#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yq4 h SER 3 N 0.00 0.00 -0.58 4.04 4.64 -2.08 -2.96 113.55 116.60 1yq4 h SER 3 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1yq4 h SER 3 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1yq4 h SER 3 CO 0.00 0.33 0.21 0.29 -0.87 0.00 0.00 176.83 176.79 1yq4 n LYS 4 N -4.04 3.25 -0.13 4.77 5.02 -1.26 -4.60 118.16 121.17 1yq4 n LYS 4 Ca -0.02 -2.44 -0.04 0.00 -2.02 0.00 0.00 58.31 53.80 1yq4 n LYS 4 Cb 0.38 -2.04 0.03 0.00 -0.02 0.00 0.00 35.03 33.39 1yq4 n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yq4 h ALA 5 N 2.64 0.37 -0.77 7.82 0.00 -1.95 -0.28 119.26 127.08 1yq4 h ALA 5 Ca 0.20 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1yq4 h ALA 5 Cb 1.99 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.97 1yq4 h ALA 5 CO 0.58 -0.40 0.43 0.00 0.00 0.00 0.00 179.25 179.86 1yq4 h ALA 6 N 1.38 0.99 0.00 0.00 0.00 -1.88 -1.74 119.26 118.01 1yq4 h ALA 6 Ca 0.21 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1yq4 h ALA 6 Cb 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1yq4 h ALA 6 CO -0.36 0.49 -0.59 0.66 0.00 0.00 0.00 179.25 179.45 1yq4 h SER 7 N 1.07 0.00 -0.36 0.00 4.64 -1.84 -2.72 113.55 114.34 1yq4 h SER 7 Ca 0.27 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 1yq4 h SER 7 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1yq4 h SER 7 CO -0.05 0.59 -0.22 -0.07 -0.87 0.00 0.00 176.83 176.22 1yq4 h LEU 8 N 0.00 0.87 -0.06 5.97 3.38 -0.59 -2.17 115.31 122.71 1yq4 h LEU 8 Ca -0.01 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1yq4 h LEU 8 Cb 1.27 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1yq4 h LEU 8 CO 0.08 1.05 0.00 -0.74 0.09 0.00 0.00 178.44 178.92 1yq4 h HIS 9 N 0.74 0.11 -0.54 1.13 2.76 -1.32 -0.16 115.15 117.87 1yq4 h HIS 9 Ca 0.10 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.35 1yq4 h HIS 9 Cb 0.75 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.61 1yq4 h HIS 9 CO 0.04 0.38 0.10 2.35 -1.30 0.00 0.00 177.93 179.50 1yq4 h TRP 10 N -0.19 0.15 0.90 5.26 7.01 -1.35 0.60 115.95 128.33 1yq4 h TRP 10 Ca 0.02 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 1yq4 h TRP 10 Cb 0.33 0.01 0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1yq4 h TRP 10 CO 0.03 -0.03 -0.43 1.15 -2.79 0.00 0.00 178.44 176.37 1yq4 h THR 11 N 0.23 0.11 -0.85 2.65 2.02 -1.26 -2.29 112.91 113.52 1yq4 h THR 11 Ca 0.28 -0.02 0.19 0.00 0.77 0.00 0.00 66.41 67.63 1yq4 h THR 11 Cb 0.39 0.11 -0.12 0.00 -1.74 0.00 0.00 68.15 66.80 1yq4 h THR 11 CO -0.37 0.00 0.35 0.28 0.37 0.00 0.00 175.52 176.16 1yq4 h SER 12 N -1.22 0.30 -0.37 4.18 0.02 -0.24 0.16 113.55 116.38 1yq4 h SER 12 Ca -0.12 0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1yq4 h SER 12 Cb 0.92 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 1yq4 h SER 12 CO 0.20 0.03 0.06 -0.33 -1.14 0.00 0.00 176.83 175.65 1yq4 h GLU 13 N 0.41 0.18 -0.58 3.45 5.08 0.46 0.06 114.58 123.64 1yq4 h GLU 13 Ca 0.51 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.76 1yq4 h GLU 13 Cb 0.92 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1yq4 h GLU 13 CO -0.50 0.12 -0.03 0.00 -1.00 0.00 0.00 179.01 177.60 1yq4 h ARG 14 N 0.18 1.02 -0.55 2.33 -0.00 -0.38 -2.11 114.38 114.88 1yq4 h ARG 14 Ca 0.18 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.98 59.32 1yq4 h ARG 14 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.06 1yq4 h ARG 14 CO -0.24 1.01 