#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx4 n MET 2 N 0.00 1.80 -2.27 -0.41 1.56 -1.26 -5.01 117.12 111.54 1yx4 n MET 2 Ca 0.00 -0.02 -0.00 0.00 -0.27 0.00 0.00 57.70 57.41 1yx4 n MET 2 Cb 0.00 -1.32 0.00 0.00 2.15 0.00 0.00 33.22 34.05 1yx4 n MET 2 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1yx4 n LEU 3 N -2.40 -1.53 -3.56 -0.89 7.94 -1.26 -4.91 117.00 110.38 1yx4 n LEU 3 Ca -0.18 -0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.31 1yx4 n LEU 3 Cb 0.84 -0.54 -0.05 0.00 0.53 0.00 0.00 43.42 44.20 1yx4 n LEU 3 CO 0.26 0.00 2.18 0.61 -1.11 0.00 0.00 177.39 179.34 1yx4 n GLY 4 N -0.76 2.75 1.28 -3.96 0.00 -1.26 -3.90 105.19 99.35 1yx4 n GLY 4 Ca -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1yx4 n GLY 4 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1yx4 n LEU 5 N 6.91 0.21 -4.07 0.99 7.94 -1.26 -4.92 117.00 122.81 1yx4 n LEU 5 Ca 0.49 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.96 1yx4 n LEU 5 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 1yx4 n LEU 5 CO 0.98 -0.23 1.54 0.61 -1.11 0.00 0.00 177.39 179.18 1yx4 n GLY 6 N 1.94 4.52 0.11 -3.96 0.00 -1.25 -4.68 105.19 101.87 1yx4 n GLY 6 Ca 0.00 -2.26 -0.17 0.00 0.00 0.00 0.00 46.02 43.59 1yx4 n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx4 n ALA 7 N 3.53 0.95 0.02 4.61 0.00 -1.26 -4.72 120.51 123.64 1yx4 n ALA 7 Ca 0.34 -0.87 0.04 0.00 0.00 0.00 0.00 53.44 52.96 1yx4 n ALA 7 Cb 0.37 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 1yx4 n ALA 7 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yx4 n SER 8 N -4.40 3.10 0.22 0.00 3.41 -1.26 -4.55 113.62 110.15 1yx4 n SER 8 Ca -0.29 -0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.38 1yx4 n SER 8 Cb 0.64 1.30 0.73 0.00 -0.26 0.00 0.00 64.21 66.62 1yx4 n SER 8 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1yx4 h ASP 9 N 0.00 0.00 -2.72 4.04 1.82 -1.86 -3.30 116.42 114.40 1yx4 h ASP 9 Ca 0.00 0.00 -0.74 0.00 -0.39 0.00 0.00 57.03 55.90 1yx4 h ASP 9 Cb 0.31 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 40.12 1yx4 h ASP 9 CO 0.00 0.00 0.84 -0.36 -1.61 0.00 0.00 179.24 178.11 1yx4 s PHE 10 N -4.91 3.53 -0.40 0.28 0.40 -1.26 -4.77 117.98 110.84 1yx4 s PHE 10 Ca -0.05 -1.94 0.10 0.00 -0.60 0.00 0.00 56.93 54.44 1yx4 s PHE 10 Cb 0.17 -4.15 0.35 0.00 0.51 0.00 0.00 43.02 39.90 1yx4 s PHE 10 CO 0.64 -1.30 0.94 -1.91 0.70 0.00 0.00 175.22 174.29 1yx4 n GLU 11 N 5.25 1.02 0.10 0.44 0.00 -1.25 -4.85 120.64 121.35 1yx4 n GLU 11 Ca 0.27 -2.73 0.00 0.00 0.00 0.00 0.00 57.16 54.70 1yx4 n GLU 11 Cb 0.45 -1.29 0.00 0.00 0.00 0.00 0.00 31.44 30.60 1yx4 n GLU 11 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1yx4 n PHE 12 N 0.21 -3.18 -1.61 4.31 -0.00 -1.26 -4.95 117.46 110.98 1yx4 n PHE 12 Ca 0.14 0.69 -0.11 0.00 -0.00 0.00 0.00 57.45 58.18 1yx4 n PHE 12 Cb 0.70 1.95 0.15 0.00 -0.00 0.00 0.00 39.48 42.28 1yx4 n PHE 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yx4 n GLY 13 N -1.39 5.40 0.01 7.13 0.00 -1.26 -4.55 105.19 110.52 1yx4 n GLY 13 Ca 0.00 -1.69 -0.00 0.00 0.00 0.00 0.00 46.02 44.33 1yx4 n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yx4 n VAL 14 N -1.01 0.13 -0.58 1.61 0.24 -1.26 -4.84 118.33 112.62 1yx4 n VAL 14 Ca 0.37 -0.12 -0.28 0.00 -2.04 0.00 0.00 64.34 62.27 1yx4 n VAL 14 Cb 0.94 -0.33 0.18 0.00 -1.47 0.00 0.00 33.84 33.16 1yx4 n VAL 14 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1yx4 n ASP 15 N -1.91 -2.70 0.22 -1.34 8.00 -1.26 -4.81 116.55 112.76 1yx4 n ASP 15 Ca -0.03 -0.28 0.15 0.00 0.71 0.00 0.00 54.79 55.34 1yx4 n ASP 15 Cb 0.39 -0.92 0.62 0.00 -0.02 0.00 0.00 41.12 41.19 1yx4 n ASP 15 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1yx4 h PRO 16 N -2.43 0.00 0.00 -0.24 0.13 -1.96 -2.71 132.00 124.78 1yx4 h PRO 16 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1yx4 