#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yl3 s THR 2 N 0.00 0.13 0.00 2.03 -4.23 -1.26 -5.06 115.64 107.25 1yl3 s THR 2 Ca 0.00 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1yl3 s THR 2 Cb 0.00 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.34 1yl3 s THR 2 CO 0.00 -0.59 0.86 -0.38 -0.54 0.00 0.00 174.62 173.97 1yl3 n ILE 3 N -0.08 0.00 -0.37 2.99 5.41 -1.26 -0.89 119.36 125.16 1yl3 n ILE 3 Ca -0.13 1.36 0.32 0.00 1.00 0.00 0.00 62.75 65.31 1yl3 n ILE 3 Cb 0.62 -2.10 0.59 0.00 -0.71 0.00 0.00 39.64 38.05 1yl3 n ILE 3 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1yl3 h ASP 4 N 0.00 0.33 0.94 4.38 5.19 -1.99 0.85 116.42 126.12 1yl3 h ASP 4 Ca 0.00 0.20 -0.05 0.00 -0.62 0.00 0.00 57.03 56.56 1yl3 h ASP 4 Cb 0.00 0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.71 1yl3 h ASP 4 CO 0.00 -0.28 -0.46 -0.33 -3.12 0.00 0.00 179.24 175.04 1yl3 h GLU 5 N 0.09 -1.23 -0.95 3.56 5.08 -1.72 0.11 114.58 119.52 1yl3 h GLU 5 Ca 0.82 0.08 0.29 0.00 -1.00 0.00 0.00 59.36 59.55 1yl3 h GLU 5 Cb 2.28 0.28 -0.15 0.00 0.50 0.00 0.00 28.75 31.66 1yl3 h GLU 5 CO -0.61 -0.82 0.38 0.82 -1.00 0.00 0.00 179.01 177.78 1yl3 h ILE 6 N -1.28 0.25 -0.15 3.13 2.04 0.26 1.00 117.51 122.77 1yl3 h ILE 6 Ca -0.13 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1yl3 h ILE 6 Cb 0.98 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1yl3 h ILE 6 CO 0.21 0.04 0.02 0.40 0.00 0.00 0.00 178.15 178.82 1yl3 h ILE 7 N 0.22 0.93 -0.49 -0.67 2.04 -0.64 -0.33 117.51 118.56 1yl3 h ILE 7 Ca 0.66 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.58 1yl3 h ILE 7 Cb 1.45 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.30 1yl3 h ILE 7 CO -0.67 0.01 0.05 -0.33 0.00 0.00 0.00 178.15 177.21 1yl3 h GLU 8 N 0.08 0.16 0.07 2.37 5.08 0.30 -0.12 114.58 122.52 1yl3 h GLU 8 Ca 0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1yl3 h GLU 8 Cb 0.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1yl3 h GLU 8 CO -0.09 0.11 -0.03 0.00 -1.00 0.00 0.00 179.01 177.99 1yl3 h ALA 9 N 1.41 -0.09 -0.48 3.43 0.00 -0.56 -0.32 119.26 122.64 1yl3 h ALA 9 Ca 0.25 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1yl3 h ALA 9 Cb 0.35 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1yl3 h ALA 9 CO -0.37 -0.49 0.23 0.82 0.00 0.00 0.00 179.25 179.45 1yl3 h ILE 10 N -0.22 0.94 0.16 0.00 2.04 -0.86 -0.15 117.51 119.41 1yl3 h ILE 10 Ca -0.01 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1yl3 h ILE 10 Cb 0.19 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1yl3 h ILE 10 CO 0.02 0.08 -0.25 -0.33 0.00 0.00 0.00 178.15 177.67 1yl3 h GLU 11 N 0.46 -0.42 -0.79 2.37 5.08 -0.83 -3.11 114.58 117.34 1yl3 h GLU 11 Ca 0.21 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1yl3 h GLU 11 Cb 0.14 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1yl3 h GLU 11 CO -0.16 -0.28 0.47 0.87 -1.00 0.00 0.00 179.01 178.91 1yl3 h LYS 12 N -0.43 0.84 -5.52 2.33 1.57 -0.96 -3.42 116.57 110.98 1yl3 h LYS 12 Ca -0.02 -0.05 -0.63 0.00 -1.87 0.00 0.00 60.65 58.08 1yl3 h LYS 12 Cb 0.40 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 1yl3 h LYS 12 CO -0.08 0.56 1.54 1.28 -0.57 0.00 0.00 179.45 182.17 1yl3 n LEU 13 N -4.68 0.61 -4.22 2.94 4.77 -0.08 -4.78 117.00 111.55 1yl3 n LEU 13 Ca 0.11 0.41 -0.36 0.00 -0.03 0.00 0.00 56.01 56.14 1yl3 n LEU 13 Cb 0.17 -0.93 0.05 0.00 -2.33 0.00 0.00 43.42 40.38 1yl3 n LEU 13 CO 0.30 -0.76 -0.68 0.35 -1.33 0.00 0.00 177.39 175.28 1yl3 n THR 14 N 7.03 0.39 -0.45 -5.08 -2.24 -1.26 -3.86 114.28 108.82 1yl3 n THR 14 Ca 0.59 -0.43 0.38 0.00 -2.27 0.00 0.00 64.05 62.33 1yl3 n THR 14 Cb 0.01 -0.26 0.64 0.00 -2.10 0.00 0.00 70.33 68.62 1yl3 n THR 14 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1yl3 n VAL 15 N -2.44 -0.23 -0.03 2.28 0.31 -1.26 0.11 118.33 117.06 1yl3 n VAL 15 Ca 0.04 1.69 -0.13 0.00 -0.01 0.00 0.00 64.34 65.93 1yl3 n VAL 15 Cb 0.52 -2.76 -0.08 0.00 -0.91 0.00 0.00 33.84 30.61 1yl3 n VAL 15 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1yl3 h SER 16 N 0.00 0.18 -0.93 4.52 4.64 -1.94 -0.01 113.55 120.00 1yl3 h SER 16 Ca 0.83 -0.41 0.05 0.00 -0.47 0.00 0.00 61.79 61.78 1yl3 h SER 16 Cb 2.68 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 64.66 1yl3 h SER 16 CO -0.43 0.55 0.60 -0.33 -0.87 0.00 0.00 176.83 176.35 1yl3 h GLU 17 N -0.20 1.09 0.84 4.77 5.08 0.60 -0.10 114.58 126.67 1yl3 h GLU 17 Ca 0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1yl3 