#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 0.22 -0.73 -0.41 0.00 -1.26 -5.01 117.12 109.92 1yx4 n MET 2 Ca 0.00 -1.54 -0.02 0.00 0.00 0.00 0.00 57.70 56.14 1yx4 n MET 2 Cb 0.00 -0.37 0.20 0.00 0.00 0.00 0.00 33.22 33.05 1yx4 n MET 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1yx4 n LEU 3 N 0.00 3.95 -0.00 4.03 7.94 -1.26 -4.59 117.00 127.07 1yx4 n LEU 3 Ca 0.09 -3.69 -0.17 0.00 -1.11 0.00 0.00 56.01 51.14 1yx4 n LEU 3 Cb 0.33 -0.61 -0.14 0.00 0.53 0.00 0.00 43.42 43.53 1yx4 n LEU 3 CO 0.23 1.19 -0.68 1.23 -1.11 0.00 0.00 177.39 178.25 1yx4 h GLY 4 N 1.05 0.20 1.71 -3.96 0.00 -2.02 -3.37 103.07 96.68 1yx4 h GLY 4 Ca 0.18 -0.51 -0.23 0.00 0.00 0.00 0.00 47.33 46.77 1yx4 h GLY 4 CO 0.33 0.44 -1.03 -2.00 0.00 0.00 0.00 176.54 174.29 1yx4 h LEU 5 N 0.05 0.34 -8.57 3.11 5.85 -2.02 -3.41 115.31 110.65 1yx4 h LEU 5 Ca -0.37 -0.31 -0.68 0.00 0.84 0.00 0.00 57.88 57.37 1yx4 h LEU 5 Cb 2.03 -0.11 -0.17 0.00 0.37 0.00 0.00 40.66 42.78 1yx4 h LEU 5 CO 0.09 1.17 -0.09 -0.83 -0.34 0.00 0.00 178.44 178.44 1yx4 s GLY 6 N -4.56 1.83 -0.27 3.75 0.00 -1.26 -4.90 107.32 101.90 1yx4 s GLY 6 Ca -0.03 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.18 1yx4 s GLY 6 CO 0.85 1.29 -0.30 0.00 0.00 0.00 0.00 173.10 174.94 1yx4 n ALA 7 N 5.83 1.21 0.18 3.20 0.00 -1.26 -4.47 120.51 125.19 1yx4 n ALA 7 Ca -0.05 -1.07 0.07 0.00 0.00 0.00 0.00 53.44 52.38 1yx4 n ALA 7 Cb 0.48 0.06 0.14 0.00 0.00 0.00 0.00 19.45 20.12 1yx4 n ALA 7 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1yx4 h SER 8 N -0.85 0.00 -0.42 0.00 0.02 -1.98 -3.23 113.55 107.08 1yx4 h SER 8 Ca -0.67 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.34 1yx4 h SER 8 Cb 1.65 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.16 1yx4 h SER 8 CO -0.37 0.30 0.29 0.44 -1.14 0.00 0.00 176.83 176.35 1yx4 h ASP 9 N 0.00 0.26 -2.62 3.07 5.19 -1.96 -3.38 116.42 116.98 1yx4 h ASP 9 Ca -0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 1yx4 h ASP 9 Cb 1.17 -0.06 -0.37 0.00 0.18 0.00 0.00 39.33 40.25 1yx4 h ASP 9 CO 0.04 0.17 -0.68 -0.36 -3.12 0.00 0.00 179.24 175.30 1yx4 s PHE 10 N -5.30 -0.12 -0.16 4.55 0.08 -1.22 -4.98 117.98 110.84 1yx4 s PHE 10 Ca -0.07 -0.10 0.07 0.00 0.12 0.00 0.00 56.93 56.95 1yx4 s PHE 10 Cb 0.19 -0.52 0.20 0.00 -0.57 0.00 0.00 43.02 42.31 1yx4 s PHE 10 CO 0.73 -0.66 1.25 -1.91 -0.10 0.00 0.00 175.22 174.53 1yx4 n GLU 11 N 5.30 0.65 0.00 0.44 4.07 -1.26 -4.87 120.64 124.97 1yx4 n GLU 11 Ca -0.05 -1.14 0.00 0.00 -0.06 0.00 0.00 57.16 55.90 1yx4 n GLU 11 Cb 0.48 0.43 0.00 0.00 -0.06 0.00 0.00 31.44 32.29 1yx4 n GLU 11 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1yx4 n PHE 12 N -0.71 -0.84 -2.30 4.31 -0.00 -1.26 -4.86 117.46 111.80 1yx4 n PHE 12 Ca -0.22 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 56.89 1yx4 n PHE 12 Cb 0.79 0.17 0.02 0.00 -0.00 0.00 0.00 39.48 40.45 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 -1.43 5.78 1.20 7.13 0.00 -1.26 -4.61 105.19 112.01 1yx4 n GLY 13 Ca 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.39 1yx4 n GLY 13 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1yx4 n VAL 14 N -0.44 0.00 -4.08 1.61 0.31 -1.26 -5.12 118.33 109.34 1yx4 n VAL 14 Ca 0.46 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.63 1yx4 n VAL 14 Cb 0.41 -1.20 -0.03 0.00 -0.91 0.00 0.00 33.84 32.11 1yx4 n VAL 14 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1yx4 n ASP 15 N -2.84 -1.37 -4.40 4.52 9.92 -1.26 -4.99 116.55 116.12 1yx4 n ASP 15 Ca 0.00 -2.96 -0.21 0.00 -0.53 0.00 0.00 54.79 51.09 1yx4 n ASP 15 Cb 0.37 2.57 -0.11 0.00 -0.64 0.00 0.00 41.12 43.31 1yx4 n ASP 15 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1yx4 n PRO 16 N -0.60 0.28 -2.79 -0.24 -0.04 -1.26 -2.67 135.00 127.68 1yx4 n PRO 16 Ca 0.01 -1.70 -0.09 0.00 -0.04 0.00 0.00 63.50 