#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4u s ASP 9 N 0.00 6.23 0.24 9.51 2.15 -1.26 -4.96 116.67 128.58 1b4u s ASP 9 Ca 0.00 -0.39 -0.06 0.00 0.43 0.00 0.00 52.55 52.53 1b4u s ASP 9 Cb 0.00 -2.23 0.29 0.00 -0.30 0.00 0.00 42.92 40.68 1b4u s ASP 9 CO 0.00 -0.51 1.89 1.62 -0.17 0.00 0.00 175.17 178.00 1b4u h VAL 10 N 5.67 1.16 -0.44 1.11 3.04 -2.06 -0.03 116.25 124.69 1b4u h VAL 10 Ca -0.28 -0.40 -0.06 0.00 -1.01 0.00 0.00 66.70 64.95 1b4u h VAL 10 Cb 1.12 -0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 1b4u h VAL 10 CO 0.77 0.21 0.02 0.45 -1.01 0.00 0.00 177.57 178.02 1b4u h HIS 11 N 1.17 0.75 0.08 3.17 3.86 -2.00 -2.23 115.15 119.94 1b4u h HIS 11 Ca 0.37 -0.09 -0.26 0.00 -1.16 0.00 0.00 60.37 59.23 1b4u h HIS 11 Cb 0.00 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1b4u h HIS 11 CO -0.01 0.69 -1.23 0.00 0.86 0.00 0.00 177.93 178.24 1b4u h ALA 12 N 1.35 0.24 -0.31 2.45 0.00 -1.81 -2.21 119.26 118.97 1b4u h ALA 12 Ca 0.14 -0.95 0.04 0.00 0.00 0.00 0.00 54.91 54.14 1b4u h ALA 12 Cb 0.39 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1b4u h ALA 12 CO 0.01 1.12 0.07 -0.92 0.00 0.00 0.00 179.25 179.53 1b4u h TYR 13 N 0.04 0.12 -0.16 0.00 3.20 -0.84 -3.09 116.97 116.24 1b4u h TYR 13 Ca -0.12 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.62 1b4u h TYR 13 Cb 1.91 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.18 1b4u h TYR 13 CO 0.04 0.03 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.04 1b4u h LEU 14 N 0.19 0.71 -1.86 2.82 3.38 -1.40 -3.23 115.31 115.91 1b4u h LEU 14 Ca 0.15 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.57 1b4u h LEU 14 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1b4u h LEU 14 CO -0.18 1.17 0.20 0.00 0.09 0.00 0.00 178.44 179.71 1b4u h ALA 15 N 0.55 2.04 -0.75 1.53 0.00 -1.36 -1.67 119.26 119.61 1b4u h ALA 15 Ca -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1b4u h ALA 15 Cb 1.10 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1b4u h ALA 15 CO 0.10 -0.10 0.49 0.93 0.00 0.00 0.00 179.25 180.68 1b4u h GLU 16 N 0.18 0.72 -0.15 0.00 5.08 -1.56 -2.10 114.58 116.76 1b4u h GLU 16 Ca 0.13 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1b4u h GLU 16 Cb 0.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1b4u h GLU 16 CO -0.02 0.48 0.20 0.74 -1.00 0.00 0.00 179.01 179.41 1b4u h PHE 17 N 0.74 0.00 -0.00 4.33 0.04 -1.48 -2.07 116.94 118.50 1b4u h PHE 17 Ca 0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.10 1b4u h PHE 17 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1b4u h PHE 17 CO -0.00 0.00 -0.00 -0.25 -0.60 0.00 0.00 178.31 177.46 1b4u n ASP 18 N -3.65 0.17 -0.70 2.17 8.00 -0.79 -3.34 116.55 118.40 1b4u n ASP 18 Ca 0.01 -0.97 0.13 0.00 0.71 0.00 0.00 54.79 54.66 1b4u n ASP 18 Cb 0.31 -0.02 0.34 0.00 -0.02 0.00 0.00 41.12 41.73 1b4u n ASP 18 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1b4u n ASP 19 N -0.90 2.17 -4.60 -2.24 2.03 -0.78 -4.85 116.55 107.38 1b4u n ASP 19 Ca 0.22 -1.73 -0.39 0.00 0.52 0.00 0.00 54.79 53.41 1b4u n ASP 19 Cb 0.15 -0.05 -0.09 0.00 -0.72 0.00 0.00 41.12 40.41 1b4u n ASP 19 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1b4u s ILE 20 N -1.91 5.17 0.65 5.18 1.01 -1.21 -0.13 121.20 129.96 1b4u s ILE 20 Ca 0.34 0.49 -0.12 0.00 0.00 0.00 0.00 60.65 61.36 1b4u s ILE 20 Cb 0.20 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1b4u s ILE 20 CO 0.31 0.12 1.05 -2.16 0.00 0.00 0.00 174.94 174.26 1b4u s PRO 21 N 2.07 3.16 -1.84 2.79 0.04 -1.26 -3.83 135.00 136.12 1b4u s PRO 21 Ca 0.15 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1b4u s PRO 21 Cb -0.16 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1b4u s PRO 21 CO 0.10 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1b4u n GLY 22 N -1.77 0.80 3.05 0.56 0.00 -1.26 -4.96 105.19 101.60 1b4u n GLY 22 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1b4u n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b4u s THR 23 N -2.75 -0.03 -0.41 2.61 2.01 -1.25 -5.10 115.64 110.71 1b4u s THR 23 Ca 0.00 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1b4u s THR 23 Cb 0.00 -0.34 0.12 0.00 0.01 0.00 0.00 72.50 72.29 1b4u s THR 23 CO 0.00 0.05 0.18 -0.13 -0.69 0.00 0.00 174.62 174.03 1b4u s ARG 24 N 0.92 1.32 0.41 4.92 0.52 -1.26 -4.91 118.95 120.86 1b4u s ARG 24 Ca -0.07 -1.89 -0.26 0.00 -0.52 0.00 0.00 55.73 52.99 1b4u s ARG 24 Cb -0.08 -2.57 -0.08 0.00 0.52 0.00 0.00 34.95 32.73 1b4u s ARG 24 CO -0.06 -1.08 1.26 0.08 0.02 0.00 0.00 175.30 175.52 1b4u s VAL 25 N 0.60 2.78 -1.16 