h GLU 17 Cb 0.48 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1yl3 h GLU 17 CO 0.01 0.72 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.27 1yl3 h LEU 18 N 1.12 -0.96 -0.04 1.33 3.38 -0.93 0.15 115.31 119.37 1yl3 h LEU 18 Ca 0.39 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.42 1yl3 h LEU 18 Cb 0.09 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1yl3 h LEU 18 CO -0.15 -0.61 -0.37 0.00 0.09 0.00 0.00 178.44 177.40 1yl3 h ALA 19 N -1.23 -0.55 -0.40 1.53 0.00 -0.79 0.01 119.26 117.83 1yl3 h ALA 19 Ca -0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1yl3 h ALA 19 Cb 0.87 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1yl3 h ALA 19 CO 0.19 -0.89 0.15 0.93 0.00 0.00 0.00 179.25 179.63 1yl3 h GLU 20 N -0.51 0.61 -0.31 0.00 5.08 -1.09 -0.49 114.58 117.88 1yl3 h GLU 20 Ca 0.06 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1yl3 h GLU 20 Cb 0.61 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1yl3 h GLU 20 CO -0.32 0.59 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.15 1yl3 h LEU 21 N 0.50 0.47 0.46 1.33 3.38 -0.84 0.39 115.31 120.99 1yl3 h LEU 21 Ca 0.13 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1yl3 h LEU 21 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1yl3 h LEU 21 CO -0.01 0.58 -0.30 0.58 0.09 0.00 0.00 178.44 179.38 1yl3 h VAL 22 N 0.47 0.38 -0.28 1.22 2.07 -0.53 0.45 116.25 120.04 1yl3 h VAL 22 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1yl3 h VAL 22 Cb 0.39 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 1yl3 h VAL 22 CO 0.02 0.00 -0.44 0.11 0.02 0.00 0.00 177.57 177.27 1yl3 h LYS 23 N -0.73 -0.34 0.00 1.57 1.57 -0.46 -0.61 116.57 117.57 1yl3 h LYS 23 Ca -0.05 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1yl3 h LYS 23 Cb 0.61 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1yl3 h LYS 23 CO 0.04 -0.23 0.00 1.63 -0.57 0.00 0.00 179.45 180.32 1yl3 n LYS 24 N -4.83 0.00 -0.32 3.15 5.02 0.07 -0.78 118.16 120.46 1yl3 n LYS 24 Ca -0.03 0.57 0.19 0.00 -2.02 0.00 0.00 58.31 57.01 1yl3 n LYS 24 Cb 0.28 -1.32 0.44 0.00 -0.02 0.00 0.00 35.03 34.41 1yl3 n LYS 24 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1yl3 h LEU 25 N 0.00 0.57 -0.01 -0.35 3.38 -0.94 2.09 115.31 120.06 1yl3 h LEU 25 Ca 0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1yl3 h LEU 25 Cb 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1yl3 h LEU 25 CO 0.00 0.15 -0.09 -0.33 0.09 0.00 0.00 178.44 178.26 1yl3 h GLU 26 N 0.52 -0.14 0.00 1.13 5.08 -0.87 1.01 114.58 121.31 1yl3 h GLU 26 Ca 0.58 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1yl3 h GLU 26 Cb 1.26 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1yl3 h GLU 26 CO -0.33 -0.10 0.40 -0.44 -1.00 0.00 0.00 179.01 177.54 1yl3 h ASP 27 N -0.15 0.00 0.35 1.42 5.19 0.54 3.82 116.42 127.59 1yl3 h ASP 27 Ca 0.04 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.13 1yl3 h ASP 27 Cb 0.20 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.67 1yl3 h ASP 27 CO -0.10 0.00 -1.85 0.29 -3.12 0.00 0.00 179.24 174.46 1yl3 n LYS 28 N -2.01 0.67 -0.50 3.56 5.02 0.33 -4.60 118.16 120.63 1yl3 n LYS 28 Ca -0.01 0.27 0.05 0.00 -2.02 0.00 0.00 58.31 56.60 1yl3 n LYS 28 Cb 0.42 -1.75 0.10 0.00 -0.02 0.00 0.00 35.03 33.78 1yl3 n LYS 28 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1yl3 n PHE 29 N -3.15 0.00 -1.19 2.13 3.01 0.68 -5.05 117.46 113.90 1yl3 n PHE 29 Ca -0.23 -0.73 0.04 0.00 1.01 0.00 0.00 57.45 57.54 1yl3 n PHE 29 Cb 1.06 -0.14 -0.02 0.00 -0.01 0.00 0.00 39.48 40.37 1yl3 n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yl3 n GLY 30 N -0.68 -1.94 1.27 1.37 0.00 1.11 0.20 105.19 106.52 1yl3 n GLY 30 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1yl3 n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1yl3 n VAL 31 N -2.89 0.50 0.06 1.61 0.31 -1.26 -0.96 118.33 115.71 1yl3 n VAL 31 Ca -0.02 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1yl3 n VAL 31 Cb 0.30 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 1yl3 n VAL 31 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1yl3 n THR 32 N 1.15 0.00 0.21 2.52 -2.24 -1.26 -4.88 114.28 109.78 1yl3 n THR 32 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1yl3 n THR 32 Cb 0.19 -0.07 0.70 0.00 -2.10 0.00 0.00 70.33 69.05 1yl3 n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yl3 h ALA 33 N 0.00 2.02 -1.64 6.98 0.00 -1.44 -3.42 119.26 121.76 1yl3 h ALA 33 Ca 