61.68 1yx4 n PRO 16 Cb 0.60 -3.70 0.04 0.00 -0.04 0.00 0.00 33.50 30.40 1yx4 n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1yx4 n SER 17 N 17.62 -2.59 -2.11 3.54 2.88 -1.26 -2.75 113.62 128.94 1yx4 n SER 17 Ca 0.42 -0.29 -0.05 0.00 -1.33 0.00 0.00 58.87 57.63 1yx4 n SER 17 Cb 0.46 -2.74 -0.01 0.00 -0.75 0.00 0.00 64.21 61.17 1yx4 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yx4 n ALA 18 N -2.85 -0.68 -3.39 -1.46 0.00 -1.09 -4.82 120.51 106.22 1yx4 n ALA 18 Ca -0.10 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1yx4 n ALA 18 Cb 0.57 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 1yx4 n ALA 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yx4 s ASP 19 N -1.85 -0.62 0.16 0.00 1.01 -1.11 -5.00 116.67 109.26 1yx4 s ASP 19 Ca 0.00 0.80 -0.04 0.00 0.71 0.00 0.00 52.55 54.02 1yx4 s ASP 19 Cb 0.00 1.68 0.00 0.00 1.01 0.00 0.00 42.92 45.62 1yx4 s ASP 19 CO 0.00 -0.12 1.40 1.55 0.21 0.00 0.00 175.17 178.21 1yx4 h PRO 20 N 7.57 0.50 -0.04 8.23 0.13 -1.88 -3.07 132.00 143.45 1yx4 h PRO 20 Ca -0.16 -0.41 -0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1yx4 h PRO 20 Cb 1.12 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1yx4 h PRO 20 CO 0.07 1.04 0.01 1.49 -0.23 0.00 0.00 178.00 180.39 1yx4 h GLU 21 N 0.34 0.06 -0.12 0.86 4.57 -1.96 -2.40 114.58 115.93 1yx4 h GLU 21 Ca -0.04 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1yx4 h GLU 21 Cb 1.33 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1yx4 h GLU 21 CO 0.13 0.21 0.09 -0.07 -1.18 0.00 0.00 179.01 178.20 1yx4 h LEU 22 N -0.11 0.00 -0.34 1.64 4.07 -1.89 -0.77 115.31 117.91 1yx4 h LEU 22 Ca 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 1yx4 h LEU 22 Cb 0.17 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1yx4 h LEU 22 CO -0.00 0.00 0.01 0.00 -1.08 0.00 0.00 178.44 177.37 1yx4 h ALA 23 N 1.93 0.46 -0.14 1.53 0.00 -1.33 -1.87 119.26 119.84 1yx4 h ALA 23 Ca 0.06 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 1yx4 h ALA 23 Cb 0.24 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1yx4 h ALA 23 CO -0.00 0.21 -0.76 -0.07 0.00 0.00 0.00 179.25 178.63 1yx4 h LEU 24 N 0.41 0.82 -0.44 0.00 -0.00 -1.08 -2.58 115.31 112.45 1yx4 h LEU 24 Ca 0.10 -0.54 0.01 0.00 -0.00 0.00 0.00 57.88 57.45 1yx4 h LEU 24 Cb 0.44 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 1yx4 h LEU 24 CO 0.02 1.32 0.28 0.00 -0.00 0.00 0.00 178.44 180.06 1yx4 h ALA 25 N 0.66 0.55 0.00 1.53 0.00 -1.11 -0.84 119.26 120.06 1yx4 h ALA 25 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1yx4 h ALA 25 Cb 1.38 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1yx4 h ALA 25 CO 0.15 -0.01 -0.08 1.25 0.00 0.00 0.00 179.25 180.57 1yx4 h LEU 26 N 0.58 0.00 -0.09 0.00 5.85 -1.36 -2.58 115.31 117.70 1yx4 h LEU 26 Ca 0.16 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.73 1yx4 h LEU 26 Cb -0.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1yx4 h LEU 26 CO -0.04 0.08 -0.74 0.03 -0.34 0.00 0.00 178.44 177.43 1yx4 h ARG 27 N 0.00 0.00 0.00 1.25 3.08 -0.86 -2.78 114.38 115.07 1yx4 h ARG 27 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1yx4 h ARG 27 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1yx4 h ARG 27 CO 0.01 0.74 -0.75 0.28 -1.07 0.00 0.00 179.97 179.18 1yx4 h VAL 28 N 0.00 1.32 0.00 2.04 2.07 -0.82 -2.84 116.25 118.03 1yx4 h VAL 28 Ca -0.01 -2.78 -0.06 0.00 0.82 0.00 0.00 66.70 64.68 1yx4 h VAL 28 Cb 1.53 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.90 1yx4 h VAL 28 CO 0.10 0.73 -0.23 -1.28 0.02 0.00 0.00 177.57 176.91 1yx4 h SER 29 N 0.00 0.19 -0.83 0.57 0.87 -1.47 -2.79 113.55 110.09 1yx4 h SER 29 Ca -0.01 -0.80 -0.02 0.00 -1.23 0.00 0.00 61.79 59.73 1yx4 h SER 29 Cb 1.54 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 63.40 1yx4 h SER 29 CO 0.10 0.97 0.43 -0.03 -0.53 