#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ylq n GLY -1 N 0.00 0.16 0.22 0.00 0.00 -1.26 -4.86 105.19 99.45 1ylq n GLY -1 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1ylq n GLY -1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ylq h HIS 0 N 0.00 0.91 -0.74 1.61 -0.00 -2.06 -3.13 115.15 111.73 1ylq h HIS 0 Ca 0.00 -0.32 0.08 0.00 -0.00 0.00 0.00 60.37 60.13 1ylq h HIS 0 Cb 0.64 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.83 1ylq h HIS 0 CO 0.40 1.10 0.49 0.52 -0.00 0.00 0.00 177.93 180.44 1ylq h MET 1 N 0.46 0.71 -0.86 2.45 0.00 -1.99 0.06 114.93 115.75 1ylq h MET 1 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 59.70 59.68 1ylq h MET 1 Cb 1.03 -0.16 -0.04 0.00 0.00 0.00 0.00 31.60 32.43 1ylq h MET 1 CO 0.10 0.47 0.55 -0.22 0.00 0.00 0.00 176.91 177.81 1ylq h LYS 2 N 0.73 1.14 -0.32 1.72 3.64 -1.96 -1.63 116.57 119.89 1ylq h LYS 2 Ca 0.33 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 1ylq h LYS 2 Cb 0.34 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1ylq h LYS 2 CO -0.12 0.77 -0.25 1.49 -2.27 0.00 0.00 179.45 179.07 1ylq h GLU 3 N 1.17 0.74 -0.41 1.90 4.81 -1.11 -1.70 114.58 119.99 1ylq h GLU 3 Ca 0.31 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1ylq h GLU 3 Cb -0.11 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1ylq h GLU 3 CO -0.06 0.98 0.22 0.82 -0.73 0.00 0.00 179.01 180.24 1ylq h ILE 4 N 0.51 1.01 -0.47 2.32 2.04 -0.85 -0.44 117.51 121.63 1ylq h ILE 4 Ca 0.06 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 1ylq h ILE 4 Cb 0.82 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1ylq h ILE 4 CO 0.07 0.08 -0.15 0.50 0.00 0.00 0.00 178.15 178.65 1ylq h LYS 5 N 0.45 0.90 -0.21 2.37 3.64 -1.18 -1.68 116.57 120.87 1ylq h LYS 5 Ca 0.17 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 1ylq h LYS 5 Cb 0.04 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1ylq h LYS 5 CO -0.10 0.99 -0.14 1.05 -2.27 0.00 0.00 179.45 178.98 1ylq h GLU 6 N 0.80 0.46 -0.61 1.90 -0.00 -1.02 -1.16 114.58 114.95 1ylq h GLU 6 Ca 0.12 -0.22 0.03 0.00 -0.00 0.00 0.00 59.36 59.28 1ylq h GLU 6 Cb 0.69 -0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.40 1ylq h GLU 6 CO 0.05 0.77 0.38 0.82 -0.00 0.00 0.00 179.01 181.03 1ylq h ILE 7 N 0.15 1.08 0.08 -1.06 1.08 -1.03 -2.11 117.51 115.71 1ylq h ILE 7 Ca 0.04 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1ylq h ILE 7 Cb 0.66 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1ylq h ILE 7 CO 0.04 0.14 -0.04 0.74 -0.69 0.00 0.00 178.15 178.34 1ylq h THR 8 N 0.75 1.03 0.00 -0.27 2.02 -1.20 -2.96 112.91 112.27 1ylq h THR 8 Ca 0.24 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1ylq h THR 8 Cb 0.01 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1ylq h THR 8 CO -0.10 0.10 -0.27 0.11 0.37 0.00 0.00 175.52 175.73 1ylq h LYS 9 N -0.29 0.00 -0.10 6.66 1.79 -1.14 0.50 116.57 123.99 1ylq h LYS 9 Ca -0.01 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 1ylq h LYS 9 Cb 0.