h PRO 16 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1yx4 h PRO 16 CO 0.31 0.00 -0.12 1.03 -0.23 0.00 0.00 178.00 178.99 1yx4 h SER 17 N 0.00 0.00 0.03 1.44 0.87 -1.98 -2.34 113.55 111.57 1yx4 h SER 17 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1yx4 h SER 17 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1yx4 h SER 17 CO 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 176.83 176.42 1yx4 h ALA 18 N 1.88 1.00 -1.23 6.23 0.00 -1.79 -3.40 119.26 121.94 1yx4 h ALA 18 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1yx4 h ALA 18 Cb 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.98 1yx4 h ALA 18 CO 0.02 0.00 0.14 -0.51 0.00 0.00 0.00 179.25 178.89 1yx4 s ASP 19 N -5.09 -0.71 0.13 0.00 1.01 -0.88 -5.04 116.67 106.08 1yx4 s ASP 19 Ca -0.05 0.97 -0.09 0.00 0.71 0.00 0.00 52.55 54.10 1yx4 s ASP 19 Cb 0.12 1.81 -0.08 0.00 1.01 0.00 0.00 42.92 45.78 1yx4 s ASP 19 CO 0.40 -0.14 1.35 1.55 0.21 0.00 0.00 175.17 178.54 1yx4 h PRO 20 N 7.62 0.67 -0.85 8.23 0.13 -1.80 -3.00 132.00 143.01 1yx4 h PRO 20 Ca -0.16 -0.55 -0.02 0.00 -0.87 0.00 0.00 66.00 64.40 1yx4 h PRO 20 Cb 1.11 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1yx4 h PRO 20 CO 0.08 1.16 0.44 0.93 -0.23 0.00 0.00 178.00 180.39 1yx4 h GLU 21 N 0.46 1.20 -0.11 0.86 3.07 -1.96 -1.98 114.58 116.12 1yx4 h GLU 21 Ca -0.04 -0.15 -0.08 0.00 -0.50 0.00 0.00 59.36 58.58 1yx4 h GLU 21 Cb 1.37 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 1yx4 h GLU 21 CO 0.15 0.90 -0.30 -0.07 -1.40 0.00 0.00 179.01 178.28 1yx4 h LEU 22 N 1.20 0.21 0.10 1.33 3.38 -1.92 -2.38 115.31 117.22 1yx4 h LEU 22 Ca 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1yx4 h LEU 22 Cb 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1yx4 h LEU 22 CO -0.04 0.51 -0.05 0.00 0.09 0.00 0.00 178.44 178.94 1yx4 h ALA 23 N 1.51 -0.14 -0.93 1.53 0.00 -1.23 -1.86 119.26 118.14 1yx4 h ALA 23 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1yx4 h ALA 23 Cb 0.63 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1yx4 h ALA 23 CO 0.05 -0.42 0.62 1.25 0.00 0.00 0.00 179.25 180.74 1yx4 h LEU 24 N -0.45 1.07 -1.43 0.00 6.46 -1.39 -1.29 115.31 118.28 1yx4 h LEU 24 Ca -0.01 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.66 1yx4 h LEU 24 Cb 0.37 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1yx4 h LEU 24 CO 0.02 0.77 -0.26 0.00 -0.62 0.00 0.00 178.44 178.35 1yx4 h ALA 25 N 1.42 1.53 0.00 1.25 0.00 -1.34 -1.98 119.26 120.14 1yx4 h ALA 25 Ca 0.35 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1yx4 h ALA 25 Cb -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1yx4 h ALA 25 CO -0.08 0.35 -0.22 1.25 0.00 0.00 0.00 179.25 180.55 1yx4 h LEU 26 N 0.04 0.00 0.00 0.00 6.46 -0.37 -2.44 115.31 119.00 1yx4 h LEU 26 Ca 0.01 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.58 1yx4 h LEU 26 Cb 0.48 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 1yx4 h LEU 26 CO 0.03 0.22 -0.91 -0.09 -0.62 0.00 0.00 178.44 177.08 1yx4 h ARG 27 N 0.00 0.00 0.00 1.25 2.43 -1.05 -2.78 114.38 114.24 1yx4 h ARG 27 Ca -0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1yx4 h ARG 27 Cb 0.79 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1yx4 h ARG 27 CO 0.03 0.86 -0.87 0.28 -1.51 0.00 0.00 179.97 178.76 1yx4 h VAL 28 N 0.00 1.61 0.03 0.20 2.07 -1.26 -2.84 116.25 116.06 1yx4 h VAL 28 Ca -0.02 -3.00 -0.23 0.00 0.82 0.00 0.00 66.70 64.27 1yx4 h VAL 28 Cb 1.68 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 34.08 1yx4 h VAL 28 CO 0.11 0.85 -1.00 0.28 0.02 0.00 0.00 177.57 177.84 1yx4 h SER 29 N 0.00 0.52 -0.30 0.57 0.02 -1.46 -2.84 113.55 110.06 1yx4 h SER 29 Ca -0.01 -0.44 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 1yx4 h SER 29 Cb 1.55 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 1yx4 h SER 29 CO 0.11 1.25 -0.22 -0.03 -1.14 0.00 0.00 176.83 176.80 1yx4 h MET 30 N 0.20 0.68 -0.76 3.45 -1.53 -1.52 -2.68 114.93 112.76 1yx4 h MET 30 Ca -0.09 -0.33 -0.04 0.00 -3.44 0.00 0.00 59.70 55.79 1yx4 h MET 30 Cb 1.65 -0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.66 1yx4 h MET 30 CO 0.17 0.93 0.30 0.93 0.14 0.00 0.00 176.91 179.39 1yx4 h GLU 31 N 0.42 1.13 -0.64 0.39 4.39 -1.57 -2.66 114.58 116.05 1yx4 h GLU 31 Ca 0.06 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1yx4 h GLU 31 Cb 0.78 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1yx4 h GLU 31 CO 0.06 0.92 0.34 0.93 -1.16 0.00 0.00 179.01 180.10 1yx4 h GLU 32 N 1.11 0.90 -0.22 2.33 4.39 -1.42 -2.01 114.58 119.66 1yx4 h GLU 32 Ca 0.25 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1yx4 h GLU 32 Cb 0.21 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1yx4 h GLU 32 CO -0.02 0.69 0.13 1.96 -1.16 0.00 0.00 179.01 180.61 1yx4 h GLN 33 N 0.88 0.29 -0.25 2.33 4.20 -1.14 -2.33 115.11 119.09 1yx4 h GLN 33 Ca 0.22 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1yx4 h GLN 33 Cb 0.06 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1yx4 h GLN 33 CO -0.03 0.21 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.21 1yx4 h ARG 34 N 0.30 0.47 -0.14 1.46 2.43 -1.10 0.25 114.38 118.05 1yx4 h ARG 34 Ca 0.08 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1yx4 h ARG 34 Cb -0.00 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1yx4 h ARG 34 CO -0.01 0.67 0.10 1.96 -1.51 0.00 0.00 179.97 181.18 1yx4 h GLN 35 N 0.23 0.00 0.14 0.20 7.50 -1.14 -0.86 115.11 121.18 1yx4 h GLN 35 Ca 0.07 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.89 1yx4 h GLN 35 Cb 0.48 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.01 1yx4 h GLN 35 CO 0.02 0.00 -1.70 -0.09 -1.50 0.00 0.00 178.83 175.56 1yx4 h ARG 36 N 0.00 0.29 -0.05 1.46 2.43 -1.23 -2.68 114.38 114.60 1yx4 h ARG 36 Ca 0.07 -0.50 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1yx4 h ARG 36 Cb 0.28 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1yx4 h ARG 36 CO -0.00 1.24 -0.02 1.96 -1.51 0.00 0.00 179.97 181.64 1yx4 h GLN 37 N -0.08 0.07 0.00 0.20 4.20 -0.05 0.18 115.11 119.63 1yx4 h GLN 37 Ca -0.36 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 1yx4 h GLN 37 Cb 1.94 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.70 1yx4 h GLN 37 CO 0.10 0.10 -0.23 1.49 -0.67 0.00 0.00 178.83 179.62 1yx4 h GLU 38 N 0.07 0.00 -0.86 1.46 4.57 -1.29 -0.24 114.58 118.29 1yx4 h GLU 38 Ca 0.02 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.40 1yx4 h GLU 38 Cb 0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.61 1yx4 h GLU 38 CO 0.00 0.10 0.58 1.49 -1.18 0.00 0.00 179.01 180.01 1yx4 h GLU 39 N -1.00 0.33 0.08 1.92 4.81 -1.45 0.33 114.58 119.61 1yx4 h GLU 39 Ca -0.01 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.93 1yx4 h GLU 39 Cb 0.29 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1yx4 h GLU 39 CO -0.01 0.22 -1.30 1.49 -0.73 0.00 0.00 179.01 178.68 1yx4 h GLU 40 N 0.34 0.17 0.06 1.92 4.81 -0.76 -2.37 114.58 118.75 1yx4 h GLU 40 Ca 0.44 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1yx4 h GLU 40 Cb 1.18 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1yx4 h GLU 40 CO -0.14 1.07 -0.03 0.00 -0.73 0.00 0.00 179.01 179.18 1yx4 h ALA 41 N 0.70 -0.08 -0.13 2.92 0.00 0.14 -2.82 119.26 120.00 1yx4 h ALA 41 Ca -0.15 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1yx4 h ALA 41 Cb 1.93 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1yx4 h ALA 41 CO 0.16 -0.40 -0.35 0.07 0.00 0.00 0.00 179.25 178.73 1yx4 h ARG 42 N -0.37 0.26 -0.47 0.00 0.11 -0.75 -1.56 114.38 111.60 1yx4 h ARG 42 Ca -0.01 -0.11 0.08 0.00 0.10 0.00 0.00 59.98 60.05 1yx4 h ARG 42 Cb 0.33 -0.01 -0.07 0.00 1.11 0.00 0.00 29.97 31.33 1yx4 h ARG 42 CO 0.01 0.58 0.07 0.00 0.10 