#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yzi s HIS 2 N 0.00 3.22 -0.06 6.34 3.76 -1.26 -4.83 115.29 122.45 1yzi s HIS 2 Ca 0.00 -0.76 -0.03 0.00 -0.15 0.00 0.00 55.06 54.12 1yzi s HIS 2 Cb 0.00 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 1yzi s HIS 2 CO 0.00 -0.76 0.10 -0.51 -0.85 0.00 0.00 174.74 172.72 1yzi s LEU 3 N 1.79 4.07 0.97 0.89 1.02 -1.26 -5.09 118.68 121.07 1yzi s LEU 3 Ca 0.06 0.29 -0.12 0.00 0.02 0.00 0.00 54.13 54.38 1yzi s LEU 3 Cb -0.22 -2.15 0.17 0.00 0.02 0.00 0.00 46.19 44.02 1yzi s LEU 3 CO 0.09 0.34 1.10 0.42 0.02 0.00 0.00 176.35 178.32 1yzi s THR 4 N -1.08 2.15 0.22 5.49 -4.23 -1.26 -4.69 115.64 112.23 1yzi s THR 4 Ca 0.19 0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.66 1yzi s THR 4 Cb -0.12 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.32 1yzi s THR 4 CO 0.08 -0.06 1.85 -0.65 -0.54 0.00 0.00 174.62 175.30 1yzi h PRO 5 N -1.78 1.15 0.00 3.99 0.11 -1.99 0.16 132.00 133.63 1yzi h PRO 5 Ca -0.53 -0.12 -0.11 0.00 0.11 0.00 0.00 66.00 65.34 1yzi h PRO 5 Cb 1.32 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1yzi h PRO 5 CO 0.58 0.83 -0.53 1.05 -0.21 0.00 0.00 178.00 179.72 1yzi h GLU 6 N 1.15 0.00 0.29 1.05 9.09 -1.98 0.22 114.58 124.39 1yzi h GLU 6 Ca 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.69 1yzi h GLU 6 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 1yzi h GLU 6 CO -0.05 0.53 -0.14 0.93 0.05 0.00 0.00 179.01 180.33 1yzi h GLU 7 N 0.00 -0.37 -0.95 1.06 5.08 -1.81 0.47 114.58 118.06 1yzi h GLU 7 Ca -0.01 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.61 1yzi h GLU 7 Cb 0.97 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 30.18 1yzi h GLU 7 CO 0.07 -0.07 0.49 -0.22 -1.00 0.00 0.00 179.01 178.28 1yzi h LYS 8 N -0.99 0.47 -0.02 2.33 3.11 -1.01 0.15 116.57 120.61 1yzi h LYS 8 Ca -0.04 -0.03 -0.24 0.00 -2.81 0.00 0.00 60.65 57.53 1yzi h LYS 8 Cb 0.47 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 31.61 1yzi h LYS 8 CO 0.06 0.31 -0.96 1.03 -2.81 0.00 0.00 179.45 177.09 1yzi h SER 9 N 0.49 0.76 -0.67 4.20 0.87 -0.93 -2.97 113.55 115.29 1yzi h SER 9 Ca 0.60 -0.59 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1yzi h SER 9 Cb 1.14 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 1yzi h SER 9 CO -0.50 1.39 0.22 0.00 -0.53 0.00 0.00 176.83 177.40 1yzi h ALA 10 N 0.57 1.08 0.47 6.23 0.00 0.14 -1.51 119.26 126.25 1yzi h ALA 10 Ca -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1yzi h ALA 10 Cb 1.60 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1yzi h ALA 10 CO 0.18 0.63 -0.23 0.28 0.00 0.00 0.00 179.25 180.11 1yzi h VAL 11 N 1.02 0.54 -0.36 0.00 2.07 -0.84 -1.49 116.25 117.19 1yzi h VAL 11 Ca 0.23 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.77 1yzi h VAL 11 Cb 0.28 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1yzi h VAL 11 CO -0.01 0.01 -0.06 0.74 0.02 0.00 0.00 177.57 178.27 1yzi h THR 12 N -0.66 0.67 0.18 2.57 2.02 -1.46 0.37 112.91 116.60 1yzi h THR 12 Ca -0.06 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1yzi h THR 12 Cb 0.50 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1yzi h THR 12 CO 0.11 0.01 -0.23 0.00 0.37 0.00 0.00 175.52 175.78 1yzi h ALA 13 N 1.34 -0.43 -0.47 6.16 0.00 -1.13 -0.90 119.26 123.84 1yzi h ALA 13 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1yzi h ALA 13 Cb 0.26 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1yzi h ALA 13 CO -0.34 -0.78 0.28 -0.07 0.00 0.00 0.00 179.25 178.34 1yzi h LEU 14 N -0.46 0.56 -1.34 0.00 3.38 -1.05 -2.76 115.31 113.65 1yzi h LEU 14 Ca 0.01 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1yzi h LEU 14 Cb 0.45 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1yzi h LEU 14 CO -0.09 0.46 0.48 -0.25 0.09 0.00 0.00 178.44 179.13 1yzi h TRP 15 N 0.62 0.82 -0.06 1.13 2.91 -0.62 0.11 115.95 120.86 1yzi h TRP 15 Ca 0.17 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.22 1yzi h TRP 15 Cb 0.00 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.37 1yzi h TRP 15 CO -0.03 0.46 0.08 0.78 -1.03 0.00 0.00 178.44 178.70 1yzi h GLY 16 N 0.84 0.00 -2.06 2.65 0.00 -0.86 -1.37 103.07 102.26 1yzi h GLY 16 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1yzi h GLY 16 CO -0.09 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.73 1yzi n LYS 17 N -3.71 2.36 -2.74 4.80 5.02 0.36 -4.95 118.16 119.30 1yzi n LYS 17 Ca -0.01 -2.08 -0.41 0.00 -2.02 0.00 0.00 58.31 53.78 1yzi n LYS 17 Cb 0.17 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 1yzi n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yzi s VAL 18 N -1.41 4.70 -0.86 -0.18 1.01 -0.52 -4.97 120.40 118.17 1yzi s VAL 18 Ca 0.39 2.02 -0.25 0.00 0.00 0.00 0.00 61.98 64.14 1yzi s VAL 18 Cb 0.21 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1yzi s VAL 18 CO 0.29 0.25 1.48 0.21 0.00 0.00 0.00 175.10 177.33 1yzi s ASN 19 N 0.48 6.09 0.61 3.32 3.84 -1.26 -4.84 114.94 123.19 1yzi s ASN 19 Ca 0.48 -0.80 0.31 0.00 0.21 