0.30 0.00 0.00 0.00 0.00 179.97 181.04 1yq4 h ALA 15 N 1.03 1.50 0.03 0.04 0.00 -0.37 0.12 119.26 121.61 1yq4 h ALA 15 Ca 0.16 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 1yq4 h ALA 15 Cb 0.57 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1yq4 h ALA 15 CO 0.03 0.42 -1.01 0.28 0.00 0.00 0.00 179.25 178.98 1yq4 h VAL 16 N 0.76 1.42 -0.39 0.00 2.07 -0.62 -1.34 116.25 118.16 1yq4 h VAL 16 Ca 0.20 -2.58 -0.03 0.00 0.82 0.00 0.00 66.70 65.10 1yq4 h VAL 16 Cb 0.02 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1yq4 h VAL 16 CO -0.03 0.77 0.11 0.28 0.02 0.00 0.00 177.57 178.71 1yq4 h SER 17 N 0.19 0.58 -0.01 0.57 0.02 -0.85 0.24 113.55 114.28 1yq4 h SER 17 Ca -0.09 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1yq4 h SER 17 Cb 1.66 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 1yq4 h SER 17 CO 0.17 0.65 0.01 0.00 -1.14 0.00 0.00 176.83 176.52 1yq4 h ALA 18 N 0.95 1.98 0.07 3.77 0.00 -0.88 0.17 119.26 125.32 1yq4 h ALA 18 Ca 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1yq4 h ALA 18 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1yq4 h ALA 18 CO -0.00 -0.02 -0.03 1.25 0.00 0.00 0.00 179.25 180.45 1yq4 h LEU 19 N 0.00 -0.08 -1.40 0.00 5.85 0.02 -2.60 115.31 117.09 1yq4 h LEU 19 Ca 0.01 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1yq4 h LEU 19 Cb 0.03 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1yq4 h LEU 19 CO -0.00 0.39 0.03 0.25 -0.34 0.00 0.00 178.44 178.77 1yq4 h LEU 20 N -0.57 0.39 -0.12 2.25 5.85 0.32 -1.66 115.31 121.77 1yq4 h LEU 20 Ca -0.01 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1yq4 h LEU 20 Cb 0.49 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1yq4 h LEU 20 CO 0.02 0.43 0.05 0.25 -0.34 0.00 0.00 178.44 178.84 1yq4 h LEU 21 N 0.41 0.16 -1.71 2.25 5.85 -0.68 -2.73 115.31 118.87 1yq4 h LEU 21 Ca 0.10 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1yq4 h LEU 21 Cb 0.23 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1yq4 h LEU 21 CO 0.00 0.29 -0.16 1.23 -0.34 0.00 0.00 178.44 179.46 1yq4 h GLY 22 N 0.03 0.00 2.00 3.75 0.00 -0.95 -1.94 103.07 105.95 1yq4 h GLY 22 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1yq4 h GLY 22 CO -0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1yq4 h LEU 23 N 0.00 0.00 -0.14 3.11 3.38 -1.02 -2.37 115.31 118.27 1yq4 h LEU 23 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1yq4 h LEU 23 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1yq4 h LEU 23 CO 0.02 0.00 0.01 -0.07 0.09 0.00 0.00 178.44 178.49 1yq4 h LEU 24 N 0.00 0.23 -0.49 1.67 3.38 -1.27 0.17 115.31 119.00 1yq4 h LEU 24 Ca 0.00 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.52 1yq4 h LEU 24 Cb 0.47 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1yq4 h LEU 24 CO 0.00 0.45 -0.60 1.55 0.09 0.00 0.00 178.44 179.94 1yq4 h PRO 25 N 0.00 0.51 0.00 1.13 0.13 -1.66 -3.04 132.00 129.07 1yq4 h PRO 25 Ca 0.04 -0.35 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 1yq4 h PRO 25 Cb 0.33 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1yq4 h PRO 25 CO 0.00 0.96 -0.20 0.00 -0.23 0.00 0.00 178.00 178.53 1yq4 h ALA 26 N 0.96 1.54 0.00 -0.56 0.00 -1.25 -1.30 119.26 118.65 1yq4 h ALA 26 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1yq4 h ALA 26 Cb 1.