#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmo n ASN 9 N 0.00 -6.60 -4.46 0.55 5.15 -1.26 -4.89 115.26 103.75 1xmo n ASN 9 Ca 0.00 0.31 -0.43 0.00 -0.60 0.00 0.00 54.58 53.86 1xmo n ASN 9 Cb 0.00 -2.94 -0.04 0.00 -0.53 0.00 0.00 39.78 36.28 1xmo n ASN 9 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xmo s LEU 10 N -2.08 4.37 0.00 1.20 1.98 -1.26 -4.91 118.68 117.98 1xmo s LEU 10 Ca 0.23 -1.08 0.00 0.00 -2.89 0.00 0.00 54.13 50.39 1xmo s LEU 10 Cb -0.03 -2.43 0.00 0.00 0.66 0.00 0.00 46.19 44.39 1xmo s LEU 10 CO 0.65 -1.43 0.20 -1.20 -1.89 0.00 0.00 176.35 172.68 1xmo n SER 11 N 7.71 0.00 -3.63 3.68 7.64 -1.26 -3.13 113.62 124.62 1xmo n SER 11 Ca 0.00 0.02 -0.41 0.00 1.01 0.00 0.00 58.87 59.49 1xmo n SER 11 Cb 0.46 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.65 1xmo n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xmo n ALA 12 N -0.70 6.22 0.33 -0.43 0.00 -1.26 -3.68 120.51 120.99 1xmo n ALA 12 Ca 0.00 -4.41 0.05 0.00 0.00 0.00 0.00 53.44 49.08 1xmo n ALA 12 Cb 0.06 -2.49 -0.07 0.00 0.00 0.00 0.00 19.45 16.96 1xmo n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xmo n LEU 13 N 1.04 0.33 -0.34 0.00 4.32 -1.19 -4.30 117.00 116.86 1xmo n LEU 13 Ca 0.50 -0.32 0.17 0.00 -0.02 0.00 0.00 56.01 56.34 1xmo n LEU 13 Cb 0.27 0.00 0.39 0.00 -1.62 0.00 0.00 43.42 42.46 1xmo n LEU 13 CO 0.63 0.08 1.19 0.50 -1.22 0.00 0.00 177.39 178.57 1xmo h LYS 14 N 0.00 0.60 -0.32 3.23 3.64 -1.88 0.26 116.57 122.10 1xmo h LYS 14 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xmo h LYS 14 Cb 0.34 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1xmo h LYS 14 CO 0.00 0.39 0.19 0.00 -2.27 0.00 0.00 179.45 177.77 1xmo h ARG 15 N 0.61 0.44 0.18 1.90 2.47 -1.89 1.13 114.38 119.22 1xmo h ARG 15 Ca 0.60 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.28 1xmo h ARG 15 Cb 1.14 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1xmo h ARG 15 CO -0.39 0.34 -0.13 1.25 0.56 0.00 0.00 179.97 181.59 1xmo h HIS 16 N 0.41 -0.36 -0.66 3.04 2.76 -0.88 0.67 115.15 120.13 1xmo h HIS 16 Ca 0.12 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.37 1xmo h HIS 16 Cb 0.01 0.13 -0.10 0.00 1.55 0.00 0.00 27.41 29.01 1xmo h HIS 16 CO -0.04 -0.19 -0.31 -2.13 -1.30 0.00 0.00 177.93 173.96 1xmo n ARG 17 N -3.07 -0.21 0.35 5.26 0.63 0.20 -0.79 116.66 119.02 1xmo n ARG 17 Ca -0.04 1.01 -0.17 0.00 -0.92 0.00 0.00 57.85 57.73 1xmo n ARG 17 Cb 0.13 -1.49 -0.09 0.00 0.45 0.00 0.00 32.46 31.46 1xmo n ARG 17 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1xmo h GLN 18 N 0.00 -0.84 -0.83 -0.14 4.20 0.18 -2.97 115.11 114.72 1xmo h GLN 18 Ca 0.18 0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.13 1xmo h GLN 18 Cb 0.34 0.19 -0.15 0.00 0.30 0.00 0.00 27.48 28.16 1xmo h GLN 18 CO -0.64 -0.54 -0.13 0.66 -0.67 0.00 0.00 178.83 177.51 1xmo h SER 19 N -0.94 -0.63 -0.35 1.46 4.64 0.25 0.47 113.55 118.44 1xmo h SER 19 Ca -0.09 0.24 0.06 0.00 -0.47 0.00 0.00 61.79 61.53 1xmo h SER 19 Cb 0.69 0.47 -0.08 0.00 -0.31 0.00 0.00 62.40 63.16 1xmo h SER 19 CO 0.15 -0.26 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.29 1xmo h LEU 20 N 0.03 -1.61 -0.46 5.97 3.38 -1.00 1.23 115.31 122.84 1xmo h LEU 20 Ca 0.42 0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.70 1xmo h LEU 20 Cb 0.71 0.67 -0.10 0.00 0.09 0.00 0.00 40.66 42.04 1xmo h LEU 20 CO -0.81 -0.40 -0.36 0.11 0.09 0.00 0.00 178.44 