0.00 0.00 52.86 53.07 1yzi s ASN 19 Cb -0.22 -2.56 1.73 0.00 -0.55 0.00 0.00 41.25 39.65 1yzi s ASN 19 CO 0.28 -1.86 2.08 -0.37 -2.79 0.00 0.00 177.10 174.44 1yzi h VAL 20 N 6.56 0.32 -0.00 -5.21 -1.51 -1.94 0.49 116.25 114.97 1yzi h VAL 20 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1yzi h VAL 20 Cb 1.04 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1yzi h VAL 20 CO 1.33 0.00 -0.26 0.47 -1.23 0.00 0.00 177.57 177.88 1yzi n ASP 21 N -3.55 0.38 -0.02 4.19 10.43 -1.26 -4.49 116.55 122.23 1yzi n ASP 21 Ca 0.01 -0.13 -0.04 0.00 2.57 0.00 0.00 54.79 57.19 1yzi n ASP 21 Cb 0.34 -0.05 -0.01 0.00 1.84 0.00 0.00 41.12 43.24 1yzi n ASP 21 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1yzi n GLU 22 N -1.33 0.08 -0.32 -1.24 -0.58 0.04 -4.73 120.64 112.56 1yzi n GLU 22 Ca 0.08 0.04 0.15 0.00 -0.42 0.00 0.00 57.16 57.01 1yzi n GLU 22 Cb 0.33 -0.64 0.38 0.00 -0.57 0.00 0.00 31.44 30.93 1yzi n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1yzi h VAL 23 N -0.14 0.70 -0.41 2.62 2.07 -1.45 -1.41 116.25 118.24 1yzi h VAL 23 Ca -0.10 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 1yzi h VAL 23 Cb 1.03 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1yzi h VAL 23 CO -0.06 0.12 -0.30 1.23 0.02 0.00 0.00 177.57 178.59 1yzi h GLY 24 N 0.67 1.00 2.00 2.17 0.00 -1.79 -0.93 103.07 106.19 1yzi h GLY 24 Ca 0.55 -0.96 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1yzi h GLY 24 CO -0.31 0.87 -0.37 -1.33 0.00 0.00 0.00 176.54 175.40 1yzi h GLY 25 N 0.74 0.00 1.06 4.60 0.00 -1.56 -1.78 103.07 106.13 1yzi h GLY 25 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.23 1yzi h GLY 25 CO 0.08 0.00 -0.56 -2.09 0.00 0.00 0.00 176.54 173.97 1yzi h GLU 26 N 0.00 0.74 -0.68 4.80 4.81 -0.87 -1.05 114.58 122.34 1yzi h GLU 26 Ca -0.00 -0.52 -0.05 0.00 -0.13 0.00 0.00 59.36 58.66 1yzi h GLU 26 Cb 0.76 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1yzi h GLU 26 CO 0.05 1.14 0.24 0.00 -0.73 0.00 0.00 179.01 179.72 1yzi h ALA 27 N 0.59 0.88 0.16 2.92 0.00 -0.96 -0.24 119.26 122.62 1yzi h ALA 27 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1yzi h ALA 27 Cb 1.18 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1yzi h ALA 27 CO 0.12 0.53 -0.08 1.25 0.00 0.00 0.00 179.25 181.07 1yzi h LEU 28 N 0.97 -0.19 -0.53 0.00 6.46 -1.30 -0.98 115.31 119.75 1yzi h LEU 28 Ca 0.22 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1yzi h LEU 28 Cb 0.25 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 1yzi h LEU 28 CO -0.01 0.01 0.34 1.23 -0.62 0.00 0.00 178.44 179.38 1yzi h GLY 29 N -0.37 0.74 1.43 3.75 0.00 -1.12 -0.68 103.07 106.83 1yzi h GLY 29 Ca -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1yzi h GLY 29 CO 0.04 0.25 0.29 3.21 0.00 0.00 0.00 176.54 180.33 1yzi h ARG 30 N 0.69 0.74 -0.08 4.80 3.08 -0.91 0.79 114.38 123.48 1yzi h ARG 30 Ca 0.20 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1yzi h ARG 30 Cb -0.05 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 1yzi h ARG 30 CO -0.06 0.55 0.03 1.25 -1.07 0.00 0.00 179.97 180.68 1yzi h LEU 31 N 0.75 0.12 -1.42 3.04 5.85 -0.48 0.34 115.31 123.52 1yzi h LEU 31 Ca 0.19 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1yzi h LEU 31 Cb 0.03 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1yzi h LEU 31 CO -0.03 0.26 0.08 -0.07 -0.34 0.00 0.00 178.44 178.34 1yzi h LEU 32 N -0.03 0.42 0.14 2.25 3.38 -0.50 0.34 115.31 121.31 1yzi h LEU 32 Ca 0.03 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 1yzi h LEU 32 Cb 0.18 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.85 1yzi h LEU 32 CO -0.00 0.43 -0.93 0.58 0.09 0.00 0.00 178.44 178.61 1yzi h VAL 33 N 0.46 1.44 0.03 1.22 2.07 -0.58 -3.23 116.25 117.66 1yzi h VAL 33 Ca 0.11 -2.48 -0.22 0.00 0.82 0.00 0.00 66.70 64.93 1yzi h VAL 33 Cb 0.18 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 1yzi h VAL 33 CO -0.00 0.72 -0.99 0.58 0.02 0.00 0.00 177.57 177.89 1yzi h VAL 34 N -0.18 1.58 -2.70 2.57 2.07 -0.13 -3.36 116.25 116.11 1yzi h VAL 34 Ca -0.15 -3.02 -0.61 0.00 0.82 0.00 0.00 66.70 63.74 1yzi h VAL 34 Cb 1.70 2.71 -0.41 0.00 -1.52 0.00 0.00 31.29 33.77 1yzi h VAL 34 CO 0.18 0.87 -0.70 -1.22 0.02 0.00 0.00 177.57 176.72 1yzi n TYR 35 N -3.51 2.16 0.21 1.57 4.01 0.09 -4.98 117.16 116.71 1yzi n TYR 35 Ca -0.03 -4.01 0.08 0.00 -0.16 0.00 0.00 57.90 53.78 1yzi n TYR 35 Cb 0.90 -0.40 0.44 0.00 -0.31 0.00 0.00 39.34 39.97 1yzi n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1yzi h PRO 36 N 5.13 0.00 0.00 -0.72 0.11 -1.71 -0.38 132.00 134.44 1yzi h PRO 36 Ca 0.18 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 1yzi h PRO 36 Cb 0.78 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1yzi h PRO 36 CO 0.64 0.00 -0.27 0.11 -0.21 0.00 0.00 178.00 178.27 1yzi h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -2.57 115.95 112.21 1yzi h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1yzi h TRP 37 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.96 