#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx6 n MET 2 N 0.00 0.72 -0.60 -0.41 2.81 -1.26 -5.03 117.12 113.35 1yx6 n MET 2 Ca 0.00 -2.89 0.02 0.00 -1.81 0.00 0.00 57.70 53.03 1yx6 n MET 2 Cb 0.00 0.07 0.23 0.00 -0.71 0.00 0.00 33.22 32.81 1yx6 n MET 2 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1yx6 n LEU 3 N 0.00 4.00 -0.07 4.03 7.99 -1.26 -4.61 117.00 127.08 1yx6 n LEU 3 Ca 0.06 -3.35 -0.21 0.00 -0.01 0.00 0.00 56.01 52.50 1yx6 n LEU 3 Cb 0.54 -0.59 -0.12 0.00 -0.11 0.00 0.00 43.42 43.14 1yx6 n LEU 3 CO 0.33 0.93 -0.45 1.23 -1.51 0.00 0.00 177.39 177.92 1yx6 h GLY 4 N 1.37 0.07 -6.00 -0.72 0.00 -2.04 -3.47 103.07 92.28 1yx6 h GLY 4 Ca 0.11 -0.19 0.14 0.00 0.00 0.00 0.00 47.33 47.40 1yx6 h GLY 4 CO 0.31 0.16 -0.14 -2.27 0.00 0.00 0.00 176.54 174.60 1yx6 s LEU 5 N -7.77 -0.98 0.00 3.11 0.20 -1.26 -5.07 118.68 106.91 1yx6 s LEU 5 Ca -0.26 0.30 0.00 0.00 0.69 0.00 0.00 54.13 54.86 1yx6 s LEU 5 Cb 0.05 1.70 0.00 0.00 -0.43 0.00 0.00 46.19 47.50 1yx6 s LEU 5 CO 0.65 -0.18 0.00 0.61 -0.29 0.00 0.00 176.35 177.14 1yx6 n GLY 6 N 5.34 -1.30 2.60 7.98 0.00 -1.26 -4.98 105.19 113.57 1yx6 n GLY 6 Ca 0.02 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 1yx6 n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx6 n ALA 7 N -1.44 5.25 -2.08 4.61 0.00 -1.26 -4.62 120.51 120.96 1yx6 n ALA 7 Ca 0.00 -4.35 -0.03 0.00 0.00 0.00 0.00 53.44 49.06 1yx6 n ALA 7 Cb 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1yx6 n ALA 7 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yx6 n SER 8 N -0.45 -0.32 -0.00 0.00 7.64 -1.26 -4.81 113.62 114.42 1yx6 n SER 8 Ca 0.40 -1.73 0.04 0.00 1.01 0.00 0.00 58.87 58.59 1yx6 n SER 8 Cb 0.56 0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.78 1yx6 n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1yx6 n ASP 9 N 0.08 0.80 -1.87 6.43 8.00 -1.26 -4.78 116.55 123.95 1yx6 n ASP 9 Ca -0.12 -0.60 -0.02 0.00 0.71 0.00 0.00 54.79 54.76 1yx6 n ASP 9 Cb 0.72 1.06 0.05 0.00 -0.02 0.00 0.00 41.12 42.93 1yx6 n ASP 9 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1yx6 n PHE 10 N -1.30 -0.98 -1.25 1.24 1.16 -1.26 -5.02 117.46 110.05 1yx6 n PHE 10 Ca 0.01 -0.90 -0.37 0.00 -1.87 0.00 0.00 57.45 54.32 1yx6 n PHE 10 Cb 0.15 0.99 -0.03 0.00 -1.61 0.00 0.00 39.48 38.99 1yx6 n PHE 10 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1yx6 n GLU 11 N -0.74 3.54 0.10 3.97 2.13 -1.26 -3.69 120.64 124.69 1yx6 n GLU 11 Ca -0.14 -2.12 0.00 0.00 0.66 0.00 0.00 57.16 55.56 1yx6 n GLU 11 Cb 0.69 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.64 1yx6 n GLU 11 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1yx6 n PHE 12 N 3.65 -3.14 -2.15 4.31 -0.00 -1.26 -4.97 117.46 113.89 1yx6 n PHE 12 Ca 0.75 0.68 -0.33 0.00 -0.00 0.00 0.00 57.45 58.55 1yx6 n PHE 12 Cb 0.22 1.92 0.02 0.00 -0.00 0.00 0.00 39.48 41.64 1yx6 n PHE 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yx6 n GLY 13 N -1.26 5.79 0.01 7.13 0.00 -1.25 -4.54 105.19 111.07 1yx6 n GLY 13 Ca 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.41 1yx6 n GLY 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1yx6 n VAL 14 N -0.53 0.08 -4.00 1.61 3.14 -1.24 -5.05 118.33 112.34 1yx6 n VAL 14 Ca 0.47 -0.09 -0.10 0.00 -2.96 0.00 0.00 64.34 61.66 1yx6 n VAL 14 Cb 0.47 -0.20 -0.11 0.00 -1.06 0.00 0.00 33.84 32.94 1yx6 n VAL 14 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1yx6 s ASP 15 N -2.78 0.38 0.29 6.55 1.01 -1.26 -5.02 116.67 115.83 1yx6 s ASP 15 Ca -0.01 -0.45 0.25 0.00 0.71 0.00 0.00 52.55 53.05 1yx6 s ASP 15 Cb 0.01 0.07 0.99 0.00 1.01 0.00 0.00 42.92 45.00 1yx6 s ASP 15 CO 0.11 -0.24 1.75 1.55 0.21 0.00 0.00 175.17 178.56 1yx6 h PRO 16 N 4.79 0.00 0.00 8.23 0.13 -1.87 -2.85 132.00 140.42 1yx6 h PRO 16 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1yx6 h PRO 16 