0.00 0.00 176.83 177.76 1yx4 h MET 30 N -0.56 1.18 -0.62 2.24 -1.53 -1.59 -2.35 114.93 111.69 1yx4 h MET 30 Ca -0.03 -0.16 -0.04 0.00 -3.44 0.00 0.00 59.70 56.03 1yx4 h MET 30 Cb 1.01 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 31.81 1yx4 h MET 30 CO 0.04 0.89 0.21 1.49 0.14 0.00 0.00 176.91 179.69 1yx4 h GLU 31 N 1.17 0.93 -0.59 0.39 4.22 -1.58 -2.21 114.58 116.91 1yx4 h GLU 31 Ca 0.29 -0.17 -0.04 0.00 0.08 0.00 0.00 59.36 59.52 1yx4 h GLU 31 Cb 0.07 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1yx4 h GLU 31 CO -0.04 0.79 0.22 0.93 -2.18 0.00 0.00 179.01 178.72 1yx4 h GLU 32 N 0.91 0.87 -0.33 1.92 5.08 -1.14 -2.09 114.58 119.80 1yx4 h GLU 32 Ca 0.21 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1yx4 h GLU 32 Cb 0.23 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1yx4 h GLU 32 CO -0.01 0.73 -0.34 1.96 -1.00 0.00 0.00 179.01 180.35 1yx4 h GLN 33 N 0.85 0.81 -0.29 2.33 4.20 -1.11 -2.55 115.11 119.35 1yx4 h GLN 33 Ca 0.20 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1yx4 h GLN 33 Cb 0.20 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1yx4 h GLN 33 CO -0.01 1.06 0.17 -0.09 -0.67 0.00 0.00 178.83 179.29 1yx4 h ARG 34 N 0.58 0.39 -0.94 1.46 9.65 -1.10 0.18 114.38 124.60 1yx4 h ARG 34 Ca 0.05 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1yx4 h ARG 34 Cb 0.92 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 29.37 1yx4 h ARG 34 CO 0.08 0.30 0.62 1.96 2.80 0.00 0.00 179.97 185.74 1yx4 h GLN 35 N 0.36 1.24 -0.21 0.20 4.20 -1.37 0.57 115.11 120.10 1yx4 h GLN 35 Ca 0.10 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1yx4 h GLN 35 Cb 0.01 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.51 1yx4 h GLN 35 CO -0.02 0.83 -0.28 0.00 -0.67 0.00 0.00 178.83 178.69 1yx4 h ARG 36 N 1.28 0.56 0.00 1.46 3.08 -1.04 -1.04 114.38 118.67 1yx4 h ARG 36 Ca 0.35 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1yx4 h ARG 36 Cb -0.14 0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1yx4 h ARG 36 CO -0.07 0.92 0.00 1.96 -1.07 0.00 0.00 179.97 181.71 1yx4 h GLN 37 N 0.23 0.00 0.00 0.04 1.08 -0.31 -2.71 115.11 113.44 1yx4 h GLN 37 Ca 0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1yx4 h GLN 37 Cb 0.85 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1yx4 h GLN 37 CO 0.07 0.00 -0.25 1.49 -0.95 0.00 0.00 178.83 179.19 1yx4 h GLU 38 N 0.00 0.00 -0.72 1.46 4.81 0.30 -0.30 114.58 120.13 1yx4 h GLU 38 Ca 0.00 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 1yx4 h GLU 38 Cb 0.63 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1yx4 h GLU 38 CO 0.00 0.08 0.51 0.93 -0.73 0.00 0.00 179.01 179.80 1yx4 h GLU 39 N -1.00 0.11 0.11 1.92 5.08 -1.28 0.55 114.58 120.07 1yx4 h GLU 39 Ca -0.01 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1yx4 h GLU 39 Cb 0.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1yx4 h GLU 39 CO -0.01 0.07 -1.51 1.49 -1.00 0.00 0.00 179.01 178.06 1yx4 h GLU 40 N 0.11 0.22 0.17 2.33 4.81 -1.60 -2.86 114.58 117.78 1yx4 h GLU 40 Ca 0.35 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1yx4 h GLU 40 Cb 1.22 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1yx4 h GLU 40 CO -0.04 1.08 -0.08 0.00 -0.73 0.00 0.00 179.01 179.24 1yx4 h ALA 41 N 0.54 -0.23 -0.34 2.92 0.00 0.10 -2.80 119.26 119.46 1yx4 h ALA 41 Ca -0.23 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1yx4 h ALA 41 Cb 2.