#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri s ASN 9 N 0.00 0.74 -0.06 0.55 0.01 -1.26 -5.15 114.94 109.77 2wri s ASN 9 Ca 0.00 -1.16 -0.01 0.00 -0.71 0.00 0.00 52.86 50.97 2wri s ASN 9 Cb 0.00 0.20 0.03 0.00 0.41 0.00 0.00 41.25 41.89 2wri s ASN 9 CO 0.00 -0.64 0.01 -0.22 -1.51 0.00 0.00 177.10 174.75 2wri s LEU 10 N -3.09 0.59 -0.62 0.60 2.96 -1.26 -5.05 118.68 112.81 2wri s LEU 10 Ca 0.22 -0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.94 2wri s LEU 10 Cb 0.07 -0.33 -0.13 0.00 0.50 0.00 0.00 46.19 46.29 2wri s LEU 10 CO 0.01 -0.19 1.82 -1.20 -1.32 0.00 0.00 176.35 175.47 2wri n SER 11 N 5.00 2.77 0.00 3.68 7.64 -1.26 -3.39 113.62 128.06 2wri n SER 11 Ca -0.10 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2wri n SER 11 Cb 0.50 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2wri n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wri n ALA 12 N 6.30 1.67 0.25 -0.43 0.00 -1.26 -4.47 120.51 122.57 2wri n ALA 12 Ca 0.41 -0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.81 2wri n ALA 12 Cb 0.27 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.36 2wri n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wri h LEU 13 N 0.00 0.00 -1.98 0.00 4.07 -1.99 0.16 115.31 115.56 2wri h LEU 13 Ca 0.00 0.00 0.19 0.00 0.08 0.00 0.00 57.88 58.15 2wri h LEU 13 Cb 0.06 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 2wri h LEU 13 CO 0.00 0.15 0.51 0.50 -1.08 0.00 0.00 178.44 178.52 2wri h LYS 14 N 0.00 0.00 0.01 1.13 3.64 -1.88 2.61 116.57 122.08 2wri h LYS 14 Ca -0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 2wri h LYS 14 Cb 0.49 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2wri h LYS 14 CO 0.02 0.00 -0.88 0.00 -2.27 0.00 0.00 179.45 176.32 2wri h ARG 15 N 0.00 0.09 0.06 1.90 2.47 -1.00 -2.91 114.38 114.99 2wri h ARG 15 Ca 0.30 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2wri h ARG 15 Cb 1.33 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 2wri h ARG 15 CO -0.00 0.91 -0.03 1.25 0.56 0.00 0.00 179.97 182.66 2wri h HIS 16 N 0.05 -0.07 -0.97 3.04 2.76 0.42 0.12 115.15 120.50 2wri h HIS 16 Ca -0.03 -0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.31 2wri h HIS 16 Cb 1.53 0.02 -0.17 0.00 1.55 0.00 0.00 27.41 30.35 2wri h HIS 16 CO 0.02 0.51 -0.32 0.00 -1.30 0.00 0.00 177.93 176.83 2wri h ARG 17 N -0.91 -0.01 0.21 5.26 3.08 0.13 0.76 114.38 122.91 2wri h ARG 17 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2wri h ARG 17 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2wri h ARG 17 CO 0.01 -0.00 -0.10 1.96 -1.07 0.00 0.00 179.97 180.77 2wri h GLN 18 N -0.01 -0.27 -0.83 0.04 4.20 -1.54 -2.32 115.11 114.38 2wri h GLN 18 Ca 0.40 0.02 0.26 0.00 0.06 0.00 0.00 58.65 59.39 2wri h GLN 18 Cb 0.65 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 28.34 2wri h GLN 18 CO -0.99 -0.11 0.14 0.45 -0.67 0.00 0.00 178.83 177.65 2wri n SER 19 N -5.17 0.01 -0.01 1.46 2.88 0.24 0.49 113.62 113.52 2wri n SER 19 Ca -0.09 1.40 -0.13 0.00 -1.33 0.00 0.00 58.87 58.72 2wri n SER 19 Cb 0.17 -0.56 -0.10 0.00 -0.75 0.00 0.00 64.21 62.97 2wri n SER 19 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2wri h LEU 20 N 0.00 -0.01 0.02 2.46 3.38 -0.15 -2.98 115.31 118.03 2wri h LEU 20 Ca 0.56 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wri h LEU 20 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2wri h