0.00 0.00 179.97 180.73 1yx4 h ARG 43 N 0.23 0.19 0.00 0.08 2.47 -1.27 0.16 114.38 116.24 1yx4 h ARG 43 Ca 0.03 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1yx4 h ARG 43 Cb 0.72 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1yx4 h ARG 43 CO 0.05 0.13 -0.26 0.00 0.56 0.00 0.00 179.97 180.45 1yx4 h ALA 44 N 1.38 0.88 -0.11 0.04 0.00 -1.32 -2.82 119.26 117.31 1yx4 h ALA 44 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1yx4 h ALA 44 Cb 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1yx4 h ALA 44 CO -0.33 0.32 -0.23 0.00 0.00 0.00 0.00 179.25 179.02 1yx4 h ALA 45 N 1.74 1.42 0.15 0.00 0.00 0.28 -1.85 119.26 121.00 1yx4 h ALA 45 Ca -0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 54.91 54.30 1yx4 h ALA 45 Cb 1.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1yx4 h ALA 45 CO 0.03 0.41 -1.79 0.00 0.00 0.00 0.00 179.25 177.90 1yx4 h ALA 46 N 1.60 0.28 0.00 0.00 0.00 -1.06 -2.81 119.26 117.26 1yx4 h ALA 46 Ca 0.03 -1.22 -0.03 0.00 0.00 0.00 0.00 54.91 53.69 1yx4 h ALA 46 Cb 0.50 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1yx4 h ALA 46 CO 0.03 1.15 -0.14 0.00 0.00 0.00 0.00 179.25 180.29 1yx4 h ALA 47 N 0.20 1.42 0.00 0.00 0.00 -1.40 -1.95 119.26 117.52 1yx4 h ALA 47 Ca -0.35 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.16 1yx4 h ALA 47 Cb 2.07 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.79 1yx4 h ALA 47 CO 0.15 0.18 -1.68 0.43 0.00 0.00 0.00 179.25 178.32 1yx4 n SER 48 N -3.86 0.84 0.02 0.00 7.64 -0.71 -3.55 113.62 114.00 1yx4 n SER 48 Ca -0.02 0.40 -0.10 0.00 1.01 0.00 0.00 58.87 60.16 1yx4 n SER 48 Cb 0.24 0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.50 1yx4 n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yx4 h ALA 49 N 1.07 0.66 0.00 -0.43 0.00 -1.19 -2.60 119.26 116.77 1yx4 h ALA 49 Ca -0.27 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 1yx4 h ALA 49 Cb 1.95 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1yx4 h ALA 49 CO 0.07 0.71 -0.24 0.00 0.00 0.00 0.00 179.25 179.79 1yx4 h ALA 50 N 0.95 0.91 0.00 0.00 0.00 -1.52 0.86 119.26 120.46 1yx4 h ALA 50 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1yx4 h ALA 50 Cb 1.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1yx4 h ALA 50 CO 0.11 0.30 -0.83 1.49 0.00 0.00 0.00 179.25 180.32 1yx4 h GLU 51 N 0.00 0.00 0.00 0.00 4.81 -1.57 -0.63 114.58 117.18 1yx4 h GLU 51 Ca -0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 1yx4 h GLU 51 Cb 0.96 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 1yx4 h GLU 51 CO 0.03 0.58 -1.78 0.00 -0.73 0.00 0.00 179.01 177.12 1yx4 n ALA 52 N -2.30 1.86 -0.19 2.92 0.00 -0.99 -4.31 120.51 117.49 1yx4 n ALA 52 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1yx4 n ALA 52 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1yx4 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx4 n GLY 53 N 2.16 -0.45 0.00 0.00 0.00 0.30 -4.74 105.19 102.45 1yx4 n GLY 53 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1yx4 n GLY 53 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yx4 n ILE 54 N -1.71 0.00 -2.93 -0.61 5.41 -1.21 -5.01 119.36 113.29 1yx4 n ILE 54 Ca 0.00 0.48 0.00 0.00 1.00 0.00 0.00 62.75 64.23 1yx4 n ILE 54 Cb 0.00 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1yx4 n ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yx4 n ALA 55 N -1.96 0.00 -3.65 -1.39 0.00 -0.25 -4.87 120.51 108.39 1yx4 n ALA 55 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1yx4 n ALA 55 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yx4 n ALA 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yx4 n THR 56 N -0.60 0.00 -3.69 0.00 -2.24 -1.26 -5.08 114.28 101.41 1yx4 n THR 56 Ca 0.00 -0.82 -0.10 0.00 -2.27 0.00 0.00 64.05 60.86 1yx4 n THR 56 Cb 0.00 -0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 