0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1yl3 h ALA 33 Cb 0.00 0.01 0.13 0.00 0.00 0.00 0.00 17.79 17.93 1yl3 h ALA 33 CO 0.00 -0.14 0.29 0.00 0.00 0.00 0.00 179.25 179.40 1yl3 s ALA 34 N -4.97 2.85 0.00 0.00 0.00 0.53 -4.95 121.76 115.21 1yl3 s ALA 34 Ca -0.05 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1yl3 s ALA 34 Cb 0.17 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1yl3 s ALA 34 CO 0.66 -2.11 0.00 0.00 0.00 0.00 0.00 175.76 174.31 1yl3 n ALA 35 N -3.42 0.00 -0.36 0.00 0.00 -1.26 -4.90 120.51 110.57 1yl3 n ALA 35 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1yl3 n ALA 35 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1yl3 n ALA 35 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yl3 n PRO 36 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -1.74 135.00 131.98 1yl3 n PRO 36 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1yl3 n PRO 36 Cb 0.00 -0.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 1yl3 n PRO 36 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1yl3 n VAL 37 N -1.28 0.00 0.02 -1.45 0.31 -1.26 -2.30 118.33 112.37 1yl3 n VAL 37 Ca 0.00 1.40 -0.07 0.00 -0.01 0.00 0.00 64.34 65.66 1yl3 n VAL 37 Cb 0.00 -2.30 0.10 0.00 -0.91 0.00 0.00 33.84 30.73 1yl3 n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yl3 h ALA 38 N -1.83 0.83 0.24 3.52 0.00 -1.90 -1.02 119.26 119.09 1yl3 h ALA 38 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1yl3 h ALA 38 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1yl3 h ALA 38 CO 0.00 0.66 -0.22 0.28 0.00 0.00 0.00 179.25 179.97 1yl3 h VAL 39 N 0.40 0.53 -0.18 0.00 2.07 -1.48 0.10 116.25 117.69 1yl3 h VAL 39 Ca 0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1yl3 h VAL 39 Cb 0.98 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1yl3 h VAL 39 CO 0.09 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.45 1yl3 h ALA 40 N 0.22 1.28 -0.95 1.67 0.00 -1.50 -1.74 119.26 118.24 1yl3 h ALA 40 Ca -0.01 -0.30 0.29 0.00 0.00 0.00 0.00 54.91 54.89 1yl3 h ALA 40 Cb 0.44 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 17.95 1yl3 h ALA 40 CO -0.04 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.82 1yl3 n ALA 41 N -2.48 0.59 -0.01 0.00 0.00 -0.39 -0.47 120.51 117.75 1yl3 n ALA 41 Ca -0.01 1.00 -0.02 0.00 0.00 0.00 0.00 53.44 54.42 1yl3 n ALA 41 Cb 0.36 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 1yl3 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yl3 h ALA 42 N 1.89 -0.47 -0.98 0.00 0.00 -0.08 0.77 119.26 120.40 1yl3 h ALA 42 Ca 0.62 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.86 1yl3 h ALA 42 Cb 1.39 0.67 -0.16 0.00 0.00 0.00 0.00 17.79 19.68 1yl3 h ALA 42 CO -0.86 -0.50 0.44 -1.35 0.00 0.00 0.00 179.25 176.99 1yl3 h PRO 43 N -0.08 0.16 0.04 0.00 0.11 -0.88 0.82 132.00 132.17 1yl3 h PRO 43 Ca 0.01 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.13 1yl3 h PRO 43 Cb 0.10 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.12 1yl3 h PRO 43 CO -0.07 0.10 -0.47 0.28 -0.21 0.00 0.00 178.00 177.63 1yl3 h VAL 44 N 0.16 0.08 -0.99 3.15 2.07 0.28 0.18 116.25 121.19 1yl3 h VAL 44 Ca 0.73 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.53 1yl3 h VAL 44 Cb 1.73 0.08 -0.14 0.00 -1.52 0.00 0.00 31.29 31.45 1yl3 h VAL 44 CO -0.71 0.00 0.55 0.00 0.02 0.00 0.00 177.57 177.43 1yl3 h ALA 45 N -0.25 1.80 0.12 1.67 0.00 0.26 0.56 119.26 123.43 1yl3 h ALA 45 Ca 0.03 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1yl3 h ALA 45 Cb 0.70 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1yl3 h ALA 45 CO -0.31 -0.42 -0.23 0.78 0.00 0.00 0.00 179.25 179.07 1yl3 h GLY 46 N 0.43 -0.44 0.36 0.00 0.00 0.99 0.26 103.07 104.67 1yl3 h GLY 46 Ca 0.67 0.27 0.06 0.00 0.00 0.00 0.00 47.33 48.33 1yl3 h GLY 46 CO -0.55 -0.21 -0.13 0.00 0.00 0.00 0.00 176.54 175.66 1yl3 h ALA 47 N 0.33 0.07 -0.14 3.60 0.00 0.15 -0.62 119.26 122.65 1yl3 h ALA 47 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yl3 h ALA 47 Cb 0.46 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1yl3 h ALA 47 CO -0.13 -0.54 0.01 0.00 0.00 0.00 0.00 179.25 178.60 1yl3 h ALA 48 N 1.10 0.13 -0.18 0.00 0.00 -0.80 0.01 119.26 119.52 1yl3 h ALA 48 Ca 0.13 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1yl3 h ALA 48 Cb 0.30 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1yl3 h ALA 48 CO -0.31 -0.43 -0.32 0.00 0.00 0.00 0.00 179.25 178.19 1yl3 h ALA 49 N 1.11 -0.33 -0.45 0.00 0.00 -0.59 