1yzi h TRP 37 CO 0.00 0.27 0.00 1.79 0.09 0.00 0.00 178.44 180.59 1yzi h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.38 -2.29 112.91 110.71 1yzi h THR 38 Ca -0.00 -0.18 -0.03 0.00 -0.55 0.00 0.00 66.41 65.65 1yzi h THR 38 Cb 0.96 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1yzi h THR 38 CO 0.04 0.00 -0.13 1.56 -0.25 0.00 0.00 175.52 176.74 1yzi h GLN 39 N 0.00 0.00 -0.73 4.72 4.20 -1.65 -1.97 115.11 119.68 1yzi h GLN 39 Ca 0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 1yzi h GLN 39 Cb 0.21 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 1yzi h GLN 39 CO 0.00 0.13 0.51 0.00 -0.67 0.00 0.00 178.83 178.80 1yzi h ARG 40 N 0.00 0.17 0.00 1.46 3.08 -1.61 0.16 114.38 117.64 1yzi h ARG 40 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1yzi h ARG 40 Cb 0.23 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1yzi h ARG 40 CO 0.02 0.11 0.00 1.19 -1.07 0.00 0.00 179.97 180.22 1yzi n PHE 41 N -4.40 0.47 -2.52 3.04 3.01 -0.74 -3.57 117.46 112.75 1yzi n PHE 41 Ca 0.15 0.17 -0.15 0.00 1.01 0.00 0.00 57.45 58.62 1yzi n PHE 41 Cb 0.69 -0.77 0.02 0.00 -0.01 0.00 0.00 39.48 39.41 1yzi n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1yzi n PHE 42 N -1.91 2.15 -0.26 1.38 3.01 0.54 -4.87 117.46 117.50 1yzi n PHE 42 Ca 0.04 -2.64 0.00 0.00 1.01 0.00 0.00 57.45 55.86 1yzi n PHE 42 Cb 0.26 -0.25 0.12 0.00 -0.01 0.00 0.00 39.48 39.60 1yzi n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1yzi h GLU 43 N 2.64 0.71 -0.25 -1.08 5.08 -1.60 -0.77 114.58 119.31 1yzi h GLU 43 Ca 0.10 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1yzi h GLU 43 Cb 1.19 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1yzi h GLU 43 CO 0.59 0.47 0.63 0.66 -1.00 0.00 0.00 179.01 180.36 1yzi h SER 44 N 0.73 0.00 0.92 1.42 4.64 -1.92 0.44 113.55 119.78 1yzi h SER 44 Ca 0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 1yzi h SER 44 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1yzi h SER 44 CO -0.21 0.00 -0.05 -0.26 -0.87 0.00 0.00 176.83 175.44 1yzi h PHE 45 N 0.00 0.00 0.00 4.77 0.05 -1.53 -3.49 116.94 116.73 1yzi h PHE 45 Ca 0.12 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.91 1yzi h PHE 45 Cb 1.38 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.33 1yzi h PHE 45 CO 0.00 0.05 0.00 0.41 -0.18 0.00 0.00 178.31 178.59 1yzi n GLY 46 N -0.04 -1.18 3.63 -1.45 0.00 0.14 -4.93 105.19 101.36 1yzi n GLY 46 Ca 0.00 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1yzi n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yzi s ASP 47 N -4.00 6.21 -0.21 1.61 3.68 -1.26 -4.84 116.67 117.86 1yzi s ASP 47 Ca 0.00 1.96 0.12 0.00 2.13 0.00 0.00 52.55 56.76 1yzi s ASP 47 Cb 0.00 -2.53 0.43 0.00 -1.45 0.00 0.00 42.92 39.37 1yzi s ASP 47 CO 0.00 -1.34 1.29 0.18 0.13 0.00 0.00 175.17 175.43 1yzi n LEU 48 N 8.86 3.14 -0.15 -1.34 4.77 -1.26 -4.61 117.00 126.40 1yzi n LEU 48 Ca 0.21 -3.64 0.15 0.00 -0.03 0.00 0.00 56.01 52.71 1yzi n LEU 48 Cb 0.44 -0.54 0.72 0.00 -2.33 0.00 0.00 43.42 41.71 1yzi n LEU 48 CO 0.66 1.17 0.96 -1.54 -1.33 0.00 0.00 177.39 177.31 1yzi n SER 49 N -1.13 0.50 -4.16 -1.43 3.41 -1.26 -4.76 113.62 104.78 1yzi n SER 49 Ca 0.23 -0.90 -0.15 0.00 -0.26 0.00 0.00 58.87 57.79 1yzi n SER 49 Cb 0.79 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.59 1yzi n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1yzi s THR 50 N -2.21 0.92 0.14 6.66 -4.23 -1.26 -5.05 115.64 110.60 1yzi s THR 50 Ca 0.37 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 59.18 1yzi s THR 50 Cb 0.21 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.80 1yzi s THR 50 CO 0.41 -0.51 1.74 -0.65 -0.54 0.00 0.00 174.62 175.07 1yzi h PRO 51 N 3.73 0.58 -0.67 3.99 0.11 -1.98 -2.14 132.00 135.62 1yzi h PRO 51 Ca -0.38 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1yzi h PRO 51 Cb 1.19 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1yzi h PRO 51 CO 0.50 0.48 0.42 -0.44 -0.21 0.00 0.00 178.00 178.76 1yzi h ASP 52 N 0.53 0.79 0.05 -2.05 3.32 -1.98 0.52 116.42 117.60 1yzi h ASP 52 Ca 0.14 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1yzi h ASP 52 Cb 0.08 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1yzi h ASP 52 CO -0.02 0.60 -0.08 0.00 -1.72 0.00 0.00 179.24 178.02 1yzi h ALA 53 N 1.22 1.75 0.02 3.45 0.00 -1.83 -2.11 119.26 121.76 1yzi h ALA 53 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1yzi h ALA 53 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1yzi h ALA 53 CO -0.05 0.19 -0.01 0.28 0.00 0.00 0.00 179.25 179.66 1yzi h VAL 54 N 0.09 1.52 -0.47 0.00 2.07 -0.54 -2.85 116.25 116.07 1yzi h VAL 54 Ca 0.02 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.67 1yzi h VAL 54 Cb 0.21 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1yzi h VAL 54 CO 0.01 0.46 0.18 0.24 0.02 0.00 0.00 177.57 178.48 1yzi h MET 55 N -0.85 0.68 -0.01 1.57 2.07 0.11 -2.70 114.93 115.80 1yzi h MET 55 Ca -0.00 -0.10 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 