#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4b s HIS 2 N 0.00 2.79 -0.16 2.03 5.04 -1.26 -5.01 115.29 118.72 1y4b s HIS 2 Ca 0.00 -0.99 -0.08 0.00 -1.54 0.00 0.00 55.06 52.44 1y4b s HIS 2 Cb 0.00 -4.47 -0.04 0.00 0.04 0.00 0.00 32.58 28.11 1y4b s HIS 2 CO 0.00 -1.72 0.13 -0.51 -2.34 0.00 0.00 174.74 170.30 1y4b s LEU 3 N 3.93 4.24 0.50 8.88 1.02 -1.26 -5.11 118.68 130.88 1y4b s LEU 3 Ca 0.37 0.32 -0.11 0.00 0.02 0.00 0.00 54.13 54.73 1y4b s LEU 3 Cb -0.05 -2.06 -0.06 0.00 0.02 0.00 0.00 46.19 44.05 1y4b s LEU 3 CO -0.06 0.29 0.88 0.42 0.02 0.00 0.00 176.35 177.90 1y4b s THR 4 N -0.28 4.74 0.42 5.49 -4.23 -1.26 -4.88 115.64 115.64 1y4b s THR 4 Ca 0.11 0.73 0.13 0.00 -1.18 0.00 0.00 61.69 61.47 1y4b s THR 4 Cb -0.12 -3.79 0.33 0.00 1.34 0.00 0.00 72.50 70.26 1y4b s THR 4 CO 0.01 -0.78 1.96 -0.65 -0.54 0.00 0.00 174.62 174.62 1y4b h PRO 5 N 0.58 0.46 -0.11 3.99 0.11 -1.99 0.20 132.00 135.24 1y4b h PRO 5 Ca -0.46 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1y4b h PRO 5 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1y4b h PRO 5 CO 0.62 0.31 -0.41 0.93 -0.21 0.00 0.00 178.00 179.24 1y4b h GLU 6 N 0.48 0.24 -0.11 1.05 4.39 -1.99 -1.19 114.58 117.44 1y4b h GLU 6 Ca 0.30 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.69 1y4b h GLU 6 Cb 0.55 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1y4b h GLU 6 CO -0.09 0.61 -0.70 0.93 -1.16 0.00 0.00 179.01 178.60 1y4b h GLU 7 N 0.20 0.67 -0.17 2.33 5.08 -1.09 -2.71 114.58 118.89 1y4b h GLU 7 Ca 0.02 -0.57 -0.07 0.00 -1.00 0.00 0.00 59.36 57.74 1y4b h GLU 7 Cb 0.81 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1y4b h GLU 7 CO 0.06 1.19 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.83 1y4b h LYS 8 N 0.34 0.30 -0.11 2.33 3.64 -0.86 -0.19 116.57 122.02 1y4b h LYS 8 Ca -0.06 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1y4b h LYS 8 Cb 1.34 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1y4b h LYS 8 CO 0.14 0.50 -0.26 1.03 -2.27 0.00 0.00 179.45 178.60 1y4b h SER 9 N 0.28 0.42 -0.86 4.20 0.87 -1.21 -1.12 113.55 116.13 1y4b h SER 9 Ca 0.05 -0.57 -0.02 0.00 -1.23 0.00 0.00 61.79 60.02 1y4b h SER 9 Cb 0.53 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1y4b h SER 9 CO 0.04 0.92 0.46 0.00 -0.53 0.00 0.00 176.83 177.71 1y4b h ALA 10 N 0.52 1.18 0.05 6.23 0.00 -1.13 0.20 119.26 126.30 1y4b h ALA 10 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y4b h ALA 10 Cb 0.86 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1y4b h ALA 10 CO 0.06 0.65 -0.02 0.28 0.00 0.00 0.00 179.25 180.22 1y4b h VAL 11 N 1.22 1.08 -0.60 0.00 2.07 -0.93 -2.26 116.25 116.83 1y4b h VAL 11 Ca 0.30 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1y4b h VAL 11 Cb 0.05 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1y4b h VAL 11 CO -0.05 0.10 0.15 0.74 0.02 0.00 0.00 177.57 178.53 1y4b h THR 12 N -0.24 1.24 -0.56 2.57 2.02 -1.00 -1.99 112.91 114.95 1y4b h THR 12 Ca -0.01 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 1y4b h THR 12 Cb 0.22 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1y4b h THR 12 CO 0.01 0.33 0.06 0.00 0.37 0.00 0.00 175.52 176.29 1y4b h ALA 13 N 1.26 0.75 -0.27 6.16 0.00 -0.50 -2.68 119.26 123.98 1y4b h ALA 13 Ca 0.19 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1y4b h ALA 13 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1y4b h ALA 13 CO -0.00 0.53 -0.54 1.25 0.00 0.00 0.00 179.25 180.49 1y4b h LEU 14 N 0.84 0.95 -2.58 0.00 5.85 -1.32 -3.13 115.31 115.92 1y4b h LEU 14 Ca 0.17 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1y4b h LEU 14 Cb 0.46 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1y4b h LEU 14 CO 0.02 1.31 0.01 -0.25 -0.34 0.00 0.00 178.44 179.19 1y4b h TRP 15 N 0.62 0.00 0.00 1.25 2.91 -1.16 -1.87 115.95 117.71 1y4b h TRP 15 Ca 0.01 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 1y4b h TRP 15 Cb 1.15 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.80 1y4b h TRP 15 CO 0.08 0.00 -0.09 0.78 -1.03 0.00 0.00 178.44 178.18 1y4b h GLY 16 N 0.00 0.00 -1.04 2.65 0.00 -1.42 -2.28 103.07 100.99 1y4b h GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y4b h GLY 16 CO -0.00 0.00 -0.11 0.28 0.00 0.00 0.00 176.54 176.71 1y4b n LYS 17 N -3.40 1.74 -2.89 4.80 5.02 -0.70 -4.93 118.16 117.80 1y4b n LYS 17 Ca -0.01 -1.29 -0.41 0.00 -2.02 0.00 0.00 58.31 54.58 1y4b n LYS 17 Cb 0.25 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1y4b n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y4b s VAL 18 N -2.14 4.96 -0.63 -0.18 1.01 -0.86 -5.01 120.40 117.55 1y4b s VAL 18 Ca 0.29 1.73 -0.26 0.00 0.00 0.00 0.00 61.98 63.74 1y4b s VAL 18 Cb 0.20 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1y4b s VAL 18 CO 0.38 0.20 1.10 0.21 0.00 0.00 0.00 175.10 177.00 1y4b s ASN 19 N 0.91 6.30 0.27 3.32 3.84 -1.26 -4.90 114.94 123.41 1y4b s ASN 19 Ca 0.44 -0.36 0.06 0.00 0.21 0.00 0.00 52.86 53.21 1y4b s ASN 19 Cb -0.19 -2.50 0.36 