0.25 119.26 119.24 1yl3 h ALA 49 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1yl3 h ALA 49 Cb 0.06 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 1yl3 h ALA 49 CO -0.09 -0.78 -0.40 0.78 0.00 0.00 0.00 179.25 178.76 1yl3 h GLY 50 N -0.36 -0.43 -0.98 0.00 0.00 -0.68 0.20 103.07 100.82 1yl3 h GLY 50 Ca 0.11 0.51 0.17 0.00 0.00 0.00 0.00 47.33 48.12 1yl3 h GLY 50 CO -0.38 -0.19 -0.32 0.00 0.00 0.00 0.00 176.54 175.64 1yl3 n ALA 51 N -3.08 0.03 -0.16 3.60 0.00 0.65 0.19 120.51 121.75 1yl3 n ALA 51 Ca 0.01 1.02 -0.02 0.00 0.00 0.00 0.00 53.44 54.45 1yl3 n ALA 51 Cb 0.35 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.33 1yl3 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yl3 h ALA 52 N 1.61 0.48 0.19 0.00 0.00 0.14 -0.51 119.26 121.17 1yl3 h ALA 52 Ca 0.40 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 1yl3 h ALA 52 Cb 0.64 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1yl3 h ALA 52 CO -0.99 -0.38 -0.29 1.96 0.00 0.00 0.00 179.25 179.56 1yl3 h GLN 53 N 0.13 -0.48 -0.79 0.00 4.20 0.37 -0.52 115.11 118.02 1yl3 h GLN 53 Ca 0.25 0.03 0.15 0.00 0.06 0.00 0.00 58.65 59.15 1yl3 h GLN 53 Cb 0.37 0.11 -0.10 0.00 0.30 0.00 0.00 27.48 28.16 1yl3 h GLN 53 CO -0.40 -0.32 0.33 0.93 -0.67 0.00 0.00 178.83 178.70 1yl3 h GLU 54 N -0.50 0.45 0.06 1.46 5.08 -0.80 -3.20 114.58 117.14 1yl3 h GLU 54 Ca -0.02 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1yl3 h GLU 54 Cb 0.46 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1yl3 h GLU 54 CO -0.09 0.30 -0.03 0.93 -1.00 0.00 0.00 179.01 179.12 1yl3 h GLU 55 N 0.47 -0.08 0.00 2.33 5.08 -0.94 -3.49 114.58 117.95 1yl3 h GLU 55 Ca 0.44 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1yl3 h GLU 55 Cb 0.69 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1yl3 h GLU 55 CO -0.41 -0.05 0.00 1.63 -1.00 0.00 0.00 179.01 179.17 1yl3 n LYS 56 N -2.28 0.00 -1.57 2.33 5.02 -0.22 -5.03 118.16 116.41 1yl3 n LYS 56 Ca -0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.97 1yl3 n LYS 56 Cb 0.03 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.99 1yl3 n LYS 56 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1yl3 n THR 57 N 0.00 4.08 0.00 -0.18 -2.24 -1.16 -4.59 114.28 110.19 1yl3 n THR 57 Ca 0.00 -3.18 0.00 0.00 -2.27 0.00 0.00 64.05 58.60 1yl3 n THR 57 Cb 0.00 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 1yl3 n THR 57 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yl3 n GLU 58 N 1.77 0.00 -4.44 -0.78 1.02 -1.26 -4.82 120.64 112.13 1yl3 n GLU 58 Ca 0.57 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.43 1yl3 n GLU 58 Cb 0.46 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.80 1yl3 n GLU 58 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1yl3 s PHE 59 N -0.55 2.35 -0.17 -0.32 0.40 -0.25 -4.37 117.98 115.07 1yl3 s PHE 59 Ca 0.00 -0.72 -0.01 0.00 -0.60 0.00 0.00 56.93 55.60 1yl3 s PHE 59 Cb 0.00 -1.81 0.05 0.00 0.51 0.00 0.00 43.02 41.76 1yl3 s PHE 59 CO 0.00 0.26 -0.03 -0.51 0.70 0.00 0.00 175.22 175.64 1yl3 s ASP 60 N -3.85 2.82 -0.44 1.36 1.11 -1.26 -1.08 116.67 115.33 1yl3 s ASP 60 Ca 0.31 -0.69 -0.23 0.00 0.18 0.00 0.00 52.55 52.12 1yl3 s ASP 60 Cb 0.05 -0.82 0.02 0.00 1.07 0.00 0.00 42.92 43.25 1yl3 s ASP 60 CO 0.17 -0.22 0.76 -0.69 1.18 0.00 0.00 175.17 176.36 1yl3 s VAL 61 N 1.69 4.69 -0.04 -1.27 1.01 0.02 -0.85 120.40 125.66 1yl3 s VAL 61 Ca 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 1yl3 s VAL 61 Cb -0.16 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1yl3 s VAL 61 CO -0.07 -0.67 0.01 -0.69 0.00 0.00 0.00 175.10 173.68 1yl3 s VAL 62 N 3.18 4.29 -0.23 2.92 1.01 -0.12 0.23 120.40 131.69 1yl3 s VAL 62 Ca 0.29 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 1yl3 s VAL 62 Cb -0.13 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1yl3 s VAL 62 CO 0.21 0.49 0.55 -0.76 0.00 0.00 0.00 175.10 175.59 1yl3 s LEU 63 N -1.23 4.09 0.23 3.92 1.43 0.46 -0.89 118.68 126.69 1yl3 s LEU 63 Ca 0.17 0.63 0.23 0.00 -1.03 0.00 0.00 54.13 54.13 1yl3 s LEU 63 Cb -0.11 -2.73 0.21 0.00 0.03 0.00 0.00 46.19 43.58 1yl3 s LEU 63 CO 0.07 -0.27 1.27 0.11 0.23 0.00 0.00 176.35 177.76 1yl3 h LYS 64 N 7.76 0.00 0.00 1.70 1.57 -1.05 -1.70 116.57 124.85 1yl3 h LYS 64 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1yl3 h LYS 64 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1yl3 h LYS 64 CO 0.74 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.49 1yl3 n SER 65 N -2.58 0.00 -4.45 0.86 3.41 -1.19 -4.05 113.62 105.62 1yl3 n SER 65 Ca 0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.32 1yl3 n SER 65 Cb 0.51 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.33 1yl3 n SER 65 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1yl3 s PHE 66 N -2.00 2.54 -0.11 7.33 0.40 -1.26 -0.97 117.98 123.91 1yl3 s PHE 66 Ca 0.00 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1yl3 s PHE 66 Cb 0.00 -1.47 0.06 0.00 0.51 0.00 0.00 43.02 42.12 1yl3 s PHE 66 CO 0.00 0.23 0.19 0.20 0.70 0.00 0.00 175.22 176.54 1yl3 s GLY 67 N -1.36 0.01 -1.54 4.36 0.00 -0.10 -4.89 107.32 103.80 1yl3 s GLY 67 Ca 0.14 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1yl3 s GLY 67 CO 0.05 1.80 0.00 -1.06 0.00 0.00 0.00 173.10 173.88 1yl3 n GLN 68 N 5.33 -1.53 -2.56 2.90 6.02 -1.26 -4.69 117.38 121.58 1yl3 n GLN 68 Ca -0.05 0.95 -0.02 0.00 -0.01 0.00 0.00 57.00 57.87 1yl3 n GLN 68 Cb 0.50 -5.28 0.11 0.00 1.02 0.00 0.00 30.24 26.59 1yl3 n GLN 68 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1yl3 n ASN 69 N -0.98 -1.36 -0.34 1.08 3.02 -1.26 -4.99 115.26 110.43 1yl3 n ASN 69 Ca -0.15 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 1yl3 n ASN 69 Cb 0.57 0.65 0.16 0.00 -0.61 0.00 0.00 39.78 40.56 1yl3 n ASN 69 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1yl3 h LYS 70 N 0.98 1.19 0.00 3.52 1.57 -1.85 -0.62 116.57 121.36 1yl3 h LYS 70 Ca -0.39 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1yl3 h LYS 70 Cb 1.27 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1yl3 h LYS 70 CO -0.16 0.79 0.00 -0.89 -0.57 0.00 0.00 179.45 178.61 1yl3 n ILE 71 N -4.43 0.00 -0.21 1.86 5.41 -1.26 -0.84 119.36 119.88 1yl3 n ILE 71 Ca 0.13 1.40 0.02 0.00 1.00 0.00 0.00 62.75 65.29 1yl3 n ILE 71 Cb 0.08 -2.29 0.12 0.00 -0.71 0.00 0.00 39.64 36.85 1yl3 n ILE 71 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1yl3 h GLN 72 N 0.00 0.16 -0.45 0.38 3.07 -1.81 -0.56 115.11 115.90 1yl3 h GLN 72 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1yl3 h GLN 72 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.50 1yl3 h GLN 72 CO 0.00 0.11 0.29 0.28 0.09 0.00 0.00 178.83 179.60 1yl3 h VAL 73 N 0.17 1.12 -0.92 1.86 2.07 -1.07 -0.19 116.25 119.29 1yl3 h VAL 73 Ca 0.34 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1yl3 h VAL 73 Cb 0.56 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1yl3 h VAL 73 CO -0.51 0.12 0.60 0.40 0.02 0.00 0.00 177.57 178.20 1yl3 h ILE 74 N 0.61 1.12 -0.24 4.57 2.04 -0.18 0.45 117.51 125.89 1yl3 h ILE 74 Ca 0.17 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1yl3 h ILE 74 Cb -0.05 -0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 35.88 1yl3 h ILE 74 CO -0.03 0.20 -0.14 0.11 0.00 0.00 0.00 178.15 178.29 1yl3 h LYS 75 N 1.11 -0.12 -0.02 2.37 1.57 0.44 -0.18 116.57 121.75 1yl3 h LYS 75 Ca 0.38 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.19 1yl3 h LYS 75 Cb 0.08 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1yl3 h LYS 75 CO -0.13 -0.08 -0.17 0.28 -0.57 0.00 0.00 179.45 178.79 1yl3 h VAL 76 N -0.12 0.59 -0.39 0.50 2.07 0.50 -0.81 116.25 118.59 1yl3 h VAL 76 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1yl3 h VAL 76 Cb 0.32 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1yl3 h VAL 76 CO -0.32 0.00 0.19 0.58 0.02 0.00 0.00 177.57 178.04 1yl3 h VAL 77 N -0.26 0.97 0.58 2.57 2.07 -0.71 0.03 116.25 121.50 1yl3 h VAL 77 Ca 0.06 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1yl3 h VAL 77 Cb 0.34 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1yl3 h VAL 77 CO -0.17 0.07 -0.48 0.03 0.02 0.00 0.00 177.57 177.04 1yl3 h ARG 78 N 0.39 -0.99 -0.49 1.57 3.08 -0.87 -0.61 114.38 116.46 1yl3 h ARG 78 Ca 0.17 0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.33 1yl3 h ARG 78 Cb 0.08 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1yl3 h ARG 78 CO -0.12 -0.66 0.25 0.93 -1.07 0.00 0.00 179.97 179.29 1yl3 h GLU 79 N -1.03 0.47 0.01 0.04 5.08 -1.08 0.02 114.58 118.08 1yl3 h GLU 79 Ca -0.07 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1yl3 h GLU 79 Cb 0.87 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 1yl3 h GLU 79 CO -0.00 0.31 -0.28 0.82 -1.00 0.00 0.00 179.01 178.86 1yl3 h ILE 80 N 0.49 0.38 0.00 3.13 2.04 -0.74 -3.31 117.51 119.50 1yl3 h ILE 80 Ca 0.21 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.98 1yl3 h ILE 80 Cb 0.12 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1yl3 