1yx4 n THR 56 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1yx4 s THR 57 N -1.03 -0.15 -0.29 4.28 -1.32 -1.26 -5.15 115.64 110.72 1yx4 s THR 57 Ca 0.11 0.11 -0.19 0.00 -1.21 0.00 0.00 61.69 60.51 1yx4 s THR 57 Cb -0.01 -0.63 0.14 0.00 -1.51 0.00 0.00 72.50 70.50 1yx4 s THR 57 CO 0.07 0.04 1.03 -0.83 -2.21 0.00 0.00 174.62 172.73 1yx4 s GLY 58 N 1.65 0.01 -1.15 6.08 0.00 -1.26 -5.06 107.32 107.59 1yx4 s GLY 58 Ca -0.08 3.06 -0.03 0.00 0.00 0.00 0.00 44.72 47.67 1yx4 s GLY 58 CO -0.13 2.33 1.99 2.41 0.00 0.00 0.00 173.10 179.70 1yx4 n THR 59 N 3.10 5.62 -1.82 0.90 -1.04 -1.26 -4.75 114.28 115.03 1yx4 n THR 59 Ca -0.16 -5.31 -0.36 0.00 -2.04 0.00 0.00 64.05 56.18 1yx4 n THR 59 Cb 0.57 -1.84 0.05 0.00 -1.82 0.00 0.00 70.33 67.28 1yx4 n THR 59 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1yx4 n GLU 60 N 0.97 2.85 -1.54 -2.82 2.13 -1.26 -4.95 120.64 116.01 1yx4 n GLU 60 Ca 0.50 -3.59 -0.30 0.00 0.66 0.00 0.00 57.16 54.42 1yx4 n GLU 60 Cb 0.27 -2.27 -0.07 0.00 0.27 0.00 0.00 31.44 29.64 1yx4 n GLU 60 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1yx4 n ASP 61 N -0.65 1.72 -4.25 4.31 9.92 -1.26 -4.70 116.55 121.63 1yx4 n ASP 61 Ca 0.54 -0.66 -0.09 0.00 -0.53 0.00 0.00 54.79 54.05 1yx4 n ASP 61 Cb 0.43 -1.46 -0.06 0.00 -0.64 0.00 0.00 41.12 39.38 1yx4 n ASP 61 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1yx4 n SER 62 N 15.36 -0.19 0.10 -2.24 2.88 -1.26 -4.62 113.62 123.65 1yx4 n SER 62 Ca 0.45 -1.95 -0.03 0.00 -1.33 0.00 0.00 58.87 56.01 1yx4 n SER 62 Cb 0.43 -1.12 0.19 0.00 -0.75 0.00 0.00 64.21 62.96 1yx4 n SER 62 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1yx4 h ASP 63 N 10.27 0.22 0.64 -3.46 3.58 -2.00 -2.79 116.42 122.88 1yx4 h ASP 63 Ca 0.01 -0.11 -0.26 0.00 0.42 0.00 0.00 57.03 57.10 1yx4 h ASP 63 Cb 0.96 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1yx4 h ASP 63 CO 1.03 0.68 -1.17 -2.24 -2.88 0.00 0.00 179.24 174.67 1yx4 h ASP 64 N 0.17 0.38 -0.68 2.28 2.03 -1.99 -2.86 116.42 115.75 1yx4 h ASP 64 Ca 0.01 -0.39 -0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1yx4 h ASP 64 Cb 0.93 -0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 39.27 1yx4 h ASP 64 CO 0.07 1.29 0.42 0.00 -1.03 0.00 0.00 179.24 179.99 1yx4 h ALA 65 N 0.66 1.44 0.00 4.15 0.00 -1.90 0.39 119.26 124.00 1yx4 h ALA 65 Ca -0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1yx4 h ALA 65 Cb 1.88 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1yx4 h ALA 65 CO 0.19 0.49 -0.53 -0.07 0.00 0.00 0.00 179.25 179.32 1yx4 h LEU 66 N 0.94 0.00 -0.02 0.00 3.38 -1.49 0.62 115.31 118.75 1yx4 h LEU 66 Ca 0.25 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.95 1yx4 h LEU 66 Cb -0.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.72 1yx4 h LEU 66 CO -0.05 0.53 -1.04 0.25 0.09 0.00 0.00 178.44 178.22 1yx4 h LEU 67 N 0.00 0.86 0.00 1.67 6.46 -0.73 -2.61 115.31 120.97 1yx4 h LEU 67 Ca -0.01 -0.70 -0.06 0.00 -0.12 0.00 0.00 57.88 57.00 1yx4 h LEU 67 Cb 0.94 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1yx4 h LEU 67 CO 0.07 1.50 -0.35 0.11 -0.62 0.00 0.00 178.44 179.15 1yx4 h LYS 68 N 0.37 0.00 -0.69 1.25 1.57 -0.20 -2.89 116.57 115.98 1yx4 h LYS 68 Ca -0.13 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1yx4 h LYS 68 Cb 1.70 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.95 1yx4 h LYS 68 CO 0.20 0.85 0.37 1.98 -0.57 0.00 0.00 179.45 182.29 1yx4 h MET 69 N -1.00 0.66 -0.47 3.15 4.05 0.11 1.10 114.93 122.53 1yx4 h MET 69 Ca -0.09 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.20 1yx4 h MET 69 Cb 0.95 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 1yx4 h MET 69 CO -0.05 0.43 -0.08 1.15 0.23 0.00 0.00 176.91 178.59 1yx4 h THR 70 N 0.68 1.27 0.00 -0.77 2.02 -1.60 -2.77 112.91 111.74 1yx4 h THR 70 Ca 0.32 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1yx4 