#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lnw s TYR 3 N 0.00 -0.20 0.45 3.10 2.02 -1.26 -5.14 117.35 116.32 1lnw s TYR 3 Ca 0.00 0.20 -0.25 0.00 -0.37 0.00 0.00 57.07 56.65 1lnw s TYR 3 Cb 0.00 0.14 -0.08 0.00 -0.40 0.00 0.00 41.96 41.62 1lnw s TYR 3 CO 0.00 -0.48 1.40 -0.35 -1.57 0.00 0.00 175.55 174.54 1lnw n PRO 4 N 0.83 2.16 -3.03 -1.71 -0.04 -1.26 -4.93 135.00 127.03 1lnw n PRO 4 Ca -0.20 0.77 -0.41 0.00 -0.04 0.00 0.00 63.50 63.62 1lnw n PRO 4 Cb 0.58 -2.58 -0.06 0.00 -0.04 0.00 0.00 33.50 31.40 1lnw n PRO 4 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1lnw s VAL 5 N -1.20 4.93 -0.18 0.52 1.01 -1.26 -5.01 120.40 119.21 1lnw s VAL 5 Ca 0.62 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 63.60 1lnw s VAL 5 Cb -0.46 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 1lnw s VAL 5 CO 0.57 -0.01 2.01 0.21 0.00 0.00 0.00 175.10 177.88 1lnw s ASN 6 N 1.42 5.87 0.66 3.32 3.84 -1.26 -4.85 114.94 123.93 1lnw s ASN 6 Ca 0.29 1.93 0.31 0.00 0.21 0.00 0.00 52.86 55.60 1lnw s ASN 6 Cb -0.15 -2.52 1.67 0.00 -0.55 0.00 0.00 41.25 39.70 1lnw s ASN 6 CO 0.08 -1.63 1.96 -0.65 -2.79 0.00 0.00 177.10 174.07 1lnw h PRO 7 N 13.14 0.00 0.00 0.43 0.11 -2.05 -1.31 132.00 142.32 1lnw h PRO 7 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1lnw h PRO 7 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1lnw h PRO 7 CO 0.97 0.00 -0.42 -0.44 -0.21 0.00 0.00 178.00 177.91 1lnw h ASP 8 N 0.00 0.00 0.00 -2.05 3.32 -2.05 -3.41 116.42 112.24 1lnw h ASP 8 Ca 0.02 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1lnw h ASP 8 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1lnw h ASP 8 CO -0.00 0.04 0.00 0.18 -1.72 0.00 0.00 179.24 177.74 1lnw n LEU 9 N -2.42 0.02 0.00 1.55 4.77 -0.50 -1.63 117.00 118.80 1lnw n LEU 9 Ca 0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1lnw n LEU 9 Cb 0.47 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1lnw n LEU 9 CO 0.35 0.00 0.00 -2.65 -1.33 0.00 0.00 177.39 173.76 1lnw n PRO 11 N 0.41 0.00 -0.21 3.23 -0.02 -1.26 -1.35 135.00 135.79 1lnw n PRO 11 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 1lnw n PRO 11 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 33.54 1lnw n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lnw h ALA 12 N 0.00 0.93 0.00 3.55 0.00 -1.67 -1.63 119.26 120.44 1lnw h ALA 12 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1lnw h ALA 12 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1lnw h ALA 12 CO 0.00 0.66 0.00 -0.11 0.00 0.00 0.00 179.25 179.80 1lnw n LEU 13 N -4.20 0.78 0.00 0.00 -0.00 -0.46 -2.65 117.00 110.46 1lnw n LEU 13 Ca 0.04 -0.39 0.00 0.00 -0.00 0.00 0.00 56.01 55.66 1lnw n LEU 13 Cb 0.31 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1lnw n LEU 13 CO 0.43 0.15 0.00 0.00 -0.00 0.00 0.00 177.39 177.97 1lnw n ALA 15 N 0.51 0.00 -0.16 1.96 0.00 -0.61 -1.61 120.51 120.60 1lnw n ALA 15 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1lnw n ALA 15 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 1lnw n ALA 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lnw h VAL 16 N 0.00 1.26 0.63 0.00 2.07 -1.77 -1.69 116.25 116.74 1lnw h VAL 16 Ca 0.00 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1lnw h VAL 16 Cb 0.00 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1lnw h VAL 16 CO 0.00 0.36 -0.34 -0.26 0.02 0.00 0.00 177.57 177.34 1lnw h PHE 17 N 0.65 -0.90 -0.54 1.57 0.05 -1.61 -0.66 116.94 115.51 1lnw h PHE 17 Ca 0.13 -0.01 0.09 0.00 3.82 0.00 0.00 57.97 62.00 1lnw h PHE 17 Cb 0.48 0.31 -0.07 0.00 2.00 0.00 0.00 35.95 38.67 1lnw h PHE 17 CO 0.04 -0.54 0.13 1.96 -0.18 0.00 0.00 178.31 179.72 1lnw h GLN 18 N -0.90 0.27 -0.13 1.51 1.08 -1.84 0.22 115.11 115.32 1lnw h GLN 18 Ca -0.08 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1lnw h GLN 18 Cb 0.71 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1lnw h GLN 18 CO 0.11 0.18 0.02 1.25 -0.95 0.00 0.00 178.83 179.44 1lnw h HIS 19 N 0.28 0.17 0.07 2.96 2.76 -1.14 -0.75 115.15 119.50 1lnw h HIS 19 Ca 0.27 -0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.28 1lnw h HIS 19 Cb 0.36 -0.05 0.02 0.00 1.55 0.00 0.00 27.41 29.29 1lnw h HIS 19 CO -0.22 0.17 -0.68 0.28 -1.30 0.00 0.00 177.93 176.18 1lnw h VAL 20 N 0.17 1.48 -0.26 5.26 2.07 0.80 -2.90 116.25 122.88 1lnw h VAL 20 Ca 0.04 -2.30 -0.02 0.00 0.82 0.00 0.00 66.70 65.24 1lnw h VAL 20 Cb 0.09 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1lnw h VAL 20 CO -0.00 0.66 0.08 -0.09 0.02 0.00 0.00 177.57 178.24 1lnw h ARG 21 N -0.26 0.41 -0.84 1.57 2.43 -0.53 -1.09 114.38 116.06 1lnw h ARG 21 Ca -0.10 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1lnw h ARG 21 Cb 1.46 