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1ylq h LYS 9 CO 0.02 0.27 -0.42 -0.22 -1.08 0.00 0.00 179.45 178.02 1ylq h LYS 10 N 0.00 0.22 0.03 3.15 3.64 -1.24 -3.24 116.57 119.13 1ylq h LYS 10 Ca -0.00 -0.11 -0.33 0.00 -1.27 0.00 0.00 60.65 58.94 1ylq h LYS 10 Cb 0.65 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1ylq h LYS 10 CO 0.03 0.61 -1.83 -3.47 -2.27 0.00 0.00 179.45 172.52 1ylq n ASP 11 N -4.02 1.96 -3.65 4.20 -0.08 -0.80 -4.83 116.55 109.33 1ylq n ASP 11 Ca -0.02 0.30 -0.29 0.00 -1.51 0.00 0.00 54.79 53.27 1ylq n ASP 11 Cb 0.48 -0.86 -0.13 0.00 2.34 0.00 0.00 41.12 42.95 1ylq n ASP 11 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ylq s VAL 12 N -2.46 1.00 0.42 5.18 1.01 0.17 -5.00 120.40 120.72 1ylq s VAL 12 Ca -0.30 -2.18 0.08 0.00 0.00 0.00 0.00 61.98 59.58 1ylq s VAL 12 Cb 0.08 -1.71 0.26 0.00 0.00 0.00 0.00 36.38 35.02 1ylq s VAL 12 CO 0.61 -0.89 2.07 0.06 0.00 0.00 0.00 175.10 176.95 1ylq h GLN 13 N 6.99 0.49 -0.14 2.72 -0.00 -1.75 -2.44 115.11 120.98 1ylq h GLN 13 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1ylq h GLN 13 Cb 0.95 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.32 1ylq h GLN 13 CO 0.42 0.33 0.00 -0.40 -0.00 0.00 0.00 178.83 179.18 1ylq n ASP 14 N -4.48 1.54 -4.77 0.06 5.68 -1.26 -4.94 116.55 108.38 1ylq n ASP 14 Ca 0.03 -1.67 -0.36 0.00 -0.50 0.00 0.00 54.79 52.28 1ylq n ASP 14 Cb 0.06 -0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 39.95 1ylq n ASP 14 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ylq s ALA 15 N -1.82 2.86 0.02 2.12 0.00 -0.92 -4.89 121.76 119.13 1ylq s ALA 15 Ca 0.32 0.88 0.05 0.00 0.00 0.00 0.00 51.96 53.21 1ylq s ALA 15 Cb 0.17 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1ylq s ALA 15 CO 0.26 -0.68 -0.12 -1.21 0.00 0.00 0.00 175.76 174.02 1ylq s GLU 16 N -2.94 2.34 -0.08 0.00 0.41 -0.48 -4.91 118.70 113.05 1ylq s GLU 16 Ca 0.67 -0.84 0.05 0.00 -0.41 0.00 0.00 54.97 54.44 1ylq s GLU 16 Cb -0.26 -2.36 -0.01 0.00 -1.78 0.00 0.00 34.13 29.72 1ylq s GLU 16 CO 0.31 0.57 -0.23 0.42 -0.49 0.00 0.00 175.26 175.84 1ylq s ILE 17 N -0.97 2.22 0.01 -1.63 1.01 -1.26 -0.72 121.20 119.85 1ylq s ILE 17 Ca 0.16 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1ylq s ILE 17 Cb -0.11 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1ylq s ILE 17 CO 0.07 0.56 -0.18 -0.31 0.00 0.00 0.00 174.94 175.08 1ylq s TYR 18 N -0.01 1.59 -0.11 3.97 2.02 -0.34 -0.38 117.35 124.09 1ylq s TYR 18 Ca -0.08 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 1ylq s TYR 18 Cb -0.15 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 1ylq s TYR 18 CO 0.05 0.01 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.47 1ylq s LEU 19 N -0.67 3.20 0.00 -1.29 1.43 0.10 -0.38 118.68 121.08 1ylq s LEU 19 Ca 0.06 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1ylq s LEU 19 Cb -0.07 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1ylq s LEU 19 CO 0.00 0.26 0.00 0.00 0.23 0.00 0.00 176.35 176.84 1ylq n TYR 20 N 2.92 0.00 -0.36 0.29 4.11 -0.38 -1.24 117.16 122.50 1ylq n TYR 20 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1ylq n TYR 20 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1ylq n TYR 20 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ylq n GLY 21 N 0.00 -2.06 0.31 -7.48 0.00 -1.26 0.07 105.19 94.77 1ylq n GLY 21 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 43.94 1ylq n GLY 21 