LEU 20 CO -0.74 0.48 -0.07 0.11 0.09 0.00 0.00 178.44 178.31 2wri h LYS 21 N -0.49 -0.10 -0.72 1.13 1.57 0.49 -0.64 116.57 117.81 2wri h LYS 21 Ca -0.00 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 2wri h LYS 21 Cb 0.49 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.71 2wri h LYS 21 CO 0.00 -0.06 -0.51 0.00 -0.57 0.00 0.00 179.45 178.31 2wri h ARG 22 N -0.10 -0.16 -0.72 3.15 3.08 -1.40 0.10 114.38 118.33 2wri h ARG 22 Ca -0.00 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.18 2wri h ARG 22 Cb 0.10 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.06 2wri h ARG 22 CO -0.04 -0.11 -0.35 -0.09 -1.07 0.00 0.00 179.97 178.31 2wri h ARG 23 N -0.17 -0.10 -0.88 0.04 2.43 -1.35 0.74 114.38 115.09 2wri h ARG 23 Ca 0.17 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.50 2wri h ARG 23 Cb 0.53 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.03 2wri h ARG 23 CO -0.78 -0.07 0.57 1.25 -1.51 0.00 0.00 179.97 179.43 2wri h LEU 24 N -0.11 0.58 0.00 3.80 7.12 0.74 0.21 115.31 127.65 2wri h LEU 24 Ca 0.27 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.32 2wri h LEU 24 Cb 0.57 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 2wri h LEU 24 CO -0.78 0.28 0.00 -1.14 -0.13 0.00 0.00 178.44 176.67 2wri n ARG 25 N -4.55 0.00 0.14 1.25 0.63 0.25 -3.54 116.66 110.84 2wri n ARG 25 Ca 0.18 0.05 0.19 0.00 -0.92 0.00 0.00 57.85 57.35 2wri n ARG 25 Cb 0.52 -0.85 0.72 0.00 0.45 0.00 0.00 32.46 33.30 2wri n ARG 25 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2wri h ASN 26 N 0.00 0.00 -0.77 6.15 -0.00 -1.41 0.38 115.58 119.93 2wri h ASN 26 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 56.30 56.47 2wri h ASN 26 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.27 2wri h ASN 26 CO 0.00 0.00 0.52 0.50 -0.00 0.00 0.00 177.43 178.45 2wri h LYS 27 N 0.00 0.34 0.05 4.14 3.11 -0.63 -0.50 116.57 123.09 2wri h LYS 27 Ca 0.16 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.97 2wri h LYS 27 Cb 1.13 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 2wri h LYS 27 CO -0.00 0.23 -0.03 0.00 -2.81 0.00 0.00 179.45 176.84 2wri h ALA 28 N 1.64 -0.07 0.00 5.00 0.00 -0.27 -2.59 119.26 122.97 2wri h ALA 28 Ca 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wri h ALA 28 Cb 0.98 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2wri h ALA 28 CO -0.11 -0.07 0.00 1.57 0.00 0.00 0.00 179.25 180.63 2wri h LYS 29 N -1.01 0.00 0.00 0.00 2.10 -1.59 0.22 116.57 116.30 2wri h LYS 29 Ca -0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2wri h LYS 29 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2wri h LYS 29 CO 0.01 0.00 -0.00 -0.22 -2.00 0.00 0.00 179.45 177.24 2wri h LYS 30 N 0.00 -0.00 0.00 0.07 1.63 -1.13 -2.60 116.57 114.53 2wri h LYS 30 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wri h LYS 30 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2wri h LYS 30 CO 0.00 -0.00 0.00 0.66 -3.45 0.00 0.00 179.45 176.66 2wri h SER 31 N -0.01 0.00 0.21 4.20 4.64 -0.97 -2.72 113.55 118.90 2wri h SER 31 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wri h SER 31 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2wri h SER 31 CO 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.86 2wri h ALA 32 N 2.00 -0.48 -1.10 5.18 0.00 -0.60 -2.69 119.26 121.58 2wri h ALA 32 Ca 0.00 -0.06 0.30 0.00 0.00 0.00 0.00 54.91 55.15 2wri h ALA 