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1yq4 h ALA 26 CO 0.11 0.25 -0.17 0.00 0.00 0.00 0.00 179.25 179.44 1yq4 h ALA 27 N 1.80 0.90 0.00 0.00 0.00 -0.54 -0.17 119.26 121.25 1yq4 h ALA 27 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1yq4 h ALA 27 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1yq4 h ALA 27 CO 0.03 0.21 -1.47 0.98 0.00 0.00 0.00 179.25 179.00 1yq4 n TYR 28 N -3.16 0.18 -0.02 0.00 9.36 -0.94 -3.33 117.16 119.25 1yq4 n TYR 28 Ca 0.03 0.05 0.03 0.00 3.32 0.00 0.00 57.90 61.33 1yq4 n TYR 28 Cb 0.57 -0.45 -0.11 0.00 -0.63 0.00 0.00 39.34 38.72 1yq4 n TYR 28 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1yq4 n LEU 29 N -2.11 0.00 -2.68 2.98 4.77 -0.53 -4.71 117.00 114.73 1yq4 n LEU 29 Ca -0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1yq4 n LEU 29 Cb 0.49 0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1yq4 n LEU 29 CO 0.43 0.10 -0.06 -1.22 -1.33 0.00 0.00 177.39 175.31 1yq4 n TYR 30 N -2.14 0.75 -1.71 -1.77 4.02 -0.08 -5.07 117.16 111.17 1yq4 n TYR 30 Ca -0.08 -2.73 -0.41 0.00 -0.01 0.00 0.00 57.90 54.67 1yq4 n TYR 30 Cb 0.53 -0.18 0.01 0.00 -0.02 0.00 0.00 39.34 39.68 1yq4 n TYR 30 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1yq4 n PRO 31 N -0.10 2.08 -3.40 -0.72 -0.04 -1.21 -4.69 135.00 126.91 1yq4 n PRO 31 Ca 0.08 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1yq4 n PRO 31 Cb 0.82 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1yq4 n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yq4 n GLY 32 N 0.75 -2.32 0.17 0.55 0.00 -1.26 -5.00 105.19 98.08 1yq4 n GLY 32 Ca 0.05 -1.42 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 1yq4 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yq4 h PRO 33 N 0.91 -0.11 -0.85 1.61 0.13 -1.95 -0.17 132.00 131.57 1yq4 h PRO 33 Ca 0.00 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 65.32 1yq4 h PRO 33 Cb 0.00 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 31.00 1yq4 h PRO 33 CO 0.00 -0.08 -0.17 0.00 -0.23 0.00 0.00 178.00 177.52 1yq4 n ALA 34 N -2.90 0.24 0.02 -0.56 0.00 -1.26 -0.07 120.51 115.98 1yq4 n ALA 34 Ca -0.01 0.93 -0.19 0.00 0.00 0.00 0.00 53.44 54.17 1yq4 n ALA 34 Cb 0.12 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 1yq4 n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yq4 h VAL 35 N 0.00 1.30 -0.82 0.00 2.07 -1.74 -2.66 116.25 114.39 1yq4 h VAL 35 Ca 0.43 -2.16 0.09 0.00 0.82 0.00 0.00 66.70 65.88 1yq4 h VAL 35 Cb 0.69 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.74 1yq4 h VAL 35 CO -0.86 0.67 0.54 0.44 0.02 0.00 0.00 177.57 178.37 1yq4 h ASP 36 N 0.35 0.72 0.56 0.57 3.32 0.14 0.19 116.42 122.27 1yq4 h ASP 36 Ca -0.11 0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.67 1yq4 h ASP 36 Cb 1.58 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 41.01 1yq4 h ASP 36 CO 0.18 0.43 -1.30 1.88 -1.72 0.00 0.00 179.24 178.72 1yq4 h TYR 37 N 0.80 0.57 -0.51 4.55 0.05 -0.92 -2.48 116.97 119.02 1yq4 h TYR 37 Ca 0.38 -0.41 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1yq4 h TYR 37 Cb 0.40 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 1yq4 h TYR 37 CO -0.00 1.33 0.27 0.77 -1.05 0.00 0.00 178.16 179.48 1yq4 h SER 38 N 0.09 0.63 0.07 3.88 0.02 -0.98 0.12 113.55 117.37 1yq4 h SER 38 Ca -0.16 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.59 1yq4 h SER 38 Cb 2.01 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 64.38 1yq4 h SER 38 CO 0.21 0.52 -0.53 -0.07 -1.14 0.00 0.00 176.83 175.83 1yq4 h LEU 39 N 0.72 0.55 -0.01 5.07 3.38 -1.00 0.98 115.31 124.99 1yq4 h LEU 39 Ca 0.18 