h THR 70 Cb 0.24 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1yx4 h THR 70 CO -0.21 0.41 -0.02 -0.29 0.37 0.00 0.00 175.52 175.78 1yx4 h ILE 71 N 0.72 0.00 -0.25 3.11 6.09 -1.19 -2.85 117.51 123.14 1yx4 h ILE 71 Ca 0.12 -0.81 -0.10 0.00 -1.37 0.00 0.00 64.86 62.71 1yx4 h ILE 71 Cb 0.61 1.80 -0.00 0.00 0.47 0.00 0.00 36.82 39.69 1yx4 h ILE 71 CO 0.04 0.00 -0.22 0.28 -3.07 0.00 0.00 178.15 175.18 1yx4 h SER 72 N 0.00 0.63 1.15 2.19 0.02 0.15 0.38 113.55 118.07 1yx4 h SER 72 Ca 0.00 -0.46 -0.14 0.00 -0.84 0.00 0.00 61.79 60.35 1yx4 h SER 72 Cb 0.90 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1yx4 h SER 72 CO 0.00 0.96 -0.67 -0.61 -1.14 0.00 0.00 176.83 175.37 1yx4 h GLN 73 N 0.31 0.00 0.23 3.45 -0.00 -1.56 -2.66 115.11 114.89 1yx4 h GLN 73 Ca 0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 58.36 1yx4 h GLN 73 Cb 0.77 0.00 0.03 0.00 0.00 0.00 0.00 27.48 28.28 1yx4 h GLN 73 CO 0.06 0.67 -1.48 0.37 0.00 0.00 0.00 178.83 178.45 1yx4 h GLN 74 N 0.00 0.49 -0.12 1.69 -0.00 -1.42 -3.35 115.11 112.40 1yx4 h GLN 74 Ca -0.01 -0.83 -0.03 0.00 -0.00 0.00 0.00 58.65 57.78 1yx4 h GLN 74 Cb 1.43 0.31 -0.00 0.00 0.00 0.00 0.00 27.48 29.21 1yx4 h GLN 74 CO 0.09 1.40 -0.06 0.93 0.00 0.00 0.00 178.83 181.19 1yx4 h GLU 75 N 0.13 0.25 -4.97 1.69 4.39 -0.30 -3.35 114.58 112.42 1yx4 h GLU 75 Ca -0.25 -0.11 -0.71 0.00 0.34 0.00 0.00 59.36 58.63 1yx4 h GLU 75 Cb 2.14 -0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 30.61 1yx4 h GLU 75 CO 0.26 0.59 1.26 0.12 -1.16 0.00 0.00 179.01 180.08 1yx4 s PHE 76 N -4.58 3.29 0.00 4.33 5.36 -1.00 -4.48 117.98 120.90 1yx4 s PHE 76 Ca -0.14 -1.81 0.00 0.00 -0.96 0.00 0.00 56.93 54.01 1yx4 s PHE 76 Cb 0.05 -4.35 0.00 0.00 -0.34 0.00 0.00 43.02 38.38 1yx4 s PHE 76 CO 0.72 -1.48 0.00 0.41 -1.46 0.00 0.00 175.22 173.42 1yx4 n GLY 77 N 4.75 0.00 3.35 13.12 0.00 -1.26 -4.82 105.19 120.33 1yx4 n GLY 77 Ca 0.33 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.90 1yx4 n GLY 77 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yx4 s ARG 78 N -1.87 3.04 0.00 1.61 3.52 -1.26 -4.78 118.95 119.20 1yx4 s ARG 78 Ca 0.00 -1.51 0.14 0.00 -0.13 0.00 0.00 55.73 54.23 1yx4 s ARG 78 Cb 0.00 -4.29 0.23 0.00 -1.56 0.00 0.00 34.95 29.33 1yx4 s ARG 78 CO 0.00 -1.45 1.06 2.41 -0.81 0.00 0.00 175.30 176.50 1yx4 n THR 79 N 5.39 0.00 -1.33 4.11 -1.04 -1.26 -4.88 114.28 115.27 1yx4 n THR 79 Ca -0.11 -0.54 -0.27 0.00 -2.04 0.00 0.00 64.05 61.10 1yx4 n THR 79 Cb 0.42 0.73 0.13 0.00 -1.82 0.00 0.00 70.33 69.79 1yx4 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yx4 n GLY 80 N 0.27 5.19 3.16 3.41 0.00 -1.26 -4.76 105.19 111.20 1yx4 n GLY 80 Ca -0.02 -1.68 0.03 0.00 0.00 0.00 0.00 46.02 44.34 1yx4 n GLY 80 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1yx4 s LEU 81 N -3.53 -1.45 -0.20 0.99 2.34 -1.26 -5.12 118.68 110.45 1yx4 s LEU 81 Ca 0.59 -0.29 -0.29 0.00 0.06 0.00 0.00 54.13 54.19 1yx4 s LEU 81 Cb 0.48 1.87 -0.02 0.00 -0.56 0.00 0.00 46.19 47.97 1yx4 s LEU 81 CO 0.05 -0.21 1.40 -2.16 -1.06 0.00 0.00 176.35 174.37 1yx4 s PRO 82 N 2.33 4.05 -0.82 1.48 0.04 -1.26 -4.94 135.00 135.87 1yx4 s PRO 82 Ca 0.14 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.82 1yx4 s PRO 82 Cb -0.06 -3.88 0.31 0.00 0.04 0.00 0.00 34.50 30.90 1yx4 s PRO 82 CO -0.16 -0.96 1.25 -0.25 0.04 0.00 0.00 177.00 176.91 1yx4 n ASP 83 N 7.35 5.49 -0.20 6.66 9.92 -1.26 -4.84 116.55 139.67 1yx4 n ASP 83 Ca 0.16 -3.57 0.02 0.00 -0.53 0.00 0.00 54.79 50.86 1yx4 n ASP 83 Cb 0.45 -0.90 0.27 0.00 -0.64 0.00 0.00 41.12 40.30 1yx4 n ASP 83 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1yx4 h LEU 84 N 4.11 0.82 -1.70 0.64 4.07 -1.95 -0.90 115.31 120.40 1yx4 h LEU 84 Ca 0.27 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1yx4 h LEU 84 Cb 0.52 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1yx4 