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 1yx4 h ALA 41 CO 0.16 -0.29 0.17 0.00 0.00 0.00 0.00 179.25 179.28 1yx4 h ARG 42 N -0.90 0.34 -0.57 0.00 3.08 -0.21 -0.37 114.38 115.76 1yx4 h ARG 42 Ca -0.02 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.10 1yx4 h ARG 42 Cb 0.51 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 1yx4 h ARG 42 CO 0.04 0.23 0.18 -0.09 -1.07 0.00 0.00 179.97 179.25 1yx4 h ARG 43 N 0.35 0.33 0.00 0.04 1.12 -1.60 0.23 114.38 114.85 1yx4 h ARG 43 Ca 0.14 -0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.95 1yx4 h ARG 43 Cb 0.05 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.93 1yx4 h ARG 43 CO -0.10 0.22 -0.22 0.00 -3.11 0.00 0.00 179.97 176.76 1yx4 h ALA 44 N 1.41 1.10 0.06 2.80 0.00 -1.16 -2.44 119.26 121.03 1yx4 h ALA 44 Ca 0.29 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 1yx4 h ALA 44 Cb 0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yx4 h ALA 44 CO -0.32 0.28 -1.07 0.00 0.00 0.00 0.00 179.25 178.15 1yx4 h ALA 45 N 1.78 0.28 -0.12 0.00 0.00 0.10 -2.62 119.26 118.68 1yx4 h ALA 45 Ca -0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 54.91 53.87 1yx4 h ALA 45 Cb 0.65 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1yx4 h ALA 45 CO 0.03 0.95 -0.82 0.00 0.00 0.00 0.00 179.25 179.42 1yx4 h ALA 46 N 0.75 0.32 -0.34 0.00 0.00 -0.45 -2.40 119.26 117.14 1yx4 h ALA 46 Ca -0.09 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.07 1yx4 h ALA 46 Cb 1.76 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1yx4 h ALA 46 CO 0.17 0.70 -0.30 0.00 0.00 0.00 0.00 179.25 179.82 1yx4 h ALA 47 N 0.58 0.50 0.00 0.00 0.00 -1.52 -2.74 119.26 116.08 1yx4 h ALA 47 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1yx4 h ALA 47 Cb 1.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1yx4 h ALA 47 CO 0.16 0.53 0.00 0.77 0.00 0.00 0.00 179.25 180.71 1yx4 h SER 48 N 0.59 0.00 0.79 0.00 0.02 -1.51 0.36 113.55 113.80 1yx4 h SER 48 Ca 0.06 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.76 1yx4 h SER 48 Cb 0.88 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 1yx4 h SER 48 CO 0.08 0.00 -1.23 0.00 -1.14 0.00 0.00 176.83 174.54 1yx4 h ALA 49 N 2.12 0.40 0.00 3.77 0.00 -1.18 0.85 119.26 125.22 1yx4 h ALA 49 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1yx4 h ALA 49 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1yx4 h ALA 49 CO 0.00 1.27 -1.70 0.00 0.00 0.00 0.00 179.25 178.83 1yx4 n ALA 50 N -2.45 2.83 -0.10 0.00 0.00 -1.06 -3.55 120.51 116.18 1yx4 n ALA 50 Ca -0.06 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.81 1yx4 n ALA 50 Cb 0.98 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 1yx4 n ALA 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1yx4 n GLU 51 N -2.04 0.54 -0.19 0.00 2.13 0.13 -4.53 120.64 116.68 1yx4 n GLU 51 Ca -0.03 0.23 0.12 0.00 0.66 0.00 0.00 57.16 58.14 1yx4 n GLU 51 Cb 0.44 -1.45 0.21 0.00 0.27 0.00 0.00 31.44 30.91 1yx4 n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yx4 n ALA 52 N -4.39 2.42 -0.52 4.31 0.00 -1.01 -4.16 120.51 117.17 1yx4 n ALA 52 Ca -0.25 -1.00 0.08 0.00 0.00 0.00 0.00 53.44 52.28 1yx4 n ALA 52 Cb 0.61 -0.87 0.27 0.00 0.00 0.00 0.00 19.45 19.45 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 1.52 3.00 0.41 0.00 0.00 0.29 -4.33 105.19 106.07 1yx4 n GLY 53 Ca 0.19 -0.72 0.10 0.00 0.00 0.00 0.00 46.02 45.60 1yx4 n GLY 53 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1yx4 n ILE 54 N 0.63 0.00 -1.98 -0.61 3.06 -1.26 -4.61 119.36 114.60 1yx4 n ILE 54 Ca 0.20 -0.24 -0.40 0.00 -2.50 0.00 0.00 62.75 59.81 1yx4 n ILE 54 Cb 0.71 1.21 -0.01 0.00 0.54 0.00 0.00 39.64 42.10 1yx4 n ILE 54 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1yx4 n ALA 55 N -0.24 6.60 -2.64 1.51 0.00 -1.26 -4.27 120.51 120.21 1yx4 n ALA 55 Ca 0.08 -4.07 -0.03 0.00 0.00 0.00 0.00 53.44 49.42 1yx4 n ALA 55 Cb 0.43 -2.89 0.07 0.00 0.00 0.00 0.00 19.45 17.07 1yx4 n ALA 55 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1yx4 n THR 56 N 2.28 0.00 -4.14 0.00 5.66 -1.26 -5.12 114.28 111.70 1yx4 n THR 56 Ca 0.60 -0.87 -0.34 0.00 -3.05 0.00 0.00 64.05 60.39 1yx4 n THR 56 Cb 0.27 0.82 -0.15 0.00 -1.55 0.00 0.00 70.33 69.72 1yx4 n THR 56 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1yx4 