h ILE 80 CO -0.15 0.00 -1.78 0.35 0.00 0.00 0.00 178.15 176.58 1yl3 n THR 81 N -5.39 0.58 -1.32 -0.27 -2.24 -0.26 -5.00 114.28 100.38 1yl3 n THR 81 Ca -0.05 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1yl3 n THR 81 Cb 0.30 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1yl3 n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yl3 n GLY 82 N 1.36 0.47 3.46 3.38 0.00 -0.01 -5.07 105.19 108.77 1yl3 n GLY 82 Ca -0.09 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1yl3 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yl3 s LEU 83 N -1.31 3.10 1.03 0.99 1.43 -1.18 -5.08 118.68 117.65 1yl3 s LEU 83 Ca 0.00 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 52.70 1yl3 s LEU 83 Cb 0.00 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 44.41 1yl3 s LEU 83 CO 0.00 0.16 -0.67 0.61 0.23 0.00 0.00 176.35 176.68 1yl3 n GLY 84 N 3.60 -3.08 0.22 -3.19 0.00 -1.26 -4.31 105.19 97.16 1yl3 n GLY 84 Ca -0.18 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 1yl3 n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yl3 h LEU 85 N -1.38 -0.70 -0.06 0.99 3.38 -1.98 0.12 115.31 115.68 1yl3 h LEU 85 Ca -0.45 0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.62 1yl3 h LEU 85 Cb 1.35 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 42.30 1yl3 h LEU 85 CO 0.28 -0.26 -0.49 0.11 0.09 0.00 0.00 178.44 178.18 1yl3 h LYS 86 N -0.35 -0.57 -0.46 1.13 1.57 -2.00 -0.85 116.57 115.03 1yl3 h LYS 86 Ca -0.01 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1yl3 h LYS 86 Cb 0.35 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 32.69 1yl3 h LYS 86 CO -0.12 -0.38 -0.18 0.93 -0.57 0.00 0.00 179.45 179.13 1yl3 h GLU 87 N -0.60 -0.08 -0.19 3.15 5.08 -1.88 -0.47 114.58 119.59 1yl3 h GLU 87 Ca 0.04 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1yl3 h GLU 87 Cb 0.68 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1yl3 h GLU 87 CO -0.38 -0.05 -0.14 0.00 -1.00 0.00 0.00 179.01 177.45 1yl3 h ALA 88 N 1.29 0.01 -0.32 3.43 0.00 -0.56 -0.76 119.26 122.35 1yl3 h ALA 88 Ca 0.22 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1yl3 h ALA 88 Cb 0.42 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1yl3 h ALA 88 CO -0.52 -0.57 0.18 0.87 0.00 0.00 0.00 179.25 179.22 1yl3 h LYS 89 N -0.14 0.37 0.02 0.00 1.57 -0.24 -0.13 116.57 118.02 1yl3 h LYS 89 Ca 0.11 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1yl3 h LYS 89 Cb 0.31 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 1yl3 h LYS 89 CO -0.28 0.24 -0.41 -0.44 -0.57 0.00 0.00 179.45 178.00 1yl3 h ASP 90 N 0.38 -1.23 0.28 0.86 5.19 -0.68 -0.41 116.42 120.81 1yl3 h ASP 90 Ca 0.12 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1yl3 h ASP 90 Cb -0.00 0.48 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 1yl3 h ASP 90 CO -0.06 -0.45 -0.40 -0.07 -3.12 0.00 0.00 179.24 175.14 1yl3 h LEU 91 N -0.58 -1.12 -0.89 1.55 3.38 -1.00 -0.57 115.31 116.09 1yl3 h LEU 91 Ca 0.04 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.28 1yl3 h LEU 91 Cb 0.65 0.40 -0.15 0.00 0.09 0.00 0.00 40.66 41.64 1yl3 h LEU 91 CO -0.30 -0.52 -0.29 0.52 0.09 0.00 0.00 178.44 177.95 1yl3 n VAL 92 N -5.48 -0.42 0.04 1.22 0.31 -0.07 0.23 118.33 114.16 1yl3 n VAL 92 Ca -0.09 2.05 -0.11 0.00 -0.01 0.00 0.00 64.34 66.19 1yl3 n VAL 92 Cb 0.38 -2.77 -0.04 0.00 -0.91 0.00 0.00 33.84 30.50 1yl3 n VAL 92 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1yl3 h GLU 93 N 0.00 -0.24 -1.18 5.55 5.08 -0.20 -0.86 114.58 122.73 1yl3 h GLU 93 Ca 0.36 0.02 0.34 0.00 -1.00 0.00 0.00 59.36 59.07 1yl3 h GLU 93 Cb 0.58 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 1yl3 h GLU 93 CO -0.89 -0.16 0.79 0.87 -1.00 0.00 0.00 179.01 178.62 1yl3 h LYS 94 N -0.25 0.20 -3.87 2.33 1.57 0.44 -3.41 116.57 113.59 1yl3 h LYS 94 Ca 0.06 -0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 58.44 1yl3 h LYS 94 Cb 0.33 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 1yl3 h LYS 94 CO -0.17 0.13 1.37 0.00 -0.57 0.00 0.00 179.45 180.20 1yl3 n ALA 95 N -2.58 0.24 0.00 3.86 0.00 -0.10 -1.05 120.51 120.88 1yl3 n ALA 95 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1yl3 n ALA 95 Cb 1.15 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1yl3 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yl3 n GLY 96 N 5.01 1.16 3.77 0.00 0.00 -0.64 -3.58 105.19 110.91 1yl3 n GLY 96 Ca 0.51 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 1yl3 