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ylq h SER 22 N 0.00 1.03 -0.31 1.61 4.64 -0.52 -1.51 113.55 118.48 1ylq h SER 22 Ca 0.00 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1ylq h SER 22 Cb 0.00 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.80 1ylq h SER 22 CO 0.00 0.99 0.19 0.58 -0.87 0.00 0.00 176.83 177.72 1ylq h VAL 23 N 1.02 1.10 -0.20 0.95 2.07 -1.76 0.17 116.25 119.59 1ylq h VAL 23 Ca 0.22 -0.22 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 1ylq h VAL 23 Cb 0.36 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1ylq h VAL 23 CO 0.00 0.10 -0.64 0.58 0.02 0.00 0.00 177.57 177.63 1ylq h VAL 24 N 0.41 1.29 0.00 2.57 2.07 -1.78 -3.31 116.25 117.50 1ylq h VAL 24 Ca 0.11 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1ylq h VAL 24 Cb -0.01 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1ylq h VAL 24 CO -0.02 0.59 -0.75 -0.62 0.02 0.00 0.00 177.57 176.79 1ylq n GLU 25 N -4.02 0.16 -1.11 1.57 1.02 -0.58 -4.93 120.64 112.75 1ylq n GLU 25 Ca -0.06 0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.06 1ylq n GLU 25 Cb 0.67 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 30.51 1ylq n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ylq n GLY 26 N 1.42 0.66 3.30 0.62 0.00 0.59 -4.93 105.19 106.85 1ylq n GLY 26 Ca 0.04 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1ylq n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ylq s ASP 27 N -2.68 5.83 0.00 1.61 -1.08 -1.10 -4.88 116.67 114.38 1ylq s ASP 27 Ca 0.00 -1.51 0.14 0.00 -0.52 0.00 0.00 52.55 50.66 1ylq s ASP 27 Cb 0.00 -2.06 0.24 0.00 -1.46 0.00 0.00 42.92 39.63 1ylq s ASP 27 CO 0.00 -0.61 1.12 -1.22 0.52 0.00 0.00 175.17 174.98 1ylq n TYR 28 N 5.02 0.26 -0.10 -5.34 4.01 -1.26 -4.17 117.16 115.58 1ylq n TYR 28 Ca -0.11 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 1ylq n TYR 28 Cb 0.43 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1ylq n TYR 28 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1ylq n SER 29 N 0.80 1.77 -0.24 7.72 7.64 -1.26 -4.59 113.62 125.46 1ylq n SER 29 Ca 0.11 -1.87 0.08 0.00 1.01 0.00 0.00 58.87 58.21 1ylq n SER 29 Cb 0.41 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.74 1ylq n SER 29 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ylq n ILE 30 N -0.43 1.69 -2.30 0.44 5.41 -1.26 -5.01 119.36 117.89 1ylq n ILE 30 Ca 0.00 -2.15 -0.17 0.00 1.00 0.00 0.00 62.75 61.43 1ylq n ILE 30 Cb 0.27 -0.13 -0.01 0.00 -0.71 0.00 0.00 39.64 39.06 1ylq n ILE 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ylq n GLY 31 N -1.18 -0.28 3.76 7.39 0.00 -1.26 -4.99 105.19 108.63 1ylq n GLY 31 Ca 0.14 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1ylq n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ylq s LEU 32 N -4.76 3.35 0.58 0.99 1.43 -1.26 -5.01 118.68 114.01 1ylq s LEU 32 Ca 0.00 2.09 -0.19 0.00 -1.03 0.00 0.00 54.13 54.99 1ylq s LEU 32 Cb 0.00 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 1ylq s LEU 32 CO 0.00 -1.82 1.02 -0.24 0.23 0.00 0.00 176.35 175.54 1ylq n SER 33 N -2.55 1.05 0.18 2.29 2.88 -1.26 -4.62 113.62 111.59 1ylq n SER 33 Ca 0.11 0.84 -0.14 0.00 -1.33 0.00 0.00 58.87 58.35 1ylq n SER 33 Cb 0.52 -1.41 -0.07 0.00 -0.75 0.00 0.00 64.21 62.50 1ylq n SER 33 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1ylq h ASP 34 N 0.67 -0.74 -3.32 -3.46 3.32 -1.93 0.46 116.42 111.43 1ylq h ASP 34 Ca -0.48 0.07 -0.53 0.00 0.02 0.00 0.00 57.03 56.11 1ylq h ASP 34 Cb 1.35 0.25 -0.39 0.00 0.22 0.00 0.00 39.33 40.77 1ylq h ASP 34 CO 0.52 -0.39 -0.78 -0.63 -1.72 0.00 0.00 179.24 176.24 1ylq s ILE 35 N -6.06 0.79 0.10 0.35 1.01 -1.21 -2.38 121.20 113.81 1ylq s ILE 35 Ca -0.16 -0.54 -0.24 0.00 0.00 0.00 0.00 60.65 59.72 1ylq s ILE 35 Cb 0.06 -1.11 -0.07 0.00 0.01 0.00 0.00 42.46 41.36 1ylq s ILE 35 CO 0.64 -0.01 0.71 -1.81 0.00 0.00 0.00 174.94 174.47 1ylq s ASP 36 N 1.76 7.24 -0.24 3.58 1.01 0.11 -1.10 116.67 129.03 1ylq s ASP 36 Ca 0.00 1.47 0.01 0.00 0.71 0.00 0.00 52.55 54.74 1ylq s ASP 36 Cb -0.16 -2.45 0.06 0.00 1.01 0.00 0.00 42.92 41.38 1ylq s ASP 36 CO -0.07 0.17 -0.05 -0.69 0.21 0.00 0.00 175.17 174.74 1ylq s VAL 37 N -0.78 1.50 -0.18 -1.27 1.01 0.08 -1.25 120.40 119.51 1ylq s VAL 37 Ca 0.35 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1ylq s VAL 37 Cb -0.21 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1ylq s VAL 37 CO 0.23 -0.12 0.36 0.00 0.00 0.00 0.00 175.10 175.58 1ylq s ALA 38 N 1.40 3.56 -0.27 5.51 0.00 0.49 -0.88 121.76 131.58 1ylq s ALA 38 Ca -0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1ylq s ALA 38 Cb -0.19 -2.55 0.04 0.00 0.00 0.00 0.00 23.12 20.42 1ylq s ALA 38 CO -0.06 -0.14 -0.03 0.42 0.00 0.00 0.00 175.76 175.95 1ylq s ILE 39 N 0.96 2.96 -0.15 0.00 1.01 0.23 -1.19 121.20 125.02 1ylq s ILE 39 Ca 0.19 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1ylq s ILE 39 Cb -0.14 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.75 1ylq s ILE 39 CO 0.07 0.06 -0.19 -0.69 0.00 0.00 0.00 174.94 174.19 1ylq s VAL 40 N 1.30 1.88 -0.16 2.92 1.01 0.10 -1.28 120.40 126.17 1ylq s VAL 40 Ca -0.02 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 1ylq s VAL 40 Cb -0.18 -1.70 0.09 0.00 0.00 0.00 0.00 36.38 34.59 1ylq s VAL 40 CO -0.03 0.51 0.79 -0.55 0.00 0.00 0.00 175.10 175.83 1ylq s SER 41 N 1.08 -0.61 0.00 3.32 0.15 -0.22 -1.38 113.70 116.05 1ylq s SER 41 Ca -0.02 0.88 0.13 0.00 0.70 0.00 0.00 55.95 57.64 1ylq s SER 41 Cb -0.14 0.79 0.60 0.00 -1.71 0.00 0.00 66.02 65.55 1ylq s SER 41 CO -0.06 -0.41 1.38 0.47 1.20 0.00 0.00 173.24 175.82 1ylq n ASP 42 N 1.52 0.00 0.17 5.45 8.00 -1.26 -1.76 116.55 128.66 1ylq n ASP 42 Ca -0.15 0.33 0.14 0.00 0.71 0.00 0.00 54.79 55.82 1ylq n ASP 42 Cb 0.56 -0.41 0.71 0.00 -0.02 0.00 0.00 41.12 41.96 1ylq n ASP 42 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ylq h VAL 43 N 0.00 0.79 0.00 2.53 2.07 -1.95 -1.63 116.25 118.06 1ylq h VAL 43 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ylq h VAL 43 Cb 0.18 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1ylq h VAL 43 CO 0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 1ylq n PHE 44 N -4.32 0.00 0.31 1.57 3.72 -0.72 -2.31 117.46 115.70 1ylq n PHE 44 Ca 0.02 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.61 1ylq n PHE 44 Cb 0.30 0.00 0.92 0.00 -0.94 0.00 0.00 39.48 39.77 1ylq n PHE 44 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1ylq h GLU 45 N 0.00 