177.07 1xmo h LYS 21 N -0.40 -0.23 -0.05 1.13 1.57 0.03 -1.36 116.57 117.26 1xmo h LYS 21 Ca 0.10 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1xmo h LYS 21 Cb 0.61 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1xmo h LYS 21 CO -0.55 -0.16 0.02 0.00 -0.57 0.00 0.00 179.45 178.19 1xmo h ARG 22 N -0.24 0.04 -0.92 3.15 3.08 0.06 -1.04 114.38 118.50 1xmo h ARG 22 Ca 0.18 -0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.50 1xmo h ARG 22 Cb 0.55 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1xmo h ARG 22 CO -0.59 0.03 0.92 -0.09 -1.07 0.00 0.00 179.97 179.17 1xmo h ARG 23 N 0.04 0.00 0.03 0.04 2.43 0.25 1.65 114.38 118.82 1xmo h ARG 23 Ca 0.02 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.87 1xmo h ARG 23 Cb 0.01 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 1xmo h ARG 23 CO -0.02 0.00 -1.86 -0.11 -1.51 0.00 0.00 179.97 176.47 1xmo n LEU 24 N -3.58 1.21 -0.10 3.80 7.94 -0.51 -2.88 117.00 122.87 1xmo n LEU 24 Ca 0.20 0.32 -0.08 0.00 -1.11 0.00 0.00 56.01 55.34 1xmo n LEU 24 Cb 1.22 -0.09 -0.00 0.00 0.53 0.00 0.00 43.42 45.08 1xmo n LEU 24 CO 0.29 0.51 0.99 -0.09 -1.11 0.00 0.00 177.39 177.98 1xmo h ARG 25 N 0.01 0.39 -0.00 1.96 9.65 0.35 -2.92 114.38 123.82 1xmo h ARG 25 Ca -0.35 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.50 1xmo h ARG 25 Cb 2.04 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 30.53 1xmo h ARG 25 CO 0.07 0.26 -0.01 -0.91 2.80 0.00 0.00 179.97 182.17 1xmo h ASN 26 N 0.40 0.02 -1.66 -3.80 2.35 -1.26 -3.10 115.58 108.52 1xmo h ASN 26 Ca 0.14 -0.62 0.49 0.00 -0.55 0.00 0.00 56.30 55.76 1xmo h ASN 26 Cb 0.01 -0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.29 1xmo h ASN 26 CO -0.07 0.64 1.17 0.50 -1.65 0.00 0.00 177.43 178.02 1xmo h LYS 27 N -0.60 0.02 0.04 0.81 3.64 -1.50 -0.75 116.57 118.24 1xmo h LYS 27 Ca -0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xmo h LYS 27 Cb 0.64 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1xmo h LYS 27 CO 0.00 0.01 -0.02 0.00 -2.27 0.00 0.00 179.45 177.18 1xmo h ALA 28 N 1.23 -0.11 -0.87 5.00 0.00 -1.47 -3.02 119.26 120.02 1xmo h ALA 28 Ca 0.84 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 56.10 1xmo h ALA 28 Cb 3.19 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 20.84 1xmo h ALA 28 CO -0.11 -0.11 0.45 1.63 0.00 0.00 0.00 179.25 181.11 1xmo n LYS 29 N -3.26 -0.05 0.12 0.00 5.02 -0.37 -0.25 118.16 119.37 1xmo n LYS 29 Ca -0.01 1.21 -0.12 0.00 -2.02 0.00 0.00 58.31 57.38 1xmo n LYS 29 Cb 0.02 -2.16 -0.07 0.00 -0.02 0.00 0.00 35.03 32.80 1xmo n LYS 29 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1xmo h LYS 30 N 0.00 -0.35 -0.97 1.97 1.57 -1.47 -2.69 116.57 114.62 1xmo h LYS 30 Ca 0.73 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.73 1xmo h LYS 30 Cb 1.92 0.08 -0.18 0.00 0.08 0.00 0.00 32.23 34.12 1xmo h LYS 30 CO -0.68 0.00 -0.22 0.43 -0.57 0.00 0.00 179.45 178.41 1xmo n SER 31 N -5.05 -0.33 0.33 0.86 7.64 0.66 0.18 113.62 117.91 1xmo n SER 31 Ca -0.08 1.67 -0.17 0.00 1.01 0.00 0.00 58.87 61.30 1xmo n SER 31 Cb 0.26 -0.51 -0.09 0.00 -1.01 0.00 0.00 64.21 62.86 1xmo n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xmo h ALA 32 N 1.95 -0.80 -0.80 -0.43 0.00 -1.54 -0.99 119.26 116.64 1xmo h ALA 32 Ca 0.48 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.36 1xmo h ALA 32 Cb 0.75 0.31 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1xmo