3.52 1.01 -1.26 -4.93 120.40 120.95 1b4u s VAL 25 Ca 0.15 0.68 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 1b4u s VAL 25 Cb -0.22 -3.39 0.11 0.00 0.00 0.00 0.00 36.38 32.88 1b4u s VAL 25 CO -0.06 0.08 1.49 0.12 0.00 0.00 0.00 175.10 176.72 1b4u s PHE 26 N -1.31 3.04 0.51 5.22 5.36 -1.26 -4.87 117.98 124.67 1b4u s PHE 26 Ca 0.57 -1.64 0.06 0.00 -0.96 0.00 0.00 56.93 54.97 1b4u s PHE 26 Cb -0.36 -4.52 0.04 0.00 -0.34 0.00 0.00 43.02 37.85 1b4u s PHE 26 CO 0.45 -1.64 0.71 0.95 -1.46 0.00 0.00 175.22 174.24 1b4u s THR 27 N 3.18 2.66 0.31 0.12 -4.23 -1.26 -4.87 115.64 111.55 1b4u s THR 27 Ca 0.45 -0.87 0.07 0.00 -1.18 0.00 0.00 61.69 60.16 1b4u s THR 27 Cb -0.00 -2.79 0.31 0.00 1.34 0.00 0.00 72.50 71.35 1b4u s THR 27 CO -0.01 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 175.86 1b4u h ALA 28 N 0.29 1.70 -0.62 3.99 0.00 -1.98 -0.76 119.26 121.88 1b4u h ALA 28 Ca -0.38 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1b4u h ALA 28 Cb 1.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1b4u h ALA 28 CO 0.46 -0.07 0.14 0.37 0.00 0.00 0.00 179.25 180.14 1b4u h GLN 29 N 0.75 1.00 -0.35 0.00 4.15 -1.96 0.00 115.11 118.70 1b4u h GLN 29 Ca 0.57 -0.25 -0.13 0.00 0.77 0.00 0.00 58.65 59.61 1b4u h GLN 29 Cb 0.91 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1b4u h GLN 29 CO -0.37 0.92 -0.32 0.00 -1.93 0.00 0.00 178.83 177.13 1b4u h ARG 30 N 0.91 0.76 -0.67 1.69 3.08 -1.69 -2.89 114.38 115.57 1b4u h ARG 30 Ca 0.19 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 1b4u h ARG 30 Cb 0.37 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1b4u h ARG 30 CO 0.00 0.97 0.18 0.00 -1.07 0.00 0.00 179.97 180.05 1b4u h ALA 31 N 1.00 1.05 -0.37 0.04 0.00 -0.70 0.29 119.26 120.57 1b4u h ALA 31 Ca 0.07 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1b4u h ALA 31 Cb 0.85 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1b4u h ALA 31 CO 0.07 0.63 -0.30 0.00 0.00 0.00 0.00 179.25 179.66 1b4u h ARG 32 N 1.00 0.79 -0.13 0.00 3.08 -1.03 -2.10 114.38 116.00 1b4u h ARG 32 Ca 0.21 -0.36 -0.20 0.00 0.07 0.00 0.00 59.98 59.71 1b4u h ARG 32 Cb 0.33 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1b4u h ARG 32 CO -0.00 0.99 -0.72 -0.22 -1.07 0.00 0.00 179.97 178.95 1b4u h LYS 33 N 0.67 0.60 -0.35 0.04 3.64 -1.07 -2.96 116.57 117.13 1b4u h LYS 33 Ca 0.08 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1b4u h LYS 33 Cb 0.83 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1b4u h LYS 33 CO 0.07 1.09 0.00 0.41 -2.27 0.00 0.00 179.45 178.75 1b4u n GLY 34 N 0.56 0.87 0.20 5.01 0.00 0.93 -4.58 105.19 108.19 1b4u n GLY 34 Ca -0.05 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 1b4u n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1b4u h TYR 35 N 2.60 -0.38 -0.67 1.61 3.20 -1.21 -1.13 116.97 121.00 1b4u h TYR 35 Ca 0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1b4u h TYR 35 Cb 0.59 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 1b4u h TYR 35 CO 0.23 -0.22 0.22 -0.91 -1.64 0.00 0.00 178.16 175.84 1b4u h ASN 36 N -0.13 0.96 -0.66 -2.11 2.35 -1.85 -1.00 115.58 113.14 1b4u h ASN 36 Ca 0.14 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 1b4u h ASN 36 Cb 0.34 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1b4u h ASN 36 CO -0.35 0.90 0.20 0.25 -1.65 0.00 0.00 177.43 176.78 1b4u h LEU 37 N 0.96 0.97 -0.30 1.61 5.85 -1.58 -1.46 115.31 121.37 1b4u h LEU 37 Ca 0.22 -0.21 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1b4u h LEU 37 Cb 0.27 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1b4u h LEU 37 CO -0.01 0.93 -0.64 0.78 -0.34 0.00 0.00 178.44 179.16 1b4u h ASN 38 N 0.97 0.86 -0.95 1.25 2.35 -1.22 -2.29 115.58 116.55 1b4u h ASN 38 Ca 0.21 -0.51 -0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1b4u h ASN 38 Cb 0.31 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1b4u h ASN 38 CO -0.00 1.29 0.58 1.56 -1.65 0.00 0.00 177.43 179.20 1b4u h GLN 39 N 0.55 1.28 -0.50 0.81 1.08 -1.10 -1.06 115.11 116.17 1b4u h GLN 39 Ca -0.01 -0.11 0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1b4u h GLN 39 Cb 1.24 -0.27 -0.05 0.00 -0.05 0.00 0.00 27.48 28.35 1b4u h GLN 39 CO 0.13 0.88 0.22 0.35 -0.95 0.00 0.00 178.83 179.46 1b4u h PHE 40 N 1.30 0.39 -0.16 2.96 3.57 -1.18 -2.14 116.94 121.68 1b4u h PHE 40 Ca 0.34 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.73 1b4u h PHE 40 Cb -0.08 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1b4u h PHE 40 CO 0.00 0.17 -0.48 0.00 -2.23 0.00 0.00 178.31 175.77 1b4u h ALA 41 N 1.30 0.87 -0.24 2.41 0.00 -0.89 -1.10 119.26 121.60 1b4u h ALA 41 Ca 0.23 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1b4u h ALA 41 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1b4u h ALA 41 CO -0.20 0.66 0.21 0.52 0.00 0.00 0.00 179.25 180.44 1b4u h MET 42 N 0.34 0.00 0.00 0.00 2.86 -0.57 -0.80 114.93 116.76 1b4u h MET 42 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1b4u h MET 42 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1b4u h MET 42 CO 0.08 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.71 1b4u h SER 43 N 0.00 0.00 -0.00 1.22 4.64 -0.74 -2.28 113.55 116.39 1b4u h SER 43 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1b4u h SER 43 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1b4u h SER 43 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1b4u n LEU 44 N -2.81 0.03 0.17 5.97 4.77 -0.31 -2.48 117.00 122.34 1b4u n LEU 44 Ca 0.01 -0.01 0.13 0.00 -0.03 0.00 0.00 56.01 56.12 1b4u n LEU 44 Cb 0.27 -0.00 0.56 0.00 -2.33 0.00 0.00 43.42 41.93 1b4u n LEU 44 CO 0.24 0.00 0.90 0.24 -1.33 0.00 0.00 177.39 177.44 1b4u h MET 45 N 0.04 0.00 -5.36 3.23 2.86 -1.56 -3.43 114.93 110.70 1b4u h MET 45 Ca 0.00 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.02 1b4u h MET 45 Cb 0.01 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.52 1b4u h MET 45 CO 0.00 0.00 -0.56 0.15 1.06 0.00 0.00 176.91 177.56 1b4u s LYS 46 N -3.44 3.87 0.38 1.72 1.02 -1.04 -4.99 119.74 117.26 1b4u s LYS 46 Ca 0.03 -0.32 0.08 0.00 0.02 0.00 0.00 55.97 55.78 1b4u s LYS 46 Cb 0.09 -3.19 0.81 0.00 -0.52 0.00 0.00 37.83 35.02 1b4u s LYS 46 CO 0.42 0.35 1.95 0.00 -0.92 0.00 0.00 175.35 177.15 1b4u h ALA 47 N 6.43 1.79 -0.18 5.17 0.00 -1.90 -1.45 119.26 129.12 1b4u h ALA 47 Ca -0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1b4u h ALA 47 Cb 1.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1b4u h ALA 47 CO 0.69 0.08 0.11 0.93 0.00 0.00 0.00 179.25 181.05 1b4u h GLU 48 N 0.67 0.24 -0.33 0.00 3.07 -1.95 -2.48 114.58 113.80 1b4u h GLU 48 Ca 0.32 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 59.08 1b4u h GLU 48 Cb 0.38 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1b4u h GLU 48 CO -0.11 0.20 -0.11 -0.91 -1.40 0.00 0.00 179.01 176.68 1b4u h ASN 49 N 0.21 0.55 -0.83 1.42 2.35 -1.56 -2.15 115.58 115.56 1b4u h ASN 49 Ca 0.06 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 1b4u h ASN 49 Cb 0.02 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1b4u h ASN 49 CO -0.01 0.70 0.42 0.03 -1.65 0.00 0.00 177.43 176.91 1b4u h ARG 50 N 0.52 1.20 -0.35 0.81 3.08 -1.06 0.11 114.38 118.69 1b4u h ARG 50 Ca 0.10 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1b4u h ARG 50 Cb 0.51 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1b4u h ARG 50 CO 0.03 0.91 -0.03 0.93 -1.07 0.00 0.00 179.97 180.74 1b4u h GLU 51 N 1.19 0.64 -0.74 0.04 4.39 -1.08 0.85 114.58 119.87 1b4u h GLU 51 Ca 0.29 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1b4u h GLU 51 Cb 0.10 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1b4u h GLU 51 CO -0.04 0.77 0.23 0.00 -1.16 0.00 0.00 179.01 178.81 1b4u h ARG 52 N 0.44 1.14 -0.47 2.33 3.08 -1.15 -0.65 114.38 119.10 1b4u h ARG 52 Ca 0.10 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1b4u h ARG 52 Cb 0.50 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1b4u h ARG 52 CO 0.02 0.97 0.05 0.35 -1.07 0.00 0.00 179.97 180.30 1b4u h PHE 53 N 1.09 0.85 -0.64 3.04 3.57 -0.45 -2.32 116.94 122.09 1b4u h PHE 53 Ca 0.24 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1b4u h PHE 53 Cb 0.30 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1b4u h PHE 53 CO 0.02 0.80 0.18 0.87 -2.23 0.00 0.00 178.31 177.96 1b4u h LYS 54 N 0.66 1.01 0.05 1.11 1.57 -0.59 -1.76 116.57 118.61 1b4u h LYS 54 Ca 0.14 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1b4u h LYS 54 Cb 0.43 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1b4u h LYS 54 CO 0.01 0.90 -0.18 0.00 -0.57 0.00 0.00 179.45 179.61 1b4u h ALA 55 N 1.06 -0.25 -2.55 3.86 0.00 -0.56 -3.38 119.26 117.45 1b4u h ALA 55 Ca 0.20 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.72 1b4u h ALA 55 Cb 0.33 0.29 -0.37 0.00 0.00 0.00 0.00 17.79 18.04 1b4u h ALA 55 CO -0.00 -0.68 -0.68 0.34 0.00 0.00 0.00 179.25 178.23 1b4u s ASP 56 N -4.94 2.03 0.07 0.00 -1.08 -1.09 -5.05 116.67 106.60 1b4u s ASP 56 Ca -0.15 -0.63 -0.25 0.00 -0.52 0.00 0.00 52.55 51.00 1b4u s ASP 56 Cb 0.08 0.18 -0.16 0.00 -1.46 0.00 0.00 42.92 41.56 1b4u s ASP 56 CO 0.66 -0.37 1.63 -0.33 0.52 0.00 0.00 175.17 177.28 1b4u h GLU 57 N 8.33 -0.11 -0.43 4.34 5.08 -1.51 -1.62 114.58 128.67 1b4u h GLU 57 Ca -0.16 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1b4u h GLU 57 Cb 1.