32 Cb 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 2wri h ALA 32 CO 0.00 -0.45 0.73 0.82 0.00 0.00 0.00 179.25 180.34 2wri h ILE 33 N -0.58 0.45 0.00 0.00 2.04 -1.17 -0.08 117.51 118.16 2wri h ILE 33 Ca -0.03 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2wri h ILE 33 Cb 0.21 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2wri h ILE 33 CO 0.05 0.05 0.00 0.29 0.00 0.00 0.00 178.15 178.54 2wri n LYS 34 N -4.54 0.00 -0.32 2.37 5.02 -1.05 0.14 118.16 119.78 2wri n LYS 34 Ca 0.27 0.19 0.18 0.00 -2.02 0.00 0.00 58.31 56.92 2wri n LYS 34 Cb 1.02 -1.15 0.37 0.00 -0.02 0.00 0.00 35.03 35.25 2wri n LYS 34 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2wri h THR 35 N 0.00 0.15 -0.14 -0.18 1.35 -1.08 0.33 112.91 113.35 2wri h THR 35 Ca 0.00 -0.04 -0.03 0.00 -0.55 0.00 0.00 66.41 65.80 2wri h THR 35 Cb 0.00 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.45 2wri h THR 35 CO 0.00 0.02 -0.01 0.25 -0.25 0.00 0.00 175.52 175.53 2wri h LEU 36 N 0.11 0.25 -1.07 3.87 7.12 -0.98 -1.22 115.31 123.39 2wri h LEU 36 Ca 0.64 -0.33 0.25 0.00 0.13 0.00 0.00 57.88 58.57 2wri h LEU 36 Cb 1.43 -0.07 -0.12 0.00 -0.53 0.00 0.00 40.66 41.37 2wri h LEU 36 CO -0.76 0.52 0.61 0.28 -0.13 0.00 0.00 178.44 178.96 2wri h SER 37 N -0.03 0.64 0.41 1.25 0.02 0.52 -2.29 113.55 114.06 2wri h SER 37 Ca 0.04 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2wri h SER 37 Cb 0.40 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2wri h SER 37 CO 0.01 0.11 -0.20 0.11 -1.14 0.00 0.00 176.83 175.72 2wri h LYS 38 N 0.55 -0.53 -1.22 3.45 1.57 -1.01 -3.01 116.57 116.37 2wri h LYS 38 Ca 0.64 0.04 0.41 0.00 -1.87 0.00 0.00 60.65 59.86 2wri h LYS 38 Cb 1.27 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.60 2wri h LYS 38 CO -0.44 -0.35 0.80 1.17 -0.57 0.00 0.00 179.45 180.06 2wri n LYS 39 N -4.69 -0.02 0.00 3.15 4.81 -0.49 -0.82 118.16 120.10 2wri n LYS 39 Ca -0.07 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 2wri n LYS 39 Cb 0.22 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.24 2wri n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wri n ALA 40 N -2.58 -0.13 -0.47 3.14 0.00 -0.99 -3.14 120.51 116.35 2wri n ALA 40 Ca 0.34 0.00 0.41 0.00 0.00 0.00 0.00 53.44 54.19 2wri n ALA 40 Cb 1.35 0.00 0.76 0.00 0.00 0.00 0.00 19.45 21.56 2wri n ALA 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2wri h ILE 41 N 0.00 0.25 0.14 0.00 3.07 -1.11 0.34 117.51 120.20 2wri h ILE 41 Ca 0.00 -0.01 -0.00 0.00 1.55 0.00 0.00 64.86 66.40 2wri h ILE 41 Cb 0.00 0.22 -0.01 0.00 -0.27 0.00 0.00 36.82 36.77 2wri h ILE 41 CO 0.00 0.00 -0.14 -0.61 -1.05 0.00 0.00 178.15 176.36 2wri h GLN 42 N 0.02 -0.27 0.18 0.16 5.75 -1.05 -1.91 115.11 117.99 2wri h GLN 42 Ca 0.72 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 59.24 2wri h GLN 42 Cb 2.80 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 31.39 2wri h GLN 42 CO -0.05 -0.18 -0.31 -0.07 -2.65 0.00 0.00 178.83 175.57 2wri h LEU 43 N -0.28 -0.89 -0.59 -2.39 3.38 -0.91 0.88 115.31 114.51 2wri h LEU 43 Ca -0.02 0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.27 2wri h LEU 43 Cb 0.24 0.31 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 2wri h LEU 43 CO -0.01 -0.36 0.29 0.00 0.09 0.00 0.00 178.44 178.44 2wri n ALA 44 N -2.66 0.58 0.12 1.53 0.00 -0.68 0.41 120.51 119.80 2wri n ALA 44 Ca -0.06 0.60 -0.23 0.00 0.00 0.00 