s THR 57 N 0.10 2.88 0.00 1.09 -4.23 -1.26 -5.05 115.64 109.17 1yx4 s THR 57 Ca 0.10 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1yx4 s THR 57 Cb 0.27 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1yx4 s THR 57 CO -0.07 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 1yx4 n GLY 58 N 4.52 2.23 2.97 3.99 0.00 -1.26 -5.15 105.19 112.49 1yx4 n GLY 58 Ca -0.19 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1yx4 n GLY 58 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yx4 s THR 59 N -1.09 -0.50 -0.35 2.61 -1.32 -1.26 -5.04 115.64 108.69 1yx4 s THR 59 Ca 0.00 0.07 0.13 0.00 -1.21 0.00 0.00 61.69 60.67 1yx4 s THR 59 Cb 0.00 -0.65 0.45 0.00 -1.51 0.00 0.00 72.50 70.79 1yx4 s THR 59 CO 0.00 -0.03 1.06 -0.62 -2.21 0.00 0.00 174.62 172.82 1yx4 n GLU 60 N 5.36 2.37 -1.54 7.08 1.02 -1.26 -5.03 120.64 128.64 1yx4 n GLU 60 Ca -0.06 -3.85 -0.31 0.00 -0.02 0.00 0.00 57.16 52.92 1yx4 n GLU 60 Cb 0.50 -1.79 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 1yx4 n GLU 60 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1yx4 n ASP 61 N -0.38 1.76 -4.28 1.62 9.92 -1.26 -4.71 116.55 119.22 1yx4 n ASP 61 Ca 0.24 -0.66 -0.08 0.00 -0.53 0.00 0.00 54.79 53.76 1yx4 n ASP 61 Cb 0.78 -1.47 -0.06 0.00 -0.64 0.00 0.00 41.12 39.73 1yx4 n ASP 61 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1yx4 n SER 62 N 15.43 -0.20 -0.03 -2.24 7.64 -1.26 -4.65 113.62 128.30 1yx4 n SER 62 Ca 0.45 -1.97 -0.14 0.00 1.01 0.00 0.00 58.87 58.22 1yx4 n SER 62 Cb 0.44 -1.17 -0.10 0.00 -1.01 0.00 0.00 64.21 62.36 1yx4 n SER 62 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1yx4 h ASP 63 N 10.37 0.10 0.64 6.43 3.58 -2.01 -2.78 116.42 132.74 1yx4 h ASP 63 Ca 0.01 -0.65 -0.12 0.00 0.42 0.00 0.00 57.03 56.69 1yx4 h ASP 63 Cb 0.98 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.99 1yx4 h ASP 63 CO 1.02 0.73 -0.58 0.44 -2.88 0.00 0.00 179.24 177.96 1yx4 h ASP 64 N -0.52 0.00 -0.24 2.28 3.32 -1.99 -2.90 116.42 116.37 1yx4 h ASP 64 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1yx4 h ASP 64 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1yx4 h ASP 64 CO 0.02 0.58 0.16 0.00 -1.72 0.00 0.00 179.24 178.27 1yx4 h ALA 65 N 1.42 0.30 0.00 3.45 0.00 -1.92 0.56 119.26 123.07 1yx4 h ALA 65 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1yx4 h ALA 65 Cb 1.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1yx4 h ALA 65 CO 0.08 -0.22 -0.04 1.25 0.00 0.00 0.00 179.25 180.32 1yx4 h LEU 66 N 0.32 0.00 -0.07 0.00 5.85 -1.38 0.60 115.31 120.63 1yx4 h LEU 66 Ca 0.09 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.57 1yx4 h LEU 66 Cb -0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1yx4 h LEU 66 CO -0.02 0.04 -1.05 0.25 -0.34 0.00 0.00 178.44 177.32 1yx4 h LEU 67 N 0.00 0.44 0.00 2.25 6.46 -0.88 -2.83 115.31 120.76 1yx4 h LEU 67 Ca -0.00 -0.40 -0.02 0.00 -0.12 0.00 0.00 57.88 57.34 1yx4 h LEU 67 Cb 0.07 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1yx4 h LEU 67 CO 0.00 1.24 -0.19 0.50 -0.62 0.00 0.00 178.44 179.37 1yx4 h LYS 68 N 0.15 0.00 -0.93 1.25 3.64 0.13 -2.91 116.57 117.90 1yx4 h LYS 68 Ca -0.10 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1yx4 h LYS 68 Cb 1.73 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.47 1yx4 h LYS 68 CO 0.17 0.31 0.56 0.52 -2.27 0.00 0.00 179.45 178.75 1yx4 h MET 69 N -1.00 0.88 -0.41 1.90 2.86 -0.02 0.96 114.93 120.09 1yx4 h MET 69 Ca -0.03 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 1yx4 h MET 69 Cb 0.43 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1yx4 h MET 69 CO -0.02 0.58 -0.23 1.15 1.06 0.00 0.00 176.91 179.45 1yx4 h THR 70 N 0.90 1.28 0.00 2.22 2.02 -1.65 -2.82 112.91 114.86 1yx4 h THR 70 Ca 0.46 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1yx4 h THR 70 Cb 0.45 