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1b4u h GLU 57 CO 0.33 0.01 -0.03 1.03 -1.00 0.00 0.00 179.01 179.35 1b4u h SER 58 N -0.20 0.77 -0.63 1.42 0.87 -1.97 0.33 113.55 114.14 1b4u h SER 58 Ca -0.01 -0.32 0.03 0.00 -1.23 0.00 0.00 61.79 60.26 1b4u h SER 58 Cb 0.17 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 1b4u h SER 58 CO 0.02 0.91 0.38 0.00 -0.53 0.00 0.00 176.83 177.61 1b4u h ALA 59 N 0.89 0.83 -0.44 6.23 0.00 -1.93 -0.95 119.26 123.88 1b4u h ALA 59 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1b4u h ALA 59 Cb 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1b4u h ALA 59 CO 0.03 0.11 -0.10 -0.92 0.00 0.00 0.00 179.25 178.37 1b4u h TYR 60 N 0.74 0.87 -0.33 0.00 5.03 -0.26 -2.82 116.97 120.20 1b4u h TYR 60 Ca 0.26 -0.16 -0.09 0.00 2.58 0.00 0.00 58.73 61.33 1b4u h TYR 60 Cb 0.06 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.10 1b4u h TYR 60 CO -0.06 0.86 -0.16 -0.07 -1.32 0.00 0.00 178.16 177.41 1b4u h LEU 61 N 0.72 0.58 -2.04 2.82 3.38 0.61 -2.60 115.31 118.79 1b4u h LEU 61 Ca 0.12 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1b4u h LEU 61 Cb 0.59 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1b4u h LEU 61 CO 0.04 0.76 0.37 0.44 0.09 0.00 0.00 178.44 180.14 1b4u h ASP 62 N 0.54 0.00 0.00 -0.43 3.32 -0.94 -1.47 116.42 117.43 1b4u h ASP 62 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1b4u h ASP 62 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1b4u h ASP 62 CO 0.04 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.94 1b4u n GLU 63 N -4.04 0.74 -0.03 3.56 1.02 -0.98 -3.98 120.64 116.93 1b4u n GLU 63 Ca 0.08 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.27 1b4u n GLU 63 Cb 0.56 -1.44 0.06 0.00 -0.02 0.00 0.00 31.44 30.61 1b4u n GLU 63 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1b4u n TRP 64 N -0.94 0.07 -3.63 -0.32 7.02 -0.55 -4.99 117.44 114.10 1b4u n TRP 64 Ca 0.16 -0.08 -0.22 0.00 -1.02 0.00 0.00 57.50 56.34 1b4u n TRP 64 Cb 0.07 -0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.02 1b4u n TRP 64 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1b4u n ASN 65 N 0.60 -3.12 -4.87 -0.99 4.13 -1.26 -4.81 115.26 104.94 1b4u n ASN 65 Ca 0.07 -0.69 -0.31 0.00 1.68 0.00 0.00 54.58 55.33 1b4u n ASN 65 Cb 0.30 -4.58 -0.02 0.00 -1.54 0.00 0.00 39.78 33.94 1b4u n ASN 65 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1b4u s LEU 66 N -6.81 3.57 0.75 3.41 1.43 -1.26 -4.94 118.68 114.83 1b4u s LEU 66 Ca 0.23 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.54 1b4u s LEU 66 Cb -0.11 -4.28 0.05 0.00 0.03 0.00 0.00 46.19 41.88 1b4u s LEU 66 CO 0.77 -0.61 1.11 0.42 0.23 0.00 0.00 176.35 178.27 1b4u s THR 67 N -2.72 3.13 0.29 5.49 -4.23 -1.26 -4.78 115.64 111.55 1b4u s THR 67 Ca 0.54 0.42 -0.00 0.00 -1.18 0.00 0.00 61.69 61.47 1b4u s THR 67 Cb -0.10 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.13 1b4u s THR 67 CO 0.39 -0.42 1.90 -0.65 -0.54 0.00 0.00 174.62 175.30 1b4u h PRO 68 N -0.80 1.04 -0.60 3.99 0.11 -1.99 0.98 132.00 134.73 1b4u h PRO 68 Ca -0.45 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1b4u h PRO 68 Cb 1.24 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1b4u h PRO 68 CO 0.51 0.69 0.20 0.00 -0.21 0.00 0.00 178.00 179.19 1b4u h ALA 69 N 1.49 0.78 -0.37 -0.75 0.00 -1.99 -1.80 119.26 116.62 1b4u h ALA 69 Ca 0.41 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1b4u h ALA 69 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1b4u h ALA 69 CO -0.16 0.44 -0.36 0.00 0.00 0.00 0.00 179.25 179.17 1b4u h ALA 70 N 1.06 0.65 -0.13 0.00 0.00 -1.35 -1.09 119.26 118.39 1b4u h ALA 70 Ca 0.19 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1b4u h ALA 70 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1b4u h ALA 70 CO -0.01 0.67 0.03 -0.22 0.00 0.00 0.00 179.25 179.73 1b4u h LYS 71 N 0.73 0.20 -0.65 0.00 3.64 -0.79 -2.19 116.57 117.52 1b4u h LYS 71 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1b4u h LYS 71 Cb 0.94 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 1b4u h LYS 71 CO 0.09 0.36 0.41 0.00 -2.27 0.00 0.00 179.45 178.04 1b4u h ALA 72 N 0.84 0.82 -0.90 5.00 0.00 -1.13 -2.29 119.26 121.60 1b4u h ALA 72 Ca 0.04 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1b4u h ALA 72 Cb 0.24 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1b4u h ALA 72 CO -0.00 0.27 0.57 0.00 0.00 