0.00 -5.26 -1.08 5.08 -1.49 -3.38 114.58 108.46 1ylq h GLU 45 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1ylq h GLU 45 Cb 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.09 1ylq h GLU 45 CO 0.00 0.00 0.02 0.34 -1.00 0.00 0.00 179.01 178.37 1ylq s ASP 46 N -5.19 6.30 0.49 1.42 -1.08 -0.98 -4.91 116.67 112.72 1ylq s ASP 46 Ca -0.02 -0.36 0.19 0.00 -0.52 0.00 0.00 52.55 51.85 1ylq s ASP 46 Cb 0.11 -2.29 1.23 0.00 -1.46 0.00 0.00 42.92 40.50 1ylq s ASP 46 CO 0.44 -0.68 2.01 -0.09 0.52 0.00 0.00 175.17 177.36 1ylq h ARG 47 N 8.76 0.17 -0.59 4.34 2.43 -1.89 -1.39 114.38 126.21 1ylq h ARG 47 Ca -0.26 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.81 1ylq h ARG 47 Cb 1.10 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1ylq h ARG 47 CO 0.85 0.11 0.02 -0.91 -1.51 0.00 0.00 179.97 178.53 1ylq h ASN 48 N 0.17 0.99 -0.49 -3.80 2.35 -1.92 -1.28 115.58 111.60 1ylq h ASN 48 Ca 0.24 -0.26 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 1ylq h ASN 48 Cb 0.70 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1ylq h ASN 48 CO -0.04 1.03 -0.14 -0.09 -1.65 0.00 0.00 177.43 176.55 1ylq h ARG 49 N 0.94 0.98 -0.51 0.81 9.65 -1.60 -1.80 114.38 122.86 1ylq h ARG 49 Ca 0.17 -0.37 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 1ylq h ARG 49 Cb 0.51 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 1ylq h ARG 49 CO 0.02 1.05 0.29 -0.22 2.80 0.00 0.00 179.97 183.91 1ylq h LYS 50 N 0.87 0.70 0.01 0.20 3.64 -1.14 -1.39 116.57 119.46 1ylq h LYS 50 Ca 0.13 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1ylq h LYS 50 Cb 0.69 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1ylq h LYS 50 CO 0.05 0.54 -0.00 1.25 -2.27 0.00 0.00 179.45 179.01 1ylq h LEU 51 N 0.68 -0.01 -0.59 5.20 5.85 -1.19 0.20 115.31 125.45 1ylq h LEU 51 Ca 0.18 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1ylq h LEU 51 Cb 0.03 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.96 1ylq h LEU 51 CO -0.03 0.31 -0.47 -0.08 -0.34 0.00 0.00 178.44 177.83 1ylq h GLU 52 N -0.32 -0.23 -0.24 1.25 4.22 -1.32 -0.37 114.58 117.57 1ylq h GLU 52 Ca -0.00 0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.36 1ylq h GLU 52 Cb 0.32 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ylq h GLU 52 CO 0.00 -0.15 -0.22 0.35 -2.18 0.00 0.00 179.01 176.80 1ylq h PHE 53 N -0.24 0.69 -0.65 0.92 3.57 -1.10 -2.22 116.94 117.91 1ylq h PHE 53 Ca 0.16 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.51 1ylq h PHE 53 Cb 0.56 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1ylq h PHE 53 CO -0.74 0.90 0.37 0.35 -2.23 0.00 0.00 178.31 176.96 1ylq h PHE 54 N 0.28 0.69 -0.77 0.41 3.57 -0.44 -0.22 116.94 120.46 1ylq h PHE 54 Ca 0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1ylq h PHE 54 Cb 0.78 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1ylq h PHE 54 CO 0.07 0.35 0.35 0.78 -2.23 0.00 0.00 178.31 177.63 1ylq h GLY 55 N 0.70 1.20 0.90 2.40 0.00 -0.99 -0.54 103.07 106.74 1ylq h GLY 55 Ca 0.28 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1ylq h GLY 55 CO -0.16 0.58 -0.09 1.70 0.00 0.00 0.00 176.54 178.58 1ylq h LYS 56 N 1.09 -0.24 -0.23 4.80 3.64 -0.99 -2.29 116.57 122.34 1ylq h LYS 56 Ca 0.26 0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.46 1ylq h LYS 56 Cb 0.15 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1ylq h LYS 56 CO -0.03 -0.08 -0.63 0.97 -2.27 0.00 0.00 179.45 177.41 1ylq h ILE 57 N -0.36 1.28 -0.07 2.00 6.09 -0.96 -2.45 117.51 123.05 1ylq h ILE 57 Ca -0.03 -1.83 -0.14 0.00 -1.37 0.00 0.00 64.86 61.50 1ylq h ILE 57 Cb 0.28 1.