0.00 -0.55 0.00 0.00 41.25 38.37 1y4b s ASN 19 CO 0.22 -1.49 1.63 -0.37 -2.79 0.00 0.00 177.10 174.30 1y4b h VAL 20 N 6.05 1.35 -0.13 -5.21 -1.51 -1.96 -0.68 116.25 114.17 1y4b h VAL 20 Ca -0.27 -1.77 0.05 0.00 -1.23 0.00 0.00 66.70 63.48 1y4b h VAL 20 Cb 1.06 1.86 -0.06 0.00 -2.13 0.00 0.00 31.29 32.02 1y4b h VAL 20 CO 1.18 0.52 -0.29 0.44 -1.23 0.00 0.00 177.57 178.20 1y4b h ASP 21 N 0.17 -0.89 -0.04 4.19 5.19 -1.90 0.92 116.42 124.07 1y4b h ASP 21 Ca 0.01 0.13 -0.22 0.00 -0.62 0.00 0.00 57.03 56.33 1y4b h ASP 21 Cb 0.97 0.38 0.01 0.00 0.18 0.00 0.00 39.33 40.87 1y4b h ASP 21 CO 0.08 -0.33 -0.82 -0.08 -3.12 0.00 0.00 179.24 174.97 1y4b h GLU 22 N -0.36 0.71 0.00 3.56 4.81 -1.90 -2.76 114.58 118.63 1y4b h GLU 22 Ca 0.10 -0.61 -0.09 0.00 -0.13 0.00 0.00 59.36 58.63 1y4b h GLU 22 Cb 0.51 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1y4b h GLU 22 CO -0.33 1.22 -0.42 0.28 -0.73 0.00 0.00 179.01 179.02 1y4b h VAL 23 N 0.47 1.20 -0.20 0.32 2.07 -0.96 -2.29 116.25 116.86 1y4b h VAL 23 Ca -0.06 -1.50 -0.17 0.00 0.82 0.00 0.00 66.70 65.79 1y4b h VAL 23 Cb 1.44 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1y4b h VAL 23 CO 0.16 0.42 -0.53 1.23 0.02 0.00 0.00 177.57 178.87 1y4b h GLY 24 N 1.47 0.78 1.17 2.17 0.00 -0.75 -1.44 103.07 106.46 1y4b h GLY 24 Ca -0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 47.33 46.29 1y4b h GLY 24 CO 0.06 0.88 0.20 -1.33 0.00 0.00 0.00 176.54 176.34 1y4b h GLY 25 N 0.43 1.12 1.09 4.60 0.00 -1.31 -2.36 103.07 106.64 1y4b h GLY 25 Ca -0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 46.54 1y4b h GLY 25 CO 0.11 0.61 -0.21 0.83 0.00 0.00 0.00 176.54 177.88 1y4b h GLU 26 N 1.00 0.97 -0.14 4.80 4.39 -1.25 -2.09 114.58 122.26 1y4b h GLU 26 Ca 0.22 -0.42 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 1y4b h GLU 26 Cb 0.30 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1y4b h GLU 26 CO -0.01 1.09 -0.19 0.00 -1.16 0.00 0.00 179.01 178.74 1y4b h ALA 27 N 0.85 0.21 -0.65 3.43 0.00 -1.22 -0.25 119.26 121.62 1y4b h ALA 27 Ca 0.11 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1y4b h ALA 27 Cb 0.79 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1y4b h ALA 27 CO 0.07 0.14 0.14 1.25 0.00 0.00 0.00 179.25 180.84 1y4b h LEU 28 N -0.02 1.01 -0.26 0.00 5.85 -1.49 -1.66 115.31 118.75 1y4b h LEU 28 Ca 0.01 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1y4b h LEU 28 Cb 0.76 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1y4b h LEU 28 CO 0.05 1.00 0.02 1.23 -0.34 0.00 0.00 178.44 180.39 1y4b h GLY 29 N 0.98 0.47 1.52 3.75 0.00 -1.38 -2.74 103.07 105.68 1y4b h GLY 29 Ca 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1y4b h GLY 29 CO 0.01 0.30 0.20 3.21 0.00 0.00 0.00 176.54 180.26 1y4b h ARG 30 N 0.23 0.62 -0.95 4.80 3.08 -0.94 -1.58 114.38 119.65 1y4b h ARG 30 Ca 0.08 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1y4b h ARG 30 Cb 0.37 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1y4b h ARG 30 CO 0.01 0.50 0.61 1.25 -1.07 0.00 0.00 179.97 181.26 1y4b h LEU 31 N 0.62 0.99 -0.62 3.04 5.85 -1.02 -0.54 115.31 123.63 1y4b h LEU 31 Ca 0.16 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1y4b h LEU 31 Cb 0.09 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1y4b h LEU 31 CO -0.02 0.66 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.11 1y4b h LEU 32 N 1.14 0.00 0.18 2.25 3.38 -1.06 -1.94 115.31 119.27 1y4b h LEU 32 Ca 0.39 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.02 1y4b h LEU 32 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1y4b h LEU 32 CO -0.15 0.56 -1.72 0.58 0.09 0.00 0.00 178.44 177.80 1y4b h VAL 33 N 0.00 0.95 0.02 1.22 2.07 -1.02 -3.29 116.25 116.20 1y4b h VAL 33 Ca -0.01 -2.50 -0.22 0.00 0.82 0.00 0.00 66.70 64.79 1y4b h VAL 33 Cb 1.15 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.66 1y4b h VAL 33 CO 0.07 0.85 -1.04 0.58 0.02 0.00 0.00 177.57 178.05 1y4b h VAL 34 N 0.07 1.68 -2.13 2.57 2.07 -1.16 -3.38 116.25 115.96 1y4b h VAL 34 Ca -0.34 -3.36 -0.57 0.00 0.82 0.00 0.00 66.70 63.25 1y4b h VAL 34 Cb 2.07 2.86 -0.41 0.00 -1.52 0.00 0.00 31.29 34.29 1y4b h VAL 34 CO 0.17 0.96 -0.81 -1.22 0.02 0.00 0.00 177.57 176.69 1y4b n TYR 35 N -3.39 2.24 0.12 1.57 4.01 -0.73 -4.98 117.16 116.00 1y4b n TYR 35 Ca -0.02 -3.93 0.19 0.00 -0.16 0.00 0.00 57.90 53.99 1y4b n TYR 35 Cb 0.95 -0.47 0.67 0.00 -0.31 0.00 0.00 39.34 40.18 1y4b n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1y4b h PRO 36 N 3.76 0.00 0.00 -0.72 0.11 -1.75 -0.34 132.00 133.06 1y4b h PRO 36 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1y4b h PRO 36 Cb 0.73 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1y4b h PRO 36 CO 0.69 0.00 -0.06 1.12 -0.21 0.00 0.00 178.00 179.54 1y4b h HIS 37 N 0.00 0.00 0.00 0.65 2.07 -1.92 -1.75 115.15 114.20 1y4b h HIS 37 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 1y4b h HIS 37 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 