0.00 53.44 53.75 2wri n ALA 44 Cb 0.26 -0.59 -0.15 0.00 0.00 0.00 0.00 19.45 18.97 2wri n ALA 44 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2wri h GLN 45 N 0.00 0.46 0.00 0.00 -0.00 -0.57 -3.27 115.11 111.73 2wri h GLN 45 Ca 0.49 -0.78 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 2wri h GLN 45 Cb 1.27 0.29 0.00 0.00 0.00 0.00 0.00 27.48 29.04 2wri h GLN 45 CO -0.46 1.37 0.00 1.49 0.00 0.00 0.00 178.83 181.22 2wri h GLU 46 N 0.12 0.00 0.00 1.69 4.81 1.04 -3.46 114.58 118.78 2wri h GLU 46 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2wri h GLU 46 Cb 2.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.50 2wri h GLU 46 CO 0.24 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.93 2wri n GLY 47 N -0.94 2.43 2.38 1.92 0.00 0.56 -4.99 105.19 106.55 2wri n GLY 47 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wri n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wri n LYS 48 N -0.47 0.00 0.00 1.61 4.76 -1.20 -4.76 118.16 118.11 2wri n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wri n LYS 48 Cb 0.00 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2wri n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wri n ALA 49 N 2.47 0.00 0.01 7.82 0.00 -1.26 -0.64 120.51 128.91 2wri n ALA 49 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2wri n ALA 49 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2wri n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wri h GLU 50 N 0.00 -0.12 0.00 0.00 4.11 -1.90 -2.83 114.58 113.84 2wri h GLU 50 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2wri h GLU 50 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2wri h GLU 50 CO 0.00 0.41 0.07 -0.85 0.07 0.00 0.00 179.01 178.71 2wri n GLU 51 N -4.84 0.10 -0.06 1.06 0.28 -0.99 -0.64 120.64 115.54 2wri n GLU 51 Ca -0.08 0.58 -0.05 0.00 -0.16 0.00 0.00 57.16 57.45 2wri n GLU 51 Cb 0.29 -1.89 -0.04 0.00 1.43 0.00 0.00 31.44 31.23 2wri n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wri h ALA 52 N 1.79 0.02 -1.24 -1.84 0.00 -0.88 -3.26 119.26 113.84 2wri h ALA 52 Ca 0.00 -0.26 0.36 0.00 0.00 0.00 0.00 54.91 55.01 2wri h ALA 52 Cb 0.14 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2wri h ALA 52 CO 0.00 0.13 0.85 -0.07 0.00 0.00 0.00 179.25 180.15 2wri h LEU 53 N -1.00 0.20 0.26 0.00 3.38 -0.62 0.08 115.31 117.62 2wri h LEU 53 Ca -0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2wri h LEU 53 Cb 0.37 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wri h LEU 53 CO -0.01 -0.01 -0.17 0.50 0.09 0.00 0.00 178.44 178.83 2wri h LYS 54 N 0.15 -0.40 -0.65 1.13 3.64 -1.12 -0.84 116.57 118.47 2wri h LYS 54 Ca 0.67 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 60.21 2wri h LYS 54 Cb 2.23 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 34.04 2wri h LYS 54 CO -0.20 -0.27 0.11 0.82 -2.27 0.00 0.00 179.45 177.65 2wri h ILE 55 N -0.41 0.56 -0.87 2.00 1.08 -1.08 0.12 117.51 118.90 2wri h ILE 55 Ca -0.04 -0.08 0.14 0.00 -0.39 0.00 0.00 64.86 64.50 2wri h ILE 55 Cb 0.34 0.31 -0.07 0.00 -3.07 0.00 0.00 36.82 34.33 2wri h ILE 55 CO 0.03 0.04 0.56 -0.03 -0.69 0.00 0.00 178.15 178.06 2wri h MET 56 N 0.23 0.65 -0.25 2.37 4.05 -1.09 0.36 114.93 121.25 2wri h MET 56 Ca 0.35 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.63 2wri h MET 56 Cb 0.57 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2wri h MET 56 CO -0.47 0.43 -0.29 -0.09 0.23 0.00 0.00 176.91 176.72 2wri h ARG 57 N 0.67 0.51 0.35 0.39 2.43 0.72 -1.40 114.38 118.05 2wri h ARG 57 Ca 0.43 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2wri h ARG 57 Cb 0.71 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2wri h ARG 57 CO -0.19 0.75 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.63 2wri h LYS 58 N 0.44 -0.45 -0.82 0.20 1.63 -0.04 -2.82 116.57 114.72 2wri h LYS 58 Ca 0.06 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.98 2wri h LYS 58 Cb 0.73 0.10 -0.11 0.00 -0.60 0.00 0.00 32.23 32.35 2wri h LYS 58 CO 0.06 -0.15 -0.55 0.00 -3.45 0.00 0.00 179.45 175.36 2wri h ALA 59 N -0.68 -0.51 -0.86 5.00 0.00 -0.43 0.18 119.26 121.95 2wri h ALA 59 Ca -0.05 0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.10 2wri h ALA 59 Cb 0.51 1.24 -0.14 0.00 0.00 0.00 0.00 17.79 19.40 2wri h ALA 59 CO 0.08 -0.94 -0.38 1.49 0.00 0.00 0.00 179.25 179.50 2wri h GLU 60 N -0.12 -0.05 0.00 0.00 4.81 -1.27 -1.59 114.58 116.36 2wri h GLU 60 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2wri h GLU 60 Cb 0.49 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2wri h GLU 60 CO -0.84 -0.04 -0.01 1.03 -0.73 0.00 0.00 179.01 178.43 2wri h SER 61 N -0.06 -0.03 -1.21 1.04 0.87 -0.40 -1.22 113.55 112.54 2wri h SER 61 Ca 0.30 0.00 0.35 0.00 -1.23 0.00 0.00 61.79 61.22 2wri h SER 61 Cb 0.58 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.50 2wri h SER 61 CO -0.89 -0.01 1.13 0.18 -0.53 0.00 0.00 176.83 176.72 2wri n LEU 62 N -2.47 0.00 0.00 2.23 4.77 -0.67 -0.50 117.00 120.36 2wri n LEU 62 Ca -0.00 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 2wri n LEU 62 Cb 0.01 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2wri n LEU 62 CO 0.00 -0.74 0.09 -0.38 -1.33 0.00 0.00 177.39 175.04 2wri n ILE 63 N -3.24 0.00 0.30 -0.08 5.41 -0.49 -1.83 119.36 119.43 2wri n ILE 63 Ca 0.27 0.54 0.14 0.00 1.00 0.00 0.00 62.75 64.70 2wri n ILE 63 Cb 1.50 -1.26 0.68 0.00 -0.71 0.00 0.00 39.64 39.85 2wri n ILE 63 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2wri h ASP 64 N 0.00 0.00 -0.00 4.38 5.19 -0.89 0.63 116.42 125.72 2wri h ASP 64 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wri h ASP 64 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 2wri h ASP 64 CO 0.00 0.00 -0.00 0.11 -3.12 0.00 0.00 179.24 176.23 2wri h LYS 65 N 0.00 0.01 0.00 3.56 1.79 -0.83 -2.95 116.57 118.15 2wri h LYS 65 Ca 0.03 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2wri h LYS 65 Cb 0.95 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 2wri h LYS 65 CO -0.00 0.41 -0.23 0.00 -1.08 0.00 0.00 179.45 178.55 2wri h ALA 66 N 0.59 1.23 -0.19 3.86 0.00 0.97 -2.56 119.26 123.17 2wri h ALA 66 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2wri h ALA 66 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2wri h ALA 66 CO 0.00 0.29 0.13 0.00 0.00 0.00 0.00 179.25 179.67 2wri h ALA 67 N 1.77 1.97 0.21 0.00 0.00 -0.95 -3.08 119.26 119.18 2wri h ALA 67 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wri h ALA 67 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2wri h ALA 67 CO 0.03 0.00 -0.40 0.87 0.00 0.00 0.00 179.25 179.75 2wri h LYS 68 N 0.16 -0.64 0.00 0.00 1.57 -1.42 -3.41 116.57 112.83 2wri h LYS 68 Ca 0.08 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2wri h LYS 68 Cb 0.11 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2wri