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 1ylq h ILE 57 CO 0.04 0.59 -0.58 0.71 -3.07 0.00 0.00 178.15 175.84 1ylq h THR 58 N 0.61 1.38 -0.63 2.19 1.35 -1.16 -2.19 112.91 114.46 1ylq h THR 58 Ca -0.01 -1.94 -0.01 0.00 -0.55 0.00 0.00 66.41 63.90 1ylq h THR 58 Cb 1.25 1.98 -0.03 0.00 -1.73 0.00 0.00 68.15 69.62 1ylq h THR 58 CO 0.14 0.57 0.37 0.50 -0.25 0.00 0.00 175.52 176.84 1ylq h LYS 59 N 0.16 0.87 -0.36 4.72 3.64 -1.36 -2.00 116.57 122.24 1ylq h LYS 59 Ca -0.00 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1ylq h LYS 59 Cb 1.07 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1ylq h LYS 59 CO 0.09 0.64 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.61 1ylq h LYS 60 N 0.86 0.60 -0.60 1.90 1.63 -1.26 -3.31 116.57 116.40 1ylq h LYS 60 Ca 0.23 -0.17 -0.42 0.00 -0.85 0.00 0.00 60.65 59.44 1ylq h LYS 60 Cb 0.00 -0.07 -0.28 0.00 -0.60 0.00 0.00 32.23 31.28 1ylq h LYS 60 CO -0.04 0.68 -0.37 1.19 -3.45 0.00 0.00 179.45 177.45 1ylq n PHE 61 N -4.21 2.10 -2.09 1.91 3.72 -0.84 -5.06 117.46 112.99 1ylq n PHE 61 Ca 0.01 -2.11 -0.39 0.00 -0.05 0.00 0.00 57.45 54.91 1ylq n PHE 61 Cb 0.31 -0.52 -0.00 0.00 -0.94 0.00 0.00 39.48 38.32 1ylq n PHE 61 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1ylq s PHE 62 N -3.51 2.80 -1.24 1.38 5.36 -0.78 -3.14 117.98 118.86 1ylq s PHE 62 Ca 0.50 1.45 -0.03 0.00 -0.96 0.00 0.00 56.93 57.89 1ylq s PHE 62 Cb 0.42 -3.60 -0.01 0.00 -0.34 0.00 0.00 43.02 39.49 1ylq s PHE 62 CO 0.01 -1.98 0.79 -3.47 -1.46 0.00 0.00 175.22 169.11 1ylq n ASP 63 N -0.10 -2.45 -4.46 6.13 2.03 -1.26 -4.99 116.55 111.44 1ylq n ASP 63 Ca 0.05 -0.79 -0.26 0.00 0.52 0.00 0.00 54.79 54.31 1ylq n ASP 63 Cb 0.45 -4.33 -0.10 0.00 -0.72 0.00 0.00 41.12 36.42 1ylq n ASP 63 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ylq s SER 64 N -4.15 3.05 0.00 1.67 1.04 -1.19 -5.04 113.70 109.09 1ylq s SER 64 Ca 0.11 -1.49 0.26 0.00 0.48 0.00 0.00 55.95 55.32 1ylq s SER 64 Cb -0.03 0.08 1.22 0.00 0.10 0.00 0.00 66.02 67.40 1ylq s SER 64 CO 0.79 -0.69 1.87 -0.81 0.98 0.00 0.00 173.24 175.38 1ylq n PRO 65 N -0.89 0.18 -2.51 4.02 -0.04 -1.26 -4.82 135.00 129.69 1ylq n PRO 65 Ca -0.06 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.03 1ylq n PRO 65 Cb 0.66 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 1ylq n PRO 65 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ylq s PHE 66 N -2.79 3.59 -0.20 0.54 0.08 -1.26 -3.30 117.98 114.64 1ylq s PHE 66 Ca 0.19 1.61 0.01 0.00 0.12 0.00 0.00 56.93 58.85 1ylq s PHE 66 Cb 0.17 -3.28 0.02 0.00 -0.57 0.00 0.00 43.02 39.37 1ylq s PHE 66 CO 0.44 -0.61 -0.17 -2.00 -0.10 0.00 0.00 175.22 172.79 1ylq s GLU 67 N -0.50 2.89 -0.05 0.44 2.12 -0.26 -5.01 118.70 118.33 1ylq s GLU 67 Ca 0.49 -0.91 -0.11 0.00 0.36 0.00 0.00 54.97 54.80 1ylq s GLU 67 Cb -0.30 -2.68 -0.05 0.00 0.26 