1y4b h HIS 37 CO 0.00 0.06 0.00 0.25 -3.07 0.00 0.00 177.93 175.17 1y4b n THR 38 N -3.68 1.16 0.35 6.12 -2.24 -0.14 -2.18 114.28 113.67 1y4b n THR 38 Ca -0.02 0.31 0.05 0.00 -2.27 0.00 0.00 64.05 62.12 1y4b n THR 38 Cb 0.16 -1.15 0.22 0.00 -2.10 0.00 0.00 70.33 67.47 1y4b n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y4b n GLN 39 N -1.64 0.00 0.29 -0.78 6.02 -0.66 -3.07 117.38 117.54 1y4b n GLN 39 Ca 0.02 0.33 0.18 0.00 -0.01 0.00 0.00 57.00 57.53 1y4b n GLN 39 Cb 0.14 -1.51 0.98 0.00 1.02 0.00 0.00 30.24 30.87 1y4b n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y4b h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.67 -0.34 114.38 111.39 1y4b h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y4b h ARG 40 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1y4b h ARG 40 CO 0.00 0.00 -0.33 1.19 0.10 0.00 0.00 179.97 180.93 1y4b n PHE 41 N -3.46 0.00 -2.08 4.08 3.72 -1.17 -4.43 117.46 114.12 1y4b n PHE 41 Ca -0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 1y4b n PHE 41 Cb 0.19 -0.14 0.09 0.00 -0.94 0.00 0.00 39.48 38.69 1y4b n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1y4b n PHE 42 N -0.81 1.00 0.30 1.38 3.72 -0.14 -4.78 117.46 118.13 1y4b n PHE 42 Ca 0.10 -1.62 0.17 0.00 -0.05 0.00 0.00 57.45 56.06 1y4b n PHE 42 Cb 0.35 -0.25 0.74 0.00 -0.94 0.00 0.00 39.48 39.38 1y4b n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1y4b h GLU 43 N 1.59 0.00 0.00 -1.08 4.11 -1.77 -0.56 114.58 116.86 1y4b h GLU 43 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1y4b h GLU 43 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1y4b h GLU 43 CO 0.27 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.22 1y4b n SER 44 N -2.94 0.00 -0.09 3.06 3.41 -1.26 -3.68 113.62 112.12 1y4b n SER 44 Ca 0.00 -0.42 0.14 0.00 -0.26 0.00 0.00 58.87 58.33 1y4b n SER 44 Cb 0.25 -0.17 0.54 0.00 -0.26 0.00 0.00 64.21 64.57 1y4b n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y4b n PHE 45 N -1.17 0.00 -0.33 7.33 3.01 -0.22 -5.03 117.46 121.05 1y4b n PHE 45 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.63 1y4b n PHE 45 Cb 0.17 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 1y4b n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y4b n GLY 46 N 1.35 0.55 3.64 1.37 0.00 -1.24 -4.84 105.19 106.02 1y4b n GLY 46 Ca 0.12 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 1y4b n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y4b s ASP 47 N -4.00 6.48 -0.14 1.61 2.15 -1.26 -4.85 116.67 116.66 1y4b s ASP 47 Ca 0.00 1.66 0.16 0.00 0.43 0.00 0.00 52.55 54.79 1y4b s ASP 47 Cb 0.00 -2.53 0.42 0.00 -0.30 0.00 0.00 42.92 40.51 1y4b s ASP 47 CO 0.00 -1.16 1.20 0.18 -0.17 0.00 0.00 175.17 175.22 1y4b n LEU 48 N 8.07 2.18 0.16 -1.34 4.77 -1.26 -4.43 117.00 125.14 1y4b n LEU 48 Ca 0.18 -3.30 0.07 0.00 -0.03 0.00 0.00 56.01 52.93 1y4b n LEU 48 Cb 0.45 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1y4b n LEU 48 CO 0.64 1.12 0.46 0.77 -1.33 0.00 0.00 177.39 179.05 1y4b h SER 49 N 1.01 0.00 -4.55 -1.43 4.64 -1.90 -3.44 113.55 107.87 1y4b h SER 49 Ca -0.07 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.99 1y4b h SER 49 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1y4b h SER 49 CO 0.04 0.23 -0.68 0.42 -0.87 0.00 0.00 176.83 175.97 1y4b s THR 50 N -3.12 0.69 0.20 2.95 -4.23 -1.26 -5.00 115.64 105.86 1y4b s THR 50 Ca 0.04 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 1y4b s THR 50 Cb 0.07 -1.93 0.20 0.00 1.34 0.00 0.00 72.50 72.18 1y4b s THR 50 CO 0.73 -0.65 1.64 -0.65 -0.54 0.00 0.00 174.62 175.15 1y4b h PRO 51 N 2.81 -0.00 -0.08 3.99 0.11 -1.98 -0.76 132.00 136.09 1y4b h PRO 51 Ca -0.36 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 1y4b h PRO 51 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1y4b h PRO 51 CO 0.63 -0.00 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.74 1y4b h ASP 52 N -0.00 0.13 0.27 -2.05 3.32 -1.99 -1.47 116.42 114.63 1y4b h ASP 52 Ca 0.28 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 1y4b h ASP 52 Cb 0.42 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1y4b h ASP 52 CO -0.60 0.38 -0.44 0.00 -1.72 0.00 0.00 179.24 176.86 1y4b h ALA 53 N 1.64 1.09 0.02 3.45 0.00 -1.51 -2.23 119.26 121.72 1y4b h ALA 53 Ca 0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1y4b h ALA 53 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1y4b h ALA 53 CO 0.03 0.60 -0.01 0.28 0.00 0.00 0.00 179.25 180.16 1y4b h VAL 54 N 0.18 1.49 -0.11 0.00 2.07 -0.84 -2.87 116.25 116.17 1y4b h VAL 54 Ca 0.01 -1.76 -0.08 0.00 0.82 0.00 0.00 66.70 65.69 1y4b h VAL 54 Cb 0.85 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1y4b h VAL 54 CO 0.07 0.44 -0.30 0.24 0.02 0.00 0.00 177.57 178.04 1y4b h MET 55 N -0.81 0.20 -0.01 1.57 2.07 -1.30 -2.75 114.93 113.90 1y4b h MET 55 Ca -0.00 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 1y4b h MET 55 Cb 0.74 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.46 