h ALA 32 CO -1.00 -0.95 -0.23 0.82 0.00 0.00 0.00 179.25 177.89 1xmo h ILE 33 N -0.82 0.17 0.50 0.00 2.04 0.09 0.38 117.51 119.87 1xmo h ILE 33 Ca -0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1xmo h ILE 33 Cb 0.62 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1xmo h ILE 33 CO 0.13 0.00 -0.29 0.11 0.00 0.00 0.00 178.15 178.10 1xmo h LYS 34 N -0.02 -0.71 -0.75 2.37 1.57 -0.42 -1.48 116.57 117.13 1xmo h LYS 34 Ca 0.37 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.27 1xmo h LYS 34 Cb 0.59 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 32.96 1xmo h LYS 34 CO -0.83 -0.47 -0.51 1.15 -0.57 0.00 0.00 179.45 178.22 1xmo h THR 35 N -0.73 0.00 -0.85 -0.16 2.02 -0.22 0.22 112.91 113.18 1xmo h THR 35 Ca -0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.17 1xmo h THR 35 Cb 0.58 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 1xmo h THR 35 CO 0.08 0.00 0.56 -0.07 0.37 0.00 0.00 175.52 176.46 1xmo h LEU 36 N -0.09 0.86 0.87 2.58 3.38 -1.01 0.32 115.31 122.21 1xmo h LEU 36 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1xmo h LEU 36 Cb 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xmo h LEU 36 CO -0.75 0.56 -0.48 0.28 0.09 0.00 0.00 178.44 178.14 1xmo h SER 37 N 0.98 -1.19 -0.32 -0.43 0.02 0.38 0.15 113.55 113.13 1xmo h SER 37 Ca 0.36 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.44 1xmo h SER 37 Cb 0.17 0.33 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 1xmo h SER 37 CO -0.13 -0.77 -0.14 0.11 -1.14 0.00 0.00 176.83 174.76 1xmo h LYS 38 N -1.25 -0.08 -0.79 3.45 1.57 -0.25 -0.73 116.57 118.49 1xmo h LYS 38 Ca -0.12 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.86 1xmo h LYS 38 Cb 0.98 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 33.18 1xmo h LYS 38 CO 0.15 -0.05 0.15 -0.22 -0.57 0.00 0.00 179.45 178.90 1xmo h LYS 39 N -0.08 0.19 -0.13 3.15 3.64 -0.04 0.50 116.57 123.80 1xmo h LYS 39 Ca 0.16 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1xmo h LYS 39 Cb 0.33 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xmo h LYS 39 CO -0.38 0.13 -0.03 0.00 -2.27 0.00 0.00 179.45 176.90 1xmo h ALA 40 N 1.70 0.18 -0.82 5.00 0.00 0.57 -2.78 119.26 123.10 1xmo h ALA 40 Ca 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1xmo h ALA 40 Cb 0.85 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1xmo h ALA 40 CO -0.61 -0.08 0.47 0.82 0.00 0.00 0.00 179.25 179.85 1xmo h ILE 41 N -0.05 1.24 0.00 0.00 5.03 0.22 -1.21 117.51 122.75 1xmo h ILE 41 Ca 0.03 -0.57 0.00 0.00 -0.12 0.00 0.00 64.86 64.20 1xmo h ILE 41 Cb 0.44 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 34.35 1xmo h ILE 41 CO 0.01 0.26 0.00 -0.61 -0.68 0.00 0.00 178.15 177.13 1xmo h GLN 42 N 1.14 0.00 0.00 2.37 -0.00 -0.02 -0.14 115.11 118.45 1xmo h GLN 42 Ca 0.29 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.89 1xmo h GLN 42 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.48 1xmo h GLN 42 CO -0.05 0.00 -0.45 -0.07 0.00 0.00 0.00 178.83 178.26 1xmo h LEU 43 N 0.00 0.00 -1.71 -2.39 3.38 -0.94 -3.32 115.31 110.33 1xmo h LEU 43 Ca 0.00 -0.27 0.13 0.00 0.09 0.00 0.00 57.88 57.83 1xmo h LEU 43 Cb 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1xmo h LEU 43 CO 0.00 0.89 0.43 0.00 0.09 0.00 0.00 178.44 179.84 1xmo h ALA 44 N -0.73 2.17 -0.57 1.53 0.00 -1.39 1.40 119.26 121.67 1xmo h ALA 44 Ca -0.08 