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1yq4 h LEU 39 Cb 0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1yq4 h LEU 39 CO -0.03 0.98 0.00 0.00 0.09 0.00 0.00 178.44 179.48 1yq4 h ALA 40 N 1.04 0.02 0.35 1.53 0.00 -0.56 0.33 119.26 121.96 1yq4 h ALA 40 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1yq4 h ALA 40 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1yq4 h ALA 40 CO 0.10 -0.38 -0.17 0.00 0.00 0.00 0.00 179.25 178.80 1yq4 h ALA 41 N 0.80 -0.46 -0.27 0.00 0.00 -0.74 -1.86 119.26 116.72 1yq4 h ALA 41 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yq4 h ALA 41 Cb 0.21 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1yq4 h ALA 41 CO -0.00 -0.68 0.17 0.00 0.00 0.00 0.00 179.25 178.73 1yq4 h ALA 42 N -0.02 0.34 -0.25 0.00 0.00 -0.80 -0.93 119.26 117.60 1yq4 h ALA 42 Ca -0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1yq4 h ALA 42 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1yq4 h ALA 42 CO 0.08 -0.16 -0.07 -0.07 0.00 0.00 0.00 179.25 179.02 1yq4 h LEU 43 N 0.35 0.38 -0.02 0.00 3.38 -0.36 -1.74 115.31 117.29 1yq4 h LEU 43 Ca 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1yq4 h LEU 43 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1yq4 h LEU 43 CO -0.02 0.50 -0.06 0.74 0.09 0.00 0.00 178.44 179.69 1yq4 h THR 44 N 0.38 1.47 0.35 0.22 2.02 -0.85 -1.88 112.91 114.62 1yq4 h THR 44 Ca 0.08 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.76 1yq4 h THR 44 Cb 0.37 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1yq4 h THR 44 CO 0.02 0.40 -0.22 0.25 0.37 0.00 0.00 175.52 176.33 1yq4 h LEU 45 N -0.50 -0.56 -0.32 2.58 5.85 -1.13 0.07 115.31 121.30 1yq4 h LEU 45 Ca -0.00 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1yq4 h LEU 45 Cb 0.68 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 1yq4 h LEU 45 CO 0.01 -0.35 0.02 -0.74 -0.34 0.00 0.00 178.44 177.04 1yq4 h HIS 46 N -0.55 0.02 0.00 1.25 2.76 -1.41 0.18 115.15 117.39 1yq4 h HIS 46 Ca -0.04 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1yq4 h HIS 46 Cb 0.46 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.46 1yq4 h HIS 46 CO -0.10 -0.03 -0.15 0.78 -1.30 0.00 0.00 177.93 177.13 1yq4 h GLY 47 N 0.11 0.00 0.12 5.26 0.00 -1.22 -0.86 103.07 106.49 1yq4 h GLY 47 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1yq4 h GLY 47 CO -0.24 0.00 -0.04 0.84 0.00 0.00 0.00 176.54 177.11 1yq4 h HIS 48 N 0.00 -0.09 -0.81 5.60 6.17 0.12 -0.71 115.15 125.42 1yq4 h HIS 48 Ca -0.00 -0.00 0.12 0.00 0.71 0.00 0.00 60.37 61.20 1yq4 h HIS 48 Cb 0.43 0.03 -0.08 0.00 2.52 0.00 0.00 27.41 30.31 1yq4 h HIS 48 CO 0.00 0.27 0.42 -1.49 0.71 0.00 0.00 177.93 177.84 1yq4 h TRP 49 N -0.98 0.75 -0.37 5.26 6.55 -0.72 -0.22 115.95 126.20 1yq4 h TRP 49 Ca -0.01 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 1yq4 h TRP 49 Cb 0.40 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.48 1yq4 h TRP 49 CO 0.09 0.23 0.17 0.78 -1.05 0.00 0.00 178.44 178.66 1yq4 h GLY 50 N 0.65 0.58 2.00 1.49 0.00 -1.19 -1.96 103.07 104.63 1yq4 h GLY 50 Ca 0.42 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1yq4 h GLY 50 CO -0.32 0.28 -0.21 1.41 0.00 0.00 0.00 176.54 177.70 1yq4 h LEU 51 N 0.46 0.00 -1.15 3.11 3.38 -0.36 -1.89 115.31 118.86 1yq4 h LEU 51 Ca 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1yq4 h LEU 51 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1yq4 h LEU 51 CO -0.01 0.21 -0.33 1.23 0.09 0.00 