0.00 0.00 34.13 31.37 1ylq s GLU 67 CO 0.36 -0.28 0.29 -0.06 -0.54 0.00 0.00 175.26 175.03 1ylq s PHE 68 N 1.28 3.67 -0.16 5.30 0.08 -1.26 -0.74 117.98 126.14 1ylq s PHE 68 Ca 0.03 0.79 -0.01 0.00 0.12 0.00 0.00 56.93 57.86 1ylq s PHE 68 Cb -0.14 -2.14 0.04 0.00 -0.57 0.00 0.00 43.02 40.21 1ylq s PHE 68 CO -0.11 0.68 -0.05 -1.01 -0.10 0.00 0.00 175.22 174.64 1ylq s HIS 69 N -1.04 1.66 -0.38 0.36 3.76 -0.05 -4.94 115.29 114.66 1ylq s HIS 69 Ca 0.20 -1.05 -0.13 0.00 -0.15 0.00 0.00 55.06 53.92 1ylq s HIS 69 Cb -0.15 -1.30 0.01 0.00 1.11 0.00 0.00 32.58 32.26 1ylq s HIS 69 CO 0.09 -0.61 0.26 0.42 -0.85 0.00 0.00 174.74 174.05 1ylq s ILE 70 N 1.65 5.08 0.06 0.60 -1.09 -1.26 -0.60 121.20 125.64 1ylq s ILE 70 Ca 0.01 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 57.88 1ylq s ILE 70 Cb -0.15 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1ylq s ILE 70 CO -0.08 -0.21 -0.13 -0.76 -1.23 0.00 0.00 174.94 172.53 1ylq s LEU 71 N 1.66 2.24 0.92 2.97 1.43 -0.40 -4.99 118.68 122.51 1ylq s LEU 71 Ca 0.05 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1ylq s LEU 71 Cb -0.19 -0.47 0.14 0.00 0.03 0.00 0.00 46.19 45.70 1ylq s LEU 71 CO 0.09 -0.06 1.13 0.42 0.23 0.00 0.00 176.35 178.16 1ylq s THR 72 N -1.14 2.01 0.20 5.49 -4.23 -1.25 -1.06 115.64 115.66 1ylq s THR 72 Ca -0.02 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 1ylq s THR 72 Cb -0.09 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 71.15 1ylq s THR 72 CO 0.02 -0.00 1.82 0.11 -0.54 0.00 0.00 174.62 176.02 1ylq h LYS 73 N -1.53 0.98 -0.58 3.99 1.57 -1.92 -1.13 116.57 117.94 1ylq h LYS 73 Ca -0.51 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.17 1ylq h LYS 73 Cb 1.33 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1ylq h LYS 73 CO 0.62 0.72 0.38 -0.22 -0.57 0.00 0.00 179.45 180.38 1ylq h LYS 74 N 0.97 0.75 -0.64 3.15 3.64 -1.97 -0.42 116.57 122.06 1ylq h LYS 74 Ca 0.25 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1ylq h LYS 74 Cb 0.02 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1ylq h LYS 74 CO -0.04 0.50 0.34 0.93 -2.27 0.00 0.00 179.45 178.91 1ylq h GLU 75 N 0.77 0.90 -0.62 1.90 5.08 -1.87 -1.38 114.58 119.36 1ylq h GLU 75 Ca 0.22 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1ylq h GLU 75 Cb -0.07 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1ylq h GLU 75 CO -0.06 0.68 0.17 2.35 -1.00 0.00 0.00 179.01 181.15 1ylq h TRP 76 N 0.87 1.02 -0.40 4.33 -0.00 -0.95 0.36 115.95 121.19 1ylq h TRP 76 Ca 0.22 -0.11 0.07 0.00 -0.00 0.00 0.00 58.89 59.06 1ylq h TRP 76 Cb 0.05 -0.29 -0.06 0.00 -0.00 0.00 0.00 29.16 28.87 1ylq h TRP 76 CO -0.01 0.85 0.05 -0.22 -0.00 0.00 0.00 178.44 179.12 1ylq h LYS 77 N 0.90 0.17 -0.51 2.65 3.64 -0.83 -1.18 116.57 121.41 1ylq h LYS 77 Ca 0.20 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1ylq h LYS 77 Cb 0.33 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1ylq h LYS 77 CO -0.00 0.11 0.25 1.98 -2.27 0.00 0.00 179.45 179.52 1ylq h MET 78 N 0.17 0.73 -0.96 1.90 4.05 -1.00 -3.05 114.93 116.77 1ylq h MET 78 Ca 0.19 -0.10 0.08 0.00 -0.28 0.00 0.00 59.70 59.59 1ylq h MET 78 Cb 0.25 -0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 30.84 1ylq h