1yzi h MET 55 Cb 0.77 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 30.38 1yzi h MET 55 CO 0.00 0.57 -0.39 0.41 1.07 0.00 0.00 176.91 178.57 1yzi n GLY 56 N -1.11 -0.52 3.64 8.32 0.00 -0.80 -4.76 105.19 109.96 1yzi n GLY 56 Ca 0.04 -0.48 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 1yzi n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yzi n ASN 57 N -0.61 3.57 -0.28 1.61 2.85 -1.02 -4.85 115.26 116.53 1yzi n ASN 57 Ca 0.10 0.76 0.09 0.00 -0.11 0.00 0.00 54.58 55.43 1yzi n ASN 57 Cb 0.38 -1.45 0.24 0.00 1.24 0.00 0.00 39.78 40.19 1yzi n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1yzi h PRO 58 N 11.05 0.27 -0.13 1.20 0.11 -1.91 0.24 132.00 142.83 1yzi h PRO 58 Ca -0.46 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1yzi h PRO 58 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1yzi h PRO 58 CO 0.95 0.18 -0.22 0.87 -0.21 0.00 0.00 178.00 179.57 1yzi h LYS 59 N 0.28 0.22 -0.21 1.05 1.79 -1.92 0.22 116.57 118.00 1yzi h LYS 59 Ca 0.49 -0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.79 1yzi h LYS 59 Cb 0.90 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1yzi h LYS 59 CO -0.57 0.44 -0.26 0.28 -1.08 0.00 0.00 179.45 178.27 1yzi h VAL 60 N 0.21 1.33 0.29 0.50 2.07 -0.86 0.72 116.25 120.50 1yzi h VAL 60 Ca 0.04 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1yzi h VAL 60 Cb 0.50 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1yzi h VAL 60 CO 0.03 0.44 -0.14 0.50 0.02 0.00 0.00 177.57 178.43 1yzi h LYS 61 N 0.21 -0.37 -0.06 1.57 3.64 -1.09 0.13 116.57 120.61 1yzi h LYS 61 Ca 0.03 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1yzi h LYS 61 Cb 0.82 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 1yzi h LYS 61 CO 0.06 -0.18 -0.11 0.00 -2.27 0.00 0.00 179.45 176.96 1yzi h ALA 62 N 0.19 -0.07 -0.10 5.00 0.00 -0.54 -1.75 119.26 121.99 1yzi h ALA 62 Ca -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1yzi h ALA 62 Cb 0.37 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1yzi h ALA 62 CO 0.07 -0.58 -0.19 1.25 0.00 0.00 0.00 179.25 179.80 1yzi h HIS 63 N -0.15 0.18 0.00 0.00 -0.00 -0.74 -2.01 115.15 112.43 1yzi h HIS 63 Ca 0.06 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.34 1yzi h HIS 63 Cb 0.24 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1yzi h HIS 63 CO -0.20 0.36 -0.34 0.78 -0.00 0.00 0.00 177.93 178.52 1yzi h GLY 64 N 0.78 0.00 1.38 5.26 0.00 -0.30 -1.99 103.07 108.20 1yzi h GLY 64 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1yzi h GLY 64 CO 0.03 0.00 0.04 1.70 0.00 0.00 0.00 176.54 178.31 1yzi h LYS 65 N 0.00 0.76 -0.00 4.80 3.64 -0.56 -0.63 116.57 124.58 1yzi h LYS 65 Ca -0.00 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 1yzi h LYS 65 Cb 0.70 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1yzi h LYS 65 CO 0.04 0.74 -0.55 0.87 -2.27 0.00 0.00 179.45 178.29 1yzi h LYS 66 N 0.72 0.01 0.06 1.90 1.57 -1.27 -1.88 116.57 117.68 1yzi h LYS 66 Ca 0.15 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1yzi h LYS 66 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1yzi h LYS 66 CO 0.01 0.56 -0.03 0.28 -0.57 0.00 0.00 179.45 179.70 1yzi h VAL 67 N 0.01 1.25 -0.85 0.50 2.07 -1.01 -1.84 116.25 116.38 1yzi h VAL 67 Ca -0.01 -1.24 0.14 0.00 0.82 0.00 0.00 66.70 66.41 1yzi h VAL 67 Cb 0.98 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 32.73 1yzi h VAL 67 CO 0.07 0.30 0.55 0.25 0.02 0.00 0.00 177.57 178.77 1yzi h LEU 68 N -0.66 0.60 -0.42 2.57 7.12 -1.12 0.29 115.31 123.69 1yzi h LEU 68 Ca -0.01 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1yzi h LEU 68 Cb 0.56 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 1yzi h LEU 68 CO 0.01 0.32 0.25 1.23 -0.13 0.00 0.00 178.44 180.12 1yzi h GLY 69 N 0.64 0.62 1.15 3.75 0.00 -1.15 -0.84 103.07 107.25 1yzi h GLY 69 Ca 0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1yzi h GLY 69 CO -0.18 0.26 0.33 0.00 0.00 0.00 0.00 176.54 176.96 1yzi h ALA 70 N 1.10 1.17 -0.20 3.60 0.00 0.36 -2.19 119.26 123.11 1yzi h ALA 70 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1yzi h ALA 70 Cb 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1yzi h ALA 70 CO -0.03 0.61 0.06 0.74 0.00 0.00 0.00 179.25 180.63 1yzi h PHE 71 N 1.07 0.33 -0.59 0.00 -1.00 -0.58 -2.62 116.94 113.55 1yzi h PHE 71 Ca 0.26 -0.04 0.11 0.00 2.81 0.00 0.00 57.97 61.11 1yzi h PHE 71 Cb 0.15 -0.09 -0.09 0.00 3.61 0.00 0.00 35.95 39.53 1yzi h PHE 71 CO 0.01 0.42 0.10 0.77 -1.61 0.00 0.00 178.31 178.00 1yzi h SER 72 N 0.14 -0.06 0.21 2.17 0.02 -0.75 0.99 113.55 116.28 1yzi h SER 72 Ca 0.06 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1yzi h SER 72 Cb 0.25 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1yzi h SER 72 CO -0.00 -0.02 0.00 0.44 -1.14 0.00 0.00 176.83 176.11 1yzi h ASP 73 N 0.22 0.00 0.44 3.07 3.45 -1.30 -0.19 116.42 122.12 1yzi h ASP 73 Ca 0.31 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.46 1yzi h ASP 73 Cb 0.47 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 1yzi h ASP 73 CO -0.42 0.00 -1.49 1.23 -1.57 0.00 0.00 179.24 176.99 1yzi h GLY 74 N 0.44 0.34 2.00 2.75 0.00 0.13 -3.10 103.07 105.63 1yzi h GLY 74 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1yzi h GLY 74 CO 0.00 0.77 0.00 1.41 0.00 0.00 0.00 176.54 178.72 1yzi h LEU 75 N 0.08 0.00 0.00 3.11 4.07 0.73 -1.78 115.31 121.51 1yzi h LEU 75 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1yzi h LEU 75 Cb 2.