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1yx6 h PRO 16 CO 0.42 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.06 1yx6 n SER 17 N -2.36 0.00 -0.43 1.44 3.41 -1.26 -2.60 113.62 111.82 1yx6 n SER 17 Ca 0.03 0.13 0.08 0.00 -0.26 0.00 0.00 58.87 58.85 1yx6 n SER 17 Cb 0.28 -0.34 0.17 0.00 -0.26 0.00 0.00 64.21 64.05 1yx6 n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yx6 n ALA 18 N -1.34 2.49 -3.41 7.33 0.00 -1.08 -4.96 120.51 119.55 1yx6 n ALA 18 Ca 0.08 -2.13 0.01 0.00 0.00 0.00 0.00 53.44 51.41 1yx6 n ALA 18 Cb 0.17 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 1yx6 n ALA 18 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yx6 s ASP 19 N -2.07 -0.59 0.25 0.00 2.15 -1.07 -4.98 116.67 110.36 1yx6 s ASP 19 Ca 0.31 0.81 0.23 0.00 0.43 0.00 0.00 52.55 54.33 1yx6 s ASP 19 Cb 0.25 1.68 0.97 0.00 -0.30 0.00 0.00 42.92 45.52 1yx6 s ASP 19 CO 0.06 -0.11 1.71 -0.81 -0.17 0.00 0.00 175.17 175.84 1yx6 n PRO 20 N 4.99 0.19 0.08 4.34 -0.04 -1.26 -1.67 135.00 141.64 1yx6 n PRO 20 Ca -0.09 0.42 -0.09 0.00 -0.04 0.00 0.00 63.50 63.70 1yx6 n PRO 20 Cb 0.52 -1.86 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 1yx6 n PRO 20 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1yx6 h GLU 21 N 0.00 0.11 0.00 0.54 4.81 -1.95 -2.49 114.58 115.60 1yx6 h GLU 21 Ca 0.00 -0.15 -0.21 0.00 -0.13 0.00 0.00 59.36 58.87 1yx6 h GLU 21 Cb 0.36 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1yx6 h GLU 21 CO 0.00 1.00 -1.55 1.28 -0.73 0.00 0.00 179.01 179.02 1yx6 n LEU 22 N -3.50 0.81 -0.04 1.64 4.32 -1.01 -2.60 117.00 116.62 1yx6 n LEU 22 Ca -0.03 0.37 -0.16 0.00 -0.02 0.00 0.00 56.01 56.17 1yx6 n LEU 22 Cb 0.90 0.12 -0.07 0.00 -1.62 0.00 0.00 43.42 42.74 1yx6 n LEU 22 CO 0.48 0.22 0.34 0.00 -1.22 0.00 0.00 177.39 177.22 1yx6 h ALA 23 N 1.30 0.30 0.04 -1.18 0.00 -1.37 -2.44 119.26 115.91 1yx6 h ALA 23 Ca -0.21 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 53.93 1yx6 h ALA 23 Cb 1.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1yx6 h ALA 23 CO 0.05 0.58 -1.01 1.25 0.00 0.00 0.00 179.25 180.12 1yx6 h LEU 24 N 0.43 0.24 -1.16 0.00 5.85 -1.59 -2.67 115.31 116.41 1yx6 h LEU 24 Ca -0.03 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 1yx6 h LEU 24 Cb 1.26 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1yx6 h LEU 24 CO 0.13 1.11 -0.13 0.00 -0.34 0.00 0.00 178.44 179.21 1yx6 h ALA 25 N 0.87 1.30 0.00 1.25 0.00 -1.51 -0.42 119.26 120.75 1yx6 h ALA 25 Ca -0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1yx6 h ALA 25 Cb 1.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1yx6 h ALA 25 CO 0.15 0.47 -0.37 1.25 0.00 0.00 0.00 179.25 180.75 1yx6 h LEU 26 N 0.40 0.00 0.00 0.00 7.12 -1.43 -2.84 115.31 118.56 1yx6 h LEU 26 Ca 0.08 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.93 1yx6 h LEU 26 Cb 0.48 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 1yx6 h LEU 26 CO 0.03 0.17 -1.02 -0.09 -0.13 0.00 0.00 178.44 177.40 1yx6 h ARG 27 N 0.00 0.00 0.03 1.25 1.12 -1.06 -2.75 114.38 112.97 1yx6 h ARG 27 Ca -0.01 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.60 1yx6 h ARG 27 Cb 1.14 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.07 1yx6 h ARG 27 CO 0.02 0.45 -1.33 0.28 -3.11 0.00 0.00 179.97 176.28 1yx6 h VAL 28 N 0.00 1.34 0.19 0.20 2.07 -1.13 -2.83 116.25 116.09 1yx6 h VAL 28 Ca -0.09 -3.07 -0.31 0.00 0.82 0.00 0.00 66.70 64.05 1yx6 h VAL 28 Cb 1.54 2.71 0.02 0.00 -1.52 0.00 0.00 31.29 34.04 1yx6 h VAL 28 CO 0.06 0.80 -1.37 0.28 0.02 0.00 0.00 177.57 177.37 1yx6 h SER 29 N 0.02 0.67 0.26 0.57 0.02 -1.60 -2.66 113.55 110.83 1yx6 h SER 29 Ca -0.14 -0.71 -0.16 0.00 -0.84 0.00 0.00 61.79 59.93 1yx6 h SER 29 Cb 1.90 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 64.21 1yx6 h SER 29 CO 0.12 1.55 -0.65 -0.03 -1.14 0.00 0.00 176.83 176.69 