0.00 0.00 179.25 180.09 1b4u h ALA 73 N 1.22 1.23 0.04 0.00 0.00 -0.98 0.14 119.26 120.91 1b4u h ALA 73 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1b4u h ALA 73 Cb -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1b4u h ALA 73 CO -0.05 0.36 -0.02 0.28 0.00 0.00 0.00 179.25 179.82 1b4u h VAL 74 N 1.06 1.09 0.00 0.00 2.07 -1.07 0.43 116.25 119.84 1b4u h VAL 74 Ca 0.38 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1b4u h VAL 74 Cb 0.12 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1b4u h VAL 74 CO -0.16 0.11 -0.15 -0.07 0.02 0.00 0.00 177.57 177.32 1b4u h LEU 75 N -0.24 0.00 -1.01 2.57 3.38 -1.25 0.25 115.31 119.02 1b4u h LEU 75 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1b4u h LEU 75 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1b4u h LEU 75 CO 0.01 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1b4u n ALA 76 N -2.49 2.52 -4.12 1.53 0.00 0.02 -4.92 120.51 113.05 1b4u n ALA 76 Ca -0.02 -0.49 -0.28 0.00 0.00 0.00 0.00 53.44 52.65 1b4u n ALA 76 Cb 0.22 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 1b4u n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1b4u n ARG 77 N 0.23 -0.94 -3.23 0.00 5.12 0.89 -4.90 116.66 113.83 1b4u n ARG 77 Ca 0.15 0.08 -0.46 0.00 -1.93 0.00 0.00 57.85 55.69 1b4u n ARG 77 Cb 0.29 -3.18 -0.05 0.00 -1.16 0.00 0.00 32.46 28.36 1b4u n ARG 77 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1b4u s ASP 78 N -4.24 6.22 0.27 0.55 -1.08 0.04 -4.93 116.67 113.51 1b4u s ASP 78 Ca 0.00 -1.71 0.01 0.00 -0.52 0.00 0.00 52.55 50.34 1b4u s ASP 78 Cb -0.00 -2.25 0.37 0.00 -1.46 0.00 0.00 42.92 39.58 1b4u s ASP 78 CO 0.89 -0.95 1.71 1.88 0.52 0.00 0.00 175.17 179.23 1b4u h TYR 79 N 8.95 0.62 -0.59 -5.34 0.05 -1.90 -2.20 116.97 116.54 1b4u h TYR 79 Ca -0.27 -0.13 0.04 0.00 0.05 0.00 0.00 58.73 58.42 1b4u h TYR 79 Cb 1.09 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.63 1b4u h TYR 79 CO 0.79 0.74 0.34 -0.91 -1.05 0.00 0.00 178.16 178.06 1b4u h ASN 80 N 0.49 0.52 0.14 3.88 2.35 -1.91 -1.86 115.58 119.19 1b4u h ASN 80 Ca 0.07 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1b4u h ASN 80 Cb 0.66 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1b4u h ASN 80 CO 0.05 0.35 -0.43 0.00 -1.65 0.00 0.00 177.43 175.75 1b4u h ALA 81 N 1.29 0.98 -0.69 -0.83 0.00 -1.92 -2.18 119.26 115.91 1b4u h ALA 81 Ca 0.25 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1b4u h ALA 81 Cb 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1b4u h ALA 81 CO -0.14 0.63 0.44 0.52 0.00 0.00 0.00 179.25 180.70 1b4u h MET 82 N 0.30 0.91 -0.52 0.00 2.86 -1.13 -2.24 114.93 115.12 1b4u h MET 82 Ca 0.02 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1b4u h MET 82 Cb 0.88 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1b4u h MET 82 CO 0.07 0.62 -0.12 0.82 1.06 0.00 0.00 176.91 179.36 1b4u h ILE 83 N 0.93 1.27 -0.42 -1.22 2.04 -1.01 -0.58 117.51 118.52 1b4u h ILE 83 Ca 0.25 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.90 1b4u h ILE 83 Cb -0.08 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1b4u h ILE 83 CO -0.05 0.44 0.28 0.44 0.00 0.00 0.00 178.15 179.26 1b4u h ASP 84 N 0.87 0.32 -0.08 1.72 3.32 -1.26 0.77 116.42 122.07 1b4u h ASP 84 Ca 0.13 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1b4u h ASP 84 Cb 0.67 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1b4u h ASP 84 CO 0.05 0.21 0.00 -0.62 -1.72 0.00 0.00 179.24 177.16 1b4u n GLU 85 N -4.48 1.32 -0.09 3.56 -0.58 -0.55 -4.86 120.64 114.96 1b4u n GLU 85 Ca 0.05 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 1b4u n GLU 85 Cb 0.23 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1b4u n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b4u n GLY 86 N 0.42 0.55 3.77 0.62 0.00 0.26 -3.57 105.19 107.23 1b4u n GLY 86 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1b4u n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b4u s GLY 87 N -1.09 2.79 -0.09 -0.02 0.00 -0.33 -3.89 107.32 104.69 1b4u s GLY 87 Ca 0.00 0.91 -0.00 0.00 0.00 0.00 0.00 44.72 45.62 1b4u s GLY 87 CO 0.00 1.37 -0.06 0.21 0.00 0.00 0.00 173.10 174.63 1b4u s ASN 88 N -1.34 4.74 0.35 1.64 2.47 -1.26 -4.39 114.94 117.14 1b4u s ASN 88 Ca 0.61 -0.02 0.03 0.00 0.42 0.00 0.00 52.86 53.90 1b4u s ASN 88 Cb -0.28 -1.33 0.66 0.00 -1.45 0.00 0.00 41.25 38.85 1b4u s ASN 88 CO 0.34 0.33 1.97 1.62 -3.72 0.00 0.00 177.10 177.64 1b4u h VAL 89 N 4.42 1.09 -0.59 -5.21 3.04 -1.97 0.31 116.25 117.35 1b4u h VAL 89 Ca -0.45 -0.29 -0.07 0.00 -1.01 0.00 0.00 66.70 64.87 1b4u h VAL 89 