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.89 1lnw h ARG 21 CO 0.13 0.48 0.52 1.15 -1.51 0.00 0.00 179.97 180.74 1lnw h THR 22 N 0.26 1.04 -0.23 0.20 2.02 -1.25 -0.17 112.91 114.78 1lnw h THR 22 Ca 0.09 -0.33 -0.18 0.00 0.77 0.00 0.00 66.41 66.76 1lnw h THR 22 Cb 0.24 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1lnw h THR 22 CO -0.00 0.17 -0.56 -0.09 0.37 0.00 0.00 175.52 175.42 1lnw h ARG 23 N 0.95 0.78 0.41 6.66 9.65 -1.34 -2.14 114.38 129.35 1lnw h ARG 23 Ca 0.37 -0.53 -0.02 0.00 -1.10 0.00 0.00 59.98 58.69 1lnw h ARG 23 Cb 0.16 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1lnw h ARG 23 CO -0.17 1.16 -0.19 0.82 2.80 0.00 0.00 179.97 184.38 1lnw h ILE 24 N 0.52 0.59 -0.62 1.20 2.04 -0.79 -2.16 117.51 118.29 1lnw h ILE 24 Ca -0.00 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1lnw h ILE 24 Cb 1.17 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1lnw h ILE 24 CO 0.12 0.05 0.41 1.56 0.00 0.00 0.00 178.15 180.29 1lnw h GLN 25 N -0.70 0.69 -0.11 2.37 1.08 -1.13 -0.06 115.11 117.25 1lnw h GLN 25 Ca -0.06 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1lnw h GLN 25 Cb 0.50 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1lnw h GLN 25 CO 0.09 0.46 0.04 1.03 -0.95 0.00 0.00 178.83 179.50 1lnw h SER 26 N 0.71 0.06 0.41 1.46 0.87 -1.23 -0.99 113.55 114.84 1lnw h SER 26 Ca 0.25 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.65 1lnw h SER 26 Cb 0.12 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1lnw h SER 26 CO -0.07 0.05 -0.71 -0.33 -0.53 0.00 0.00 176.83 175.24 1lnw h GLU 27 N 0.10 0.26 -0.72 2.24 5.08 -0.72 -2.04 114.58 118.79 1lnw h GLU 27 Ca 0.05 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1lnw h GLU 27 Cb 0.02 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1lnw h GLU 27 CO -0.04 0.86 0.26 -0.07 -1.00 0.00 0.00 179.01 179.02 1lnw h LEU 28 N 0.17 1.00 -0.06 1.33 3.38 -0.80 -1.23 115.31 119.10 1lnw h LEU 28 Ca -0.02 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1lnw h LEU 28 Cb 1.26 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1lnw h LEU 28 CO 0.11 0.90 -0.31 0.44 0.09 0.00 0.00 178.44 179.67 1lnw h ASP 29 N 1.05 0.39 -0.29 -0.43 3.32 -1.13 -0.51 116.42 118.81 1lnw h ASP 29 Ca 0.24 -0.65 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1lnw h ASP 29 Cb 0.24 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1lnw h ASP 29 CO -0.02 0.97 0.12 0.00 -1.72 0.00 0.00 179.24 178.59 1lnw n GLN 31 N -4.38 1.56 -3.93 0.00 1.13 -0.47 -4.93 117.38 106.36 1lnw n GLN 31 Ca 0.02 -0.85 -0.27 0.00 -1.94 0.00 0.00 57.00 53.96 1lnw n GLN 31 Cb 0.16 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.17 1lnw n GLN 31 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1lnw n ARG 32 N 0.09 -4.21 0.00 -1.09 1.74 0.52 -4.88 116.66 108.83 1lnw n ARG 32 Ca 0.14 0.50 0.12 0.00 -0.77 0.00 0.00 57.85 57.84 1lnw n ARG 32 Cb 0.26 -5.02 0.29 0.00 -1.02 0.00 0.00 32.46 26.97 1lnw n ARG 32 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1lnw n LEU 33 N -4.44 0.45 -3.90 0.55 4.77 -0.23 -4.97 117.00 109.24 1lnw n LEU 33 Ca -0.16 0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.64 1lnw n LEU 33 Cb 0.61 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1lnw n LEU 33 CO 0.75 0.10 -0.20 -0.67 -1.33 0.00 0.00 177.39 176.04 1lnw n ASP 34 N -1.54 -0.76 -4.24 -1.43 4.64 -1.25 -4.98 116.55 106.99 1lnw n ASP 34 Ca 0.06 -0.99 -0.14 0.00 -1.38 0.00 0.00 54.79 52.34 1lnw n ASP 34 Cb 0.34 -3.19 -0.10 0.00 -1.04 0.00 0.00 41.12 37.13 1lnw n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1lnw s LEU 35 N -6.90 2.20 0.31 -2.67 1.43 -1.26 -5.13 118.68 106.66 1lnw s LEU 35 Ca 0.04 -1.15 0.07 0.00 -1.03 0.00 0.00 54.13 52.06 1lnw s LEU 35 Cb -0.01 -0.11 -0.06 0.00 0.03 0.00 0.00 46.19 46.04 1lnw s LEU 35 CO 0.88 -0.53 -0.06 0.42 0.23 0.00 0.00 176.35 177.28 1lnw s THR 36 N -3.60 1.82 0.26 5.49 -4.23 -1.26 -4.79 115.64 109.34 1lnw s THR 36 Ca 0.23 -2.14 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1lnw s THR 36 Cb 0.06 -2.54 0.25 0.00 1.34 0.00 0.00 72.50 71.60 1lnw s THR 36 CO 0.03 -0.25 1.75 -0.65 -0.54 0.00 0.00 174.62 174.97 1lnw h PRO 37 N 2.17 0.58 -0.99 3.99 0.11 -1.97 -0.55 132.00 135.34 1lnw h PRO 37 Ca -0.41 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.73 1lnw h PRO 37 Cb 1.24 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 1lnw h PRO 37 CO 0.69 0.38 0.64 -1.35 -0.21 0.00 0.00 178.00 178.14 1lnw h PRO 38 N 0.59 1.13 -0.36 1.05 0.11 -1.99 0.17 132.00 132.71 1lnw h PRO 38 Ca 0.47 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 1lnw h PRO 38 Cb 0.69 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1lnw h PRO 38 CO -0.38 0.75 0.20 -0.44 -0.21 0.00 0.00 178.00 177.92 1lnw