1yx6 h MET 30 N 0.12 0.36 -0.03 3.45 1.85 -1.61 -1.79 114.93 117.28 1yx6 h MET 30 Ca -0.20 -0.26 -0.18 0.00 -0.61 0.00 0.00 59.70 58.45 1yx6 h MET 30 Cb 2.07 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 34.14 1yx6 h MET 30 CO 0.24 0.88 -0.77 1.49 -0.40 0.00 0.00 176.91 178.36 1yx6 h GLU 31 N 0.26 0.22 -0.01 0.39 4.81 -1.58 -2.56 114.58 116.11 1yx6 h GLU 31 Ca -0.01 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 58.87 1yx6 h GLU 31 Cb 1.19 0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.62 1yx6 h GLU 31 CO 0.11 0.89 -0.56 0.93 -0.73 0.00 0.00 179.01 179.65 1yx6 h GLU 32 N 0.14 0.40 -0.50 1.92 5.08 -1.42 -2.83 114.58 117.37 1yx6 h GLU 32 Ca -0.03 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 1yx6 h GLU 32 Cb 1.34 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1yx6 h GLU 32 CO 0.12 1.08 0.14 0.37 -1.00 0.00 0.00 179.01 179.72 1yx6 h GLN 33 N -0.11 0.75 -0.41 2.33 -0.00 -1.38 -2.69 115.11 113.60 1yx6 h GLN 33 Ca -0.07 -0.14 -0.07 0.00 -0.00 0.00 0.00 58.65 58.38 1yx6 h GLN 33 Cb 1.26 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.61 1yx6 h GLN 33 CO 0.11 0.67 -0.03 -0.09 0.00 0.00 0.00 178.83 179.49 1yx6 h ARG 34 N 0.73 0.74 -0.54 1.69 9.65 -1.49 -0.76 114.38 124.40 1yx6 h ARG 34 Ca 0.17 -0.25 0.05 0.00 -1.10 0.00 0.00 59.98 58.85 1yx6 h ARG 34 Cb 0.24 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 1yx6 h ARG 34 CO -0.01 0.84 0.36 1.96 2.80 0.00 0.00 179.97 185.92 1yx6 h GLN 35 N 0.56 0.52 0.16 0.20 7.50 -1.22 0.51 115.11 123.34 1yx6 h GLN 35 Ca 0.11 -0.03 -0.30 0.00 0.50 0.00 0.00 58.65 58.94 1yx6 h GLN 35 Cb 0.52 -0.12 0.02 0.00 0.05 0.00 0.00 27.48 27.95 1yx6 h GLN 35 CO 0.03 0.35 -1.30 0.00 -1.50 0.00 0.00 178.83 176.41 1yx6 h ARG 36 N 0.54 0.44 0.00 1.46 2.47 -1.23 -1.39 114.38 116.67 1yx6 h ARG 36 Ca 0.23 -0.69 -0.12 0.00 -1.26 0.00 0.00 59.98 58.15 1yx6 h ARG 36 Cb 0.22 0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 1yx6 h ARG 36 CO -0.06 1.31 -0.55 0.37 0.56 0.00 0.00 179.97 181.60 1yx6 h GLN 37 N 0.15 0.00 0.00 0.04 -0.00 -0.36 -2.45 115.11 112.49 1yx6 h GLN 37 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.46 1yx6 h GLN 37 Cb 1.99 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 29.47 1yx6 h GLN 37 CO 0.23 0.55 -0.22 1.49 0.00 0.00 0.00 178.83 180.88 1yx6 h GLU 38 N 0.00 0.00 -0.90 1.69 4.81 -0.06 0.38 114.58 120.51 1yx6 h GLU 38 Ca -0.01 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.47 1yx6 h GLU 38 Cb 1.15 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 1yx6 h GLU 38 CO 0.07 0.10 0.63 0.93 -0.73 0.00 0.00 179.01 180.01 1yx6 h GLU 39 N -1.00 0.14 0.11 1.92 5.08 -1.37 0.40 114.58 119.85 1yx6 h GLU 39 Ca -0.01 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1yx6 h GLU 39 Cb 0.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1yx6 h GLU 39 CO -0.01 0.09 -1.53 1.49 -1.00 0.00 0.00 179.01 178.05 1yx6 h GLU 40 N 0.14 0.23 0.07 2.33 4.57 -1.55 -2.39 114.58 117.99 1yx6 h GLU 40 Ca 0.44 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1yx6 h GLU 40 Cb 1.52 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.26 1yx6 h GLU 40 CO -0.07 1.09 -0.04 0.00 -1.18 0.00 0.00 179.01 178.81 1yx6 h ALA 41 N 0.52 -0.10 -0.04 2.92 0.00 0.19 -2.83 119.26 119.91 1yx6 h ALA 41 Ca -0.24 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1yx6 h ALA 41 Cb 2.