1y4b h MET 55 CO 0.00 0.49 -0.41 0.41 1.07 0.00 0.00 176.91 178.47 1y4b n GLY 56 N -0.49 -0.41 3.67 8.32 0.00 -0.84 -4.84 105.19 110.60 1y4b n GLY 56 Ca -0.01 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1y4b n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1y4b s ASN 57 N -2.55 6.49 0.34 1.61 3.84 -1.04 -4.89 114.94 118.75 1y4b s ASN 57 Ca 0.20 2.60 0.06 0.00 0.21 0.00 0.00 52.86 55.94 1y4b s ASN 57 Cb 0.18 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.97 1y4b s ASN 57 CO 0.57 -1.01 1.86 1.55 -2.79 0.00 0.00 177.10 177.28 1y4b h PRO 58 N 9.85 0.41 -0.03 0.43 0.13 -1.91 -1.46 132.00 139.41 1y4b h PRO 58 Ca -0.47 -0.10 -0.06 0.00 -0.87 0.00 0.00 66.00 64.50 1y4b h PRO 58 Cb 1.22 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1y4b h PRO 58 CO 0.94 0.52 -0.25 0.87 -0.23 0.00 0.00 178.00 179.85 1y4b h LYS 59 N 0.38 0.05 -0.07 0.86 1.57 -1.90 -0.48 116.57 116.98 1y4b h LYS 59 Ca 0.08 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.65 1y4b h LYS 59 Cb 0.42 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.73 1y4b h LYS 59 CO 0.02 0.31 -0.69 0.28 -0.57 0.00 0.00 179.45 178.80 1y4b h VAL 60 N 0.05 1.34 0.08 0.50 2.07 -1.61 -2.20 116.25 116.48 1y4b h VAL 60 Ca 0.01 -1.99 -0.00 0.00 0.82 0.00 0.00 66.70 65.53 1y4b h VAL 60 Cb 0.48 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1y4b h VAL 60 CO 0.03 0.61 -0.04 0.11 0.02 0.00 0.00 177.57 178.30 1y4b h LYS 61 N 0.21 -0.10 -0.93 1.57 1.57 -1.32 0.15 116.57 117.72 1y4b h LYS 61 Ca -0.07 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1y4b h LYS 61 Cb 1.35 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.62 1y4b h LYS 61 CO 0.14 0.01 0.60 0.00 -0.57 0.00 0.00 179.45 179.63 1y4b h ALA 62 N 0.73 1.25 -0.31 3.86 0.00 -1.13 -1.68 119.26 121.99 1y4b h ALA 62 Ca -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1y4b h ALA 62 Cb 0.16 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1y4b h ALA 62 CO 0.02 0.44 -0.48 1.25 0.00 0.00 0.00 179.25 180.48 1y4b h HIS 63 N 1.15 1.04 -0.91 0.00 -0.00 -1.19 -2.85 115.15 112.38 1y4b h HIS 63 Ca 0.38 -0.34 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1y4b h HIS 63 Cb 0.06 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.21 1y4b h HIS 63 CO -0.01 1.16 0.59 0.78 -0.00 0.00 0.00 177.93 180.44 1y4b h GLY 64 N 0.79 1.33 1.37 5.26 0.00 -0.35 0.52 103.07 111.99 1y4b h GLY 64 Ca 0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1y4b h GLY 64 CO 0.11 0.38 0.30 1.70 0.00 0.00 0.00 176.54 179.02 1y4b h LYS 65 N 1.14 0.82 -0.03 4.80 3.64 -1.19 -0.38 116.57 125.37 1y4b h LYS 65 Ca 0.36 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 1y4b h LYS 65 Cb 0.01 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1y4b h LYS 65 CO -0.12 0.63 -0.44 -0.22 -2.27 0.00 0.00 179.45 177.03 1y4b h LYS 66 N 0.83 0.36 -0.29 1.90 3.64 -1.20 -1.49 116.57 120.32 1y4b h LYS 66 Ca 0.21 -0.34 0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1y4b h LYS 66 Cb 0.07 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1y4b h LYS 66 CO -0.03 1.01 -0.01 0.28 -2.27 0.00 0.00 179.45 178.42 1y4b h VAL 67 N -0.16 0.78 0.00 2.00 2.07 -0.58 -2.41 116.25 117.95 1y4b h VAL 67 Ca -0.05 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 1y4b h VAL 67 Cb 1.13 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1y4b h VAL 67 CO 0.09 0.01 -0.33 -0.07 0.02 0.00 0.00 177.57 177.29 1y4b h LEU 68 N 0.07 0.00 -0.15 2.57 3.38 -1.08 -2.27 115.31 117.83 1y4b h LEU 68 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1y4b h LEU 68 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1y4b h LEU 68 CO -0.24 0.33 0.06 1.23 0.09 0.00 0.00 178.44 179.90 1y4b h GLY 69 N 2.41 0.24 2.00 0.83 0.00 -0.83 0.79 103.07 108.51 1y4b h GLY 69 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1y4b h GLY 69 CO 0.04 0.13 -0.21 0.00 0.00 0.00 0.00 176.54 176.50 1y4b h ALA 70 N 0.89 1.65 -0.24 3.60 0.00 -1.22 -2.35 119.26 121.58 1y4b h ALA 70 Ca 0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1y4b h ALA 70 Cb 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1y4b h ALA 70 CO -0.00 0.27 -0.26 0.35 0.00 0.00 0.00 179.25 179.60 1y4b h PHE 71 N 0.00 0.72 -0.45 0.00 3.04 -0.92 -2.39 116.94 116.94 1y4b h PHE 71 Ca -0.00 -0.22 -0.05 0.00 3.98 0.00 0.00 57.97 61.68 1y4b h PHE 71 Cb 0.38 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 1y4b h PHE 71 CO 0.00 0.94 0.09 0.77 -2.02 0.00 0.00 178.31 178.09 1y4b h SER 72 N 0.30 0.63 -0.17 0.41 0.02 -0.65 -0.81 113.55 113.27 1y4b h SER 72 Ca 0.03 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 1y4b h SER 72 Cb 0.83 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1y4b h SER 72 CO 0.06 0.64 -0.19 0.44 -1.14 0.00 0.00 176.83 176.65 1y4b h ASP 73 N 0.66 0.59 0.15 3.07 5.19 -1.27 -1.55 116.42 123.26 1y4b h ASP 73 Ca 0.15 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 1y4b h ASP 73 Cb 0.28 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 