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1yx4 h THR 70 CO -0.26 0.47 -0.19 -0.29 0.37 0.00 0.00 175.52 175.61 1yx4 h ILE 71 N 0.70 0.00 -0.19 3.11 6.09 -1.14 -2.86 117.51 123.22 1yx4 h ILE 71 Ca 0.09 -0.84 -0.18 0.00 -1.37 0.00 0.00 64.86 62.56 1yx4 h ILE 71 Cb 0.81 1.73 -0.00 0.00 0.47 0.00 0.00 36.82 39.83 1yx4 h ILE 71 CO 0.07 0.00 -0.61 0.28 -3.07 0.00 0.00 178.15 174.81 1yx4 h SER 72 N 0.00 0.74 0.94 2.19 0.02 0.11 0.24 113.55 117.78 1yx4 h SER 72 Ca 0.00 -0.42 -0.20 0.00 -0.84 0.00 0.00 61.79 60.33 1yx4 h SER 72 Cb 0.92 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1yx4 h SER 72 CO 0.00 1.17 -1.13 1.56 -1.14 0.00 0.00 176.83 177.30 1yx4 h GLN 73 N 0.48 0.00 0.19 3.45 7.50 -1.55 -2.85 115.11 122.32 1yx4 h GLN 73 Ca -0.01 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.81 1yx4 h GLN 73 Cb 1.19 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.74 1yx4 h GLN 73 CO 0.12 0.67 -1.65 0.37 -1.50 0.00 0.00 178.83 176.83 1yx4 h GLN 74 N 0.00 0.40 -0.16 1.46 4.15 -1.49 -3.35 115.11 116.12 1yx4 h GLN 74 Ca -0.10 -0.68 -0.16 0.00 0.77 0.00 0.00 58.65 58.48 1yx4 h GLN 74 Cb 1.72 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 29.66 1yx4 h GLN 74 CO 0.09 1.33 -0.56 1.49 -1.93 0.00 0.00 178.83 179.25 1yx4 h GLU 75 N 0.05 0.50 -6.25 1.69 4.22 -0.66 -3.42 114.58 110.71 1yx4 h GLU 75 Ca -0.32 -0.32 -0.57 0.00 0.08 0.00 0.00 59.36 58.23 1yx4 h GLU 75 Cb 2.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.33 1yx4 h GLU 75 CO 0.18 0.92 1.22 0.12 -2.18 0.00 0.00 179.01 179.27 1yx4 s PHE 76 N -3.95 1.83 0.00 0.92 5.36 -1.08 -3.20 117.98 117.87 1yx4 s PHE 76 Ca -0.07 0.47 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 1yx4 s PHE 76 Cb 0.11 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.75 1yx4 s PHE 76 CO 0.83 -3.33 0.00 0.41 -1.46 0.00 0.00 175.22 171.67 1yx4 n GLY 77 N 4.99 3.42 0.57 13.12 0.00 -1.26 -4.92 105.19 121.11 1yx4 n GLY 77 Ca 0.21 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 1yx4 n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1yx4 n ARG 78 N 0.00 0.29 -3.40 1.61 0.63 -1.21 -5.03 116.66 109.55 1yx4 n ARG 78 Ca 0.00 0.13 -0.13 0.00 -0.92 0.00 0.00 57.85 56.92 1yx4 n ARG 78 Cb 0.00 -0.99 0.01 0.00 0.45 0.00 0.00 32.46 31.93 1yx4 n ARG 78 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1yx4 n THR 79 N -3.67 -7.28 0.00 5.15 -1.04 -1.19 -3.45 114.28 102.81 1yx4 n THR 79 Ca -0.25 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1yx4 n THR 79 Cb 0.65 -5.23 0.00 0.00 -1.82 0.00 0.00 70.33 63.93 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 -1.69 1.01 3.15 3.41 0.00 -1.26 -4.34 105.19 105.47 1yx4 n GLY 80 Ca -0.12 0.50 0.06 0.00 0.00 0.00 0.00 46.02 46.46 1yx4 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yx4 s LEU 81 N 0.00 -0.00 0.04 0.99 1.43 -1.22 -5.05 118.68 114.87 1yx4 s LEU 81 Ca 0.00 0.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 1yx4 s LEU 81 Cb 0.00 1.00 -0.16 0.00 0.03 0.00 0.00 46.19 47.06 1yx4 s LEU 81 CO 0.00 -0.00 1.26 1.55 0.23 0.00 0.00 176.35 179.39 1yx4 h PRO 82 N 7.77 0.49 -5.84 1.29 0.13 -1.76 -3.48 132.00 130.59 1yx4 h PRO 82 Ca -0.10 -0.35 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 1yx4 h PRO 82 Cb 1.17 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1yx4 h PRO 82 CO -0.19 0.97 -0.59 -3.47 -0.23 0.00 0.00 178.00 174.49 1yx4 n ASP 83 N -4.32 -6.84 0.22 1.44 -0.08 -1.26 -4.86 116.55 100.86 1yx4 n ASP 83 Ca -0.07 -0.09 0.08 0.00 -1.51 0.00 0.00 54.79 53.20 1yx4 n ASP 83 Cb 0.53 -3.94 0.50 0.00 2.34 0.00 0.00 41.12 40.55 1yx4 n ASP 83 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1yx4 h LEU 84 N 1.06 0.00 -2.15 -2.67 3.38 -1.97 -2.73 115.31 110.24 1yx4 h LEU 84 Ca -0.23 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1yx4 h LEU 84 