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 1yx6 h ALA 41 CO 0.16 -0.44 -0.47 0.07 0.00 0.00 0.00 179.25 178.56 1yx6 h ARG 42 N -0.32 0.09 -0.95 0.00 0.11 -0.66 -2.71 114.38 109.94 1yx6 h ARG 42 Ca -0.01 -0.05 0.12 0.00 0.10 0.00 0.00 59.98 60.15 1yx6 h ARG 42 Cb 0.28 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.29 1yx6 h ARG 42 CO 0.02 0.55 0.60 0.00 0.10 0.00 0.00 179.97 181.24 1yx6 h ARG 43 N 0.08 0.85 0.00 0.08 3.08 -1.22 0.17 114.38 117.41 1yx6 h ARG 43 Ca 0.00 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 1yx6 h ARG 43 Cb 0.87 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1yx6 h ARG 43 CO 0.07 0.56 -0.76 0.00 -1.07 0.00 0.00 179.97 178.76 1yx6 h ALA 44 N 1.56 0.55 0.00 0.04 0.00 -1.27 -2.84 119.26 117.31 1yx6 h ALA 44 Ca 0.47 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1yx6 h ALA 44 Cb 0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1yx6 h ALA 44 CO -0.23 0.95 -0.21 0.00 0.00 0.00 0.00 179.25 179.76 1yx6 h ALA 45 N 1.24 1.41 0.15 0.00 0.00 -0.40 -2.04 119.26 119.61 1yx6 h ALA 45 Ca -0.01 -0.19 -0.33 0.00 0.00 0.00 0.00 54.91 54.38 1yx6 h ALA 45 Cb 1.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1yx6 h ALA 45 CO 0.10 0.27 -1.68 0.00 0.00 0.00 0.00 179.25 177.93 1yx6 h ALA 46 N 1.79 0.21 0.00 0.00 0.00 -1.20 -2.70 119.26 117.36 1yx6 h ALA 46 Ca -0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 54.91 53.71 1yx6 h ALA 46 Cb 0.44 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1yx6 h ALA 46 CO 0.03 1.00 -0.13 0.00 0.00 0.00 0.00 179.25 180.15 1yx6 h ALA 47 N 0.04 1.76 0.19 0.00 0.00 -1.37 -2.35 119.26 117.54 1yx6 h ALA 47 Ca -0.35 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 1yx6 h ALA 47 Cb 1.97 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.75 1yx6 h ALA 47 CO 0.12 0.17 -1.73 0.77 0.00 0.00 0.00 179.25 178.58 1yx6 h SER 48 N 0.00 0.63 0.16 0.00 0.02 -1.49 -3.31 113.55 109.56 1yx6 h SER 48 Ca -0.00 -0.94 -0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1yx6 h SER 48 Cb 0.24 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1yx6 h SER 48 CO 0.02 1.78 -0.02 0.00 -1.14 0.00 0.00 176.83 177.47 1yx6 h ALA 49 N 0.10 1.17 0.00 3.77 0.00 -1.23 -1.04 119.26 122.03 1yx6 h ALA 49 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1yx6 h ALA 49 Cb 2.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1yx6 h ALA 49 CO 0.18 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1yx6 n ALA 50 N -2.17 1.58 -0.04 0.00 0.00 -0.91 -2.38 120.51 116.60 1yx6 n ALA 50 Ca -0.02 0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1yx6 n ALA 50 Cb 0.12 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 1yx6 n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1yx6 h GLU 51 N 0.00 -0.10 0.00 0.00 5.08 -1.38 -3.10 114.58 115.08 1yx6 h GLU 51 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1yx6 h GLU 51 Cb 0.27 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1yx6 h GLU 51 CO 0.00 -0.07 -0.15 0.00 -1.00 0.00 0.00 179.01 177.79 1yx6 n ALA 52 N -2.56 2.64 -0.00 3.43 0.00 -1.21 -4.65 120.51 118.17 1yx6 n ALA 52 Ca -0.02 -2.79 -0.01 0.00 0.00 0.00 0.00 53.44 50.63 1yx6 n ALA 52 Cb 0.19 -0.38 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 1yx6 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx6 n GLY 53 N -1.31 -0.18 2.72 0.00 0.00 -1.00 -4.80 105.19 100.61 1yx6 n GLY 53 Ca 0.16 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1yx6 n GLY 53 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1yx6 n ILE 54 N -2.89 5.26 0.00 -0.61 0.13 -1.21 -4.50 119.36 115.54 1yx6 n ILE 54 Ca -0.02 -5.63 0.00 0.00 -1.10 0.00 0.00 62.75 56.01 1yx6 n ILE 54 Cb 0.06 -1.47 0.00 0.00 -0.84 0.00 0.00 39.64 37.39 1yx6 n ILE 54 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1yx6 n ALA 55 N -0.17 1.99 -3.40 1.51 0.00 -1.26 -4.96 120.51 114.22 1yx6 n ALA 55 Ca 0.46 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.58 1yx6 n ALA 55 Cb 0.28 0.40 -0.17 0.00 0.00 0.00 0.00 19.45 19.96 1yx6 n ALA 55 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1yx6 s THR 56 N -1.98 2.06 -0.54 0.00 -4.23 -1.26 -5.08 115.64 104.61 1yx6 s THR 56 Ca 0.00 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1yx6 s THR 56 Cb 0.00 -1.79 0.14 0.00 1.34 0.00 0.00 72.50 72.18 