h LYS 68 CO -0.01 -0.42 0.00 0.41 -0.57 0.00 0.00 179.45 178.85 2wri n GLY 69 N -1.40 -2.48 0.00 3.86 0.00 -1.16 -4.93 105.19 99.07 2wri n GLY 69 Ca -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2wri n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wri n SER 70 N 0.00 1.26 0.00 1.61 7.64 -1.26 -4.86 113.62 118.01 2wri n SER 70 Ca 0.00 -1.48 0.00 0.00 1.01 0.00 0.00 58.87 58.40 2wri n SER 70 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wri n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wri n THR 71 N -0.24 0.00 -3.37 0.44 -1.04 -1.25 -4.86 114.28 103.96 2wri n THR 71 Ca 0.00 1.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.85 2wri n THR 71 Cb 0.21 -1.88 0.03 0.00 -1.82 0.00 0.00 70.33 66.86 2wri n THR 71 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wri n LEU 72 N -1.10 0.00 0.00 -4.42 4.77 -1.23 -5.04 117.00 109.98 2wri n LEU 72 Ca 0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.01 2wri n LEU 72 Cb 0.00 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2wri n LEU 72 CO 0.00 -0.59 0.00 1.41 -1.33 0.00 0.00 177.39 176.88 2wri n HIS 73 N -1.72 -0.07 0.00 -1.77 8.25 -1.26 -4.47 115.22 114.19 2wri n HIS 73 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2wri n HIS 73 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 2wri n HIS 73 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2wri n LYS 74 N 0.00 0.00 0.00 -0.41 0.00 -1.26 0.71 118.16 117.19 2wri n LYS 74 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 2wri n LYS 74 Cb 0.00 0.00 0.63 0.00 -0.00 0.00 0.00 35.03 35.66 2wri n LYS 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2wri n ASN 75 N 0.00 0.00 -0.24 -5.58 3.02 -1.26 -3.38 115.26 107.82 2wri n ASN 75 Ca 0.00 -0.07 0.02 0.00 -0.03 0.00 0.00 54.58 54.50 2wri n ASN 75 Cb 0.00 -0.28 0.10 0.00 -0.61 0.00 0.00 39.78 38.98 2wri n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wri h ALA 76 N 3.18 0.55 -1.86 5.41 0.00 -0.13 2.44 119.26 128.84 2wri h ALA 76 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wri h ALA 76 Cb 0.23 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2wri h ALA 76 CO 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.83 2wri n ALA 77 N -3.06 -0.10 -0.19 0.00 0.00 -0.89 -2.78 120.51 113.49 2wri n ALA 77 Ca 0.10 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.73 2wri n ALA 77 Cb 0.38 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.18 2wri n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wri n ALA 78 N -1.07 0.61 0.36 0.00 0.00 -1.00 0.65 120.51 120.07 2wri n ALA 78 Ca 0.00 0.60 -0.14 0.00 0.00 0.00 0.00 53.44 53.90 2wri n ALA 78 Cb 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 2wri n ALA 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wri h ARG 79 N 0.00 -0.91 -1.10 0.00 2.43 0.41 -1.18 114.38 114.02 2wri h ARG 79 Ca 0.50 0.06 0.30 0.00 -0.81 0.00 0.00 59.98 60.04 2wri h ARG 79 Cb 1.32 0.21 -0.09 0.00 -0.42 0.00 0.00 29.97 30.99 2wri h ARG 79 CO -0.46 -0.61 0.72 0.00 -1.51 0.00 0.00 179.97 178.12 2wri h ARG 80 N -1.17 0.28 0.47 0.20 3.08 0.40 -1.47 114.38 116.17 2wri h ARG 80 Ca -0.10 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 2wri h ARG 80 Cb 0.72 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2wri h ARG 80 CO 0.16 0.18 -0.23 0.87 -1.07 0.00 0.00 179.97 179.88 2wri h LYS 81 N 0.28 -0.61 0.00 