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.99 1xmo h ALA 44 Cb 0.62 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1xmo h ALA 44 CO -0.05 -0.33 0.61 0.37 0.00 0.00 0.00 179.25 179.85 1xmo h GLN 45 N 0.30 0.00 -0.03 0.00 -0.00 -1.11 1.25 115.11 115.52 1xmo h GLN 45 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 1xmo h GLN 45 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.24 1xmo h GLN 45 CO -0.07 0.00 0.00 0.39 0.00 0.00 0.00 178.83 179.15 1xmo n GLU 46 N -3.65 0.41 -2.08 1.69 1.02 0.46 -5.00 120.64 113.47 1xmo n GLU 46 Ca 0.11 -1.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.08 1xmo n GLU 46 Cb 0.82 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 31.07 1xmo n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmo n GLY 47 N 0.45 0.10 0.15 0.62 0.00 0.43 -4.89 105.19 102.04 1xmo n GLY 47 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1xmo n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xmo n LYS 48 N -2.03 0.63 0.00 1.61 4.76 -1.07 -4.85 118.16 117.21 1xmo n LYS 48 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1xmo n LYS 48 Cb 0.56 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 1xmo n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xmo n ALA 49 N -0.29 0.00 -0.45 7.82 0.00 -1.26 -2.54 120.51 123.78 1xmo n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xmo n ALA 49 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1xmo n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xmo n GLU 50 N 0.00 0.00 0.26 0.00 2.13 -1.26 0.63 120.64 122.39 1xmo n GLU 50 Ca 0.00 0.77 0.11 0.00 0.66 0.00 0.00 57.16 58.70 1xmo n GLU 50 Cb 0.00 -1.27 0.68 0.00 0.27 0.00 0.00 31.44 31.12 1xmo n GLU 50 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1xmo h GLU 51 N 0.00 0.00 -0.81 5.31 4.11 -1.93 -1.55 114.58 119.71 1xmo h GLU 51 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1xmo h GLU 51 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1xmo h GLU 51 CO 0.00 0.13 0.48 0.00 0.07 0.00 0.00 179.01 179.70 1xmo h ALA 52 N 1.87 1.04 0.00 1.06 0.00 -0.88 -2.73 119.26 119.62 1xmo h ALA 52 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xmo h ALA 52 Cb 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xmo h ALA 52 CO 0.02 0.51 -0.02 -0.07 0.00 0.00 0.00 179.25 179.69 1xmo h LEU 53 N 1.12 0.01 -1.00 0.00 3.38 0.83 -3.19 115.31 116.46 1xmo h LEU 53 Ca 0.29 -0.94 0.31 0.00 0.09 0.00 0.00 57.88 57.63 1xmo h LEU 53 Cb -0.03 -0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.53 1xmo h LEU 53 CO -0.05 0.95 0.15 0.11 0.09 0.00 0.00 178.44 179.69 1xmo h LYS 54 N -0.93 0.01 -0.37 1.13 1.57 -1.24 1.80 116.57 118.54 1xmo h LYS 54 Ca -0.00 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1xmo h LYS 54 Cb 0.95 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1xmo h LYS 54 CO 0.00 0.00 -0.30 0.82 -0.57 0.00 0.00 179.45 179.40 1xmo h ILE 55 N 0.01 1.28 -0.46 1.86 2.04 -1.61 -0.99 117.51 119.64 1xmo h ILE 55 Ca 0.66 -1.47 0.09 0.00 1.00 0.00 0.00 64.86 65.15 1xmo h ILE 55 Cb 1.48 1.39 -0.09 0.00 -0.74 0.00 0.00 36.82 38.87 1xmo h ILE 55 CO -0.89 0.49 -0.13 -0.03 0.00 0.00 0.00 178.15 177.58 1xmo h MET 56 N 0.66 -0.02 -0.75 2.37 4.05 0.24 0.37 114.93 121.84 1xmo h MET 56 Ca 0.07 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.54 1xmo h MET 56 Cb 0.88 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.64 1xmo h