1y4b h ASP 73 CO 0.00 0.79 -0.12 1.23 -3.12 0.00 0.00 179.24 178.02 1y4b h GLY 74 N 0.98 0.00 1.78 2.75 0.00 -0.63 -2.17 103.07 105.77 1y4b h GLY 74 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1y4b h GLY 74 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 1y4b n LEU 75 N -4.21 0.00 -0.56 3.11 4.77 -0.59 -1.31 117.00 118.21 1y4b n LEU 75 Ca -0.03 0.39 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 1y4b n LEU 75 Cb 0.20 -0.39 0.19 0.00 -2.33 0.00 0.00 43.42 41.09 1y4b n LEU 75 CO 0.34 -0.12 0.55 0.00 -1.33 0.00 0.00 177.39 176.83 1y4b n ALA 76 N -1.39 3.03 -2.64 -1.18 0.00 -0.82 -4.36 120.51 113.16 1y4b n ALA 76 Ca 0.07 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 1y4b n ALA 76 Cb 0.20 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1y4b n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y4b n HIS 77 N 0.22 1.46 0.26 0.00 8.25 -0.43 -4.94 115.22 120.03 1y4b n HIS 77 Ca 0.13 -2.84 0.06 0.00 -0.26 0.00 0.00 57.72 54.81 1y4b n HIS 77 Cb 0.46 -0.34 0.30 0.00 1.12 0.00 0.00 29.99 31.52 1y4b n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y4b n LEU 78 N -0.12 0.23 -0.55 2.41 4.77 -1.20 -1.26 117.00 121.28 1y4b n LEU 78 Ca 0.13 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 1y4b n LEU 78 Cb 0.80 -0.58 0.13 0.00 -2.33 0.00 0.00 43.42 41.44 1y4b n LEU 78 CO 0.28 -0.52 0.48 0.47 -1.33 0.00 0.00 177.39 176.77 1y4b n ASP 79 N -1.78 2.02 -3.13 -1.43 8.00 -1.26 -4.54 116.55 114.44 1y4b n ASP 79 Ca 0.01 -1.51 -0.17 0.00 0.71 0.00 0.00 54.79 53.83 1y4b n ASP 79 Cb 0.10 0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 1y4b n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1y4b n ASN 80 N 0.18 0.36 -0.01 -2.24 5.15 -0.39 -4.94 115.26 113.37 1y4b n ASN 80 Ca 0.12 -3.07 -0.18 0.00 -0.60 0.00 0.00 54.58 50.84 1y4b n ASN 80 Cb 0.47 -0.29 -0.08 0.00 -0.53 0.00 0.00 39.78 39.35 1y4b n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y4b h LEU 81 N 3.09 0.94 -0.27 1.20 3.38 -1.80 -1.97 115.31 119.89 1y4b h LEU 81 Ca 0.07 -0.65 0.02 0.00 0.09 0.00 0.00 57.88 57.41 1y4b h LEU 81 Cb 0.98 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1y4b h LEU 81 CO 0.45 1.45 0.14 0.11 0.09 0.00 0.00 178.44 180.67 1y4b h LYS 82 N 0.51 0.28 -0.03 1.13 1.57 -1.92 -1.43 116.57 116.69 1y4b h LYS 82 Ca -0.07 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1y4b h LYS 82 Cb 1.46 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.71 1y4b h LYS 82 CO 0.17 0.19 0.00 0.78 -0.57 0.00 0.00 179.45 180.02 1y4b h GLY 83 N 0.29 0.05 0.24 3.86 0.00 -1.95 -1.93 103.07 103.62 1y4b h GLY 83 Ca 0.11 -0.03 0.17 0.00 0.00 0.00 0.00 47.33 47.57 1y4b h GLY 83 CO -0.07 0.03 0.62 -0.84 0.00 0.00 0.00 176.54 176.28 1y4b h THR 84 N -0.21 0.77 -0.54 4.70 2.02 -1.20 -1.88 112.91 116.58 1y4b h THR 84 Ca 0.01 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1y4b h THR 84 Cb 0.27 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1y4b h THR 84 CO 0.00 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.53 1y4b n PHE 85 N -4.71 0.71 -0.13 3.16 3.72 -0.55 -4.66 117.46 115.00 1y4b n PHE 85 Ca 0.22 -0.40 -0.04 0.00 -0.05 0.00 0.00 57.45 57.18 1y4b n PHE 85 Cb 0.51 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1y4b n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y4b h ALA 86 N 3.94 0.39 0.00 4.37 0.00 -0.52 -0.04 119.26 127.40 1y4b h ALA 86 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1y4b h ALA 86 Cb 0.93 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1y4b h ALA 86 CO 0.00 -0.39 -0.40 1.79 0.00 0.00 0.00 179.25 180.25 1y4b h THR 87 N 0.10 1.28 0.00 0.00 1.35 -1.83 -2.58 112.91 111.24 1y4b h THR 87 Ca 0.21 -1.38 -0.21 0.00 -0.55 0.00 0.00 66.41 64.48 1y4b h THR 87 Cb 0.30 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1y4b h THR 87 CO -0.35 0.39 -0.90 0.25 -0.25 0.00 0.00 175.52 174.66 1y4b h LEU 88 N 0.00 0.35 0.79 3.87 5.85 -1.71 -2.25 115.31 122.21 1y4b h LEU 88 Ca -0.00 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1y4b h LEU 88 Cb 0.71 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1y4b h LEU 88 CO 0.05 1.08 -0.45 -1.28 -0.34 0.00 0.00 178.44 177.50 1y4b h SER 89 N 0.15 -1.12 -0.53 1.25 0.87 -0.85 0.07 113.55 113.40 1y4b h SER 89 Ca -0.06 0.06 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1y4b h SER 89 Cb 1.53 0.32 -0.09 0.00 -0.44 0.00 0.00 62.40 63.72 1y4b h SER 89 CO 0.14 -0.72 0.02 -0.33 -0.53 0.00 0.00 176.83 175.41 1y4b h GLU 90 N -1.16 0.13 -0.04 2.24 5.08 -1.48 -1.46 114.58 117.89 1y4b h GLU 90 Ca -0.11 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1y4b h GLU 90 Cb 0.92 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1y4b h GLU 90 CO 0.13 0.09 -0.08 1.25 -1.00 0.00 0.00 179.01 179.40 1y4b h LEU 91 N 0.14 -0.25 -1.29 1.33 5.85 -1.21 0.15 115.31 120.03 1y4b h LEU 91 Ca 0.27 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.10 1y4b h LEU 91 Cb 0.41 