0.04 1.57 -1.21 -0.53 116.57 116.11 2wri h LYS 81 Ca 0.62 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 2wri h LYS 81 Cb 1.78 0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.23 2wri h LYS 81 CO -0.27 -0.34 0.23 -1.13 -0.57 0.00 0.00 179.45 177.37 2wri n SER 82 N -5.21 0.00 -0.08 0.86 3.41 -0.46 0.52 113.62 112.65 2wri n SER 82 Ca -0.09 0.26 -0.10 0.00 -0.26 0.00 0.00 58.87 58.67 2wri n SER 82 Cb 0.29 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 2wri n SER 82 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wri n ARG 83 N -1.25 0.93 0.00 4.33 1.74 -1.00 -4.17 116.66 117.24 2wri n ARG 83 Ca 0.00 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2wri n ARG 83 Cb 0.23 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2wri n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wri n LEU 84 N -2.84 0.25 -1.30 0.55 -0.00 0.18 -1.32 117.00 112.52 2wri n LEU 84 Ca -0.29 0.71 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 2wri n LEU 84 Cb 0.89 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 2wri n LEU 84 CO 0.23 -0.32 0.32 1.15 -0.00 0.00 0.00 177.39 178.77 2wri n MET 85 N -1.46 0.46 0.04 1.96 0.00 -0.53 -1.50 117.12 116.08 2wri n MET 85 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 57.70 2wri n MET 85 Cb 0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 33.22 31.95 2wri n MET 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2wri n ARG 86 N 1.16 0.01 -0.04 3.17 0.63 -1.05 -4.55 116.66 115.99 2wri n ARG 86 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.82 2wri n ARG 86 Cb 0.23 -0.52 0.01 0.00 0.45 0.00 0.00 32.46 32.63 2wri n ARG 86 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wri h LYS 87 N -0.02 0.71 0.09 -0.14 1.63 -0.10 -2.07 116.57 116.68 2wri h LYS 87 Ca -0.00 -0.44 0.02 0.00 -0.85 0.00 0.00 60.65 59.37 2wri h LYS 87 Cb 0.24 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 2wri h LYS 87 CO -0.00 1.06 -0.21 0.28 -3.45 0.00 0.00 179.45 177.13 2wri h VAL 88 N 0.55 0.52 0.00 2.00 2.07 -1.50 0.25 116.25 120.14 2wri h VAL 88 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2wri h VAL 88 Cb 1.11 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2wri h VAL 88 CO 0.11 0.00 -0.02 -0.09 0.02 0.00 0.00 177.57 177.59 2wri h ARG 89 N -0.39 0.00 -1.34 1.57 2.43 -1.78 -1.65 114.38 113.22 2wri h ARG 89 Ca 0.03 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.69 2wri h ARG 89 Cb 0.42 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.75 2wri h ARG 89 CO -0.13 0.02 0.65 1.04 -1.51 0.00 0.00 179.97 180.04 2wri n GLN 90 N -4.11 2.27 0.00 0.20 6.02 0.05 -3.20 117.38 118.61 2wri n GLN 90 Ca -0.03 -2.45 0.00 0.00 -0.01 0.00 0.00 57.00 54.51 2wri n GLN 90 Cb 0.10 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.40 2wri n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wri n LEU 91 N -0.21 0.00 0.04 1.08 4.77 -0.76 -4.80 117.00 117.12 2wri n LEU 91 Ca 0.47 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 2wri n LEU 91 Cb 0.60 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.11 2wri n LEU 91 CO 0.57 0.00 0.76 0.18 -1.33 0.00 0.00 177.39 177.56 2wri n LEU 92 N -0.17 0.45 -0.49 2.23 4.77 -0.69 -2.22 117.00 120.87 2wri n LEU 92 Ca 0.00 0.40 0.10 0.00 -0.03 0.00 0.00 56.01 56.48 2wri n LEU 92 Cb 0.00 -0.35 0.39 0.00 -2.33 0.00 0.00 43.42 41.13 2wri n LEU 92 CO 0.00 -0.05 0.78 -1.84 -1.33 