42 26.59 30.07 1.06 9.93 0.00 1.16 0.76 113 N C C 102.50 5.68 16.66 23.33 107.86 -37.50 -92.30 84.88 86.75 4.20 9.06 47.55 21.25 17.46 0.98 8.99 0.00 2.91 0.87 114 F C C 59.20 17.59 10.95 27.70 117.30 148.66 -95.16 133.26 77.95 19.53 2.51 66.13 8.56 2.79 0.56 2.04 0.00 18.23 1.68 115 K C C 120.22 5.26 19.48 25.96 119.05 -155.62 -105.00 131.57 51.96 46.47 1.57 47.08 3.03 1.44 0.57 0.99 0.00 43.86 3.03 116 V E E 60.05 15.21 12.38 27.29 117.09 -152.79 -101.82 129.02 43.38 54.70 1.92 37.64 3.68 1.75 0.85 1.19 0.00 51.34 3.56 117 Y C E 120.36 7.14 13.84 22.42 121.05 -170.41 -112.82 139.15 54.93 42.90 2.17 38.17 8.93 8.74 0.63 1.55 0.01 39.65 2.32 118 G C C 50.89 3.81 13.67 18.89 112.78 5.65 95.86 -168.92 77.01 22.06 0.93 59.99 5.91 9.82 0.19 0.73 0.00 21.67 1.69 119 M C C 110.32 7.93 12.49 21.36 110.57 -75.24 -91.60 123.49 99.49 0.50 0.01 99.53 0.09 0.02 0.00 0.00 0.00 0.32 0.02