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1y4b h LEU 91 CO -0.43 -0.12 0.52 0.45 -0.34 0.00 0.00 178.44 178.52 1y4b h HIS 92 N -0.12 0.86 0.23 1.25 3.86 -0.18 -1.34 115.15 119.70 1y4b h HIS 92 Ca 0.05 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1y4b h HIS 92 Cb 0.19 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1y4b h HIS 92 CO -0.17 0.45 -0.11 0.00 0.86 0.00 0.00 177.93 178.96 1y4b h ASP 94 N -1.07 0.00 0.00 0.00 3.32 -0.66 -3.17 116.42 114.84 1y4b h ASP 94 Ca -0.03 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.77 1y4b h ASP 94 Cb 0.24 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1y4b h ASP 94 CO 0.05 0.38 -1.87 0.29 -1.72 0.00 0.00 179.24 176.37 1y4b n LYS 95 N -3.10 0.34 0.07 3.56 4.01 -0.55 -4.78 118.16 117.71 1y4b n LYS 95 Ca 0.00 0.13 0.11 0.00 -0.51 0.00 0.00 58.31 58.04 1y4b n LYS 95 Cb 0.70 -1.13 -0.04 0.00 -0.51 0.00 0.00 35.03 34.04 1y4b n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1y4b n LEU 96 N -3.47 0.60 -3.40 -0.35 4.77 -0.95 -5.00 117.00 109.21 1y4b n LEU 96 Ca -0.29 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 1y4b n LEU 96 Cb 0.74 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.86 1y4b n LEU 96 CO 0.06 -0.13 0.17 1.41 -1.33 0.00 0.00 177.39 177.57 1y4b n HIS 97 N -2.53 -2.41 -3.30 -1.77 8.25 0.07 -4.97 115.22 108.57 1y4b n HIS 97 Ca -0.01 0.94 -0.40 0.00 -0.26 0.00 0.00 57.72 57.98 1y4b n HIS 97 Cb 0.55 -4.94 -0.08 0.00 1.12 0.00 0.00 29.99 26.64 1y4b n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y4b s VAL 98 N -3.33 5.09 -0.03 1.59 1.01 -0.49 -5.02 120.40 119.22 1y4b s VAL 98 Ca 0.25 0.42 -0.33 0.00 0.00 0.00 0.00 61.98 62.31 1y4b s VAL 98 Cb -0.11 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 1y4b s VAL 98 CO 0.70 -0.07 1.87 -0.67 0.00 0.00 0.00 175.10 176.93 1y4b n ASP 99 N 5.56 3.59 0.31 3.32 -0.08 -1.26 -4.73 116.55 123.26 1y4b n ASP 99 Ca -0.06 0.97 0.19 0.00 -1.51 0.00 0.00 54.79 54.37 1y4b n ASP 99 Cb 0.49 -1.42 0.97 0.00 2.34 0.00 0.00 41.12 43.51 1y4b n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1y4b h PRO 100 N 9.12 0.00 -0.13 -0.67 0.11 -1.97 -1.10 132.00 137.37 1y4b h PRO 100 Ca -0.48 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1y4b h PRO 100 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1y4b h PRO 100 CO 0.94 0.00 0.16 1.49 -0.21 0.00 0.00 178.00 180.38 1y4b h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.98 0.12 114.58 118.33 1y4b h GLU 101 Ca 0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1y4b h GLU 101 Cb 0.40 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1y4b h GLU 101 CO -0.00 0.00 -0.11 -0.91 -1.18 0.00 0.00 179.01 176.81 1y4b h ASN 102 N 0.00 0.00 1.28 1.04 -0.26 -1.56 -2.52 115.58 113.56 1y4b h ASN 102 Ca 0.06 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.67 1y4b h ASN 102 Cb 0.37 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 1y4b h ASN 102 CO -0.00 0.11 -0.62 -0.26 -1.06 0.00 0.00 177.43 175.60 1y4b h PHE 103 N 0.00 0.00 0.08 1.19 0.04 -0.97 -2.46 116.94 114.81 1y4b h PHE 103 Ca -0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.49 1y4b h PHE 103 Cb 0.26 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.43 1y4b h PHE 103 CO 0.00 0.62 -1.15 0.00 -0.60 0.00 0.00 178.31 177.18 1y4b h ARG 104 N 0.00 0.55 -0.44 1.51 3.08 -1.49 -2.23 114.38 115.35 1y4b h ARG 104 Ca -0.01 -0.69 -0.03 0.00 0.07 0.00 0.00 59.98 59.32 1y4b h ARG 104 Cb 1.42 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.67 1y4b h ARG 104 CO 0.08 1.29 0.15 -0.07 -1.07 0.00 0.00 179.97 180.35 1y4b h LEU 105 N 0.26 0.63 -1.42 3.04 3.38 -1.45 -2.05 115.31 117.70 1y4b h LEU 105 Ca -0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1y4b h LEU 105 Cb 1.81 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 1y4b h LEU 105 CO 0.21 0.65 0.22 0.25 0.09 0.00 0.00 178.44 179.86 1y4b h LEU 106 N 0.57 0.54 -0.60 1.67 5.85 -1.46 -1.91 115.31 119.98 1y4b h LEU 106 Ca 0.14 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 1y4b h LEU 106 Cb 0.24 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1y4b h LEU 106 CO -0.01 0.46 -0.27 1.23 -0.34 0.00 0.00 178.44 179.52 1y4b h GLY 107 N 0.72 0.90 1.84 3.75 0.00 -0.80 -1.21 103.07 108.26 1y4b h GLY 107 Ca 0.16 -0.81 -0.15 0.00 0.00 0.00 0.00 47.33 46.52 1y4b h GLY 107 CO -0.02 0.74 -0.68 3.43 0.00 0.00 0.00 176.54 180.01 1y4b h ASN 108 N 0.71 0.18 -0.35 0.19 2.35 -1.01 -2.25 115.58 115.40 1y4b h ASN 108 Ca 0.09 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 1y4b h ASN 108 Cb 0.81 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1y4b h ASN 108 CO 0.07 0.80 -0.15 0.58 -1.65 0.00 0.00 177.43 177.08 1y4b h VAL 109 N 0.11 1.29 -0.89 2.81 2.07 -1.26 -2.56 116.25 117.82 1y4b h VAL 109 Ca -0.01 -1.25 0.11 0.00 0.82 0.00 0.00 66.70 66.37 1y4b h VAL 109 Cb 1.21 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 32.26 1y4b h VAL 109 CO 0.10 0.41 0.52 0.25 0.02 0.00 0.00 177.57 178.86 1y4b h LEU 