0.00 0.00 177.39 174.95 2wri n GLU 93 N -1.84 1.65 -0.51 3.23 0.00 -1.19 -2.06 120.64 119.91 2wri n GLU 93 Ca 0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 57.16 56.21 2wri n GLU 93 Cb 0.38 -1.38 0.01 0.00 0.00 0.00 0.00 31.44 30.46 2wri n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wri n ALA 94 N 0.20 4.01 -1.77 -1.84 0.00 -0.94 -4.70 120.51 115.46 2wri n ALA 94 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.20 2wri n ALA 94 Cb 0.30 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2wri n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wri n ALA 95 N 1.05 -3.06 0.00 0.00 0.00 -1.24 -5.02 120.51 112.24 2wri n ALA 95 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2wri n ALA 95 Cb 0.54 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2wri n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wri n GLY 96 N -0.12 0.00 2.28 0.00 0.00 -0.87 -5.03 105.19 101.44 2wri n GLY 96 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wri n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wri n ALA 97 N -0.28 -1.74 -1.52 4.61 0.00 -1.24 -4.46 120.51 115.88 2wri n ALA 97 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.55 2wri n ALA 97 Cb 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 2wri n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wri n PRO 98 N 1.91 0.31 0.00 0.00 -0.04 -1.26 -4.87 135.00 131.05 2wri n PRO 98 Ca -0.02 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2wri n PRO 98 Cb 0.03 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 2wri n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wri n LEU 99 N 11.64 0.00 -4.24 1.53 4.77 -1.26 -4.84 117.00 124.60 2wri n LEU 99 Ca 0.57 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 56.19 2wri n LEU 99 Cb 0.24 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.38 2wri n LEU 99 CO 0.87 0.00 -0.64 0.00 -1.33 0.00 0.00 177.39 176.29 2wri n ILE 100 N 0.00 0.41 -0.90 -0.08 0.13 -1.26 -4.70 119.36 112.96 2wri n ILE 100 Ca 0.00 -0.41 -0.28 0.00 -1.10 0.00 0.00 62.75 60.95 2wri n ILE 100 Cb 0.00 -0.29 -0.03 0.00 -0.84 0.00 0.00 39.64 38.48 2wri n ILE 100 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2wri n GLY 101 N 2.49 3.15 0.00 4.50 0.00 -1.26 -4.90 105.19 109.17 2wri n GLY 101 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2wri n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wri n GLY 102 N 3.91 -2.71 0.00 -0.02 0.00 -1.26 -4.96 105.19 100.15 2wri n GLY 102 Ca 0.48 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2wri n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wri n GLY 103 N 1.88 -2.69 0.87 -0.02 0.00 -1.26 -4.75 105.19 99.22 2wri n GLY 103 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 2wri n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wri n LEU 104 N -2.02 0.09 -4.84 0.99 0.00 -1.26 -4.86 117.00 105.10 2wri n LEU 104 Ca 0.00 0.28 -0.33 0.00 0.00 0.00 0.00 56.01 55.96 2wri n LEU 104 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 43.42 43.14 2wri n LEU 104 CO 0.00 -0.38 0.44 -0.94 0.00 0.00 0.00 177.39 176.51 2wri s SER 105 N 0.22 6.85 0.00 1.96 1.04 -1.26 -5.05 113.70 117.46 2wri s SER 105 Ca 0.23 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.01 2wri s SER 105 Cb -0.33 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2wri s SER 105 CO 0.16 -0.18 0.00 0.00 0.98 0.00 0.00 173.24 174.20