h ASP 39 N 1.17 0.45 -0.70 -2.05 3.32 -1.53 -0.82 116.42 116.26 1lnw h ASP 39 Ca 0.42 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.42 1lnw h ASP 39 Cb 0.14 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1lnw h ASP 39 CO -0.17 0.40 0.43 0.58 -1.72 0.00 0.00 179.24 178.77 1lnw h VAL 40 N 0.46 1.06 0.11 -1.35 2.07 -0.33 -1.73 116.25 116.54 1lnw h VAL 40 Ca 0.13 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1lnw h VAL 40 Cb 0.05 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1lnw h VAL 40 CO -0.02 0.15 -0.05 -0.74 0.02 0.00 0.00 177.57 176.93 1lnw h HIS 41 N 0.82 -0.14 -0.04 1.57 -0.00 -0.29 -1.92 115.15 115.15 1lnw h HIS 41 Ca 0.29 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.69 1lnw h HIS 41 Cb 0.07 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.48 1lnw h HIS 41 CO -0.05 -0.05 -0.24 0.28 -0.00 0.00 0.00 177.93 177.87 1lnw h VAL 42 N -0.19 0.44 -0.83 5.26 2.07 -0.88 -0.48 116.25 121.63 1lnw h VAL 42 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1lnw h VAL 42 Cb 0.15 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1lnw h VAL 42 CO 0.03 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.09 1lnw h LEU 43 N -0.36 0.80 -0.30 2.57 3.38 -1.28 -1.64 115.31 118.49 1lnw h LEU 43 Ca 0.07 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1lnw h LEU 43 Cb 0.46 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1lnw h LEU 43 CO -0.24 0.51 0.13 0.50 0.09 0.00 0.00 178.44 179.43 1lnw h LYS 44 N 0.90 0.44 -0.59 1.13 3.64 -0.44 -2.06 116.57 119.58 1lnw h LYS 44 Ca 0.36 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1lnw h LYS 44 Cb 0.25 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1lnw h LYS 44 CO -0.13 0.43 0.18 -0.07 -2.27 0.00 0.00 179.45 177.59 1lnw h LEU 45 N 0.34 0.83 -0.51 5.20 3.38 -0.40 -1.20 115.31 122.94 1lnw h LEU 45 Ca 0.10 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1lnw h LEU 45 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1lnw h LEU 45 CO -0.01 0.78 -0.24 0.40 0.09 0.00 0.00 178.44 179.46 1lnw h ILE 46 N 0.87 1.27 -0.36 1.22 2.04 -1.18 -2.43 117.51 118.94 1lnw h ILE 46 Ca 0.20 -1.40 -0.17 0.00 1.00 0.00 0.00 64.86 64.49 1lnw h ILE 46 Cb 0.26 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1lnw h ILE 46 CO -0.01 0.48 -0.43 -0.78 0.00 0.00 0.00 178.15 177.41 1lnw h ASP 47 N 0.82 1.00 0.74 1.72 3.58 -1.10 -3.01 116.42 120.16 1lnw h ASP 47 Ca 0.10 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1lnw h ASP 47 Cb 0.81 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1lnw h ASP 47 CO 0.07 1.28 0.00 -0.62 -2.88 0.00 0.00 179.24 177.09 1lnw n GLU 48 N -4.04 0.00 -3.44 0.28 1.02 -0.48 -4.33 120.64 109.65 1lnw n GLU 48 Ca -0.03 0.13 -0.28 0.00 -0.02 0.00 0.00 57.16 56.96 1lnw n GLU 48 Cb 0.57 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.38 1lnw n GLU 48 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1lnw s GLN 49 N -3.00 0.60 0.18 3.49 -0.21 -0.92 -5.08 119.66 114.73 1lnw s GLN 49 Ca 0.10 -1.43 -0.33 0.00 0.02 0.00 0.00 55.36 53.73 1lnw s GLN 49 Cb 0.14 -1.28 -0.15 0.00 1.00 0.00 0.00 33.01 32.72 1lnw s GLN 49 CO 0.39 -1.24 1.20 0.54 -2.12 0.00 0.00 175.29 174.06 1lnw n ARG 50 N 3.86 1.29 -1.53 2.91 1.74 -1.25 -1.51 116.66 122.17 1lnw n ARG 50 Ca 0.15 0.46 -0.18 0.00 -0.77 0.00 0.00 57.85 57.50 1lnw n ARG 50 Cb 0.39 -1.98 -0.08 0.00 -1.02 0.00 0.00 32.46 29.77 1lnw n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lnw n GLY 51 N 2.04 1.78 3.49 -0.13 0.00 -1.09 -4.91 105.19 106.36 1lnw n GLY 51 Ca 0.15 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1lnw n GLY 51 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1lnw n LEU 52 N -2.09 0.23 -4.95 0.99 7.94 -0.57 -3.80 117.00 114.75 1lnw n LEU 52 Ca -0.18 1.10 -0.24 0.00 -1.11 0.00 0.00 56.01 55.58 1lnw n LEU 52 Cb 0.63 -1.12 -0.01 0.00 0.53 0.00 0.00 43.42 43.45 1lnw n LEU 52 CO 0.28 -2.34 0.13 0.21 -1.11 0.00 0.00 177.39 174.56 1lnw s ASN 53 N -0.81 6.30 0.33 1.96 3.84 -1.26 0.74 114.94 126.04 1lnw s ASN 53 Ca 0.61 0.39 0.03 0.00 0.21 0.00 0.00 52.86 54.10 1lnw s ASN 53 Cb -0.76 -2.00 0.57 0.00 -0.55 0.00 0.00 41.25 38.50 1lnw s ASN 53 CO 0.58 -0.25 1.89 -0.07 -2.79 0.00 0.00 177.10 176.46 1lnw h LEU 54 N 0.88 0.59 -0.47 3.21 4.07 -1.94 -1.91 115.31 119.75 1lnw h LEU 54 Ca -0.50 -0.09 -0.13 0.00 0.08 0.00 0.00 57.88 57.24 1lnw h LEU 54 Cb 1.22 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1lnw h LEU 54 CO 0.62 0.60 -0.22 0.06 -1.08 0.00 0.00 178.44 178.42 1lnw h GLN 55 N 0.63 0.97 -0.70 1.13 3.07 -1.95 0.27 115.11 118.54 1lnw h GLN 55 Ca 0.14 -0.42 -0.05 0.00 0.09 0.00 0.00 58.65 58.41 1lnw h GLN 55 Cb 0.25 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.75 1lnw