Cb 1.18 0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 30.60 1b4u h VAL 89 CO 0.54 0.16 0.09 1.88 -1.01 0.00 0.00 177.57 179.23 1b4u h TYR 90 N 0.85 1.01 -0.06 3.17 0.05 -2.00 -0.67 116.97 119.32 1b4u h TYR 90 Ca 0.29 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 1b4u h TYR 90 Cb 0.10 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 1b4u h TYR 90 CO -0.00 0.87 -0.08 0.74 -1.05 0.00 0.00 178.16 178.63 1b4u h PHE 91 N 0.90 0.20 0.00 4.88 -1.00 -1.65 -3.22 116.94 117.04 1b4u h PHE 91 Ca 0.18 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1b4u h PHE 91 Cb 0.41 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.93 1b4u h PHE 91 CO 0.03 0.65 0.00 1.28 -1.61 0.00 0.00 178.31 178.65 1b4u n LEU 92 N -4.70 0.48 0.26 1.54 4.77 -0.00 -2.44 117.00 116.91 1b4u n LEU 92 Ca -0.08 0.64 0.09 0.00 -0.03 0.00 0.00 56.01 56.63 1b4u n LEU 92 Cb 0.33 -0.61 0.67 0.00 -2.33 0.00 0.00 43.42 41.47 1b4u n LEU 92 CO 0.36 -0.58 1.06 0.77 -1.33 0.00 0.00 177.39 177.67 1b4u h SER 93 N 0.00 0.00 -0.28 -1.43 4.64 -1.13 0.16 113.55 115.51 1b4u h SER 93 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1b4u h SER 93 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1b4u h SER 93 CO 0.00 0.03 0.02 0.11 -0.87 0.00 0.00 176.83 176.11 1b4u h LYS 94 N 0.00 0.59 0.06 4.77 6.56 -1.67 0.49 116.57 127.37 1b4u h LYS 94 Ca -0.00 -0.13 -0.00 0.00 -1.06 0.00 0.00 60.65 59.46 1b4u h LYS 94 Cb 0.05 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1b4u h LYS 94 CO 0.00 0.60 -0.03 1.25 -2.06 0.00 0.00 179.45 179.21 1b4u h LEU 95 N 0.56 -0.07 -0.78 2.94 5.85 -0.86 -2.18 115.31 120.77 1b4u h LEU 95 Ca 0.12 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1b4u h LEU 95 Cb 0.33 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1b4u h LEU 95 CO 0.01 0.17 -0.28 2.19 -0.34 0.00 0.00 178.44 180.19 1b4u h PHE 96 N -0.31 0.00 -0.15 1.25 -5.15 -1.26 -2.42 116.94 108.89 1b4u h PHE 96 Ca -0.01 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.59 1b4u h PHE 96 Cb 0.27 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.44 1b4u h PHE 96 CO 0.00 0.28 -0.63 0.77 -2.00 0.00 0.00 178.31 176.73 1b4u h SER 97 N 0.00 0.63 -0.33 -0.68 0.02 -0.91 0.34 113.55 112.61 1b4u h SER 97 Ca -0.00 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1b4u h SER 97 Cb 0.91 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1b4u h SER 97 CO 0.04 1.10 0.07 0.71 -1.14 0.00 0.00 176.83 177.60 1b4u h THR 98 N 0.41 1.20 0.00 -2.27 1.35 -0.93 0.53 112.91 113.18 1b4u h THR 98 Ca -0.01 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1b4u h THR 98 Cb 1.19 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1b4u h THR 98 CO 0.12 0.26 0.00 0.47 -0.25 0.00 0.00 175.52 176.12 1b4u n ASP 99 N -4.30 0.00 -0.26 5.36 8.00 -0.95 -4.87 116.55 119.53 1b4u n ASP 99 Ca 0.02 0.14 -0.03 0.00 0.71 0.00 0.00 54.79 55.63 1b4u n ASP 99 Cb 0.22 -0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 41.01 1b4u n ASP 99 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b4u n GLY 100 N -0.33 0.64 3.93 0.44 0.00 0.18 -5.05 105.19 105.00 1b4u n GLY 100 Ca 0.05 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 1b4u n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b4u s LYS 101 N -1.89 3.32 0.53 1.61 -0.14 0.12 -4.98 119.74 118.30 1b4u s LYS 101 Ca 0.00 -0.13 0.02 0.00 -1.36 0.00 0.00 55.97 54.50 1b4u s LYS 101 Cb 0.00 -2.48 0.03 0.00 -1.68 0.00 0.00 37.83 33.70 1b4u s LYS 101 CO 0.00 -0.20 0.74 -1.54 -0.76 0.00 0.00 175.35 173.59 1b4u s SER 102 N -4.14 5.36 0.37 2.83 1.04 -1.26 -4.23 113.70 113.67 1b4u s SER 102 Ca 0.47 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.90 1b4u s SER 102 Cb -0.10 -0.90 0.72 0.00 0.10 0.00 0.00 66.02 65.83 1b4u s SER 102 CO 0.41 -1.06 2.02 -0.26 0.98 0.00 0.00 173.24 175.33 1b4u h PHE 103 N 0.16 0.70 -0.56 5.02 -1.00 -1.97 -2.24 116.94 117.05 1b4u h PHE 103 Ca -0.42 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.32 1b4u h PHE 103 Cb 1.29 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.59 1b4u h PHE 103 CO 0.38 0.44 0.11 0.37 -1.61 0.00 0.00 178.31 177.99 1b4u h GLN 104 N 0.75 0.88 -0.10 1.51 4.15 -1.99 -0.12 115.11 120.18 1b4u h GLN 104 Ca 0.21 -0.20 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1b4u h GLN 104 Cb -0.06 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1b4u h GLN 104 CO -0.05 0.81 -0.04 0.35 -1.93 0.00 0.00 178.83 177.97 1b4u h PHE 105 N 0.84 -0.08 -0.34 3.99 3.57 -1.87 -2.36 116.94 120.69 1b4u h PHE 105 Ca 0.18 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 