110 N 0.49 0.72 -0.25 2.57 5.85 -1.02 0.61 115.31 124.28 1y4b h LEU 110 Ca 0.08 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1y4b h LEU 110 Cb 0.68 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1y4b h LEU 110 CO 0.05 0.38 0.16 0.58 -0.34 0.00 0.00 178.44 179.27 1y4b h VAL 111 N 0.82 1.08 -0.29 1.05 2.07 -1.34 -0.35 116.25 119.28 1y4b h VAL 111 Ca 0.44 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.72 1y4b h VAL 111 Cb 0.47 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1y4b h VAL 111 CO -0.28 0.08 -0.09 0.00 0.02 0.00 0.00 177.57 177.31 1y4b h VAL 113 N 0.44 1.25 -0.34 0.00 2.07 -0.40 -0.66 116.25 118.61 1y4b h VAL 113 Ca 0.09 -0.90 -0.15 0.00 0.82 0.00 0.00 66.70 66.56 1y4b h VAL 113 Cb 0.42 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1y4b h VAL 113 CO 0.02 0.34 -0.37 -0.07 0.02 0.00 0.00 177.57 177.51 1y4b h LEU 114 N 0.97 0.85 -0.35 2.57 3.38 -0.87 -1.68 115.31 120.19 1y4b h LEU 114 Ca 0.21 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1y4b h LEU 114 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1y4b h LEU 114 CO -0.00 1.13 0.12 0.00 0.09 0.00 0.00 178.44 179.78 1y4b h ALA 115 N 0.91 0.45 -0.90 1.53 0.00 -1.21 -1.51 119.26 118.54 1y4b h ALA 115 Ca 0.06 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1y4b h ALA 115 Cb 0.93 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1y4b h ALA 115 CO 0.09 0.08 0.59 1.25 0.00 0.00 0.00 179.25 181.25 1y4b h HIS 116 N 0.41 1.11 0.07 0.00 -0.00 -0.81 -1.37 115.15 114.55 1y4b h HIS 116 Ca 0.11 0.03 -0.28 0.00 -0.00 0.00 0.00 60.37 60.23 1y4b h HIS 116 Cb 0.23 -0.37 0.02 0.00 -0.00 0.00 0.00 27.41 27.29 1y4b h HIS 116 CO 0.00 0.66 -1.14 0.45 -0.00 0.00 0.00 177.93 177.91 1y4b h HIS 117 N 1.17 0.89 -0.01 5.26 -0.00 -1.20 -3.37 115.15 117.89 1y4b h HIS 117 Ca 0.34 -0.53 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 1y4b h HIS 117 Cb -0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.27 1y4b h HIS 117 CO -0.01 1.38 -0.75 1.19 -0.00 0.00 0.00 177.93 179.74 1y4b n PHE 118 N -3.77 0.00 -1.18 2.45 3.72 -0.58 -5.04 117.46 113.06 1y4b n PHE 118 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1y4b n PHE 118 Cb 0.94 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 1y4b n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y4b n GLY 119 N 1.46 2.93 0.42 1.37 0.00 -0.53 -2.48 105.19 108.36 1y4b n GLY 119 Ca 0.06 -0.16 0.23 0.00 0.00 0.00 0.00 46.02 46.16 1y4b n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y4b h LYS 120 N 0.00 0.33 0.00 1.61 -0.00 -1.96 0.74 116.57 117.29 1y4b h LYS 120 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 1y4b h LYS 120 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 32.16 1y4b h LYS 120 CO 0.00 0.22 0.04 1.49 -0.00 0.00 0.00 179.45 181.20 1y4b h GLU 121 N 0.34 0.00 -4.13 0.07 4.81 -1.89 -3.23 114.58 110.55 1y4b h GLU 121 Ca 0.56 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 59.03 1y4b h GLU 121 Cb 1.52 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.69 1y4b h GLU 121 CO -0.23 0.00 1.11 0.34 -0.73 0.00 0.00 179.01 179.50 1y4b n PHE 122 N -2.71 4.70 -1.72 0.92 7.35 0.25 -4.93 117.46 121.32 1y4b n PHE 122 Ca -0.02 -3.43 -0.31 0.00 -0.76 0.00 0.00 57.45 52.93 1y4b n PHE 122 Cb 0.10 -1.95 0.03 0.00 0.35 0.00 0.00 39.48 38.00 1y4b n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y4b s THR 123 N 0.26 4.17 0.24 -2.13 -4.23 -1.22 -4.71 115.64 108.02 1y4b s THR 123 Ca 0.38 0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 61.59 1y4b s THR 123 Cb -0.03 -3.51 0.21 0.00 1.34 0.00 0.00 72.50 70.51 1y4b s THR 123 CO -0.02 -0.87 1.71 -0.65 -0.54 0.00 0.00 174.62 174.25 1y4b h PRO 124 N -0.43 0.33 -0.26 3.99 0.11 -1.93 0.44 132.00 134.25 1y4b h PRO 124 Ca -0.44 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1y4b h PRO 124 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1y4b h PRO 124 CO 0.58 0.22 -0.09 -1.35 -0.21 0.00 0.00 178.00 177.15 1y4b h PRO 125 N 0.34 0.42 -0.12 1.05 0.11 -1.99 -0.83 132.00 130.97 1y4b h PRO 125 Ca 0.40 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.36 1y4b h PRO 125 Cb 0.63 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 1y4b h PRO 125 CO -0.44 0.52 -0.09 0.28 -0.21 0.00 0.00 178.00 178.06 1y4b h VAL 126 N 0.39 1.34 -0.66 3.15 2.07 -1.08 -2.44 116.25 119.02 1y4b h VAL 126 Ca 0.08 -1.19 0.09 0.00 0.82 0.00 0.00 66.70 66.50 1y4b h VAL 126 Cb 0.41 1.