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1yx4 h LEU 84 CO 0.27 0.26 0.24 -1.28 0.09 0.00 0.00 178.44 178.03 1yx4 h SER 85 N 0.00 0.00 -0.98 -0.43 0.87 -2.01 -1.70 113.55 109.31 1yx4 h SER 85 Ca -0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1yx4 h SER 85 Cb 0.61 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.36 1yx4 h SER 85 CO 0.03 0.00 0.63 -0.24 -0.53 0.00 0.00 176.83 176.72 1yx4 n SER 86 N -3.93 6.95 -3.70 6.23 2.88 -1.03 -4.85 113.62 116.17 1yx4 n SER 86 Ca 0.03 -3.40 -0.12 0.00 -1.33 0.00 0.00 58.87 54.05 1yx4 n SER 86 Cb 0.39 -1.08 -0.13 0.00 -0.75 0.00 0.00 64.21 62.64 1yx4 n SER 86 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1yx4 s MET 87 N -2.64 0.20 1.18 -1.46 1.00 -0.64 -5.03 119.30 111.91 1yx4 s MET 87 Ca 0.50 0.65 -0.20 0.00 0.00 0.00 0.00 55.69 56.64 1yx4 s MET 87 Cb 0.38 -0.07 0.31 0.00 0.00 0.00 0.00 34.83 35.45 1yx4 s MET 87 CO -0.12 -0.21 0.71 0.25 0.00 0.00 0.00 175.02 175.64 1yx4 n THR 88 N 4.68 0.00 0.05 2.05 -2.24 -1.26 -4.47 114.28 113.10 1yx4 n THR 88 Ca -0.18 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.62 1yx4 n THR 88 Cb 0.52 -0.81 0.42 0.00 -2.10 0.00 0.00 70.33 68.36 1yx4 n THR 88 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1yx4 h GLU 89 N 0.00 0.42 0.08 -0.78 4.11 -2.00 -2.43 114.58 113.97 1yx4 h GLU 89 Ca -0.32 -0.05 -0.27 0.00 0.07 0.00 0.00 59.36 58.79 1yx4 h GLU 89 Cb 1.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1yx4 h GLU 89 CO 0.19 0.35 -1.34 0.93 0.07 0.00 0.00 179.01 179.21 1yx4 h GLU 90 N 0.42 0.16 0.56 1.06 5.08 -1.98 -3.04 114.58 116.83 1yx4 h GLU 90 Ca 0.11 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1yx4 h GLU 90 Cb 0.09 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1yx4 h GLU 90 CO -0.01 1.04 -0.40 0.93 -1.00 0.00 0.00 179.01 179.56 1yx4 h GLU 91 N 0.04 -0.88 -0.37 2.33 4.39 -1.73 0.55 114.58 118.91 1yx4 h GLU 91 Ca -0.16 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.67 1yx4 h GLU 91 Cb 1.94 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 30.77 1yx4 h GLU 91 CO 0.15 -0.59 0.25 1.96 -1.16 0.00 0.00 179.01 179.63 1yx4 h GLN 92 N -0.92 0.17 -0.45 2.33 4.20 -1.65 0.46 115.11 119.25 1yx4 h GLN 92 Ca -0.07 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 1yx4 h GLN 92 Cb 0.76 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1yx4 h GLN 92 CO 0.03 0.11 -0.16 0.82 -0.67 0.00 0.00 178.83 178.97 1yx4 h ILE 93 N 0.18 1.27 -0.52 2.54 2.04 -1.20 -0.71 117.51 121.10 1yx4 h ILE 93 Ca 0.17 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.78 1yx4 h ILE 93 Cb 0.44 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1yx4 h ILE 93 CO -0.03 0.43 0.34 0.00 0.00 0.00 0.00 178.15 178.90 1yx4 h ALA 94 N 1.06 1.73 0.06 1.87 0.00 0.24 0.25 119.26 124.47 1yx4 h ALA 94 Ca 0.12 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1yx4 h ALA 94 Cb 0.68 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1yx4 h ALA 94 CO 0.05 0.22 -0.45 -0.92 0.00 0.00 0.00 179.25 178.15 1yx4 h TYR 95 N 0.61 0.33 -0.87 0.00 5.03 -1.23 -1.93 116.97 118.90 1yx4 h TYR 95 Ca 0.21 -0.22 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1yx4 h TYR 95 Cb 0.07 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.29 1yx4 h TYR 95 CO -0.00 1.14 0.47 0.00 -1.32 0.00 0.00 178.16 178.45 1yx4 h ALA 96 N 0.11 1.18 0.00 1.82 0.00 -0.78 -1.78 119.26 119.81 1yx4 h ALA 96 Ca -0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1yx4 h ALA 96 Cb 1.31 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1yx4 h ALA 96 CO 0.08 0.65 -0.33 0.52 0.00 0.00 0.00 179.25 180.18 1yx4 h MET 97 N 1.23 0.00 -0.18 0.00 2.86 -0.60 -2.85 114.93 115.38 1yx4 h MET 97 Ca 0.31 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1yx4 h MET 97 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1yx4 h MET 97 CO -0.05 0.33 0.08 1.96 1.06 0.00 