h GLN 55 CO -0.00 1.09 0.24 -0.44 0.09 0.00 0.00 178.83 179.81 1lnw h ASP 56 N 0.82 0.99 0.12 0.06 3.45 -1.91 0.17 116.42 120.12 1lnw h ASP 56 Ca 0.11 -0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.37 1lnw h ASP 56 Cb 0.80 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1lnw h ASP 56 CO 0.07 0.92 -0.06 0.25 -1.57 0.00 0.00 179.24 178.85 1lnw h LEU 57 N 1.01 -0.14 -0.89 1.55 5.85 -1.17 -1.15 115.31 120.36 1lnw h LEU 57 Ca 0.23 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.89 1lnw h LEU 57 Cb 0.26 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 1lnw h LEU 57 CO -0.01 0.07 0.54 1.23 -0.34 0.00 0.00 178.44 179.93 1lnw h GLY 58 N -0.35 1.40 0.91 3.75 0.00 -0.69 -2.23 103.07 105.87 1lnw h GLY 58 Ca -0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1lnw h GLY 58 CO 0.03 0.18 0.11 -0.09 0.00 0.00 0.00 176.54 176.76 1lnw h ARG 59 N 0.91 0.51 -1.28 4.80 2.43 -0.44 0.82 114.38 122.12 1lnw h ARG 59 Ca 0.42 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1lnw h ARG 59 Cb 0.35 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1lnw h ARG 59 CO -0.23 0.54 0.00 1.04 -1.51 0.00 0.00 179.97 179.80 1lnw n GLN 60 N -4.67 0.33 0.00 0.20 6.02 -0.46 -4.73 117.38 114.07 1lnw n GLN 60 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1lnw n GLN 60 Cb 0.16 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1lnw n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lnw s ARG 63 N 0.00 1.05 0.37 0.00 1.81 -0.89 -5.12 118.95 116.17 1lnw s ARG 63 Ca 0.00 -1.04 -0.28 0.00 -1.72 0.00 0.00 55.73 52.69 1lnw s ARG 63 Cb 0.00 -1.20 -0.11 0.00 -0.45 0.00 0.00 34.95 33.19 1lnw s ARG 63 CO 0.00 0.28 1.42 -0.51 -0.68 0.00 0.00 175.30 175.81 1lnw s ASP 64 N -1.69 6.45 0.26 0.23 1.01 -1.26 -4.61 116.67 117.05 1lnw s ASP 64 Ca 0.04 2.92 -0.02 0.00 0.71 0.00 0.00 52.55 56.19 1lnw s ASP 64 Cb -0.10 -2.66 0.52 0.00 1.01 0.00 0.00 42.92 41.69 1lnw s ASP 64 CO 0.03 -0.79 1.72 0.07 0.21 0.00 0.00 175.17 176.42 1lnw h LYS 65 N 3.07 0.44 -0.94 8.23 2.10 -1.94 -0.56 116.57 126.97 1lnw h LYS 65 Ca -0.50 -0.03 0.09 0.00 -2.00 0.00 0.00 60.65 58.21 1lnw h LYS 65 Cb 1.24 -0.10 -0.07 0.00 -0.90 0.00 0.00 32.23 32.40 1lnw h LYS 65 CO 0.64 0.29 0.58 0.00 -2.00 0.00 0.00 179.45 178.96 1lnw h ALA 66 N 1.58 1.34 -0.15 0.07 0.00 -2.00 -1.24 119.26 118.86 1lnw h ALA 66 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.22 1lnw h ALA 66 Cb 0.71 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1lnw h ALA 66 CO -0.43 0.28 -0.50 1.25 0.00 0.00 0.00 179.25 179.85 1lnw h LEU 67 N 1.01 0.43 -0.22 0.00 5.85 -1.49 -2.91 115.31 117.97 1lnw h LEU 67 Ca 0.43 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1lnw h LEU 67 Cb 0.29 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1lnw h LEU 67 CO -0.21 0.86 -0.01 0.40 -0.34 0.00 0.00 178.44 179.14 1lnw h ILE 68 N 0.32 1.26 -0.93 4.05 1.08 -0.57 -2.45 117.51 120.27 1lnw h ILE 68 Ca 0.01 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.57 1lnw h ILE 68 Cb 0.99 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 36.10 1lnw h ILE 68 CO 0.09 0.28 0.55 0.74 -0.69 0.00 0.00 178.15 179.11 1lnw h THR 69 N 0.16 1.26 -0.63 -0.27 2.02 -1.30 0.14 112.91 114.30 1lnw h THR 69 Ca 0.06 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1lnw h THR 69 Cb 0.42 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 1lnw h THR 69 CO 0.01 0.27 0.31 -0.09 0.37 0.00 0.00 175.52 176.40 1lnw h ARG 70 N 1.28 0.90 -0.57 6.66 2.43 -1.48 0.62 114.38 124.23 1lnw h ARG 70 Ca 0.33 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1lnw h ARG 70 Cb -0.04 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.31 1lnw h ARG 70 CO -0.06 0.72 0.34 -0.22 -1.51 0.00 0.00 179.97 179.24 1lnw h LYS 71 N 0.87 0.65 -0.68 0.20 1.63 -0.72 -1.67 116.57 116.84 1lnw h LYS 71 Ca 0.22 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.91 1lnw h LYS 71 Cb 0.10 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 1lnw h LYS 71 CO -0.03 0.43 0.17 0.82 -3.45 0.00 0.00 179.45 177.39 1lnw h ILE 72 N 0.67 1.26 -0.75 2.00 1.08 -0.05 -2.25 117.51 119.46 1lnw h ILE 72 Ca 0.23 -0.94 -0.03 0.00 -0.39 0.00 0.00 64.86 63.73 1lnw h ILE 72 Cb 0.04 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 1lnw h ILE 72 CO -0.11 0.36 0.34 0.03 -0.69 0.00 0.00 178.15 178.08 1lnw h ARG 73 N 1.02 1.09 -0.66 2.37 3.08 -0.29 -0.66 114.38 120.34 1lnw h ARG 73 Ca 0.22 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1lnw h ARG 73 Cb 0.35 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1lnw h ARG 73 CO 0.00 0.85 0.43 1.49 -1.07 0.00 0.00 179.97 181.68 1lnw h GLU 74 N 1.07 0.86 -0.51 0.04 4.81 -0.90 -0.33 114.58 119.62 1lnw h GLU 74 Ca 0.26 