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.77 1yzi h LEU 75 CO 0.18 0.00 -1.17 0.00 -1.08 0.00 0.00 178.44 176.37 1yzi n ALA 76 N -1.99 2.72 -2.70 1.53 0.00 -0.63 -4.35 120.51 115.09 1yzi n ALA 76 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 53.44 52.95 1yzi n ALA 76 Cb 0.24 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1yzi n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yzi n HIS 77 N -2.47 2.06 0.20 0.00 8.25 -0.86 -4.88 115.22 117.52 1yzi n HIS 77 Ca -0.00 -3.17 0.14 0.00 -0.26 0.00 0.00 57.72 54.43 1yzi n HIS 77 Cb 0.53 -0.30 0.72 0.00 1.12 0.00 0.00 29.99 32.06 1yzi n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1yzi h LEU 78 N 2.86 0.00 0.00 2.41 3.38 -1.54 0.14 115.31 122.56 1yzi h LEU 78 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yzi h LEU 78 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1yzi h LEU 78 CO 0.65 0.00 -1.06 0.47 0.09 0.00 0.00 178.44 178.59 1yzi n ASP 79 N -2.44 0.65 -3.13 -0.43 10.43 -1.26 -2.88 116.55 117.49 1yzi n ASP 79 Ca -0.02 0.07 -0.22 0.00 2.57 0.00 0.00 54.79 57.19 1yzi n ASP 79 Cb 0.06 0.69 -0.04 0.00 1.84 0.00 0.00 41.12 43.67 1yzi n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1yzi n ASN 80 N -2.29 2.14 -0.06 -2.24 5.15 0.50 -4.82 115.26 113.64 1yzi n ASN 80 Ca 0.01 -3.22 -0.12 0.00 -0.60 0.00 0.00 54.58 50.64 1yzi n ASN 80 Cb 0.49 -0.61 -0.06 0.00 -0.53 0.00 0.00 39.78 39.07 1yzi n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yzi h LEU 81 N 3.20 0.32 -1.12 1.20 3.38 -1.75 -1.45 115.31 119.09 1yzi h LEU 81 Ca 0.11 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1yzi h LEU 81 Cb 0.79 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1yzi h LEU 81 CO 0.62 0.63 0.13 1.17 0.09 0.00 0.00 178.44 181.09 1yzi n LYS 82 N -4.66 0.11 0.00 1.13 4.81 -1.26 -2.18 118.16 116.11 1yzi n LYS 82 Ca -0.05 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1yzi n LYS 82 Cb 0.28 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1yzi n LYS 82 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yzi n GLY 83 N -1.29 1.05 0.40 3.14 0.00 -0.55 -2.76 105.19 105.18 1yzi n GLY 83 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.19 1yzi n GLY 83 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1yzi h THR 84 N 0.00 0.15 -0.51 2.61 1.35 -1.58 0.34 112.91 115.27 1yzi h THR 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1yzi h THR 84 Cb 0.00 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 1yzi h THR 84 CO 0.00 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.76 1yzi n PHE 85 N -3.26 0.68 -0.13 4.73 3.01 -0.92 -4.26 117.46 117.30 1yzi n PHE 85 Ca 0.08 -0.34 -0.10 0.00 1.01 0.00 0.00 57.45 58.10 1yzi n PHE 85 Cb 0.82 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.27 1yzi n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yzi h ALA 86 N 4.28 0.51 0.56 4.37 0.00 -0.12 -1.92 119.26 126.95 1yzi h ALA 86 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1yzi h ALA 86 Cb 0.87 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1yzi h ALA 86 CO 0.00 0.25 -0.27 1.15 0.00 0.00 0.00 179.25 180.38 1yzi h THR 87 N 0.49 0.40 0.00 0.00 2.02 -1.77 -2.95 112.91 111.10 1yzi h THR 87 Ca 0.11 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1yzi h THR 87 Cb 0.41 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1yzi h THR 87 CO 0.01 0.03 -0.00 -0.07 0.37 0.00 0.00 175.52 175.86 1yzi h LEU 88 N -0.89 0.00 -0.34 2.58 -0.00 -1.79 -2.31 115.31 112.56 1yzi h LEU 88 Ca -0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.61 1yzi h LEU 88 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1yzi h LEU 88 CO 0.13 0.00 -0.72 -1.28 -0.00 0.00 0.00 178.44 176.57 1yzi h SER 89 N 0.00 0.64 -0.27 -0.43 0.87 -1.17 -1.27 113.55 111.92 1yzi h SER 89 Ca -0.00 -0.41 -0.13 0.00 -1.23 0.00 0.00 61.79 60.02 1yzi h SER 89 Cb 0.02 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1yzi h SER 89 CO 0.00 1.17 -0.35 -0.08 -0.53 0.00 0.00 176.83 177.04 1yzi h GLU 90 N 0.38 0.71 -0.54 2.24 4.81 -1.34 0.64 114.58 121.47 1yzi h GLU 90 Ca -0.03 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1yzi h GLU 90 Cb 1.31 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1yzi h GLU 90 CO 0.13 1.02 0.23 1.25 -0.73 0.00 0.00 179.01 180.92 1yzi h LEU 91 N 0.44 0.74 0.04 1.64 5.85 -1.48 -1.12 115.31 121.42 1yzi h LEU 91 Ca 0.03 -0.16 -0.24 0.00 0.84 0.00 0.00 57.88 58.36 1yzi h LEU 91 Cb 0.93 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1yzi h LEU 