MET 56 CO 0.08 -0.01 0.45 -0.09 0.23 0.00 0.00 176.91 177.57 1xmo h ARG 57 N -0.02 0.83 -0.00 0.39 2.43 0.90 0.72 114.38 119.62 1xmo h ARG 57 Ca 0.22 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1xmo h ARG 57 Cb 0.36 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1xmo h ARG 57 CO -0.48 0.55 -0.00 -0.22 -1.51 0.00 0.00 179.97 178.30 1xmo h LYS 58 N 0.85 0.00 -0.68 0.20 3.64 0.01 -2.94 116.57 117.67 1xmo h LYS 58 Ca 0.32 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.83 1xmo h LYS 58 Cb 0.12 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.84 1xmo h LYS 58 CO -0.15 0.46 0.16 0.00 -2.27 0.00 0.00 179.45 177.65 1xmo h ALA 59 N 0.54 0.84 -0.12 5.00 0.00 0.17 -0.41 119.26 125.28 1xmo h ALA 59 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xmo h ALA 59 Cb 0.46 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xmo h ALA 59 CO 0.00 -0.32 0.00 -1.91 0.00 0.00 0.00 179.25 177.02 1xmo n GLU 60 N -5.14 0.00 -0.11 0.00 2.13 0.25 -1.62 120.64 116.16 1xmo n GLU 60 Ca 0.12 0.87 -0.07 0.00 0.66 0.00 0.00 57.16 58.74 1xmo n GLU 60 Cb 0.39 -1.48 -0.05 0.00 0.27 0.00 0.00 31.44 30.57 1xmo n GLU 60 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1xmo h SER 61 N 0.00 -1.00 -0.80 4.31 0.87 -1.21 0.99 113.55 116.71 1xmo h SER 61 Ca 0.00 0.14 0.30 0.00 -1.23 0.00 0.00 61.79 61.00 1xmo h SER 61 Cb 0.00 0.42 -0.11 0.00 -0.44 0.00 0.00 62.40 62.27 1xmo h SER 61 CO 0.00 -0.19 0.48 0.18 -0.53 0.00 0.00 176.83 176.77 1xmo n LEU 62 N -4.10 0.18 0.13 2.23 4.77 -0.23 0.87 117.00 120.85 1xmo n LEU 62 Ca -0.01 1.01 -0.06 0.00 -0.03 0.00 0.00 56.01 56.92 1xmo n LEU 62 Cb 0.17 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1xmo n LEU 62 CO -0.02 -1.11 0.24 0.40 -1.33 0.00 0.00 177.39 175.57 1xmo h ILE 63 N 0.00 0.00 -1.15 -0.08 2.04 0.17 -2.24 117.51 116.25 1xmo h ILE 63 Ca 0.58 -0.32 0.33 0.00 1.00 0.00 0.00 64.86 66.45 1xmo h ILE 63 Cb 1.70 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1xmo h ILE 63 CO -0.41 0.00 1.01 0.44 0.00 0.00 0.00 178.15 179.20 1xmo h ASP 64 N -0.69 0.00 0.05 1.72 3.32 0.10 1.00 116.42 121.92 1xmo h ASP 64 Ca -0.04 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.83 1xmo h ASP 64 Cb 0.28 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.85 1xmo h ASP 64 CO 0.06 0.00 -0.75 0.11 -1.72 0.00 0.00 179.24 176.94 1xmo h LYS 65 N 0.00 0.43 -0.77 3.56 1.57 -0.74 -2.80 116.57 117.82 1xmo h LYS 65 Ca 0.55 -0.52 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1xmo h LYS 65 Cb 2.56 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 34.96 1xmo h LYS 65 CO -0.01 1.18 0.42 0.00 -0.57 0.00 0.00 179.45 180.48 1xmo h ALA 66 N 0.27 1.07 0.00 3.86 0.00 0.16 0.36 119.26 124.98 1xmo h ALA 66 Ca -0.11 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xmo h ALA 66 Cb 1.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1xmo h ALA 66 CO 0.15 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1xmo n ALA 67 N -2.38 1.63 0.18 0.00 0.00 -0.80 -1.74 120.51 117.39 1xmo n ALA 67 Ca 0.12 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.59 1xmo n ALA 67 Cb 0.26 -1.26 0.46 0.00 0.00 0.00 0.00 19.45 18.91 1xmo n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xmo h LYS 68 N 0.00 0.11 0.00 0.00 1.63 -0.00 -3.32 116.57 114.99 1xmo h LYS 68 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1xmo h LYS 68 Cb 0.26 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1xmo