0.00 178.44 179.62 1yq4 h GLY 52 N 0.96 0.18 1.68 0.83 0.00 -0.34 -0.83 103.07 105.54 1yq4 h GLY 52 Ca -0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 1yq4 h GLY 52 CO 0.03 0.13 -0.58 1.46 0.00 0.00 0.00 176.54 177.58 1yq4 h GLN 53 N 0.14 0.33 -0.14 4.80 1.08 -0.74 0.45 115.11 121.03 1yq4 h GLN 53 Ca 0.02 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 56.97 1yq4 h GLN 53 Cb 0.66 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1yq4 h GLN 53 CO 0.05 0.82 -0.03 0.28 -0.95 0.00 0.00 178.83 179.00 1yq4 h VAL 54 N 0.25 1.28 -0.22 -0.54 2.07 -1.04 -0.63 116.25 117.42 1yq4 h VAL 54 Ca -0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1yq4 h VAL 54 Cb 1.09 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1yq4 h VAL 54 CO 0.10 0.28 0.11 0.40 0.02 0.00 0.00 177.57 178.47 1yq4 h ILE 55 N -0.03 1.14 -0.89 4.57 2.04 -1.05 0.19 117.51 123.48 1yq4 h ILE 55 Ca 0.04 -0.41 0.12 0.00 1.00 0.00 0.00 64.86 65.61 1yq4 h ILE 55 Cb 0.44 1.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 1yq4 h ILE 55 CO 0.01 0.14 0.52 0.74 0.00 0.00 0.00 178.15 179.56 1yq4 h THR 56 N 0.23 0.87 -0.06 -0.27 2.02 -0.81 0.78 112.91 115.66 1yq4 h THR 56 Ca 0.08 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 1yq4 h THR 56 Cb 0.12 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1yq4 h THR 56 CO -0.01 0.15 -0.42 0.44 0.37 0.00 0.00 175.52 176.05 1yq4 h ASP 57 N 0.82 0.47 -0.08 4.18 5.19 -0.62 -3.38 116.42 123.01 1yq4 h ASP 57 Ca 0.45 -0.67 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1yq4 h ASP 57 Cb 0.48 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1yq4 h ASP 57 CO -0.28 1.08 0.00 -1.22 -3.12 0.00 0.00 179.24 175.69 1yq4 n TYR 58 N -4.34 0.08 -4.17 4.55 4.01 0.01 -4.92 117.16 112.39 1yq4 n TYR 58 Ca -0.09 -0.05 -0.34 0.00 -0.16 0.00 0.00 57.90 57.26 1yq4 n TYR 58 Cb 0.56 -0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.45 1yq4 n TYR 58 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1yq4 s VAL 59 N -1.54 3.25 0.20 -0.72 1.01 0.27 -5.02 120.40 117.84 1yq4 s VAL 59 Ca 0.24 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 61.76 1yq4 s VAL 59 Cb 0.16 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1yq4 s VAL 59 CO 0.24 0.46 -0.19 -1.00 0.00 0.00 0.00 175.10 174.61 1yq4 s HIS 60 N 1.10 1.99 0.00 5.22 3.76 -1.26 -4.75 115.29 121.35 1yq4 s HIS 60 Ca 0.01 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1yq4 s HIS 60 Cb -0.15 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.59 1yq4 s HIS 60 CO -0.01 0.44 0.00 0.41 -0.85 0.00 0.00 174.74 174.73 1yq4 n GLY 61 N 0.02 2.27 0.31 -2.22 0.00 -1.26 -4.54 105.19 99.78 1yq4 n GLY 61 Ca -0.11 -1.52 0.04 0.00 0.00 0.00 0.00 46.02 44.43 1yq4 n GLY 61 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yq4 h ASP 62 N 0.00 0.67 0.25 1.61 3.32 -2.00 -2.51 116.42 117.76 1yq4 h ASP 62 Ca 0.00 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1yq4 h ASP 62 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1yq4 h ASP 62 CO 0.00 0.37 -0.12 0.74 -1.72 0.00 0.00 179.24 178.50 1yq4 h THR 63 N 0.78 0.30 -0.77 0.35 2.02 -1.99 -2.22 112.91 111.38 1yq4 h THR 63 Ca 0.42 -0.87 0.17 0.00 0.77 0.00 0.00 66.41 66.90 1yq4 h THR 63 Cb 0.43 0.51 -0.11 0.00 -1.74 0.00 0.00 68.15 67.23 1yq4 h THR 63 CO -0.27 0.08 0.21 -0.65 0.37 0.00 0.00 175.52 175.26 1yq4 h PRO 64 N -1.03 0.28 0.54 6.66 0.11 -1.80 0.98 132.00 137.73 1yq4 h PRO 64 Ca -0.03 