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1lnw h GLU 74 Cb 0.15 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1lnw h GLU 74 CO -0.03 0.58 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.65 1lnw h LEU 75 N 0.89 0.96 -0.85 1.64 3.38 -0.81 -2.68 115.31 117.84 1lnw h LEU 75 Ca 0.24 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1lnw h LEU 75 Cb -0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 1lnw h LEU 75 CO -0.05 1.08 -0.33 -0.33 0.09 0.00 0.00 178.44 178.89 1lnw h GLU 76 N 0.86 0.45 0.00 1.13 5.08 -0.89 -1.59 114.58 119.62 1lnw h GLU 76 Ca 0.14 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1lnw h GLU 76 Cb 0.66 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1lnw h GLU 76 CO 0.05 0.73 0.11 0.78 -1.00 0.00 0.00 179.01 179.68 1lnw h GLY 77 N 1.08 0.00 -0.80 -3.84 0.00 -0.70 0.64 103.07 99.44 1lnw h GLY 77 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1lnw h GLY 77 CO 0.06 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.14 1lnw n ARG 78 N -2.40 2.44 -3.89 4.80 1.74 -0.71 -4.98 116.66 113.65 1lnw n ARG 78 Ca -0.02 -2.40 -0.27 0.00 -0.77 0.00 0.00 57.85 54.39 1lnw n ARG 78 Cb 0.15 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.10 1lnw n ARG 78 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1lnw n ASN 79 N -0.60 -2.36 -0.05 0.55 5.15 0.22 -4.87 115.26 113.30 1lnw n ASN 79 Ca 0.14 -0.88 -0.05 0.00 -0.60 0.00 0.00 54.58 53.20 1lnw n ASN 79 Cb 0.63 -3.60 -0.09 0.00 -0.53 0.00 0.00 39.78 36.19 1lnw n ASN 79 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1lnw n LEU 80 N -4.45 0.00 -4.18 1.20 4.77 -0.68 -4.23 117.00 109.42 1lnw n LEU 80 Ca -0.15 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.60 1lnw n LEU 80 Cb 0.61 0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.81 1lnw n LEU 80 CO 0.74 0.26 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.88 1lnw s VAL 81 N -2.31 1.38 0.05 4.08 1.01 -1.23 -2.20 120.40 121.18 1lnw s VAL 81 Ca -0.05 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1lnw s VAL 81 Cb 0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1lnw s VAL 81 CO 0.46 0.21 -0.24 -0.60 0.00 0.00 0.00 175.10 174.93 1lnw s ARG 82 N -0.88 1.57 0.06 2.72 3.52 0.73 -4.25 118.95 122.42 1lnw s ARG 82 Ca 0.05 -1.05 0.08 0.00 -0.13 0.00 0.00 55.73 54.68 1lnw s ARG 82 Cb -0.08 -1.75 -0.03 0.00 -1.56 0.00 0.00 34.95 31.53 1lnw s ARG 82 CO 0.01 0.45 -0.22 1.03 -0.81 0.00 0.00 175.30 175.76 1lnw s ARG 83 N -1.29 1.88 -0.04 5.12 0.52 -1.26 -1.12 118.95 122.76 1lnw s ARG 83 Ca 0.10 -1.09 -0.01 0.00 -0.52 0.00 0.00 55.73 54.21 1lnw s ARG 83 Cb -0.09 -2.08 0.03 0.00 0.52 0.00 0.00 34.95 33.32 1lnw s ARG 83 CO 0.02 0.51 0.07 -1.21 0.02 0.00 0.00 175.30 174.72 1lnw s GLU 84 N -1.52 0.03 0.21 3.54 2.02 -0.62 -4.96 118.70 117.39 1lnw s GLU 84 Ca 0.14 0.23 -0.32 0.00 0.02 0.00 0.00 54.97 55.04 1lnw s GLU 84 Cb -0.10 -0.17 -0.12 0.00 0.10 0.00 0.00 34.13 33.84 1lnw s GLU 84 CO 0.05 -0.14 1.70 1.03 0.02 0.00 0.00 175.26 177.92 1lnw s ARG 85 N 0.89 4.13 0.02 1.61 0.52 -1.26 0.17 118.95 125.04 1lnw s ARG 85 Ca -0.07 2.58 -0.30 0.00 -0.52 0.00 0.00 55.73 57.42 1lnw s ARG 85 Cb -0.10 -3.08 -0.08 0.00 0.52 0.00 0.00 34.95 32.21 1lnw s ARG 85 CO -0.03 -0.73 1.91 1.21 0.02 0.00 0.00 175.30 177.68 1lnw s ASN 86 N 1.15 6.48 0.30 0.23 3.84 -1.23 -4.80 114.94 120.91 1lnw s ASN 86 Ca 0.74 2.60 0.06 0.00 0.21 0.00 0.00 52.86 56.47 1lnw s ASN 86 Cb -0.49 -2.53 0.49 0.00 -0.55 0.00 0.00 41.25 38.16 1lnw s ASN 86 CO 0.33 -1.03 1.74 1.55 -2.79 0.00 0.00 177.10 176.89 1lnw h PRO 87 N 10.36 0.31 0.00 0.43 0.13 -1.92 0.79 132.00 142.10 1lnw h PRO 87 Ca -0.48 -0.13 -0.19 0.00 -0.87 0.00 0.00 66.00 64.33 1lnw h PRO 87 Cb 1.23 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1lnw h PRO 87 CO 0.94 0.61 -1.10 1.03 -0.23 0.00 0.00 178.00 179.25 1lnw h SER 88 N 0.27 0.00 0.00 1.44 0.87 -1.99 -3.38 113.55 110.76 1lnw h SER 88 Ca 0.03 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.24 1lnw h SER 88 Cb 0.71 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.61 1lnw h SER 88 CO 0.05 0.79 -2.35 -0.67 -0.53 0.00 0.00 176.83 174.13 1lnw n ASP 89 N -3.17 1.28 -3.13 6.23 -0.08 -1.17 -5.06 116.55 111.45 1lnw n ASP 89 Ca -0.05 -0.07 -0.07 0.00 -1.51 0.00 0.00 54.79 53.10 1lnw n ASP 89 Cb 0.89 0.24 0.00 0.00 2.34 0.00 0.00 41.12 44.60 1lnw n ASP 89 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1lnw n GLN 90 N -2.97 -1.60 0.00 -0.67 7.27 0.27 -4.81 117.38 114.87 1lnw n GLN 90 Ca -0.37 1.53 0.00 0.00 0.07 0.00 0.00 57.00 58.22 1lnw n GLN 90 Cb 1.03 -5.13 0.00 0.00 2.41 0.00 0.00 30.24 28.56 1lnw n GLN 90 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1lnw n ARG 91 N -1.51 0.00 -2.63 3.69 0.63 -1.26 -5.02 116.66 