91 CO 0.08 0.69 -1.13 0.45 -0.34 0.00 0.00 178.44 178.19 1yzi h HIS 92 N 0.74 0.16 0.00 1.25 3.86 -1.17 -1.09 115.15 118.89 1yzi h HIS 92 Ca 0.18 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1yzi h HIS 92 Cb 0.17 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1yzi h HIS 92 CO 0.00 1.10 -0.71 0.00 0.86 0.00 0.00 177.93 179.18 1yzi h ASP 94 N -0.90 0.15 0.00 0.00 3.45 -1.36 -2.83 116.42 114.94 1yzi h ASP 94 Ca 0.00 -0.06 -0.33 0.00 0.43 0.00 0.00 57.03 57.06 1yzi h ASP 94 Cb 0.71 -0.04 -0.05 0.00 -0.56 0.00 0.00 39.33 39.38 1yzi h ASP 94 CO 0.00 0.55 -2.10 1.17 -1.57 0.00 0.00 179.24 177.29 1yzi n LYS 95 N -4.04 0.55 0.13 3.56 4.81 -0.67 -4.71 118.16 117.80 1yzi n LYS 95 Ca -0.02 0.24 0.06 0.00 -0.87 0.00 0.00 58.31 57.73 1yzi n LYS 95 Cb 0.46 -1.44 0.04 0.00 0.02 0.00 0.00 35.03 34.11 1yzi n LYS 95 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yzi h LEU 96 N -0.97 0.00 -1.79 3.14 3.38 -1.30 -3.49 115.31 114.29 1yzi h LEU 96 Ca -0.50 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.06 1yzi h LEU 96 Cb 1.43 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.25 1yzi h LEU 96 CO -0.31 0.28 -0.83 1.41 0.09 0.00 0.00 178.44 179.09 1yzi n HIS 97 N -3.02 -1.94 -2.97 1.13 8.25 -0.79 -4.95 115.22 110.94 1yzi n HIS 97 Ca -0.00 0.85 -0.41 0.00 -0.26 0.00 0.00 57.72 57.90 1yzi n HIS 97 Cb 0.66 -4.45 -0.05 0.00 1.12 0.00 0.00 29.99 27.28 1yzi n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yzi s VAL 98 N -3.64 4.94 0.33 1.59 1.01 -0.82 -5.02 120.40 118.79 1yzi s VAL 98 Ca 0.01 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.18 1yzi s VAL 98 Cb -0.00 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 1yzi s VAL 98 CO 0.80 0.08 1.42 -0.62 0.00 0.00 0.00 175.10 176.78 1yzi s ASP 99 N 1.13 6.56 0.54 3.32 2.15 -1.26 -4.85 116.67 124.26 1yzi s ASP 99 Ca 0.35 2.84 0.25 0.00 0.43 0.00 0.00 52.55 56.43 1yzi s ASP 99 Cb -0.16 -2.65 1.42 0.00 -0.30 0.00 0.00 42.92 41.22 1yzi s ASP 99 CO 0.12 -0.72 2.01 -0.65 -0.17 0.00 0.00 175.17 175.76 1yzi h PRO 100 N 3.65 0.00 -0.11 4.34 0.11 -1.96 -0.10 132.00 137.92 1yzi h PRO 100 Ca -0.49 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1yzi h PRO 100 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yzi h PRO 100 CO 0.68 0.00 0.08 1.49 -0.21 0.00 0.00 178.00 180.04 1yzi h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.99 0.13 114.58 118.33 1yzi h GLU 101 Ca 0.23 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.29 1yzi h GLU 101 Cb 0.94 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 1yzi h GLU 101 CO -0.00 0.00 -0.54 -0.91 -1.18 0.00 0.00 179.01 176.38 1yzi h ASN 102 N 0.00 0.00 -0.43 1.04 2.35 -1.37 -1.96 115.58 115.21 1yzi h ASN 102 Ca 0.05 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 1yzi h ASN 102 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1yzi h ASN 102 CO -0.00 0.54 -0.28 -0.26 -1.65 0.00 0.00 177.43 175.78 1yzi h PHE 103 N 0.00 1.13 -0.31 1.19 0.04 -0.83 -2.25 116.94 115.92 1yzi h PHE 103 Ca -0.01 -0.30 0.02 0.00 2.80 0.00 0.00 57.97 60.48 1yzi h PHE 103 Cb 1.10 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1yzi h PHE 103 CO 0.00 1.13 0.17 -0.09 -0.60 0.00 0.00 178.31 178.91 1yzi h ARG 104 N 0.82 0.34 -0.12 1.51 2.43 -1.23 -0.31 114.38 117.82 1yzi h ARG 104 Ca 0.09 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1yzi h ARG 104 Cb 0.87 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 1yzi h ARG 104 CO 0.08 0.22 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.57 1yzi h LEU 105 N 0.35 -0.39 -0.63 3.80 4.07 -1.25 -0.12 115.31 121.13 1yzi h LEU 105 Ca 0.12 0.08 -0.10 0.00 0.08 0.00 0.00 57.88 58.06 1yzi h LEU 105 Cb 0.02 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 1yzi h LEU 105 CO -0.07 -0.17 0.01 0.25 -1.08 0.00 0.00 178.44 177.39 1yzi h LEU 106 N -0.15 1.06 -1.23 1.67 5.85 -1.19 -1.06 115.31 120.26 1yzi h LEU 106 Ca 0.09 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1yzi h LEU 106 Cb 0.28 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1yzi h LEU 106 CO -0.21 1.10 0.41 1.23 -0.34 0.00 0.00 178.44 180.63 1yzi h GLY 107 N 1.00 1.00 2.00 3.75 0.00 -0.58 -0.40 103.07 109.85 1yzi h GLY 107 Ca 0.18 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 1yzi h GLY 107 CO 0.03 0.40 -0.62 3.43 0.00 0.00 0.00 176.54 179.78 1yzi h ASN 108 N 0.95 0.00 -0.34 0.19 2.35 -0.72 -2.64 115.58 115.37 1yzi h ASN 108 Ca 0.25 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.86 1yzi h ASN 108 Cb -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1yzi h ASN 108 CO -0.05 0.62 -0.30 0.58 -1.65 0.00 0.00 177.43 176.63 1yzi h VAL 109 N 0.00 1.27 -0.54 2.81 2.07 -0.67 -1.73 116.25 119.45 1yzi h VAL 109 Ca -0.01 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.07 1yzi h VAL 109 Cb 1.33 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1yzi h VAL 109 CO 0.08 0.49 0.35 0.25 0.02 0.00 0.00 177.57 178.75 1yzi h LEU 110 N 0.73 0.59 -1.01 2.57 6.46 -0.98 -0.37 