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1yq4 h PRO 64 Cb 0.39 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1yq4 h PRO 64 CO 0.06 0.19 -0.34 0.82 -0.21 0.00 0.00 178.00 178.51 1yq4 h ILE 65 N 0.29 0.29 -0.85 4.15 2.04 -1.54 0.94 117.51 122.84 1yq4 h ILE 65 Ca 0.44 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.52 1yq4 h ILE 65 Cb 0.77 0.29 -0.14 0.00 -0.74 0.00 0.00 36.82 37.01 1yq4 h ILE 65 CO -0.52 0.00 0.15 0.11 0.00 0.00 0.00 178.15 177.89 1yq4 h LYS 66 N -0.84 0.16 0.56 2.37 1.57 -0.57 0.11 116.57 119.92 1yq4 h LYS 66 Ca -0.06 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1yq4 h LYS 66 Cb 0.69 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.97 1yq4 h LYS 66 CO 0.05 0.10 -0.27 0.28 -0.57 0.00 0.00 179.45 179.05 1yq4 h VAL 67 N 0.16 0.38 -0.40 0.50 2.07 -0.44 -0.50 116.25 118.02 1yq4 h VAL 67 Ca 0.51 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.83 1yq4 h VAL 67 Cb 1.00 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1yq4 h VAL 67 CO -0.68 0.04 0.06 0.00 0.02 0.00 0.00 177.57 177.01 1yq4 h ALA 68 N -0.61 0.42 -0.68 1.67 0.00 -0.04 0.13 119.26 120.15 1yq4 h ALA 68 Ca -0.08 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1yq4 h ALA 68 Cb 0.63 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1yq4 h ALA 68 CO 0.13 -0.34 0.28 -0.91 0.00 0.00 0.00 179.25 178.41 1yq4 h ASN 69 N 0.19 0.91 0.49 0.00 -0.26 -0.83 -1.14 115.58 114.93 1yq4 h ASN 69 Ca 0.19 -0.12 -0.02 0.00 -0.56 0.00 0.00 56.30 55.79 1yq4 h ASN 69 Cb 0.24 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 1yq4 h ASN 69 CO -0.27 0.81 -0.23 0.74 -1.06 0.00 0.00 177.43 177.41 1yq4 h THR 70 N 0.98 0.50 0.00 2.81 2.02 0.18 -2.00 112.91 117.41 1yq4 h THR 70 Ca 0.23 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1yq4 h THR 70 Cb 0.17 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1yq4 h THR 70 CO -0.02 0.03 0.00 1.23 0.37 0.00 0.00 175.52 177.13 1yq4 h GLY 71 N -0.78 0.00 0.90 2.16 0.00 -0.58 -1.63 103.07 103.14 1yq4 h GLY 71 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 1yq4 h GLY 71 CO 0.11 0.00 -0.64 -2.00 0.00 0.00 0.00 176.54 174.01 1yq4 h LEU 72 N 0.00 0.64 -2.07 3.11 5.85 -0.93 -1.57 115.31 120.34 1yq4 h LEU 72 Ca 0.00 -0.71 0.03 0.00 0.84 0.00 0.00 57.88 58.04 1yq4 h LEU 72 Cb 0.15 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1yq4 h LEU 72 CO 0.00 1.25 0.07 0.22 -0.34 0.00 0.00 178.44 179.65 1yq4 h TYR 73 N 0.08 0.00 0.00 1.25 3.20 -0.55 0.98 116.97 121.93 1yq4 h TYR 73 Ca -0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1yq4 h TYR 73 Cb 1.31 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.58 1yq4 h TYR 73 CO 0.13 0.00 -0.04 0.28 -1.64 0.00 0.00 178.16 176.88 1yq4 h VAL 74 N 0.00 1.72 -0.53 1.81 2.07 -1.40 -2.36 116.25 117.56 1yq4 h VAL 74 Ca 0.05 -2.31 0.11 0.00 0.82 0.00 0.00 66.70 65.36 1yq4 h VAL 74 Cb 0.19 3.27 -0.09 0.00 -1.52 0.00 0.00 31.29 33.14 1yq4 h VAL 74 CO -0.00 0.58 -0.04 0.25 0.02 0.00 0.00 177.57 178.38 1yq4 h LEU 75 N -1.00 -0.31 -0.31 2.57 5.85 -0.83 0.13 115.31 121.40 1yq4 h LEU 75 Ca -0.01 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1yq4 h LEU 75 Cb 0.98 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1yq4 h LEU 75 CO -0.01 -0.12 0.06 0.28 -0.34 0.00 0.00 178.44 178.31 1yq4 h SER 76 N 0.08 0.49 -0.63 1.25 0.02 -0.89 0.20 113.55 114.07 1yq4 h SER 76 Ca 0.27 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 1yq4 h SER 76 Cb 0.42 