#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw5 s LYS 2 N 0.00 3.38 -0.31 2.12 2.20 -1.26 -5.08 119.74 120.78 1bw5 s LYS 2 Ca 0.00 -0.49 -0.08 0.00 -0.36 0.00 0.00 55.97 55.04 1bw5 s LYS 2 Cb 0.00 -2.85 0.01 0.00 -1.51 0.00 0.00 37.83 33.48 1bw5 s LYS 2 CO 0.00 0.42 0.12 0.99 -0.36 0.00 0.00 175.35 176.52 1bw5 s THR 3 N -0.13 4.18 -0.88 3.43 2.01 -1.26 -5.02 115.64 117.97 1bw5 s THR 3 Ca 0.03 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1bw5 s THR 3 Cb -0.13 -3.20 0.22 0.00 0.01 0.00 0.00 72.50 69.40 1bw5 s THR 3 CO 0.02 0.01 0.77 -0.89 -0.69 0.00 0.00 174.62 173.84 1bw5 s THR 4 N 1.52 4.35 0.00 -0.82 2.01 -1.26 -5.05 115.64 116.39 1bw5 s THR 4 Ca 0.03 -3.82 0.00 0.00 0.31 0.00 0.00 61.69 58.20 1bw5 s THR 4 Cb -0.18 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1bw5 s THR 4 CO 0.04 -1.08 0.00 0.54 -0.69 0.00 0.00 174.62 173.43 1bw5 n ARG 5 N 2.39 2.03 -3.65 4.92 1.74 -1.26 -5.07 116.66 117.75 1bw5 n ARG 5 Ca 0.21 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.89 1bw5 n ARG 5 Cb 0.37 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.70 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bw5 s VAL 6 N 1.42 4.18 -1.11 1.55 1.01 -1.26 -4.98 120.40 121.21 1bw5 s VAL 6 Ca 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 1bw5 s VAL 6 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1bw5 s VAL 6 CO 0.00 -0.31 2.80 0.54 0.00 0.00 0.00 175.10 178.13 1bw5 n ARG 7 N 4.90 3.63 -4.74 2.72 3.00 -1.26 -4.91 116.66 120.01 1bw5 n ARG 7 Ca -0.11 -2.56 -0.33 0.00 -0.01 0.00 0.00 57.85 54.83 1bw5 n ARG 7 Cb 0.44 -2.52 -0.14 0.00 0.00 0.00 0.00 32.46 30.24 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1bw5 s THR 8 N 0.01 2.99 -0.08 0.55 -4.23 -1.26 -4.99 115.64 108.63 1bw5 s THR 8 Ca 0.62 -0.68 0.21 0.00 -1.18 0.00 0.00 61.69 60.66 1bw5 s THR 8 Cb 0.23 -2.26 0.43 0.00 1.34 0.00 0.00 72.50 72.24 1bw5 s THR 8 CO -0.09 0.52 1.19 0.55 -0.54 0.00 0.00 174.62 176.24 1bw5 n VAL 9 N 3.62 0.79 -2.44 2.29 3.14 -1.26 -5.06 118.33 119.41 1bw5 n VAL 9 Ca -0.18 -1.82 -0.43 0.00 -2.96 0.00 0.00 64.34 58.95 1bw5 n VAL 9 Cb 0.53 0.57 -0.02 0.00 -1.06 0.00 0.00 33.84 33.86 1bw5 n VAL 9 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1bw5 s LEU 10 N -1.20 4.03 0.00 6.55 2.01 -1.26 -4.90 118.68 123.92 1bw5 s LEU 10 Ca 0.35 1.44 0.00 0.00 0.01 0.00 0.00 54.13 55.94 1bw5 s LEU 10 Cb 0.38 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 43.04 1bw5 s LEU 10 CO -0.13 -0.91 0.00 -0.46 1.01 0.00 0.00 176.35 175.86 1bw5 n ASN 11 N 7.08 0.00 -0.35 2.29 0.23 -1.26 -4.86 115.26 118.38 1bw5 n ASN 11 Ca 0.14 -0.50 0.25 0.00 -0.53 0.00 0.00 54.58 53.94 1bw5 n ASN 11 Cb 0.46 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.65 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1bw5 h GLU 12 N 0.00 0.33 0.00 -3.83 5.08 -1.97 0.11 114.58 114.30 1bw5 h GLU 12 