1yx6 s THR 56 CO 0.00 0.56 0.30 -0.89 -0.54 0.00 0.00 174.62 174.05 1yx6 s THR 57 N 0.53 2.91 -0.23 3.99 2.01 -1.26 -4.82 115.64 118.77 1yx6 s THR 57 Ca -0.14 -3.16 0.09 0.00 0.31 0.00 0.00 61.69 58.79 1yx6 s THR 57 Cb -0.17 -2.98 0.27 0.00 0.01 0.00 0.00 72.50 69.63 1yx6 s THR 57 CO 0.05 -0.81 1.20 0.61 -0.69 0.00 0.00 174.62 174.98 1yx6 n GLY 58 N 3.29 1.02 2.79 4.40 0.00 -1.26 -5.02 105.19 110.41 1yx6 n GLY 58 Ca 0.06 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1yx6 n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yx6 n THR 59 N -1.02 4.27 -3.64 2.61 -1.04 -1.26 -4.92 114.28 109.27 1yx6 n THR 59 Ca -0.12 -5.64 -0.36 0.00 -2.04 0.00 0.00 64.05 55.89 1yx6 n THR 59 Cb 0.75 -1.44 -0.07 0.00 -1.82 0.00 0.00 70.33 67.75 1yx6 n THR 59 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1yx6 s GLU 60 N -3.86 3.20 -0.07 -2.82 2.02 -1.26 -4.78 118.70 111.13 1yx6 s GLU 60 Ca 0.45 -3.18 -0.00 0.00 0.02 0.00 0.00 54.97 52.26 1yx6 s GLU 60 Cb 0.26 -3.94 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 1yx6 s GLU 60 CO -0.15 -1.25 -0.07 -0.25 0.02 0.00 0.00 175.26 173.55 1yx6 n ASP 61 N 2.49 3.01 -3.82 -0.19 9.92 -1.26 -4.90 116.55 121.81 1yx6 n ASP 61 Ca 0.20 -0.02 -0.29 0.00 -0.53 0.00 0.00 54.79 54.15 1yx6 n ASP 61 Cb 0.37 -0.13 -0.13 0.00 -0.64 0.00 0.00 41.12 40.59 1yx6 n ASP 61 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1yx6 s SER 62 N -4.84 4.00 0.53 -2.24 0.01 -1.26 -4.94 113.70 104.95 1yx6 s SER 62 Ca -0.10 -3.06 0.19 0.00 1.31 0.00 0.00 55.95 54.30 1yx6 s SER 62 Cb 0.03 -1.34 1.33 0.00 0.21 0.00 0.00 66.02 66.25 1yx6 s SER 62 CO 0.16 -0.21 2.11 0.44 0.41 0.00 0.00 173.24 176.15 1yx6 h ASP 63 N 6.29 0.00 0.86 2.44 5.19 -1.95 0.41 116.42 129.65 1yx6 h ASP 63 Ca 0.02 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.27 1yx6 h ASP 63 Cb 0.88 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 1yx6 h ASP 63 CO 0.60 0.00 -0.75 0.44 -3.12 0.00 0.00 179.24 176.41 1yx6 h ASP 64 N 0.00 0.00 -0.72 6.45 5.19 -1.99 -2.89 116.42 122.47 1yx6 h ASP 64 Ca 0.08 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1yx6 h ASP 64 Cb 0.31 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 1yx6 h ASP 64 CO -0.00 0.75 0.34 0.00 -3.12 0.00 0.00 179.24 177.20 1yx6 h ALA 65 N 1.25 0.93 -0.01 3.45 0.00 -1.32 0.46 119.26 124.02 1yx6 h ALA 65 Ca -0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1yx6 h ALA 65 Cb 1.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1yx6 h ALA 65 CO 0.10 0.50 -0.31 1.25 0.00 0.00 0.00 179.25 180.79 1yx6 h LEU 66 N 1.01 0.01 -0.06 0.00 6.46 -1.43 0.58 115.31 121.88 1yx6 h LEU 66 Ca 0.25 -0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.75 1yx6 h LEU 66 Cb 0.14 -0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1yx6 h LEU 66 CO -0.03 0.32 -1.01 0.25 -0.62 0.00 0.00 178.44 177.35 1yx6 h LEU 67 N 0.01 0.80 0.00 2.25 5.85 -0.94 -2.83 115.31 120.44 1yx6 h LEU 67 Ca -0.00 -0.64 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 1yx6 h LEU 67 Cb 0.55 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1yx6 h LEU 67 CO 0.04 1.44 -0.03 0.11 -0.34 0.00 0.00 178.44 179.66 1yx6 h LYS 68 N 0.35 0.00 -0.99 1.25 6.56 0.25 -2.89 116.57 121.10 1yx6 h LYS 68 Ca -0.11 0.00 0.20 0.00 -1.06 0.00 0.00 60.65 59.67 1yx6 h LYS 68 Cb 1.66 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 33.22 1yx6 h LYS 68 CO 0.19 0.53 0.62 1.98 -2.06 0.00 0.00 179.45 180.71 1yx6 h MET 69 N -1.00 0.65 -0.30 3.15 4.05 0.01 1.16 114.93 122.65 1yx6 h MET 69 Ca -0.01 -0.04 -0.14 0.00 -0.28 0.00 0.00 59.70 59.24 1yx6 h MET 69 Cb 0.54 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1yx6 h MET 69 CO -0.00 0.43 -0.35 1.15 0.23 0.00 0.00 176.91 178.36 1yx6 h THR 70 N 0.66 1.29 0.00 -0.77 2.02 -1.61 -2.85 112.91 111.66 1yx6 h THR 70 Ca 0.56 