110.56 1lnw n ARG 91 Ca -0.02 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.48 1lnw n ARG 91 Cb 0.53 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.42 1lnw n ARG 91 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1lnw s SER 92 N -4.00 6.83 1.08 6.15 1.04 -1.26 -4.75 113.70 118.79 1lnw s SER 92 Ca 0.00 0.86 -0.15 0.00 0.48 0.00 0.00 55.95 57.13 1lnw s SER 92 Cb 0.00 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.81 1lnw s SER 92 CO 0.00 -0.99 1.11 0.72 0.98 0.00 0.00 173.24 175.06 1lnw s PHE 93 N 3.89 1.43 0.18 5.02 -0.12 -1.26 -3.57 117.98 123.54 1lnw s PHE 93 Ca 0.46 0.74 0.10 0.00 -0.05 0.00 0.00 56.93 58.18 1lnw s PHE 93 Cb -0.11 -3.38 -0.04 0.00 -0.63 0.00 0.00 43.02 38.86 1lnw s PHE 93 CO 0.20 -3.29 -0.14 -0.65 -0.05 0.00 0.00 175.22 171.29 1lnw s GLN 94 N -5.19 1.88 -0.08 1.99 -0.21 0.13 -4.29 119.66 113.89 1lnw s GLN 94 Ca 0.68 -1.33 -0.01 0.00 0.02 0.00 0.00 55.36 54.72 1lnw s GLN 94 Cb -0.14 -2.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.77 1lnw s GLN 94 CO 0.57 0.43 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.62 1lnw s LEU 95 N -2.71 3.35 0.04 2.90 1.43 0.23 -1.59 118.68 122.33 1lnw s LEU 95 Ca 0.23 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1lnw s LEU 95 Cb -0.09 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1lnw s LEU 95 CO 0.13 0.36 -0.03 -0.36 0.23 0.00 0.00 176.35 176.69 1lnw s PHE 96 N -0.80 0.43 -0.03 0.29 0.40 -0.27 -2.68 117.98 115.32 1lnw s PHE 96 Ca 0.12 -0.89 -0.15 0.00 -0.60 0.00 0.00 56.93 55.41 1lnw s PHE 96 Cb -0.11 -0.32 -0.05 0.00 0.51 0.00 0.00 43.02 43.04 1lnw s PHE 96 CO 0.02 -0.32 0.42 -0.51 0.70 0.00 0.00 175.22 175.52 1lnw s LEU 97 N -2.45 4.43 0.81 -0.37 1.02 -1.26 -0.20 118.68 120.66 1lnw s LEU 97 Ca -0.00 0.92 -0.12 0.00 0.02 0.00 0.00 54.13 54.95 1lnw s LEU 97 Cb 0.02 -2.60 0.09 0.00 0.02 0.00 0.00 46.19 43.72 1lnw s LEU 97 CO -0.07 0.25 1.17 0.42 0.02 0.00 0.00 176.35 178.14 1lnw s THR 98 N -0.67 2.04 0.47 5.49 -4.23 -0.93 -4.74 115.64 113.06 1lnw s THR 98 Ca 0.24 -0.04 0.14 0.00 -1.18 0.00 0.00 61.69 60.85 1lnw s THR 98 Cb -0.16 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 70.98 1lnw s THR 98 CO 0.12 0.00 2.06 -2.24 -0.54 0.00 0.00 174.62 174.02 1lnw h ASP 99 N -1.05 0.23 0.35 3.99 2.03 -1.90 0.14 116.42 120.20 1lnw h ASP 99 Ca -0.46 -0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 55.63 1lnw h ASP 99 Cb 1.32 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1lnw h ASP 99 CO 0.62 0.16 -0.87 -0.33 -1.03 0.00 0.00 179.24 177.79 1lnw h GLU 100 N 0.27 0.38 -0.46 4.15 5.08 -1.90 -2.33 114.58 119.77 1lnw h GLU 100 Ca 0.15 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1lnw h GLU 100 Cb 0.27 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1lnw h GLU 100 CO -0.03 1.05 -0.10 0.78 -1.00 0.00 0.00 179.01 179.71 1lnw h GLY 101 N 1.33 0.95 0.94 -3.84 0.00 -1.19 -0.89 103.07 100.37 1lnw h GLY 101 Ca -0.06 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.49 1lnw h GLY 101 CO 0.15 0.71 -0.09 -2.00 0.00 0.00 0.00 176.54 175.30 1lnw h LEU 102 N 0.72 -0.23 -0.54 3.11 5.85 -0.79 0.22 115.31 123.64 1lnw h LEU 102 Ca 0.12 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1lnw h LEU 102 Cb 0.64 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1lnw h LEU 102 CO 0.04 -0.15 0.34 0.00 -0.34 0.00 0.00 178.44 178.34 1lnw h ALA 103 N 0.62 0.70 -0.54 1.25 0.00 -1.35 -0.92 119.26 119.02 1lnw h ALA 103 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1lnw h ALA 103 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1lnw h ALA 103 CO 0.01 0.08 0.15 0.82 0.00 0.00 0.00 179.25 180.31 1lnw h ILE 104 N 0.69 1.24 -0.34 0.00 2.04 -0.95 -1.83 117.51 118.36 1lnw h ILE 104 Ca 0.21 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.29 1lnw h ILE 104 Cb -0.03 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1lnw h ILE 104 CO -0.07 0.31 0.08 -0.74 0.00 0.00 0.00 178.15 177.72 1lnw h HIS 105 N 0.76 0.14 -0.46 1.37 2.76 -0.10 -0.07 115.15 119.55 1lnw h HIS 105 Ca 0.17 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1lnw h HIS 105 Cb 0.31 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 1lnw h HIS 105 CO 0.02 0.04 0.12 1.96 -1.30 0.00 0.00 177.93 178.77 1lnw h GLN 106 N 0.20 0.68 -0.47 5.26 4.20 -0.94 0.18 115.11 124.22 1lnw h GLN 106 Ca 0.16 -0.12 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 1lnw h GLN 106 Cb 0.17 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1lnw h GLN 106 CO -0.20 0.61 -0.25 0.45 -0.67 0.00 0.00 178.83 178.78 1lnw h HIS 107 N 0.67 1.15 -0.26 2.96 3.86 -0.82 -1.54 115.15 121.17 1lnw h HIS 107 Ca 0.15 -0.29 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 1lnw h HIS 107 Cb 0.23 