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 1y4b h VAL 126 CO 0.02 0.34 0.30 -0.61 0.02 0.00 0.00 177.57 177.64 1y4b h GLN 127 N -0.10 0.51 -0.97 1.57 4.15 0.02 -1.71 115.11 118.59 1y4b h GLN 127 Ca 0.02 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1y4b h GLN 127 Cb 0.58 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 1y4b h GLN 127 CO 0.02 0.34 0.63 0.00 -1.93 0.00 0.00 178.83 177.89 1y4b h ALA 128 N 1.41 1.44 -0.45 3.38 0.00 -1.00 0.15 119.26 124.20 1y4b h ALA 128 Ca 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1y4b h ALA 128 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1y4b h ALA 128 CO -0.27 0.42 0.11 0.00 0.00 0.00 0.00 179.25 179.51 1y4b h ALA 129 N 1.47 0.59 0.00 0.00 0.00 -0.84 -2.78 119.26 117.70 1y4b h ALA 129 Ca 0.41 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1y4b h ALA 129 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1y4b h ALA 129 CO -0.16 0.27 -0.33 1.88 0.00 0.00 0.00 179.25 180.92 1y4b h TYR 130 N 0.59 0.00 -0.45 0.00 0.05 -0.63 -2.12 116.97 114.41 1y4b h TYR 130 Ca 0.14 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 1y4b h TYR 130 Cb 0.32 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 1y4b h TYR 130 CO 0.02 0.33 -0.01 1.96 -1.05 0.00 0.00 178.16 179.40 1y4b h GLN 131 N 0.00 0.81 -0.74 4.88 1.08 -0.47 -0.58 115.11 120.10 1y4b h GLN 131 Ca -0.00 -0.27 -0.06 0.00 -1.45 0.00 0.00 58.65 56.87 1y4b h GLN 131 Cb 0.64 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 1y4b h GLN 131 CO 0.04 0.88 0.22 0.87 -0.95 0.00 0.00 178.83 179.89 1y4b h LYS 132 N 0.66 1.15 -0.24 1.46 1.57 -1.28 -1.51 116.57 118.38 1y4b h LYS 132 Ca 0.13 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1y4b h LYS 132 Cb 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1y4b h LYS 132 CO 0.03 0.99 0.08 0.28 -0.57 0.00 0.00 179.45 180.25 1y4b h VAL 133 N 1.10 1.19 -0.32 0.50 2.07 -1.18 -0.61 116.25 119.01 1y4b h VAL 133 Ca 0.24 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 67.01 1y4b h VAL 133 Cb 0.33 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1y4b h VAL 133 CO -0.00 0.20 -0.36 -0.37 0.02 0.00 0.00 177.57 177.05 1y4b h VAL 134 N 0.23 1.29 -0.91 2.57 -1.51 -1.05 -0.80 116.25 116.06 1y4b h VAL 134 Ca 0.08 -1.52 0.04 0.00 -1.23 0.00 0.00 66.70 64.07 1y4b h VAL 134 Cb 0.23 1.43 -0.06 0.00 -2.13 0.00 0.00 31.29 30.77 1y4b h VAL 134 CO -0.00 0.50 0.59 0.00 -1.23 0.00 0.00 177.57 177.42 1y4b h ALA 135 N 0.99 1.23 -0.44 5.19 0.00 -1.19 -0.08 119.26 124.96 1y4b h ALA 135 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1y4b h ALA 135 Cb 0.90 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1y4b h ALA 135 CO 0.08 0.41 0.03 0.78 0.00 0.00 0.00 179.25 180.56 1y4b h GLY 136 N 1.11 0.81 0.90 0.00 0.00 -0.60 -1.29 103.07 104.01 1y4b h GLY 136 Ca 0.38 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1y4b h GLY 136 CO -0.14 0.53 0.10 -2.08 0.00 0.00 0.00 176.54 174.95 1y4b h VAL 137 N 0.60 1.18 -0.54 4.60 2.07 -0.96 -1.12 116.25 122.09 1y4b h VAL 137 Ca 0.13 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1y4b h VAL 137 Cb 0.44 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1y4b h VAL 137 CO 0.02 0.19 0.27 0.00 0.02 0.00 0.00 177.57 178.06 1y4b h ALA 138 N 0.94 0.69 -0.37 1.67 0.00 -0.82 -0.88 119.26 120.49 1y4b h ALA 138 Ca 0.09 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1y4b h ALA 138 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1y4b h ALA 138 CO -0.01 -0.09 -0.05 -0.91 0.00 0.00 0.00 179.25 178.20 1y4b h ASN 139 N 0.51 0.59 -0.45 0.00 2.35 -1.08 -2.36 115.58 115.14 1y4b h ASN 139 Ca 0.24 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 1y4b h ASN 139 Cb 0.17 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1y4b h ASN 139 CO -0.18 0.69 -0.16 0.00 -1.65 0.00 0.00 177.43 176.13 1y4b h ALA 140 N 1.38 0.62 0.00 -0.83 0.00 -0.68 -2.23 119.26 117.51 1y4b h ALA 140 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1y4b h ALA 140 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1y4b h ALA 140 CO 0.02 0.56 0.00 -0.07 0.00 0.00 0.00 179.25 179.76 1y4b h LEU 141 N 0.73 0.00 -0.27 0.00 3.38 -0.87 -2.88 115.31 115.39 1y4b h LEU 141 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1y4b h LEU 141 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1y4b h LEU 141 CO 0.05 0.00 -0.72 0.00 0.09 0.00 0.00 178.44 177.87 1y4b n ALA 142 N -1.96 4.11 0.24 1.53 0.00 -0.92 -4.41 120.51 119.10 1y4b n ALA 142 Ca 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 53.44 53.01 1y4b n ALA 142 Cb 0.21 -0.88 0.57 0.00 0.00 0.00 0.00 19.45 19.35 1y4b n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1y4b h HIS 143 N 0.67 0.00 -0.38 0.00 2.07 -1.18 -1.96 115.15 114.37 1y4b h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1y4b h HIS 143 Cb 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 1y4b h HIS 143 CO 0.00 0.18 0.00 1.63 -3.07 0.00 0.00 177.93 176.67 1y4b n LYS 144 N -3.46 2.10 -2.59 5.12 4.76 -1.26 -4.92 118.16 117.92 1y4b n LYS 144 Ca -0.01 -1.46 -0.38 0.00 -2.87 0.00 0.00 58.31 53.59 1y4b n LYS 144 Cb 0.36 -1.41 -0.05 0.00 -1.84 0.00 0.00 35.03 32.09 1y4b n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y4b s TYR 145 N -1.55 3.54 0.00 2.13 1.51 -0.74 -4.73 117.35 117.51 1y4b s TYR 145 Ca 0.27 1.72 0.00 0.00 -1.01 0.00 0.00 57.07 58.05 1y4b s TYR 145 Cb 0.15 -3.13 0.00 0.00 -0.11 0.00 0.00 41.96 38.87 1y4b s TYR 145 CO 0.16 -0.32 0.00 -2.39 -1.11 0.00 0.00 175.55 171.89