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1yq4 h SER 76 CO -0.48 0.62 0.03 0.00 -1.14 0.00 0.00 176.83 175.85 1yq4 h ALA 77 N 0.89 0.84 0.07 3.77 0.00 -1.13 0.59 119.26 124.29 1yq4 h ALA 77 Ca 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1yq4 h ALA 77 Cb 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yq4 h ALA 77 CO 0.00 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.71 1yq4 h ILE 78 N 1.00 0.97 -0.06 0.00 2.04 -0.60 0.68 117.51 121.54 1yq4 h ILE 78 Ca 0.18 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1yq4 h ILE 78 Cb 0.53 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 1yq4 h ILE 78 CO 0.03 0.03 -0.21 0.74 0.00 0.00 0.00 178.15 178.74 1yq4 h THR 79 N -0.15 0.50 -0.77 -0.27 2.02 -0.32 0.38 112.91 114.30 1yq4 h THR 79 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1yq4 h THR 79 Cb 0.12 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 1yq4 h THR 79 CO 0.02 0.00 0.50 0.15 0.37 0.00 0.00 175.52 176.56 1yq4 h PHE 80 N -0.30 0.84 0.23 3.16 3.57 -0.75 0.12 116.94 123.82 1yq4 h PHE 80 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1yq4 h PHE 80 Cb 0.41 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1yq4 h PHE 80 CO -0.28 0.45 -0.11 1.15 -2.23 0.00 0.00 178.31 177.29 1yq4 h THR 81 N 0.84 0.83 -0.72 4.41 2.02 0.99 -1.04 112.91 120.25 1yq4 h THR 81 Ca 0.33 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1yq4 h THR 81 Cb 0.21 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1yq4 h THR 81 CO -0.11 0.11 0.47 1.23 0.37 0.00 0.00 175.52 177.60 1yq4 h GLY 82 N -0.58 1.01 1.50 2.16 0.00 0.18 0.18 103.07 107.53 1yq4 h GLY 82 Ca -0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1yq4 h GLY 82 CO 0.05 0.36 -0.20 1.41 0.00 0.00 0.00 176.54 178.16 1yq4 h LEU 83 N 0.95 0.58 -0.69 3.11 3.38 -0.60 -0.87 115.31 121.17 1yq4 h LEU 83 Ca 0.27 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1yq4 h LEU 83 Cb -0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1yq4 h LEU 83 CO -0.06 0.79 -0.60 0.00 0.09 0.00 0.00 178.44 178.66 1yq4 h TYR 85 N 0.14 0.03 -0.88 0.00 3.20 0.09 -1.40 116.97 118.15 1yq4 h TYR 85 Ca -0.01 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1yq4 h TYR 85 Cb 1.09 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.28 1yq4 h TYR 85 CO 0.02 0.16 0.53 0.35 -1.64 0.00 0.00 178.16 177.58 1yq4 h PHE 86 N -0.10 0.97 0.00 -3.82 3.57 -1.04 0.65 116.94 117.17 1yq4 h PHE 86 Ca 0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1yq4 h PHE 86 Cb 0.14 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1yq4 h PHE 86 CO -0.03 0.43 -0.35 -0.91 -2.23 0.00 0.00 178.31 175.22 1yq4 h ASN 87 N 0.91 0.00 0.04 0.41 2.35 -1.10 -1.19 115.58 117.00 1yq4 h ASN 87 Ca 0.41 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.82 1yq4 h ASN 87 Cb 0.32 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 1yq4 h ASN 87 CO -0.22 0.35 -1.89 0.00 -1.65 0.00 0.00 177.43 174.01 1yq4 n TYR 88 N -3.80 0.78 1.05 1.19 9.36 -0.05 -4.49 117.16 121.20 1yq4 n TYR 88 Ca -0.01 0.25 0.11 0.00 3.32 0.00 0.00 57.90 61.57 1yq4 n TYR 88 Cb 0.43 -1.09 0.06 0.00 -0.63 0.00 0.00 39.34 38.11 1yq4 n TYR 88 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1yq4 n TYR 89 N -3.94 0.00 -3.60 2.98 4.01 0.21 -4.97 117.16 111.85 1yq4 n TYR 89 Ca -0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 1yq4 n TYR 89 Cb 0.88 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 1yq4 n TYR 89 