115.31 123.30 1yzi h LEU 110 Ca 0.08 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1yzi h LEU 110 Cb 0.85 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 1yzi h LEU 110 CO 0.08 0.42 0.50 0.58 -0.62 0.00 0.00 178.44 179.39 1yzi h VAL 111 N 0.70 1.24 -0.26 1.05 2.07 -1.29 0.10 116.25 119.87 1yzi h VAL 111 Ca 0.21 -0.57 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1yzi h VAL 111 Cb -0.04 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1yzi h VAL 111 CO -0.07 0.26 -0.25 0.00 0.02 0.00 0.00 177.57 177.54 1yzi h VAL 113 N 0.44 1.24 -0.84 0.00 2.07 -0.36 0.48 116.25 119.29 1yzi h VAL 113 Ca 0.06 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1yzi h VAL 113 Cb 0.67 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1yzi h VAL 113 CO 0.05 0.30 0.39 -0.07 0.02 0.00 0.00 177.57 178.26 1yzi h LEU 114 N 0.50 1.11 -0.63 2.57 3.38 -0.82 -0.02 115.31 121.41 1yzi h LEU 114 Ca 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1yzi h LEU 114 Cb 0.39 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1yzi h LEU 114 CO 0.01 0.95 0.26 0.00 0.09 0.00 0.00 178.44 179.75 1yzi h ALA 115 N 1.21 0.82 -0.12 1.53 0.00 -0.88 0.11 119.26 121.92 1yzi h ALA 115 Ca 0.29 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1yzi h ALA 115 Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1yzi h ALA 115 CO -0.03 0.42 -0.06 1.25 0.00 0.00 0.00 179.25 180.83 1yzi h HIS 116 N 0.88 -0.14 -0.16 0.00 -0.00 -0.23 -0.82 115.15 114.68 1yzi h HIS 116 Ca 0.21 0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.46 1yzi h HIS 116 Cb 0.19 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1yzi h HIS 116 CO 0.01 -0.09 -0.49 0.45 -0.00 0.00 0.00 177.93 177.80 1yzi h HIS 117 N -0.05 0.52 -0.01 5.26 -0.00 -0.62 -3.34 115.15 116.92 1yzi h HIS 117 Ca 0.07 -0.17 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 1yzi h HIS 117 Cb 0.15 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1yzi h HIS 117 CO -0.19 0.84 -0.60 1.19 -0.00 0.00 0.00 177.93 179.17 1yzi n PHE 118 N -3.97 0.00 -3.96 2.45 3.01 0.34 -5.04 117.46 110.28 1yzi n PHE 118 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1yzi n PHE 118 Cb 0.56 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 1yzi n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yzi n GLY 119 N 1.44 2.02 0.10 1.37 0.00 -0.33 -1.78 105.19 108.01 1yzi n GLY 119 Ca 0.08 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.71 1yzi n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yzi n LYS 120 N 8.67 0.07 0.23 1.61 4.81 -1.26 0.15 118.16 132.44 1yzi n LYS 120 Ca 0.00 0.53 0.15 0.00 -0.87 0.00 0.00 58.31 58.11 1yzi n LYS 120 Cb 0.00 -1.88 0.49 0.00 0.02 0.00 0.00 35.03 33.66 1yzi n LYS 120 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1yzi h GLU 121 N 0.00 0.00 -3.42 1.64 4.81 -1.74 -3.32 114.58 112.56 1yzi h GLU 121 Ca 0.00 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.47 1yzi h GLU 121 Cb 0.28 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.51 1yzi h GLU 121 CO 0.00 0.00 2.03 0.34 -0.73 0.00 0.00 179.01 180.65 1yzi n PHE 122 N -2.94 2.87 -0.97 0.92 7.35 0.12 -4.91 117.46 119.90 1yzi n PHE 122 Ca 0.02 -2.78 -0.30 0.00 -0.76 0.00 0.00 57.45 53.63 1yzi n PHE 122 Cb 0.37 -1.92 0.15 0.00 0.35 0.00 0.00 39.48 38.44 1yzi n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yzi s THR 123 N 0.19 2.53 0.23 -2.13 -4.23 -1.25 -4.64 115.64 106.34 1yzi s THR 123 Ca 0.40 0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 61.03 1yzi s THR 123 Cb 0.10 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.68 1yzi s THR 123 CO 0.00 -0.22 1.79 -0.65 -0.54 0.00 0.00 174.62 175.00 1yzi h PRO 124 N -1.73 0.66 -0.70 3.99 0.11 -1.93 0.49 132.00 132.90 1yzi h PRO 124 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1yzi h PRO 124 Cb 1.28 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1yzi h PRO 124 CO 0.50 0.44 0.40 -1.35 -0.21 0.00 0.00 178.00 177.78 1yzi h PRO 125 N 0.68 0.96 -0.56 1.05 0.11 -1.98 0.21 132.00 132.47 1yzi h PRO 125 Ca 0.37 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.34 1yzi h PRO 125 Cb 0.38 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1yzi h PRO 125 CO -0.26 0.70 0.18 0.28 -0.21 0.00 0.00 178.00 178.69 1yzi h VAL 126 N 0.95 1.23 -0.19 3.15 2.07 -1.71 -0.98 116.25 120.79 1yzi h VAL 126 Ca 0.25 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1yzi h VAL 126 Cb 0.00 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1yzi h VAL 126 CO -0.04 0.29 0.07 -0.61 0.02 0.00 0.00 177.57 177.30 1yzi h GLN 127 N 0.78 0.16 -0.97 1.57 4.15 -0.58 -1.61 115.11 118.60 1yzi h GLN 127 Ca 0.18 -0.01 0.18 0.00 0.77 0.00 0.00 58.65 59.77 1yzi h GLN 127 Cb 0.27 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 27.81 1yzi h GLN 127 CO -0.01 0.11 0.57 0.00 -1.93 0.00 0.00 178.83 177.57 1yzi h ALA 128 N 1.11 1.58 -0.09 3.38 0.00 -0.02 0.35 119.26 125.57 1yzi h ALA 128 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1yzi