h LEU 84 CO 1.03 0.58 -0.16 -1.28 -1.08 0.00 0.00 178.44 177.53 1yx4 h SER 85 N 0.96 0.00 -0.50 -0.43 0.87 -2.02 -2.31 113.55 110.11 1yx4 h SER 85 Ca 0.28 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.58 1yx4 h SER 85 Cb -0.06 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 61.75 1yx4 h SER 85 CO -0.07 0.16 0.09 -1.20 -0.53 0.00 0.00 176.83 175.28 1yx4 n SER 86 N -4.26 2.80 -4.66 6.23 7.64 -0.42 -4.98 113.62 115.96 1yx4 n SER 86 Ca -0.02 -3.73 -0.35 0.00 1.01 0.00 0.00 58.87 55.78 1yx4 n SER 86 Cb 0.23 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.65 1yx4 n SER 86 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1yx4 s MET 87 N -3.25 3.21 0.96 1.43 1.00 -0.70 -5.01 119.30 116.94 1yx4 s MET 87 Ca 0.48 -0.41 -0.12 0.00 0.00 0.00 0.00 55.69 55.64 1yx4 s MET 87 Cb 0.42 -2.87 0.17 0.00 0.00 0.00 0.00 34.83 32.55 1yx4 s MET 87 CO 0.02 0.59 1.10 0.95 0.00 0.00 0.00 175.02 177.68 1yx4 s THR 88 N -0.56 2.23 0.49 2.05 -4.23 -1.26 -4.76 115.64 109.59 1yx4 s THR 88 Ca 0.10 0.07 0.18 0.00 -1.18 0.00 0.00 61.69 60.85 1yx4 s THR 88 Cb -0.12 -2.60 0.33 0.00 1.34 0.00 0.00 72.50 71.45 1yx4 s THR 88 CO 0.02 -0.10 2.04 1.05 -0.54 0.00 0.00 174.62 177.10 1yx4 h GLU 89 N -1.76 0.16 0.14 3.99 4.11 -1.99 -1.28 114.58 117.95 1yx4 h GLU 89 Ca -0.53 -0.01 -0.28 0.00 0.07 0.00 0.00 59.36 58.61 1yx4 h GLU 89 Cb 1.32 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.54 1yx4 h GLU 89 CO 0.57 0.11 -1.25 0.93 0.07 0.00 0.00 179.01 179.44 1yx4 h GLU 90 N 0.17 0.32 0.41 1.06 5.08 -1.98 -2.87 114.58 116.77 1yx4 h GLU 90 Ca 0.17 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1yx4 h GLU 90 Cb 0.47 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1yx4 h GLU 90 CO -0.03 1.24 -0.41 1.49 -1.00 0.00 0.00 179.01 180.31 1yx4 h GLU 91 N 0.10 -0.78 -0.08 2.33 4.81 -1.56 0.62 114.58 120.00 1yx4 h GLU 91 Ca -0.15 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1yx4 h GLU 91 Cb 1.97 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 31.53 1yx4 h GLU 91 CO 0.21 -0.52 0.06 1.96 -0.73 0.00 0.00 179.01 179.99 1yx4 h GLN 92 N -0.81 0.00 -0.26 1.92 4.20 -1.64 -0.39 115.11 118.12 1yx4 h GLN 92 Ca -0.05 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1yx4 h GLN 92 Cb 0.71 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1yx4 h GLN 92 CO -0.05 0.00 -0.41 0.82 -0.67 0.00 0.00 178.83 178.52 1yx4 h ILE 93 N 0.00 1.30 -0.09 2.54 2.04 -1.00 -0.45 117.51 121.85 1yx4 h ILE 93 Ca 0.04 -1.58 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 1yx4 h ILE 93 Cb 0.16 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1yx4 h ILE 93 CO -0.00 0.50 -0.10 0.00 0.00 0.00 0.00 178.15 178.55 1yx4 h ALA 94 N 1.04 1.67 0.13 1.87 0.00 0.20 0.58 119.26 124.74 1yx4 h ALA 94 Ca 0.04 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1yx4 h ALA 94 Cb 0.93 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1yx4 h ALA 94 CO 0.08 0.25 -1.15 -0.92 0.00 0.00 0.00 179.25 177.51 1yx4 h TYR 95 N 0.13 0.50 0.00 0.00 5.03 -1.26 -2.61 116.97 118.76 1yx4 h TYR 95 Ca 0.03 -0.37 -0.11 0.00 2.58 0.00 0.00 58.73 60.86 1yx4 h TYR 95 Cb 0.27 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 1yx4 h TYR 95 CO 0.00 1.45 -0.52 0.00 -1.32 0.00 0.00 178.16 177.77 1yx4 h ALA 96 N 0.01 0.96 0.00 1.82 0.00 -0.89 -2.82 119.26 118.33 1yx4 h ALA 96 Ca -0.23 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 1yx4 h ALA 96 Cb 1.72 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1yx4 h ALA 96 CO 0.10 0.64 -0.73 1.98 0.00 0.00 0.00 179.25 181.25 1yx4 h MET 97 N 0.00 0.00 0.00 0.00 1.85 0.05 -2.63 114.93 114.21 1yx4 h MET 97 Ca -0.01 0.00 -0.21 0.00 -0.61 0.00 0.00 59.70 58.88 1yx4 h MET 97 Cb 1.03 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.06 1yx4 h MET 97 CO 0.07 0.38 -0.90 0.37 -0.40 0.00 0.00 176.91 176.42 1yx4 h GLN 98 N 0.00 0.27 0.00 0.39 4.15 -1.32 -2.57 115.11 116.03 1yx4 h GLN 98 Ca -0.04 -0.30 -0.18 0.00 0.77 0.00 0.00 58.65 58.90 1yx4 h GLN 98 Cb 1.38 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 29.13 1yx4 h GLN 98 CO 0.05 1.01 -1.12 0.52 -1.93 0.00 0.00 178.83 177.37 1yx4 h MET 99 N 0.15 0.00 0.00 1.69 2.86 -1.58 -3.31 114.93 114.75 1yx4 h MET 99 Ca -0.06 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1yx4 h MET 99 Cb 1.