MET 78 CO -0.27 0.60 0.60 0.77 0.23 0.00 0.00 176.91 178.84 1ylq h SER 79 N 0.67 0.95 -0.07 1.39 0.02 -0.06 -2.46 113.55 113.99 1ylq h SER 79 Ca 0.17 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1ylq h SER 79 Cb 0.11 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1ylq h SER 79 CO -0.02 0.58 0.10 0.11 -1.14 0.00 0.00 176.83 176.46 1ylq h LYS 80 N 1.07 0.00 -0.05 3.45 1.57 -1.13 -1.35 116.57 120.13 1ylq h LYS 80 Ca 0.43 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.22 1ylq h LYS 80 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ylq h LYS 80 CO -0.19 0.00 0.19 0.00 -0.57 0.00 0.00 179.45 178.87 1ylq h ARG 81 N 0.00 0.00 -0.11 3.15 3.08 -1.52 -2.42 114.38 116.56 1ylq h ARG 81 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ylq h ARG 81 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1ylq h ARG 81 CO -0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 1ylq n PHE 82 N -3.17 0.17 -4.43 3.04 3.72 -0.51 -4.99 117.46 111.29 1ylq n PHE 82 Ca -0.01 -0.56 -0.33 0.00 -0.05 0.00 0.00 57.45 56.49 1ylq n PHE 82 Cb 0.26 -0.06 -0.16 0.00 -0.94 0.00 0.00 39.48 38.58 1ylq n PHE 82 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1ylq s ILE 83 N -1.25 2.47 0.07 4.37 1.01 -0.91 -5.01 121.20 121.96 1ylq s ILE 83 Ca 0.11 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 1ylq s ILE 83 Cb 0.07 -2.04 -0.11 0.00 0.01 0.00 0.00 42.46 40.39 1ylq s ILE 83 CO 0.05 0.52 1.38 -0.09 0.00 0.00 0.00 174.94 176.80 1ylq h ARG 84 N 7.49 0.55 -2.27 2.79 2.43 -1.94 -3.46 114.38 119.98 1ylq h ARG 84 Ca -0.36 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 58.45 1ylq h ARG 84 Cb 1.18 0.01 -0.22 0.00 -0.42 0.00 0.00 29.97 30.52 1ylq h ARG 84 CO 0.58 0.88 -0.01 0.21 -1.51 0.00 0.00 179.97 180.12 1ylq s LYS 85 N -4.32 0.70 0.16 0.20 2.20 -1.26 -5.13 119.74 112.29 1ylq s LYS 85 Ca -0.13 0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 56.33 1ylq s LYS 85 Cb 0.07 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 1ylq s LYS 85 CO 0.80 -0.09 0.07 1.52 -0.36 0.00 0.00 175.35 177.29 1ylq s TYR 86 N 0.42 1.01 -0.07 4.03 1.13 -1.26 -4.64 117.35 117.98 1ylq s TYR 86 Ca -0.01 -1.25 0.01 0.00 -1.41 0.00 0.00 57.07 54.41 1ylq s TYR 86 Cb -0.04 -0.55 0.02 0.00 -1.10 0.00 0.00 41.96 40.29 1ylq s TYR 86 CO -0.01 -0.51 -0.08 0.50 -2.51 0.00 0.00 175.55 172.94 1ylq s ARG 87 N -4.07 1.30 -0.04 -3.49 6.06 -0.37 -4.95 118.95 113.39 1ylq s ARG 87 Ca 0.29 -0.24 -0.30 0.00 -2.50 0.00 0.00 55.73 52.98 1ylq s ARG 87 Cb 0.07 -1.23 -0.05 0.00 0.06 0.00 0.00 34.95 33.81 1ylq s ARG 87 CO 0.05 -0.10 1.39 0.50 -2.50 0.00 0.00 175.30 174.65 1ylq s ARG 88 N 1.07 4.27 -0.32 5.12 3.52 -1.26 0.03 118.95 131.38 1ylq s ARG 88 Ca -0.08 1.92 -0.28 0.00 -0.13 0.00 0.00 55.73 57.16 1ylq s ARG 88 Cb -0.14 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 1ylq s ARG 88 CO -0.01 -0.63 1.91 -1.17 -0.81 0.00 0.00 175.30 174.60 1ylq s LEU 89 N 2.81 3.48 0.00 -0.88 2.96 0.49 -4.94 118.68 122.59 1ylq s LEU 89 Ca 0.63 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.93 1ylq s LEU 89 Cb -0.29 -3.45 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1ylq s LEU 89 CO 0.24 -1.82 0.00 0.47 -1.32 0.00 0.00 176.35 173.93