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yl3 s SER 97 N 0.00 4.42 0.29 1.61 1.04 -0.22 -4.93 113.70 115.90 1yl3 s SER 97 Ca 0.00 1.61 -0.02 0.00 0.48 0.00 0.00 55.95 58.01 1yl3 s SER 97 Cb 0.00 -2.34 0.41 0.00 0.10 0.00 0.00 66.02 64.18 1yl3 s SER 97 CO 0.00 -2.06 1.91 1.55 0.98 0.00 0.00 173.24 175.62 1yl3 h PRO 98 N -1.15 1.02 0.00 4.02 0.13 -1.96 -1.10 132.00 132.97 1yl3 h PRO 98 Ca -0.46 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1yl3 h PRO 98 Cb 1.25 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1yl3 h PRO 98 CO 0.55 0.75 0.00 -0.25 -0.23 0.00 0.00 178.00 178.82 1yl3 n ASP 99 N -4.36 0.00 -1.39 1.44 9.92 -1.26 -4.35 116.55 116.55 1yl3 n ASP 99 Ca 0.07 -1.24 0.00 0.00 -0.53 0.00 0.00 54.79 53.09 1yl3 n ASP 99 Cb 0.10 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 1yl3 n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yl3 n ALA 100 N -0.85 1.56 -2.33 2.24 0.00 -0.42 -4.70 120.51 116.01 1yl3 n ALA 100 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 1yl3 n ALA 100 Cb 0.07 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 1yl3 n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yl3 s VAL 101 N 1.35 3.68 0.52 0.00 1.01 -1.26 0.17 120.40 125.88 1yl3 s VAL 101 Ca 0.00 -0.45 0.31 0.00 0.00 0.00 0.00 61.98 61.85 1yl3 s VAL 101 Cb 0.00 -4.57 0.49 0.00 0.00 0.00 0.00 36.38 32.31 1yl3 s VAL 101 CO 0.00 -1.48 1.86 -0.29 0.00 0.00 0.00 175.10 175.19 1yl3 h ILE 102 N 6.92 0.52 -2.01 2.22 2.10 0.26 -3.36 117.51 124.17 1yl3 h ILE 102 Ca 0.09 -0.02 -0.15 0.00 1.08 0.00 0.00 64.86 65.86 1yl3 h ILE 102 Cb 1.02 0.47 -0.30 0.00 -1.09 0.00 0.00 36.82 36.93 1yl3 h ILE 102 CO 1.32 0.01 -0.48 -0.54 -1.08 0.00 0.00 178.15 177.38 1yl3 s LYS 103 N -5.02 0.33 -0.13 2.19 1.02 -0.27 -4.76 119.74 113.09 1yl3 s LYS 103 Ca -0.05 0.57 -0.03 0.00 0.02 0.00 0.00 55.97 56.48 1yl3 s LYS 103 Cb 0.22 -0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 1yl3 s LYS 103 CO 0.78 -0.60 -0.01 -1.54 -0.92 0.00 0.00 175.35 173.07 1yl3 s SER 104 N 2.54 5.09 0.00 2.83 1.04 -1.26 -0.80 113.70 123.14 1yl3 s SER 104 Ca 0.11 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1yl3 s SER 104 Cb -0.15 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1yl3 s SER 104 CO -0.15 0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1yl3 n GLY 105 N 2.95 0.69 2.92 7.32 0.00 -0.24 -5.01 105.19 113.82 1yl3 n GLY 105 Ca -0.18 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 1yl3 n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yl3 s VAL 106 N -2.40 -0.01 1.23 1.61 1.01 -1.10 -4.96 120.40 115.79 1yl3 s VAL 106 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1yl3 s VAL 106 Cb 0.00 -0.11 0.30 0.00 0.00 0.00 0.00 36.38 36.56 1yl3 s VAL 106 CO 0.00 0.02 1.04 -0.94 0.00 0.00 0.00 175.10 175.21 1yl3 s SER 107 N 0.26 0.59 0.11 3.32 1.04 -1.26 -1.09 113.70 116.66 1yl3 s SER 107 Ca -0.02 0.94 -0.27 0.00 0.48 0.00 0.00 55.95 57.08 1yl3 s SER 107 Cb -0.03 -1.39 -0.09 0.00 0.10 0.00 0.00 66.02 64.61 1yl3 s SER 107 CO -0.01 -4.36 1.64 0.11 0.98 0.00 0.00 173.24 171.60 1yl3 h LYS 108 N -2.74 -0.46 0.68 4.02 1.57 -1.97 0.08 116.57 117.76 1yl3 h LYS 108 Ca -0.50 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1yl3 h LYS 108 Cb 1.32 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1yl3 h LYS 108 CO 0.40 -0.31 -0.45 0.93 -0.57 0.00 0.00 179.45 179.45 1yl3 h GLU 109 N -0.48 -1.04 -0.80 3.15 5.08 -1.99 -0.53 114.58 117.97 1yl3 h GLU 109 Ca 0.02 0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1yl3 h GLU 109 Cb 0.49 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 1yl3 h GLU 109 CO -0.13 -0.69 0.45 0.93 -1.00 0.00 0.00 179.01 178.56 1yl3 h GLU 110 N -1.08 0.74 -0.13 2.33 5.08 -1.91 -0.41 114.58 119.20 1yl3 h GLU 110 Ca -0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1yl3 h GLU 110 Cb 0.88 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1yl3 h GLU 110 CO 0.07 0.49 0.06 0.00 -1.00 0.00 0.00 179.01 178.62 1yl3 h ALA 111 N 1.44 0.17 -0.62 3.43 0.00 -0.87 -0.11 119.26 122.71 1yl3 h ALA 111 Ca 0.38 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.32 1yl3 h ALA 111 Cb 0.35 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1yl3 h ALA 111 CO -0.25 -0.26 0.19 0.93 0.00 0.00 0.00 179.25 179.86 1yl3 h GLU 112 N 0.08 0.33 -0.03 0.00 5.08 -0.62 -0.60 114.58 118.82 1yl3 h GLU 112 Ca 0.05 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1yl3 h GLU 112 Cb 0.13 