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1yx6 h THR 70 Cb 1.00 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1yx6 h THR 70 CO -0.33 0.50 -0.28 0.00 0.37 0.00 0.00 175.52 175.78 1yx6 n ILE 71 N -4.19 0.27 -0.02 3.11 0.13 -0.29 -2.60 119.36 115.77 1yx6 n ILE 71 Ca -0.04 -0.16 -0.16 0.00 -1.10 0.00 0.00 62.75 61.30 1yx6 n ILE 71 Cb 0.52 -0.27 -0.12 0.00 -0.84 0.00 0.00 39.64 38.92 1yx6 n ILE 71 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1yx6 h SER 72 N 0.00 0.24 1.38 9.51 4.64 0.14 -0.46 113.55 129.00 1yx6 h SER 72 Ca 0.00 -0.83 -0.11 0.00 -0.47 0.00 0.00 61.79 60.39 1yx6 h SER 72 Cb 0.64 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1yx6 h SER 72 CO 0.00 1.04 -0.50 1.56 -0.87 0.00 0.00 176.83 178.06 1yx6 h GLN 73 N -0.53 0.00 0.04 4.77 4.20 -1.62 -2.84 115.11 119.13 1yx6 h GLN 73 Ca -0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1yx6 h GLN 73 Cb 1.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 1yx6 h GLN 73 CO 0.06 0.50 -0.42 0.37 -0.67 0.00 0.00 178.83 178.67 1yx6 h GLN 74 N 0.00 0.08 -0.42 1.46 4.15 -1.58 -3.36 115.11 115.44 1yx6 h GLN 74 Ca -0.01 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1yx6 h GLN 74 Cb 1.33 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 1yx6 h GLN 74 CO 0.07 1.06 0.24 1.49 -1.93 0.00 0.00 178.83 179.76 1yx6 h GLU 75 N -0.83 0.59 -5.65 1.69 4.57 -1.18 -3.38 114.58 110.39 1yx6 h GLU 75 Ca -0.09 -0.06 -0.63 0.00 -1.18 0.00 0.00 59.36 57.39 1yx6 h GLU 75 Cb 1.22 -0.12 -0.14 0.00 -0.16 0.00 0.00 28.75 29.56 1yx6 h GLU 75 CO 0.01 0.45 0.41 0.12 -1.18 0.00 0.00 179.01 178.82 1yx6 s PHE 76 N -5.92 2.89 0.42 0.92 2.19 -1.07 -4.66 117.98 112.75 1yx6 s PHE 76 Ca -0.13 -0.09 0.00 0.00 0.33 0.00 0.00 56.93 57.04 1yx6 s PHE 76 Cb 0.11 -3.87 0.00 0.00 -1.31 0.00 0.00 43.02 37.95 1yx6 s PHE 76 CO 0.74 -1.20 0.00 0.41 1.83 0.00 0.00 175.22 176.99 1yx6 n GLY 77 N 5.10 -1.33 3.58 13.12 0.00 -1.26 -4.74 105.19 119.67 1yx6 n GLY 77 Ca 0.00 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1yx6 n GLY 77 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yx6 s ARG 78 N -1.96 3.88 -0.35 1.61 3.52 -1.26 -4.92 118.95 119.47 1yx6 s ARG 78 Ca 0.00 -0.21 0.14 0.00 -0.13 0.00 0.00 55.73 55.53 1yx6 s ARG 78 Cb 0.00 -3.69 0.43 0.00 -1.56 0.00 0.00 34.95 30.12 1yx6 s ARG 78 CO 0.00 -0.29 1.30 2.41 -0.81 0.00 0.00 175.30 177.90 1yx6 n THR 79 N 5.12 0.37 -2.08 4.11 -1.04 -1.26 -5.00 114.28 114.50 1yx6 n THR 79 Ca -0.11 -1.86 -0.40 0.00 -2.04 0.00 0.00 64.05 59.64 1yx6 n THR 79 Cb 0.51 0.98 -0.00 0.00 -1.82 0.00 0.00 70.33 70.00 1yx6 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yx6 n GLY 80 N -0.76 5.26 3.61 3.41 0.00 -1.26 -4.86 105.19 110.59 1yx6 n GLY 80 Ca -0.03 -2.11 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 1yx6 n GLY 80 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1yx6 s LEU 81 N -2.17 -0.25 -0.86 0.99 0.05 -1.26 -5.03 118.68 110.14 1yx6 s LEU 81 Ca 0.52 0.34 -0.12 0.00 0.05 0.00 0.00 54.13 54.91 1yx6 s LEU 81 Cb 0.18 1.57 -0.09 0.00 -2.05 0.00 0.00 46.19 45.79 1yx6 s LEU 81 CO -0.09 -0.19 2.03 -0.81 -0.55 0.00 0.00 176.35 176.74 1yx6 n PRO 82 N 0.98 1.85 -1.53 1.48 -0.04 -1.26 -4.87 135.00 131.61 1yx6 n PRO 82 Ca -0.08 -1.63 -0.37 0.00 -0.04 0.00 0.00 63.50 61.38 1yx6 n PRO 82 Cb 0.58 -2.65 -0.08 0.00 -0.04 0.00 0.00 33.50 31.31 1yx6 n PRO 82 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1yx6 n ASP 83 N 5.56 1.56 0.08 3.54 -0.08 -1.26 -4.76 116.55 121.19 1yx6 n ASP 83 Ca 0.46 -0.31 -0.13 0.00 -1.51 0.00 0.00 54.79 53.30 1yx6 n ASP 83 Cb 0.24 -1.35 -0.06 0.00 2.34 0.00 0.00 41.12 42.30 1yx6 n ASP 83 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1yx6 h LEU 84 N 17.03 0.46 -2.15 -2.67 4.07 -1.96 -1.87 115.31 128.22 1yx6 h LEU 84 Ca -0.16 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.40 1yx6 h LEU 84 Cb 1.27 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1yx6 h LEU 84 CO 1.24 1.21 0.00 0.28 -1.08 0.00 0.00 178.44 180.09 1yx6 h SER 85 N 0.17 0.00 0.00 -0.43 0.02 -2.02 -2.33 113.55 108.96 1yx6 h SER 85 Ca -0.08 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 1yx6 h SER 85 Cb 1.