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1yq4 n ASP 90 N -0.69 0.90 0.26 7.72 -0.08 -0.46 -5.02 116.55 119.17 1yq4 n ASP 90 Ca 0.08 -0.60 0.09 0.00 -1.51 0.00 0.00 54.79 52.86 1yq4 n ASP 90 Cb 0.40 0.00 0.67 0.00 2.34 0.00 0.00 41.12 44.53 1yq4 n ASP 90 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1yq4 h VAL 91 N 0.60 0.88 0.00 5.18 -1.51 -1.90 -3.43 116.25 116.07 1yq4 h VAL 91 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1yq4 h VAL 91 Cb 0.00 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1yq4 h VAL 91 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 1yq4 n GLY 92 N -1.21 1.54 0.12 5.19 0.00 -1.13 -4.59 105.19 105.11 1yq4 n GLY 92 Ca -0.03 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 1yq4 n GLY 92 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yq4 h ILE 93 N 0.00 0.79 0.57 -0.61 2.04 -1.87 -2.12 117.51 116.31 1yq4 h ILE 93 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1yq4 h ILE 93 Cb 0.00 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1yq4 h ILE 93 CO 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 178.15 177.85 1yq4 h LYS 95 N -0.80 0.61 0.24 0.00 1.63 -1.81 -1.16 116.57 115.28 1yq4 h LYS 95 Ca -0.08 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1yq4 h LYS 95 Cb 0.63 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1yq4 h LYS 95 CO 0.11 0.40 -0.11 0.00 -3.45 0.00 0.00 179.45 176.40 1yq4 h ALA 96 N 1.67 -0.32 -0.24 5.00 0.00 -1.14 -0.73 119.26 123.51 1yq4 h ALA 96 Ca 0.60 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.49 1yq4 h ALA 96 Cb 1.12 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1yq4 h ALA 96 CO -0.40 -0.67 -0.36 0.28 0.00 0.00 0.00 179.25 178.11 1yq4 h VAL 97 N -0.34 0.22 -0.94 0.00 2.07 -0.50 0.30 116.25 117.05 1yq4 h VAL 97 Ca -0.03 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.68 1yq4 h VAL 97 Cb 0.26 0.22 -0.11 0.00 -1.52 0.00 0.00 31.29 30.13 1yq4 h VAL 97 CO 0.05 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.16 1yq4 h ALA 98 N 0.44 1.54 -0.27 1.67 0.00 -1.18 0.59 119.26 122.05 1yq4 h ALA 98 Ca 0.12 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 1yq4 h ALA 98 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1yq4 h ALA 98 CO -0.44 -0.16 -0.55 0.52 0.00 0.00 0.00 179.25 178.62 1yq4 h MET 99 N 0.62 0.80 -0.69 0.00 2.86 0.65 -2.73 114.93 116.45 1yq4 h MET 99 Ca 0.56 -0.51 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1yq4 h MET 99 Cb 0.93 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 1yq4 h MET 99 CO -0.42 1.14 0.26 1.25 1.06 0.00 0.00 176.91 180.19 1yq4 h LEU 100 N 0.61 0.94 -2.77 1.22 5.85 0.25 -1.42 115.31 120.00 1yq4 h LEU 100 Ca 0.01 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1yq4 h LEU 100 Cb 1.14 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1yq4 h LEU 100 CO 0.12 0.85 0.11 1.87 -0.34 0.00 0.00 178.44 181.05 1yq4 n TRP 101 N -4.29 0.45 0.00 1.25 -0.00 0.17 -2.61 117.44 112.41 1yq4 n TRP 101 Ca 0.06 -1.03 0.00 0.00 -0.00 0.00 0.00 57.50 56.53 1yq4 n TRP 101 Cb 0.19 -0.51 0.00 0.00 -0.00 0.00 0.00 31.31 30.99 1yq4 n TRP 101 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1yq4 n SER 102 N 0.77 0.01 0.00 5.87 7.64 -0.54 -4.95 113.62 122.44 1yq4 n SER 102 Ca 0.09 -0.25 0.10 0.00 1.01 0.00 0.00 58.87 59.82 1yq4 n SER 102 Cb 0.58 0.50 0.60 0.00 -1.01 0.00 0.00 64.21 64.88 1yq4 n SER 102 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65