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1lnw h HIS 107 CO 0.01 1.12 0.10 0.00 0.86 0.00 0.00 177.93 180.03 1lnw h ALA 108 N 0.86 0.34 -0.25 2.45 0.00 -0.10 -2.20 119.26 120.35 1lnw h ALA 108 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1lnw h ALA 108 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1lnw h ALA 108 CO 0.07 -0.06 0.17 0.93 0.00 0.00 0.00 179.25 180.36 1lnw h GLU 109 N 0.27 0.30 -0.19 0.00 4.39 -0.56 -2.32 114.58 116.47 1lnw h GLU 109 Ca 0.09 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1lnw h GLU 109 Cb 0.18 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1lnw h GLU 109 CO -0.01 0.20 -0.01 0.00 -1.16 0.00 0.00 179.01 178.03 1lnw h ALA 110 N 1.85 0.26 0.00 3.43 0.00 -0.76 0.03 119.26 124.07 1lnw h ALA 110 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1lnw h ALA 110 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1lnw h ALA 110 CO -0.02 -0.01 0.00 0.44 0.00 0.00 0.00 179.25 179.66 1lnw n ILE 111 N -4.69 0.28 0.00 0.00 -6.64 -0.87 -0.97 119.36 106.47 1lnw n ILE 111 Ca -0.05 -0.01 0.00 0.00 -1.77 0.00 0.00 62.75 60.92 1lnw n ILE 111 Cb 0.24 -0.66 0.00 0.00 -1.44 0.00 0.00 39.64 37.78 1lnw n ILE 111 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1lnw n SER 113 N 0.94 0.00 -0.08 7.28 2.88 -0.00 -0.32 113.62 124.32 1lnw n SER 113 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1lnw n SER 113 Cb 0.13 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.72 1lnw n SER 113 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1lnw h ARG 114 N 0.00 0.74 -0.33 -1.46 0.11 -1.31 -0.20 114.38 111.93 1lnw h ARG 114 Ca 0.00 -0.26 -0.13 0.00 0.10 0.00 0.00 59.98 59.69 1lnw h ARG 114 Cb 0.00 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 1lnw h ARG 114 CO 0.00 0.85 -0.33 0.28 0.10 0.00 0.00 179.97 180.87 1lnw h VAL 115 N 0.66 1.28 0.03 0.08 2.07 -0.92 -0.85 116.25 118.60 1lnw h VAL 115 Ca 0.11 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.16 1lnw h VAL 115 Cb 0.63 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1lnw h VAL 115 CO 0.04 0.48 -0.06 0.45 0.02 0.00 0.00 177.57 178.50 1lnw h HIS 116 N 0.61 -0.16 -0.28 1.57 3.86 -1.68 -2.52 115.15 116.55 1lnw h HIS 116 Ca 0.07 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1lnw h HIS 116 Cb 0.85 0.07 -0.05 0.00 1.06 0.00 0.00 27.41 29.34 1lnw h HIS 116 CO 0.04 -0.10 -0.07 -0.44 0.86 0.00 0.00 177.93 178.22 1lnw h ASP 117 N -0.13 -0.26 0.13 2.45 5.19 -0.77 -1.52 116.42 121.52 1lnw h ASP 117 Ca 0.02 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1lnw h ASP 117 Cb 0.14 0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.78 1lnw h ASP 117 CO -0.04 -0.09 -0.46 -0.33 -3.12 0.00 0.00 179.24 175.20 1lnw h GLU 118 N 0.00 -0.67 -0.72 3.56 5.08 -0.98 0.10 114.58 120.96 1lnw h GLU 118 Ca 0.13 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 1lnw h GLU 118 Cb 0.20 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1lnw h GLU 118 CO -0.29 -0.45 0.41 1.25 -1.00 0.00 0.00 179.01 178.94 1lnw h LEU 119 N -0.70 0.63 0.00 1.33 5.85 -1.23 -3.32 115.31 117.87 1lnw h LEU 119 Ca 0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1lnw h LEU 119 Cb 0.71 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1lnw h LEU 119 CO -0.25 0.40 -1.74 0.49 -0.34 0.00 0.00 178.44 176.99 1lnw n PHE 120 N -4.74 0.21 -0.29 1.25 0.99 -0.59 -4.53 117.46 109.76 1lnw n PHE 120 Ca 0.09 0.06 0.19 0.00 -0.00 0.00 0.00 57.45 57.80 1lnw n PHE 120 Cb 0.17 -0.59 0.48 0.00 -1.00 0.00 0.00 39.48 38.54 1lnw n PHE 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1lnw h ALA 121 N 2.03 2.12 0.00 4.37 0.00 -0.90 -1.43 119.26 125.46 1lnw h ALA 121 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1lnw h ALA 121 Cb 0.98 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1lnw h ALA 121 CO 0.00 -0.46 -0.07 -1.00 0.00 0.00 0.00 179.25 177.72 1lnw h PRO 122 N 0.47 0.00 -6.89 0.00 0.13 -1.80 -3.43 132.00 120.48 1lnw h PRO 122 Ca 0.53 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 65.19 1lnw h PRO 122 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1lnw h PRO 122 CO -0.25 0.07 0.26 -0.51 -0.23 0.00 0.00 178.00 177.34 1lnw s LEU 123 N -6.64 4.10 0.91 1.56 1.43 -0.54 -5.05 118.68 114.46 1lnw s LEU 123 Ca -0.02 1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 1lnw s LEU 123 Cb 0.11 -4.21 0.14 0.00 0.03 0.00 0.00 46.19 42.27 1lnw s LEU 123 CO 0.54 -0.21 1.10 0.42 0.23 0.00 0.00 176.35 178.43 1lnw s THR 124 N -1.93 2.49 0.23 5.49 -4.23 -1.26 -4.77 115.64 111.65 1lnw s THR 124 Ca 0.55 0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 61.16 1lnw s THR 124 Cb -0.12 -2.71 0.15 0.00 1.34 0.00 0.00 72.50 71.16 1lnw s THR 124 CO 0.17 -0.21 1.77 1.55 -0.54 0.00 0.00 174.62 177.37 1lnw h PRO 125 N -1.58 1.09 -0.39 3.99 0.13 -1.96 -0.12 132.00 133.17 1lnw h PRO 125 Ca -0.51 -0.22 -0.11 0.00 -0.87 0.00 0.00 66.00 64.29 1lnw h PRO 125 Cb 1.30 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1lnw h PRO 125 CO 0.57 0.93 -0.21 -0.39 -0.23 0.00 0.00 178.00 178.66 1lnw h VAL 126 N 1.05 1.27 -0.44 1.56 -1.51 -1.98 0.13 116.25 116.33 1lnw h VAL 126 Ca 0.23 -1.32 -0.02 0.00 -1.23 0.00 0.00 66.70 64.36 1lnw h VAL 126 Cb 0.29 1.