1b4u h PHE 105 Cb 0.35 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1b4u h PHE 105 CO 0.02 -0.06 -0.22 0.00 -2.23 0.00 0.00 178.31 175.82 1b4u h ALA 106 N 1.08 0.99 0.10 2.41 0.00 -0.80 -1.63 119.26 121.41 1b4u h ALA 106 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1b4u h ALA 106 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1b4u h ALA 106 CO -0.12 0.60 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 1b4u h ALA 107 N 1.19 -0.13 -0.78 0.00 0.00 -0.98 -2.71 119.26 115.85 1b4u h ALA 107 Ca 0.08 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1b4u h ALA 107 Cb 0.68 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1b4u h ALA 107 CO 0.05 -0.29 0.51 0.78 0.00 0.00 0.00 179.25 180.31 1b4u h GLY 108 N -0.70 0.95 2.00 0.00 0.00 -1.41 -0.97 103.07 102.94 1b4u h GLY 108 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1b4u h GLY 108 CO 0.02 0.13 0.00 1.48 0.00 0.00 0.00 176.54 178.17 1b4u h SER 109 N 0.62 0.00 0.10 0.19 4.64 -0.96 -1.68 113.55 116.46 1b4u h SER 109 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1b4u h SER 109 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1b4u h SER 109 CO -0.14 0.00 -0.30 0.23 -0.87 0.00 0.00 176.83 175.75 1b4u n MET 110 N -3.06 1.16 0.00 4.77 2.81 -0.37 -4.03 117.12 118.40 1b4u n MET 110 Ca -0.03 -0.83 0.11 0.00 -1.81 0.00 0.00 57.70 55.14 1b4u n MET 110 Cb 0.08 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.09 1b4u n MET 110 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1b4u n THR 111 N -0.19 0.00 0.00 2.03 -2.24 -0.63 -4.95 114.28 108.30 1b4u n THR 111 Ca 0.12 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1b4u n THR 111 Cb 0.41 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1b4u n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b4u n GLY 112 N 1.50 2.92 3.67 3.38 0.00 -1.24 -4.99 105.19 110.44 1b4u n GLY 112 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1b4u n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b4u s MET 113 N -0.15 1.04 0.49 1.61 1.00 -1.26 -5.02 119.30 117.02 1b4u s MET 113 Ca 0.00 1.35 -0.11 0.00 0.00 0.00 0.00 55.69 56.93 1b4u s MET 113 Cb 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 34.83 33.03 1b4u s MET 113 CO 0.00 -2.55 0.88 -0.08 0.00 0.00 0.00 175.02 173.27 1b4u s THR 114 N -2.70 4.75 0.34 2.05 -1.32 -1.26 -4.72 115.64 112.78 1b4u s THR 114 Ca 0.66 0.70 0.08 0.00 -1.21 0.00 0.00 61.69 61.91 1b4u s THR 114 Cb -0.22 -3.79 0.32 0.00 -1.51 0.00 0.00 72.50 67.30 1b4u s THR 114 CO 0.58 -0.78 1.85 -0.61 -2.21 0.00 0.00 174.62 173.46 1b4u h GLN 115 N 0.58 0.72 -0.08 7.08 4.15 -1.95 0.26 115.11 125.87 1b4u h GLN 115 Ca -0.46 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 58.87 1b4u h GLN 115 Cb 1.19 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 1b4u h GLN 115 CO 0.62 0.48 -0.11 1.49 -1.93 0.00 0.00 178.83 179.38 1b4u h GLU 116 N 0.74 0.22 -0.19 1.69 4.57 -1.99 -1.40 114.58 118.22 1b4u h GLU 116 Ca 0.48 -0.12 -0.15 0.00 -1.18 0.00 0.00 59.36 58.38 1b4u h GLU 116 Cb 0.73 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1b4u h GLU 116 CO -0.24 0.67 -0.50 1.05 -1.18 0.00 0.00 179.01 178.82 1b4u h GLU 117 N -0.22 0.52 -0.54 1.92 4.11 -1.77 -0.36 114.58 118.25 1b4u h GLU 117 Ca 0.01 -0.30 0.05 0.00 0.07 0.00 0.00 59.36 59.19 1b4u h GLU 117 Cb 0.64 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1b4u h GLU 117 CO 0.03 0.90 0.26 -0.92 0.07 0.00 0.00 179.01 179.34 1b4u h TYR 118 N 0.41 0.48 -0.30 2.06 3.20 -0.53 -0.98 116.97 121.30 1b4u h TYR 118 Ca 0.02 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 1b4u h TYR 118 Cb 1.01 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1b4u h TYR 118 CO 0.04 0.22 -0.20 0.00 -1.64 0.00 0.00 178.16 176.57 1b4u h ALA 119 N 1.30 1.08 -0.51 1.82 0.00 -0.82 -2.47 119.26 119.67 1b4u h ALA 119 Ca 0.24 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1b4u h ALA 119 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1b4u h ALA 119 CO -0.18 0.56 -0.15 0.37 0.00 0.00 0.00 179.25 179.85 1b4u h GLN 120 N 0.50 0.99 -0.86 0.00 5.75 -0.61 -2.20 115.11 118.68 1b4u h GLN 120 Ca 0.08 -0.38 0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1b4u h GLN 120 Cb 0.63 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.09 1b4u h GLN 120 CO 0.04 1.06 0.57 1.98 -2.65 0.00 0.00 178.83 179.83 1b4u h MET 121 N 0.87 1.13 -0.45 1.69 4.05 -1.06 0.41 114.93 121.56 1b4u h MET 121 Ca 0.13 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 1b4u h MET 121 Cb 0.72 