0.00 176.91 180.29 1yx4 h GLN 98 N 0.00 0.26 0.00 1.72 4.20 -0.49 -1.97 115.11 118.83 1yx4 h GLN 98 Ca -0.00 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1yx4 h GLN 98 Cb 1.08 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 1yx4 h GLN 98 CO 0.04 0.31 -0.65 0.52 -0.67 0.00 0.00 178.83 178.38 1yx4 h MET 99 N 0.15 0.00 0.00 1.46 2.86 -1.53 -2.83 114.93 115.04 1yx4 h MET 99 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1yx4 h MET 99 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1yx4 h MET 99 CO -0.01 0.65 0.00 0.45 1.06 0.00 0.00 176.91 179.07 1yx4 n SER 100 N -3.75 0.34 -1.96 1.22 2.88 -1.05 -2.94 113.62 108.36 1yx4 n SER 100 Ca -0.01 0.57 -0.20 0.00 -1.33 0.00 0.00 58.87 57.90 1yx4 n SER 100 Cb 0.65 -0.65 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 1yx4 n SER 100 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1yx4 n LEU 101 N -1.87 6.15 -1.57 2.46 7.94 -0.77 -4.14 117.00 125.21 1yx4 n LEU 101 Ca 0.04 -3.27 -0.03 0.00 -1.11 0.00 0.00 56.01 51.64 1yx4 n LEU 101 Cb 0.24 -0.83 0.02 0.00 0.53 0.00 0.00 43.42 43.38 1yx4 n LEU 101 CO 0.19 1.04 0.37 0.00 -1.11 0.00 0.00 177.39 177.88 1yx4 n GLN 102 N -0.58 0.46 -3.31 1.96 1.13 -1.15 -5.08 117.38 110.81 1yx4 n GLN 102 Ca 0.45 -0.71 -0.10 0.00 -1.94 0.00 0.00 57.00 54.69 1yx4 n GLN 102 Cb 1.14 0.38 -0.06 0.00 0.11 0.00 0.00 30.24 31.82 1yx4 n GLN 102 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1yx4 s GLY 103 N -0.69 -0.48 -0.30 1.08 0.00 -1.26 -5.10 107.32 100.58 1yx4 s GLY 103 Ca 0.03 -0.19 -0.09 0.00 0.00 0.00 0.00 44.72 44.47 1yx4 s GLY 103 CO -0.04 3.02 0.88 0.00 0.00 0.00 0.00 173.10 176.95 1yx4 s ALA 104 N 2.09 -2.92 -1.01 3.20 0.00 -1.26 -5.00 121.76 116.85 1yx4 s ALA 104 Ca 0.13 1.66 -0.12 0.00 0.00 0.00 0.00 51.96 53.63 1yx4 s ALA 104 Cb -0.12 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1yx4 s ALA 104 CO -0.19 -1.35 0.77 0.39 0.00 0.00 0.00 175.76 175.39 1yx4 n GLU 105 N 5.41 -1.43 0.00 0.00 1.02 -1.26 -4.96 120.64 119.42 1yx4 n GLU 105 Ca -0.05 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1yx4 n GLU 105 Cb 0.53 -4.47 0.00 0.00 -0.02 0.00 0.00 31.44 27.48 1yx4 n GLU 105 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1yx4 n PHE 106 N -3.38 0.00 -2.59 -0.32 3.72 -1.26 -5.08 117.46 108.55 1yx4 n PHE 106 Ca -0.10 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.27 1yx4 n PHE 106 Cb 0.59 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.15 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 3.42 -0.79 2.74 1.37 0.00 -1.26 -4.94 105.19 105.73 1yx4 n GLY 107 Ca 0.00 0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 1yx4 n GLY 107 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yx4 n GLN 108 N -1.88 4.32 0.01 1.61 6.02 -1.26 -4.64 117.38 121.57 1yx4 n GLN 108 Ca -0.01 -4.41 -0.04 0.00 -0.01 0.00 0.00 57.00 52.52 1yx4 n GLN 108 Cb 0.53 -2.37 -0.11 0.00 1.02 0.00 0.00 30.24 29.31 1yx4 n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yx4 h ALA 109 N 3.62 0.70 -6.19 -1.58 0.00 -2.03 -3.48 119.26 110.29 1yx4 h ALA 109 Ca 0.47 -1.12 -0.44 0.00 0.00 0.00 0.00 54.91 53.82 1yx4 h ALA 109 Cb 0.32 0.36 0.02 0.00 0.00 0.00 0.00 17.79 18.49 1yx4 h ALA 109 CO 1.16 1.22 -0.84 -1.91 0.00 0.00 0.00 179.25 178.89 1yx4 n GLU 110 N -2.98 -4.61 -1.52 0.00 4.07 -1.26 -4.88 120.64 109.46 1yx4 n GLU 110 Ca -0.12 0.57 -0.00 0.00 -0.06 0.00 0.00 57.16 57.55 1yx4 n GLU 110 Cb 0.93 -5.07 -0.00 0.00 -0.06 0.00 0.00 31.44 27.25 1yx4 n GLU 110 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1yx4 n SER 111 N -3.02 0.28 0.00 4.31 3.41 -1.26 -5.33 113.62 112.00 1yx4 n SER 111 Ca -0.27 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1yx4 n SER 111 Cb 0.67 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1yx4 n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88