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.63 1lnw h VAL 126 CO -0.01 0.44 0.19 -0.33 -1.23 0.00 0.00 177.57 176.63 1lnw h GLU 127 N 0.66 0.65 -0.22 5.19 5.08 -1.84 0.15 114.58 124.25 1lnw h GLU 127 Ca 0.09 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1lnw h GLU 127 Cb 0.72 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1lnw h GLU 127 CO 0.06 0.58 0.13 1.96 -1.00 0.00 0.00 179.01 180.74 1lnw h GLN 128 N 0.56 0.26 -0.83 2.33 4.20 -0.63 0.16 115.11 121.17 1lnw h GLN 128 Ca 0.15 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1lnw h GLN 128 Cb 0.17 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 1lnw h GLN 128 CO -0.01 0.17 0.55 0.00 -0.67 0.00 0.00 178.83 178.87 1lnw h ALA 129 N 1.09 1.05 -0.65 3.87 0.00 -0.43 -1.00 119.26 123.20 1lnw h ALA 129 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1lnw h ALA 129 Cb -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1lnw h ALA 129 CO -0.04 0.46 0.35 1.15 0.00 0.00 0.00 179.25 181.18 1lnw h THR 130 N 1.13 1.21 -0.11 0.00 2.02 -0.14 -1.71 112.91 115.31 1lnw h THR 130 Ca 0.30 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1lnw h THR 130 Cb -0.13 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1lnw h THR 130 CO -0.07 0.23 0.07 0.25 0.37 0.00 0.00 175.52 176.37 1lnw h LEU 131 N 0.89 0.13 -1.06 2.58 6.46 0.12 -0.56 115.31 123.86 1lnw h LEU 131 Ca 0.23 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 58.00 1lnw h LEU 131 Cb 0.05 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 1lnw h LEU 131 CO -0.04 0.09 0.64 -0.37 -0.62 0.00 0.00 178.44 178.14 1lnw h VAL 132 N 0.15 1.22 -0.58 1.05 -1.51 -1.01 -0.60 116.25 114.97 1lnw h VAL 132 Ca 0.04 -0.44 -0.05 0.00 -1.23 0.00 0.00 66.70 65.02 1lnw h VAL 132 Cb -0.02 -0.17 -0.02 0.00 -2.13 0.00 0.00 31.29 28.95 1lnw h VAL 132 CO -0.01 0.23 0.16 -0.74 -1.23 0.00 0.00 177.57 175.99 1lnw h HIS 133 N 1.27 0.95 -0.01 5.19 -0.00 -0.85 -0.50 115.15 121.20 1lnw h HIS 133 Ca 0.36 -0.10 -0.14 0.00 -0.00 0.00 0.00 60.37 60.49 1lnw h HIS 133 Cb -0.09 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.03 1lnw h HIS 133 CO -0.00 0.80 -0.63 -0.07 -0.00 0.00 0.00 177.93 178.03 1lnw h LEU 134 N 0.82 0.05 -0.14 0.26 3.38 -0.69 -0.75 115.31 118.24 1lnw h LEU 134 Ca 0.18 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1lnw h LEU 134 Cb 0.31 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1lnw h LEU 134 CO -0.00 0.67 -0.00 -0.07 0.09 0.00 0.00 178.44 179.12 1lnw h LEU 135 N 0.03 0.25 -1.31 1.67 4.07 -0.82 -2.82 115.31 116.38 1lnw h LEU 135 Ca -0.01 -0.31 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 1lnw h LEU 135 Cb 1.12 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.76 1lnw h LEU 135 CO 0.08 0.50 0.34 0.44 -1.08 0.00 0.00 178.44 178.72 1lnw h ASP 136 N -0.01 0.72 -0.67 -0.43 3.32 -0.94 -2.19 116.42 116.20 1lnw h ASP 136 Ca 0.04 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1lnw h ASP 136 Cb 0.37 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1lnw h ASP 136 CO 0.01 0.57 0.44 1.56 -1.72 0.00 0.00 179.24 180.10 1lnw h GLN 137 N 0.82 0.70 0.58 3.56 1.08 -0.89 0.19 115.11 121.14 1lnw h GLN 137 Ca 0.21 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 1lnw h GLN 137 Cb -0.00 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1lnw h GLN 137 CO -0.04 0.46 -0.28 0.00 -0.95 0.00 0.00 178.83 178.02 1lnw h LEU 139 N -0.81 0.09 -0.35 0.00 4.07 -1.51 -3.20 115.31 113.59 1lnw h LEU 139 Ca -0.08 -0.44 0.06 0.00 0.08 0.00 0.00 57.88 57.49 1lnw h LEU 139 Cb 0.61 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.28 1lnw h LEU 139 CO 0.13 0.51 0.05 0.00 -1.08 0.00 0.00 178.44 178.05 1lnw h ALA 140 N 0.58 0.36 -0.01 1.53 0.00 -0.71 -1.90 119.26 119.11 1lnw h ALA 140 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1lnw h ALA 140 Cb 0.48 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1lnw h ALA 140 CO 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.90 1lnw n ALA 141 N -2.44 2.52 1.94 0.00 0.00 -0.84 -5.08 120.51 116.61 1lnw n ALA 141 Ca 0.01 -0.04 0.16 0.00 0.00 0.00 0.00 53.44 53.57 1lnw n ALA 141 Cb 0.17 -1.05 0.90 0.00 0.00 0.00 0.00 19.45 19.47 1lnw n ALA 141 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44