h LYS 68 CO 0.00 0.26 0.00 0.41 -3.45 0.00 0.00 179.45 176.67 1xmo n GLY 69 N -0.99 6.04 1.29 5.01 0.00 -0.71 -5.02 105.19 110.81 1xmo n GLY 69 Ca -0.02 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.91 1xmo n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xmo n SER 70 N -0.17 3.08 -0.07 1.61 3.41 -1.26 -3.56 113.62 116.66 1xmo n SER 70 Ca 0.00 -2.50 -0.11 0.00 -0.26 0.00 0.00 58.87 56.00 1xmo n SER 70 Cb 0.00 -0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 63.27 1xmo n SER 70 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1xmo h THR 71 N 0.82 0.84 0.00 6.66 2.02 -1.90 -3.44 112.91 117.91 1xmo h THR 71 Ca 0.14 -1.75 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 1xmo h THR 71 Cb 1.44 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1xmo h THR 71 CO 0.32 0.29 -1.04 0.18 0.37 0.00 0.00 175.52 175.64 1xmo n LEU 72 N -4.61 1.45 0.00 2.58 4.77 -1.23 -4.99 117.00 114.97 1xmo n LEU 72 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1xmo n LEU 72 Cb 0.37 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1xmo n LEU 72 CO 0.18 0.25 0.00 1.41 -1.33 0.00 0.00 177.39 177.90 1xmo n HIS 73 N -2.79 -0.92 -4.82 -1.77 8.25 -1.23 -4.53 115.22 107.41 1xmo n HIS 73 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1xmo n HIS 73 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1xmo n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xmo n LYS 74 N 0.00 0.00 0.04 -0.41 4.76 -1.26 -3.20 118.16 118.09 1xmo n LYS 74 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1xmo n LYS 74 Cb 0.00 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.27 1xmo n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1xmo n ASN 75 N -2.42 0.64 -0.30 4.39 4.13 -1.26 -3.85 115.26 116.59 1xmo n ASN 75 Ca 0.00 -0.11 0.14 0.00 1.68 0.00 0.00 54.58 56.29 1xmo n ASN 75 Cb 0.00 0.56 0.31 0.00 -1.54 0.00 0.00 39.78 39.11 1xmo n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xmo h ALA 76 N 2.55 1.38 0.01 5.41 0.00 -1.78 0.27 119.26 127.11 1xmo h ALA 76 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xmo h ALA 76 Cb 0.72 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1xmo h ALA 76 CO 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 179.25 178.82 1xmo h ALA 77 N 1.75 -0.87 -0.21 0.00 0.00 -1.65 -3.22 119.26 115.06 1xmo h ALA 77 Ca 0.57 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.49 1xmo h ALA 77 Cb 1.13 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1xmo h ALA 77 CO -0.60 -0.87 -0.12 0.00 0.00 0.00 0.00 179.25 177.66 1xmo n ALA 78 N -2.01 -0.13 -0.18 0.00 0.00 0.18 0.67 120.51 119.03 1xmo n ALA 78 Ca -0.00 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.56 1xmo n ALA 78 Cb 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 1xmo n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmo h ARG 79 N 0.00 -0.03 -0.28 0.00 3.08 -0.62 0.22 114.38 116.75 1xmo h ARG 79 Ca 0.03 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1xmo h ARG 79 Cb 0.09 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1xmo h ARG 79 CO -0.20 -0.02 -0.34 0.00 -1.07 0.00 0.00 179.97 178.34 1xmo h ARG 80 N -0.03 -0.21 -0.75 0.04 3.08 0.22 0.78 114.38 117.50 1xmo h ARG 80 Ca 0.07 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.27 1xmo h ARG 80 Cb 0.22 0.05 -0.14 0.00 0.08 0.00 0.00 29.97 30.18 1xmo h ARG 80 CO -0.43 -0.14 -0.31 0.87 -1.07 0.00 0.00 179.97 178.89 1xmo h LYS 81 N -0.22 -0.07 0.49 0.04 1.57 -0.98 1.13 116.57 118.53 1xmo h LYS 81 Ca 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1xmo h LYS 81 Cb 0.35 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1xmo h LYS 81 CO -0.38 -0.05 -0.40 1.03 -0.57 0.00 0.00 179.45 179.09 1xmo h SER 82 N -0.08 -1.05 -0.91 0.86 0.87 1.00 0.64 113.55 114.89 1xmo h SER 82 Ca 0.31 0.07 0.20 0.00 -1.23 0.00 0.00 61.79 61.14 1xmo h SER 82 Cb 0.57 0.33 -0.07 0.00 -0.44 0.00 0.00 62.40 62.80 1xmo h SER 82 CO -0.80 -0.56 0.59 0.03 -0.53 0.00 0.00 176.83 175.57 1xmo h ARG 83 N -0.86 0.45 0.18 2.24 3.08 0.18 0.73 114.38 120.38 1xmo h ARG 83 Ca -0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1xmo h ARG 83 Cb 0.72 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1xmo h ARG 83 CO 0.00 0.29 -0.09 1.25 -1.07 0.00 0.00 179.97 180.36 1xmo h LEU 84 N 0.46 -0.20 -1.57 3.04 7.12 0.19 -2.01 115.31 122.33 1xmo h LEU 84 Ca 0.47 -0.29 -0.03 0.00 0.13 0.00 0.00 57.88 58.17 1xmo h LEU 84 Cb 1.10 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 1xmo h LEU 84 CO -0.19 0.35 -0.01 0.24 -0.13 0.00 0.00 178.44 178.70 1xmo h MET 85 N -0.94 0.26 0.00 1.25 2.86 0.65 -0.95 114.93 118.06 1xmo h MET 85 Ca -0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1xmo h MET 85 Cb 0.48 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1xmo h MET 85 CO 0.04 0.29 0.00 -2.13 1.06 0.00 0.00 176.91 176.17 1xmo n ARG 86 N -4.38 0.00 -0.28 1.72 3.00 0.25 -2.22 116.66 114.76 1xmo n ARG 86 Ca -0.00 0.06 0.32 0.00 -0.00 0.00 0.00 57.85 58.23 1xmo n ARG 86 Cb 0.18 -0.91 0.57 0.00 0.00 0.00 0.00 32.46 32.29 1xmo n ARG 86 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1xmo h LYS 87 N 0.00 0.00 0.06 -0.14 1.57 -1.27 -1.36 116.57 115.43 1xmo h LYS 87 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1xmo h LYS 87 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1xmo h LYS 87 CO 0.00 0.00 -0.47 0.28 -0.57 0.00 0.00 179.45 178.69 1xmo h VAL 88 N 0.00 1.58 -0.28 0.50 2.07 -1.07 -2.51 116.25 116.53 1xmo h VAL 88 Ca 0.55 -2.30 -0.08 0.00 0.82 0.00 0.00 66.70 65.68 1xmo h VAL 88 Cb 2.84 3.07 -0.02 0.00 -1.52 0.00 0.00 31.29 35.67 1xmo h VAL 88 CO -0.01 0.64 -0.16 -0.09 0.02 0.00 0.00 177.57 177.97 1xmo h ARG 89 N -0.51 0.48 -0.43 1.57 2.43 -0.80 -1.22 114.38 115.91 1xmo h ARG 89 Ca -0.08 -0.15 0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1xmo h ARG 89 Cb 1.31 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.76 1xmo h ARG 89 CO 0.09 0.63 0.08 1.96 -1.51 0.00 0.00 179.97 181.23 1xmo h GLN 90 N 0.44 0.21 0.07 0.20 1.08 -1.37 -1.09 115.11 114.66 1xmo h GLN 90 Ca 0.08 -0.01 -0.25 0.00 -1.45 0.00 0.00 58.65 57.02 1xmo h GLN 90 Cb 0.54 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1xmo h GLN 90 CO 0.03 0.14 -1.11 -0.07 -0.95 0.00 0.00 178.83 176.87 1xmo h LEU 91 N 0.22 0.32 -2.39 1.46 3.38 -1.18 -2.83 115.31 114.28 1xmo h LEU 91 Ca 0.21 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1xmo h LEU 91 Cb 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1xmo h LEU 91 CO -0.27 1.22 0.10 -0.07 0.09 0.00 0.00 178.44 179.50 1xmo h LEU 92 N 0.07 0.00 -8.05 1.67 3.38 -0.85 -3.28 115.31 108.25 1xmo h LEU 92 Ca -0.09 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.51 1xmo h LEU 92 Cb 1.83 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.53 1xmo h LEU 92 CO 0.17 0.00 1.11 -1.61 0.09 0.00 0.00 178.44 178.20 1xmo s GLU 93 N -4.58 2.74 0.00 1.13 0.41 -0.45 -2.86 118.70 115.09 1xmo s GLU 93 Ca -0.05 -0.