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 1yx6 h SER 85 CO 0.17 0.00 -1.67 -1.20 -1.14 0.00 0.00 176.83 172.98 1yx6 n SER 86 N -2.76 1.93 -3.32 3.07 7.64 -1.17 -5.00 113.62 114.00 1yx6 n SER 86 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1yx6 n SER 86 Cb 0.10 1.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 1yx6 n SER 86 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1yx6 n MET 87 N -2.09 -0.36 -3.12 1.43 2.00 -0.71 -5.08 117.12 109.20 1yx6 n MET 87 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.53 1yx6 n MET 87 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.67 1yx6 n MET 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1yx6 n THR 88 N -1.85 0.00 0.14 2.03 -2.24 -1.26 -4.95 114.28 106.15 1yx6 n THR 88 Ca 0.00 -1.22 0.02 0.00 -2.27 0.00 0.00 64.05 60.58 1yx6 n THR 88 Cb 0.00 0.63 0.36 0.00 -2.10 0.00 0.00 70.33 69.22 1yx6 n THR 88 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1yx6 h GLU 89 N 0.00 0.15 0.17 -0.78 4.11 -1.97 0.32 114.58 116.58 1yx6 h GLU 89 Ca -0.13 -0.05 -0.29 0.00 0.07 0.00 0.00 59.36 58.96 1yx6 h GLU 89 Cb 0.63 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1yx6 h GLU 89 CO 0.18 0.41 -1.40 0.93 0.07 0.00 0.00 179.01 179.19 1yx6 h GLU 90 N 0.14 0.37 -0.49 1.06 5.08 -1.97 -0.42 114.58 118.35 1yx6 h GLU 90 Ca 0.02 -0.63 -0.03 0.00 -1.00 0.00 0.00 59.36 57.72 1yx6 h GLU 90 Cb 0.54 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1yx6 h GLU 90 CO 0.04 1.30 0.19 1.49 -1.00 0.00 0.00 179.01 181.03 1yx6 h GLU 91 N -0.10 0.73 -0.23 2.33 4.81 -1.90 0.32 114.58 120.55 1yx6 h GLU 91 Ca -0.27 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 58.73 1yx6 h GLU 91 Cb 1.93 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.18 1yx6 h GLU 91 CO 0.16 0.66 -0.26 1.96 -0.73 0.00 0.00 179.01 180.80 1yx6 h GLN 92 N 0.65 0.43 -0.83 1.92 4.20 -0.45 -2.10 115.11 118.93 1yx6 h GLN 92 Ca 0.16 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1yx6 h GLN 92 Cb 0.20 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1yx6 h GLN 92 CO -0.01 0.66 0.38 0.82 -0.67 0.00 0.00 178.83 180.01 1yx6 h ILE 93 N 0.38 1.26 -0.42 2.54 2.04 0.11 -0.48 117.51 122.95 1yx6 h ILE 93 Ca 0.06 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.24 1yx6 h ILE 93 Cb 0.66 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1yx6 h ILE 93 CO 0.05 0.32 0.28 0.00 0.00 0.00 0.00 178.15 178.80 1yx6 h ALA 94 N 1.22 2.09 0.04 1.87 0.00 0.29 0.36 119.26 125.14 1yx6 h ALA 94 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1yx6 h ALA 94 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1yx6 h ALA 94 CO -0.03 -0.19 -0.02 -0.92 0.00 0.00 0.00 179.25 178.09 1yx6 h TYR 95 N 0.23 -0.05 -0.14 0.00 3.20 -0.90 0.16 116.97 119.47 1yx6 h TYR 95 Ca 0.19 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1yx6 h TYR 95 Cb 0.45 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1yx6 h TYR 95 CO -0.00 0.46 -0.20 0.00 -1.64 0.00 0.00 178.16 176.78 1yx6 h ALA 96 N 0.32 1.41 0.00 1.82 0.00 -0.62 -1.80 119.26 120.41 1yx6 h ALA 96 Ca -0.01 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1yx6 h ALA 96 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1yx6 h ALA 96 CO 0.01 0.41 -0.52 0.52 0.00 0.00 0.00 179.25 179.67 1yx6 h MET 97 N 0.22 0.00 0.00 0.00 2.86 -0.28 -2.65 114.93 115.07 1yx6 h MET 97 Ca 0.04 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.55 1yx6 h MET 97 Cb 0.48 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1yx6 h MET 97 CO 0.03 0.38 -0.66 1.96 1.06 0.00 0.00 176.91 179.68 1yx6 h GLN 98 N 0.00 0.00 0.00 1.72 1.08 -0.13 -2.84 115.11 114.94 1yx6 h GLN 98 Ca -0.02 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1yx6 h GLN 98 Cb 1.32 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.74 1yx6 h GLN 98 CO 0.05 0.61 -1.29 -1.33 -0.95 0.00 0.00 178.83 175.93 1yx6 n MET 99 N -3.24 0.62 0.09 1.46 2.81 -0.73 -4.05 117.12 114.08 1yx6 n MET 99 Ca 0.01 0.10 0.05 0.00 -1.81 0.00 0.00 57.70 56.05 1yx6 n MET 99 Cb 0.79 -1.77 -0.02 0.00 -0.71 0.00 0.00 33.22 31.51 1yx6 n MET 99 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1yx6 h SER 100 N 0.00 0.00 -0.05 7.83 4.64 -1.53 -2.02 113.55 122.42 1yx6 h SER 100 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1yx6 h SER 100 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1yx6 h SER 100 CO 0.01 0.36 0.00 -0.11 -0.87 0.00 0.00 176.83 176.22 1yx6 n LEU 101 N -2.92 0.61 -0.86 5.97 7.94 -1.07 -4.00 117.00 122.67 1yx6 n LEU 101 Ca -0.03 -0.25 -0.05 0.00 -1.11 0.00 0.00 56.01 54.57 1yx6 n LEU 101 Cb 0.71 -0.03 -0.05 0.00 0.53 0.00 0.00 43.42 44.58 1yx6 n LEU 101 CO 0.41 0.12 0.32 0.00 -1.11 0.00 0.00 177.39 177.13 1yx6 n GLN 102 N -0.41 0.00 -0.06 1.96 10.64 -1.24 -3.99 117.38 124.28 1yx6 n GLN 102 Ca 0.16 -0.74 -0.18 0.00 -1.83 0.00 0.00 57.00 54.42 1yx6 n GLN 102 Cb 0.17 0.34 -0.13 0.00 -0.86 0.00 0.00 30.24 29.77 1yx6 n GLN 102 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1yx6 h GLY 103 N 0.02 0.06 -6.11 2.61 0.00 -1.49 -3.41 103.07 94.74 1yx6 h GLY 103 Ca -0.40 -0.16 -0.59 0.00 0.00 0.00 0.00 47.33 46.18 1yx6 h GLY 103 CO -0.20 0.14 -0.71 0.00 0.00 0.00 0.00 176.54 175.76 1yx6 n ALA 104 N -2.90 3.72 -2.96 3.60 0.00 -1.26 -4.97 120.51 115.74 1yx6 n ALA 104 Ca -0.19 -4.46 -0.07 0.00 0.00 0.00 0.00 53.44 48.71 1yx6 n ALA 104 Cb 0.62 -0.87 0.01 0.00 0.00 0.00 0.00 19.45 19.20 1yx6 n ALA 104 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1yx6 n GLU 105 N 0.91 -2.32 -2.72 0.00 2.13 -1.26 -4.98 120.64 112.40 1yx6 n GLU 105 Ca 0.28 2.01 -0.04 0.00 0.66 0.00 0.00 57.16 60.07 1yx6 n GLU 105 Cb 0.44 -4.04 0.08 0.00 0.27 0.00 0.00 31.44 28.19 1yx6 n GLU 105 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1yx6 n PHE 106 N 0.48 -0.34 -1.35 4.31 -0.00 -1.26 -4.93 117.46 114.37 1yx6 n PHE 106 Ca 0.02 -2.16 -0.34 0.00 -0.00 0.00 0.00 57.45 54.96 1yx6 n PHE 106 Cb 0.31 0.54 0.08 0.00 -0.00 0.00 0.00 39.48 40.42 1yx6 n PHE 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yx6 n GLY 107 N -0.69 5.87 2.82 7.13 0.00 -1.26 -4.47 105.19 114.59 1yx6 n GLY 107 Ca -0.01 -2.30 -0.30 0.00 0.00 0.00 0.00 46.02 43.42 1yx6 n GLY 107 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1yx6 s GLN 108 N -3.81 1.01 -0.00 1.61 0.74 -1.26 -4.95 119.66 112.99 1yx6 s GLN 108 Ca 0.64 -1.16 0.22 0.00 0.05 0.00 0.00 55.36 55.12 1yx6 s GLN 108 Cb 0.51 -2.34 -0.26 0.00 1.10 0.00 0.00 33.01 32.01 1yx6 s GLN 108 CO -0.01 -0.88 0.65 0.00 -0.55 0.00 0.00 175.29 174.50 1yx6 n ALA 109 N 4.72 3.25 -1.27 1.58 0.00 -1.26 -3.97 120.51 123.56 1yx6 n ALA 109 Ca -0.03 -0.51 -0.25 0.00 0.00 0.00 0.00 53.44 52.65 1yx6 n ALA 109 Cb 0.43 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1yx6 n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yx6 n GLU 110 N -2.10 2.23 0.10 0.00 1.02 -1.26 -4.45 120.64 116.18 1yx6 n GLU 110 Ca -0.02 -2.24 0.00 0.00 -0.02 0.00 0.00 57.16 54.88 1yx6 n GLU 110 Cb 0.51 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1yx6 n GLU 110 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1yx6 n SER 111 N 0.36 -1.86 -0.01 1.62 2.88 -1.26 -5.30 113.62 110.05 1yx6 n SER 111 Ca 0.44 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1yx6 n SER 111 Cb 0.55 1.96 0.00 0.00 -0.75 0.00 0.00 64.21 65.97 1yx6 n SER 111 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81