h ALA 128 Cb 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1yzi h ALA 128 CO -0.08 -0.06 0.02 0.00 0.00 0.00 0.00 179.25 179.14 1yzi h ALA 129 N 1.63 0.12 -0.07 0.00 0.00 -0.68 -2.85 119.26 117.41 1yzi h ALA 129 Ca 0.55 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1yzi h ALA 129 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1yzi h ALA 129 CO -0.38 -0.25 -0.29 1.88 0.00 0.00 0.00 179.25 180.21 1yzi h TYR 130 N -0.06 0.13 -0.17 0.00 0.05 -0.29 -1.98 116.97 114.65 1yzi h TYR 130 Ca 0.03 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1yzi h TYR 130 Cb 0.25 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1yzi h TYR 130 CO 0.01 0.40 -0.17 1.96 -1.05 0.00 0.00 178.16 179.31 1yzi h GLN 131 N 0.11 0.29 -0.25 4.88 1.08 -0.17 0.40 115.11 121.45 1yzi h GLN 131 Ca 0.02 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.06 1yzi h GLN 131 Cb 0.57 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1yzi h GLN 131 CO 0.04 0.46 -0.16 0.87 -0.95 0.00 0.00 178.83 179.09 1yzi h LYS 132 N 0.27 0.54 -0.36 1.46 1.57 -1.15 -1.37 116.57 117.53 1yzi h LYS 132 Ca 0.05 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1yzi h LYS 132 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1yzi h LYS 132 CO 0.03 0.82 -0.12 0.28 -0.57 0.00 0.00 179.45 179.90 1yzi h VAL 133 N 0.26 1.25 -0.35 0.50 2.07 -1.09 -2.23 116.25 116.66 1yzi h VAL 133 Ca 0.05 -1.09 -0.13 0.00 0.82 0.00 0.00 66.70 66.35 1yzi h VAL 133 Cb 0.68 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1yzi h VAL 133 CO 0.04 0.37 -0.29 0.58 0.02 0.00 0.00 177.57 178.29 1yzi h VAL 134 N 0.58 1.29 -0.03 2.57 2.07 -0.84 -1.79 116.25 120.10 1yzi h VAL 134 Ca 0.10 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 1yzi h VAL 134 Cb 0.54 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1yzi h VAL 134 CO 0.03 0.48 -0.36 0.00 0.02 0.00 0.00 177.57 177.74 1yzi h ALA 135 N 0.76 1.34 0.60 1.67 0.00 -1.09 -1.84 119.26 120.69 1yzi h ALA 135 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1yzi h ALA 135 Cb 0.86 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1yzi h ALA 135 CO 0.07 0.48 -0.29 0.78 0.00 0.00 0.00 179.25 180.30 1yzi h GLY 136 N 1.12 -0.84 -0.12 0.00 0.00 -1.19 -1.59 103.07 100.44 1yzi h GLY 136 Ca 0.00 0.31 0.13 0.00 0.00 0.00 0.00 47.33 47.78 1yzi h GLY 136 CO 0.05 -0.31 -0.03 -2.08 0.00 0.00 0.00 176.54 174.17 1yzi h VAL 137 N -1.06 0.45 -0.55 4.60 2.07 -1.17 0.73 116.25 121.32 1yzi h VAL 137 Ca -0.08 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1yzi h VAL 137 Cb 0.67 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1yzi h VAL 137 CO 0.14 0.02 0.33 0.00 0.02 0.00 0.00 177.57 178.07 1yzi h ALA 138 N 1.59 0.72 -0.43 1.67 0.00 -1.24 0.12 119.26 121.68 1yzi h ALA 138 Ca 0.32 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1yzi h ALA 138 Cb 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1yzi h ALA 138 CO -0.56 0.04 -0.17 -0.97 0.00 0.00 0.00 179.25 177.58 1yzi h ASN 139 N 0.65 0.83 -0.49 0.00 -1.24 -0.24 -1.83 115.58 113.25 1yzi h ASN 139 Ca 0.23 -0.28 -0.08 0.00 0.71 0.00 0.00 56.30 56.87 1yzi h ASN 139 Cb 0.04 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 1yzi h ASN 139 CO -0.11 1.00 -0.03 0.00 -1.29 0.00 0.00 177.43 177.00 1yzi h ALA 140 N 1.07 0.66 0.00 1.57 0.00 -0.44 -2.48 119.26 119.64 1yzi h ALA 140 Ca 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1yzi h ALA 140 Cb 0.69 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yzi h ALA 140 CO 0.05 0.49 -0.12 -0.07 0.00 0.00 0.00 179.25 179.61 1yzi h LEU 141 N 0.74 0.00 -1.87 0.00 3.38 -0.55 -2.66 115.31 114.35 1yzi h LEU 141 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1yzi h LEU 141 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1yzi h LEU 141 CO 0.03 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1yzi n ALA 142 N -2.27 2.42 -2.38 1.53 0.00 -0.71 -4.50 120.51 114.60 1yzi n ALA 142 Ca -0.02 -0.89 -0.35 0.00 0.00 0.00 0.00 53.44 52.19 1yzi n ALA 142 Cb 0.25 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 1yzi n ALA 142 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1yzi s HIS 143 N -1.33 3.57 -1.12 0.00 5.04 -1.00 -4.20 115.29 116.25 1yzi s HIS 143 Ca 0.34 1.01 -0.05 0.00 -1.54 0.00 0.00 55.06 54.82 1yzi s HIS 143 Cb 0.18 -2.34 -0.04 0.00 0.04 0.00 0.00 32.58 30.42 1yzi s HIS 143 CO 0.23 0.41 0.92 1.63 -2.34 0.00 0.00 174.74 175.59 1yzi n LYS 144 N 0.65 -3.69 0.00 2.88 4.76 -1.26 -4.70 118.16 116.79 1yzi n LYS 144 Ca -0.04 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1yzi n LYS 144 Cb 0.52 -5.70 0.00 0.00 -1.84 0.00 0.00 35.03 28.01 1yzi n LYS 144 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1yzi n TYR 145 N -3.63 0.00 0.00 2.13 -0.00 -1.26 -4.43 117.16 109.98 1yzi n TYR 145 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 1yzi n TYR 145 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.98 1yzi n TYR 145 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58