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1bw5 h GLU 12 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1bw5 h GLU 12 CO 0.00 0.22 0.00 1.63 -1.00 0.00 0.00 179.01 179.86 1bw5 n LYS 13 N -4.89 0.00 0.13 2.33 5.02 -1.26 -2.20 118.16 117.29 1bw5 n LYS 13 Ca 0.31 0.29 -0.14 0.00 -2.02 0.00 0.00 58.31 56.75 1bw5 n LYS 13 Cb 1.00 -1.14 -0.08 0.00 -0.02 0.00 0.00 35.03 34.79 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1bw5 h GLN 14 N 0.00 -0.27 -0.42 1.97 7.50 -1.88 -3.16 115.11 118.85 1bw5 h GLN 14 Ca 0.00 0.02 0.08 0.00 0.50 0.00 0.00 58.65 59.25 1bw5 h GLN 14 Cb 0.00 0.06 -0.09 0.00 0.05 0.00 0.00 27.48 27.50 1bw5 h GLN 14 CO 0.00 -0.10 -0.32 1.25 -1.50 0.00 0.00 178.83 178.16 1bw5 h LEU 15 N -0.38 -1.08 -0.92 1.46 5.85 -0.95 -0.50 115.31 118.79 1bw5 h LEU 15 Ca -0.03 0.19 0.25 0.00 0.84 0.00 0.00 57.88 59.13 1bw5 h LEU 15 Cb 0.29 0.51 -0.17 0.00 0.37 0.00 0.00 40.66 41.67 1bw5 h LEU 15 CO 0.05 -0.32 0.07 -0.74 -0.34 0.00 0.00 178.44 177.16 1bw5 h HIS 16 N -0.24 0.04 0.83 1.25 2.76 -1.41 0.83 115.15 119.20 1bw5 h HIS 16 Ca 0.18 0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.37 1bw5 h HIS 16 Cb 0.54 0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1bw5 h HIS 16 CO -0.54 -0.36 -0.45 1.15 -1.30 0.00 0.00 177.93 176.43 1bw5 h THR 17 N 0.06 0.09 -0.97 6.26 2.02 -1.10 -2.74 112.91 116.54 1bw5 h THR 17 Ca 0.56 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.87 1bw5 h THR 17 Cb 1.13 0.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.55 1bw5 h THR 17 CO -0.82 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 175.61 1bw5 h LEU 18 N -1.18 0.83 -1.79 2.58 3.38 -0.92 -1.42 115.31 116.79 1bw5 h LEU 18 Ca -0.11 0.05 0.43 0.00 0.09 0.00 0.00 57.88 58.34 1bw5 h LEU 18 Cb 0.92 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 1bw5 h LEU 18 CO 0.15 0.42 1.01 0.03 0.09 0.00 0.00 178.44 180.14 1bw5 h ARG 19 N 0.88 0.06 -0.29 1.13 3.08 -0.58 1.02 114.38 119.67 1bw5 h ARG 19 Ca 0.49 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.43 1bw5 h ARG 19 Cb 0.61 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1bw5 h ARG 19 CO -0.26 0.04 -0.27 1.79 -1.07 0.00 0.00 179.97 180.20 1bw5 h THR 20 N 0.06 1.27 0.60 2.04 1.35 -1.31 -3.07 112.91 113.85 1bw5 h THR 20 Ca 0.74 -1.34 -0.03 0.00 -0.55 0.00 0.00 66.41 65.23 1bw5 h THR 20 Cb 2.71 1.34 0.01 0.00 -1.73 0.00 0.00 68.15 70.48 1bw5 h THR 20 CO -0.14 0.43 -0.29 0.00 -0.25 0.00 0.00 175.52 175.28 1bw5 h TYR 22 N -1.03 0.41 0.11 0.00 3.20 -1.52 1.32 116.97 119.47 1bw5 h TYR 22 Ca -0.08 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.84 1bw5 h TYR 22 Cb 0.62 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1bw5 h TYR 22 CO 0.03 -0.10 -0.18 0.00 -1.64 0.00 0.00 178.16 176.27 1bw5 h ALA 23 N 1.68 -0.31 -0.11 1.82 0.00 -1.59 -2.77 119.26 117.98 1bw5 h ALA 23 Ca 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1bw5 h ALA 23 Cb 0.91 