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 1yx4 h MET 99 CO 0.14 0.53 -0.33 0.77 1.06 0.00 0.00 176.91 179.08 1yx4 h SER 100 N 0.00 0.00 0.00 1.22 0.02 -1.50 -2.82 113.55 110.47 1yx4 h SER 100 Ca -0.11 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.31 1yx4 h SER 100 Cb 1.64 0.00 0.03 0.00 0.14 0.00 0.00 62.40 64.20 1yx4 h SER 100 CO 0.07 0.33 2.60 0.18 -1.14 0.00 0.00 176.83 178.88 1yx4 n LEU 101 N -3.22 4.97 -3.52 5.07 4.32 -0.97 -4.33 117.00 119.32 1yx4 n LEU 101 Ca 0.02 -3.08 -0.26 0.00 -0.02 0.00 0.00 56.01 52.67 1yx4 n LEU 101 Cb 0.63 -1.18 0.01 0.00 -1.62 0.00 0.00 43.42 41.27 1yx4 n LEU 101 CO 0.38 0.35 0.01 0.00 -1.22 0.00 0.00 177.39 176.90 1yx4 n GLN 102 N 5.46 -4.23 -3.96 3.23 6.02 -1.26 -4.92 117.38 117.71 1yx4 n GLN 102 Ca 0.49 0.57 -0.30 0.00 -0.01 0.00 0.00 57.00 57.75 1yx4 n GLN 102 Cb 0.27 -5.36 -0.14 0.00 1.02 0.00 0.00 30.24 26.02 1yx4 n GLN 102 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1yx4 s GLY 103 N -2.91 2.28 -0.30 1.08 0.00 -1.06 -5.03 107.32 101.37 1yx4 s GLY 103 Ca 0.48 -3.04 -0.02 0.00 0.00 0.00 0.00 44.72 42.14 1yx4 s GLY 103 CO 0.59 1.00 0.62 0.00 0.00 0.00 0.00 173.10 175.32 1yx4 s ALA 104 N 0.08 -2.31 0.15 3.20 0.00 -1.26 -4.52 121.76 117.10 1yx4 s ALA 104 Ca 0.15 1.85 -0.13 0.00 0.00 0.00 0.00 51.96 53.83 1yx4 s ALA 104 Cb -0.24 -2.17 0.03 0.00 0.00 0.00 0.00 23.12 20.74 1yx4 s ALA 104 CO -0.02 -1.32 1.66 0.93 0.00 0.00 0.00 175.76 177.00 1yx4 h GLU 105 N 8.00 0.84 -2.15 0.00 5.08 -1.97 -3.36 114.58 121.01 1yx4 h GLU 105 Ca -0.22 -0.21 -0.57 0.00 -1.00 0.00 0.00 59.36 57.35 1yx4 h GLU 105 Cb 1.16 -0.11 -0.39 0.00 0.50 0.00 0.00 28.75 29.91 1yx4 h GLU 105 CO 0.24 0.80 -0.98 1.19 -1.00 0.00 0.00 179.01 179.26 1yx4 n PHE 106 N -4.43 0.33 -2.68 4.33 3.72 -1.26 -4.92 117.46 112.55 1yx4 n PHE 106 Ca 0.02 -3.64 -0.08 0.00 -0.05 0.00 0.00 57.45 53.69 1yx4 n PHE 106 Cb 0.23 -0.28 0.07 0.00 -0.94 0.00 0.00 39.48 38.56 1yx4 n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yx4 n GLY 107 N 1.61 1.44 3.10 1.37 0.00 -1.26 -5.07 105.19 106.39 1yx4 n GLY 107 Ca 0.24 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 1yx4 n GLY 107 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yx4 s GLN 108 N -1.81 0.42 0.01 1.61 -0.21 -1.26 -5.02 119.66 113.40 1yx4 s GLN 108 Ca 0.25 0.83 0.00 0.00 0.02 0.00 0.00 55.36 56.46 1yx4 s GLN 108 Cb 0.44 0.06 0.00 0.00 1.00 0.00 0.00 33.01 34.51 1yx4 s GLN 108 CO -0.01 -0.53 0.00 0.00 -2.12 0.00 0.00 175.29 172.63 1yx4 n ALA 109 N 5.39 3.00 -3.78 6.09 0.00 -1.26 -4.98 120.51 124.98 1yx4 n ALA 109 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 1yx4 n ALA 109 Cb 0.50 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 1yx4 n ALA 109 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1yx4 n GLU 110 N -2.56 1.54 0.01 0.00 4.07 -1.26 -4.88 120.64 117.56 1yx4 n GLU 110 Ca 0.00 -4.24 0.00 0.00 -0.06 0.00 0.00 57.16 52.86 1yx4 n GLU 110 Cb 0.00 -2.16 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 1yx4 n GLU 110 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1yx4 n SER 111 N 2.07 -0.00 0.00 4.31 2.88 -1.26 -5.32 113.62 116.30 1yx4 n SER 111 Ca 0.22 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1yx4 n SER 111 Cb 0.38 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1yx4 n SER 111 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81