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.54 1xmo s GLU 93 Cb 0.15 -5.22 0.00 0.00 -1.78 0.00 0.00 34.13 27.27 1xmo s GLU 93 CO 0.53 -3.50 0.00 0.00 -0.49 0.00 0.00 175.26 171.80 1xmo n ALA 94 N 13.28 0.00 -2.94 5.21 0.00 -1.24 -4.99 120.51 129.83 1xmo n ALA 94 Ca 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.75 1xmo n ALA 94 Cb 0.47 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.98 1xmo n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmo n ALA 95 N 0.00 -2.03 0.06 0.00 0.00 -1.25 -4.90 120.51 112.39 1xmo n ALA 95 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1xmo n ALA 95 Cb 0.00 -4.38 0.00 0.00 0.00 0.00 0.00 19.45 15.07 1xmo n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmo n GLY 96 N -1.26 -0.09 2.55 0.00 0.00 -1.14 -4.98 105.19 100.28 1xmo n GLY 96 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1xmo n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmo n ALA 97 N -3.30 -3.30 -1.00 4.61 0.00 -1.26 -4.44 120.51 111.82 1xmo n ALA 97 Ca 0.00 0.58 -0.04 0.00 0.00 0.00 0.00 53.44 53.98 1xmo n ALA 97 Cb 0.11 -1.51 -0.04 0.00 0.00 0.00 0.00 19.45 18.01 1xmo n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xmo n PRO 98 N 0.33 0.00 0.00 0.00 -0.04 -1.26 -4.75 135.00 129.28 1xmo n PRO 98 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1xmo n PRO 98 Cb 0.11 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1xmo n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xmo n LEU 99 N 4.27 0.00 0.00 1.53 4.77 -1.26 -2.16 117.00 124.15 1xmo n LEU 99 Ca 0.12 0.25 0.09 0.00 -0.03 0.00 0.00 56.01 56.44 1xmo n LEU 99 Cb 0.39 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 42.03 1xmo n LEU 99 CO 0.56 0.00 0.75 -0.38 -1.33 0.00 0.00 177.39 176.99 1xmo n ILE 100 N -0.40 0.00 -2.51 -0.08 5.41 -1.26 -4.83 119.36 115.69 1xmo n ILE 100 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1xmo n ILE 100 Cb 0.00 -0.70 -0.02 0.00 -0.71 0.00 0.00 39.64 38.20 1xmo n ILE 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xmo n GLY 101 N 0.16 -0.08 0.17 7.39 0.00 -0.92 -4.62 105.19 107.30 1xmo n GLY 101 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1xmo n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmo n GLY 102 N -0.88 -0.91 2.54 -0.02 0.00 -1.26 -3.15 105.19 101.50 1xmo n GLY 102 Ca -0.00 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 1xmo n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmo n GLY 103 N -1.23 1.51 2.92 -0.02 0.00 -1.26 -5.07 105.19 102.03 1xmo n GLY 103 Ca 0.05 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 1xmo n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xmo s LEU 104 N -1.87 0.27 0.76 0.99 1.43 -1.19 -5.05 118.68 114.03 1xmo s LEU 104 Ca 0.30 0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 53.63 1xmo s LEU 104 Cb 0.28 0.41 0.06 0.00 0.03 0.00 0.00 46.19 46.97 1xmo s LEU 104 CO -0.10 -0.20 1.22 -0.44 0.23 0.00 0.00 176.35 177.06 1xmo s SER 105 N 1.74 3.89 0.00 2.29 0.01 -1.26 -4.93 113.70 115.45 1xmo s SER 105 Ca -0.03 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.63 1xmo s SER 105 Cb -0.12 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1xmo s SER 105 CO -0.06 -2.47 0.29 0.00 0.41 0.00 0.00 173.24 171.41