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1b4u h MET 121 CO 0.06 0.75 0.03 0.52 0.23 0.00 0.00 176.91 178.49 1b4u h MET 122 N 1.16 0.78 -0.72 0.39 2.86 -1.29 0.10 114.93 118.22 1b4u h MET 122 Ca 0.32 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1b4u h MET 122 Cb -0.13 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 1b4u h MET 122 CO -0.07 0.82 0.45 0.82 1.06 0.00 0.00 176.91 179.99 1b4u h ILE 123 N 0.63 1.20 0.00 -1.22 1.08 -1.02 -2.47 117.51 115.71 1b4u h ILE 123 Ca 0.13 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1b4u h ILE 123 Cb 0.45 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 1b4u h ILE 123 CO 0.02 0.20 0.00 0.47 -0.69 0.00 0.00 178.15 178.15 1b4u n ASP 124 N -4.55 0.00 0.00 1.72 8.00 0.10 -4.80 116.55 117.02 1b4u n ASP 124 Ca 0.06 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1b4u n ASP 124 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1b4u n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b4u n GLY 125 N 0.54 1.02 0.00 0.44 0.00 -0.93 -5.06 105.19 101.20 1b4u n GLY 125 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1b4u n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b4u n GLY 126 N 0.00 0.61 3.72 -0.02 0.00 0.32 -4.89 105.19 104.93 1b4u n GLY 126 Ca 0.00 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1b4u n GLY 126 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b4u s ARG 127 N -1.68 4.30 0.35 1.61 3.52 -1.26 -4.87 118.95 120.92 1b4u s ARG 127 Ca 0.00 2.16 -0.26 0.00 -0.13 0.00 0.00 55.73 57.50 1b4u s ARG 127 Cb 0.00 -3.20 -0.09 0.00 -1.56 0.00 0.00 34.95 30.10 1b4u s ARG 127 CO 0.00 -0.44 1.05 0.45 -0.81 0.00 0.00 175.30 175.55 1b4u s SER 128 N 0.89 6.99 0.47 -2.12 0.15 -1.26 -4.95 113.70 113.86 1b4u s SER 128 Ca 0.64 2.09 0.26 0.00 0.70 0.00 0.00 55.95 59.64 1b4u s SER 128 Cb -0.39 -2.60 0.86 0.00 -1.71 0.00 0.00 66.02 62.18 1b4u s SER 128 CO 0.33 -0.33 1.80 1.55 1.20 0.00 0.00 173.24 177.79 1b4u h PRO 129 N 3.02 0.00 -6.35 5.44 0.13 -1.96 -3.44 132.00 128.84 1b4u h PRO 129 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 1b4u h PRO 129 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 1b4u h PRO 129 CO 0.64 0.12 0.97 0.00 -0.23 0.00 0.00 178.00 179.50 1b4u n ALA 130 N -2.15 0.96 -0.43 -0.56 0.00 -1.26 -0.06 120.51 117.01 1b4u n ALA 130 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1b4u n ALA 130 Cb 0.44 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1b4u n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4u n GLY 131 N 4.00 1.65 1.00 0.00 0.00 0.13 -4.86 105.19 107.12 1b4u n GLY 131 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.28 1b4u n GLY 131 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1b4u n VAL 132 N -2.00 1.15 -0.06 1.61 0.24 0.91 -4.70 118.33 115.47 1b4u n VAL 132 Ca 0.00 -2.14 -0.02 0.00 -2.04 0.00 0.00 64.34 60.14 1b4u n VAL 132 Cb 0.00 0.34 -0.16 0.00 -1.47 0.00 0.00 33.84 32.56 1b4u n VAL 132 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1b4u n ARG 133 N -0.36 0.68 -3.72 7.34 3.00 -1.21 -4.36 116.66 118.03 1b4u n ARG 133 Ca 0.13 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.85 57.77 1b4u n ARG 133 Cb 0.90 -1.54 -0.14 0.00 0.00 0.00 0.00 32.46 31.68 1b4u n ARG 133 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1b4u s SER 134 N -5.19 -0.02 0.11 0.55 0.15 -1.25 -4.44 113.70 103.61 1b4u s SER 134 Ca -0.09 0.42 -0.15 0.00 0.70 0.00 0.00 55.95 56.83 1b4u s SER 134 Cb 0.09 0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 64.68 1b4u s SER 134 CO 0.86 -0.18 1.50 0.40 1.20 0.00 0.00 173.24 177.02 1b4u h ILE 135 N 6.05 1.28 0.00 6.45 2.04 -0.89 -2.59 117.51 129.85 1b4u h ILE 135 Ca -0.36 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.27 1b4u h ILE 135 Cb 1.14 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1b4u h ILE 135 CO 0.34 0.39 -0.56 0.07 0.00 0.00 0.00 178.15 178.38 1b4u h LYS 136 N 0.45 0.00 0.00 2.37 2.10 -1.97 -3.28 116.57 116.25 1b4u h LYS 136 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1b4u h LYS 136 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1b4u h LYS 136 CO 0.04 0.15 -1.21 0.41 -2.00 0.00 0.00 179.45 176.84 1b4u n GLY 137 N 1.19 -1.01 3.23 0.07 0.00 -1.25 -5.00 105.19 102.42 1b4u n GLY 137 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1b4u n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b4u n GLY 138 N 1.44 0.00 0.91 -0.02 0.00 -0.98 -5.01 105.19 101.54 1b4u n GLY 138 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1b4u n GLY 138 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90