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1yl3 h GLU 112 CO -0.01 0.22 -0.20 0.93 -1.00 0.00 0.00 179.01 178.95 1yl3 h GLU 113 N 0.34 -0.23 -0.71 2.33 5.08 -0.21 -0.40 114.58 120.78 1yl3 h GLU 113 Ca 0.32 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.83 1yl3 h GLU 113 Cb 0.46 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.63 1yl3 h GLU 113 CO -0.37 -0.15 -0.30 0.82 -1.00 0.00 0.00 179.01 178.01 1yl3 h ILE 114 N -0.23 0.16 -0.47 3.13 2.04 -0.40 0.13 117.51 121.87 1yl3 h ILE 114 Ca 0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.95 1yl3 h ILE 114 Cb 0.26 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.43 1yl3 h ILE 114 CO -0.15 0.00 0.05 0.11 0.00 0.00 0.00 178.15 178.16 1yl3 h LYS 115 N -0.09 0.17 -0.47 2.37 1.57 -0.94 -0.78 116.57 118.39 1yl3 h LYS 115 Ca 0.29 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1yl3 h LYS 115 Cb 0.56 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1yl3 h LYS 115 CO -0.77 0.11 0.26 0.87 -0.57 0.00 0.00 179.45 179.35 1yl3 h LYS 116 N 0.17 0.49 0.06 3.15 1.57 0.93 -0.27 116.57 122.67 1yl3 h LYS 116 Ca 0.24 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1yl3 h LYS 116 Cb 0.33 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1yl3 h LYS 116 CO -0.35 0.33 -0.12 0.87 -0.57 0.00 0.00 179.45 179.61 1yl3 h LYS 117 N 0.51 -0.23 0.29 3.15 1.57 0.15 0.06 116.57 122.07 1yl3 h LYS 117 Ca 0.20 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1yl3 h LYS 117 Cb 0.07 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1yl3 h LYS 117 CO -0.12 -0.15 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.40 1yl3 h LEU 118 N -0.24 -0.33 -0.14 2.94 3.38 -1.10 -0.42 115.31 119.41 1yl3 h LEU 118 Ca 0.03 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1yl3 h LEU 118 Cb 0.26 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1yl3 h LEU 118 CO -0.08 -0.14 -0.16 -0.33 0.09 0.00 0.00 178.44 177.82 1yl3 h GLU 119 N -0.50 -0.10 -0.53 1.13 5.08 -0.94 -0.84 114.58 117.88 1yl3 h GLU 119 Ca -0.04 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1yl3 h GLU 119 Cb 0.37 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.54 1yl3 h GLU 119 CO 0.06 -0.07 -0.36 0.93 -1.00 0.00 0.00 179.01 178.58 1yl3 h GLU 120 N -0.10 -0.20 -1.18 2.33 5.08 -0.96 0.92 114.58 120.47 1yl3 h GLU 120 Ca 0.02 0.01 0.39 0.00 -1.00 0.00 0.00 59.36 58.78 1yl3 h GLU 120 Cb 0.17 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.33 1yl3 h GLU 120 CO -0.18 -0.14 0.73 0.00 -1.00 0.00 0.00 179.01 178.42 1yl3 h ALA 121 N 0.82 2.43 0.00 3.43 0.00 0.09 -3.43 119.26 122.60 1yl3 h ALA 121 Ca 0.20 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1yl3 h ALA 121 Cb 0.56 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1yl3 h ALA 121 CO -0.64 -1.05 0.00 0.41 0.00 0.00 0.00 179.25 177.97 1yl3 n GLY 122 N -1.43 0.32 3.15 0.00 0.00 0.27 -3.43 105.19 104.06 1yl3 n GLY 122 Ca 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 1yl3 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yl3 s ALA 123 N -0.38 0.88 -0.19 4.61 0.00 -0.69 -0.93 121.76 125.07 1yl3 s ALA 123 Ca 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 51.96 50.49 1yl3 s ALA 123 Cb 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1yl3 s ALA 123 CO 0.00 -0.38 0.04 -1.21 0.00 0.00 0.00 175.76 174.22 1yl3 s GLU 124 N -3.95 3.86 0.35 0.00 2.02 -0.15 -2.99 118.70 117.85 1yl3 s GLU 124 Ca 0.17 -0.40 0.09 0.00 0.02 0.00 0.00 54.97 54.85 1yl3 s GLU 124 Cb 0.07 -3.18 -0.07 0.00 0.10 0.00 0.00 34.13 31.06 1yl3 s GLU 124 CO -0.02 0.18 -0.07 0.08 0.02 0.00 0.00 175.26 175.45 1yl3 s VAL 125 N 0.59 2.12 -0.13 2.63 1.01 -1.26 -0.49 120.40 124.87 1yl3 s VAL 125 Ca 0.02 -2.16 -0.12 0.00 0.00 0.00 0.00 61.98 59.72 1yl3 s VAL 125 Cb -0.13 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.58 1yl3 s VAL 125 CO 0.02 -0.17 0.36 -1.83 0.00 0.00 0.00 175.10 173.47 1yl3 s GLU 126 N -3.64 0.41 -0.40 2.72 -1.05 -0.07 -4.83 118.70 111.83 1yl3 s GLU 126 Ca 0.33 0.51 -0.16 0.00 -0.15 0.00 0.00 54.97 55.50 1yl3 s GLU 126 Cb 0.04 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1yl3 s GLU 126 CO 0.16 -0.06 0.38 -0.48 0.95 0.00 0.00 175.26 176.21 1yl3 s LEU 127 N 0.29 4.82 0.00 1.83 2.34 -1.26 -0.94 118.68 125.76 1yl3 s LEU 127 Ca -0.01 -0.63 0.00 0.00 0.06 0.00 0.00 54.13 53.55 1yl3 s LEU 127 Cb -0.03 -2.31 0.00 0.00 -0.56 0.00 0.00 46.19 43.29 1yl3 s LEU 127 CO -0.01 -0.48 0.00 0.29 -1.06 0.00 0.00 176.35 175.09