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bw5 h ALA 23 CO -0.55 -0.71 0.00 0.00 0.00 0.00 0.00 179.25 177.99 1bw5 n ALA 24 N -2.46 2.50 -3.14 0.00 0.00 -0.86 -4.74 120.51 111.81 1bw5 n ALA 24 Ca -0.07 -0.63 0.02 0.00 0.00 0.00 0.00 53.44 52.76 1bw5 n ALA 24 Cb 0.22 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 1bw5 n ALA 24 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1bw5 s ASN 25 N -1.84 -1.38 0.15 0.00 3.84 0.45 -5.00 114.94 111.16 1bw5 s ASN 25 Ca 0.34 -0.42 0.24 0.00 0.21 0.00 0.00 52.86 53.23 1bw5 s ASN 25 Cb 0.20 1.78 0.92 0.00 -0.55 0.00 0.00 41.25 43.60 1bw5 s ASN 25 CO 0.31 -0.18 1.74 -0.81 -2.79 0.00 0.00 177.10 175.37 1bw5 n PRO 26 N 4.63 0.15 -3.29 0.43 -0.04 -1.16 -3.33 135.00 132.39 1bw5 n PRO 26 Ca 0.09 0.23 -0.08 0.00 -0.04 0.00 0.00 63.50 63.70 1bw5 n PRO 26 Cb 0.57 -1.71 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 1bw5 n PRO 26 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1bw5 s ARG 27 N -3.12 0.62 0.63 0.54 3.00 -1.26 -5.00 118.95 114.35 1bw5 s ARG 27 Ca 0.09 -0.31 -0.06 0.00 -1.00 0.00 0.00 55.73 54.45 1bw5 s ARG 27 Cb 0.12 -0.31 0.14 0.00 0.00 0.00 0.00 34.95 34.90 1bw5 s ARG 27 CO 0.47 -1.14 0.86 -0.35 0.00 0.00 0.00 175.30 175.14 1bw5 n PRO 28 N 4.70 -0.41 0.00 5.12 -0.04 -1.26 -5.11 135.00 138.00 1bw5 n PRO 28 Ca 0.08 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 1bw5 n PRO 28 Cb 0.50 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 1bw5 n PRO 28 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bw5 n ASP 29 N -3.26 0.00 -0.04 3.54 -0.08 -1.26 -4.98 116.55 110.47 1bw5 n ASP 29 Ca 0.12 0.00 0.23 0.00 -1.51 0.00 0.00 54.79 53.63 1bw5 n ASP 29 Cb 0.43 0.00 0.54 0.00 2.34 0.00 0.00 41.12 44.44 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bw5 h ALA 30 N 2.00 2.51 -3.00 -1.67 0.00 -1.99 -0.81 119.26 116.30 1bw5 h ALA 30 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bw5 h ALA 30 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1bw5 h ALA 30 CO 0.00 -1.23 0.00 -0.11 0.00 0.00 0.00 179.25 177.91 1bw5 n LEU 31 N -3.33 0.68 0.07 0.00 -0.00 -1.26 -3.71 117.00 109.45 1bw5 n LEU 31 Ca 0.15 0.24 0.06 0.00 -0.00 0.00 0.00 56.01 56.46 1bw5 n LEU 31 Cb 1.11 0.00 0.30 0.00 -0.00 0.00 0.00 43.42 44.83 1bw5 n LEU 31 CO 0.23 0.00 0.69 0.80 -0.00 0.00 0.00 177.39 179.11 1bw5 n MET 32 N -0.36 0.07 -0.28 1.96 1.56 -1.15 -2.90 117.12 116.01 1bw5 n MET 32 Ca 0.00 0.48 0.19 0.00 -0.27 0.00 0.00 57.70 58.10 1bw5 n MET 32 Cb 0.00 -1.69 0.48 0.00 2.15 0.00 0.00 33.22 34.17 1bw5 n MET 32 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1bw5 h LYS 33 N 0.00 0.44 0.78 2.12 3.64 -1.22 0.12 116.57 122.45 1bw5 h LYS 33 Ca 0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1bw5 h LYS 33 Cb 0.11 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1bw5 h LYS 33 CO 0.00 0.29 -0.37 1.49 -2.27 0.00 0.00 179.45 178.59 1bw5 h GLU 34 N 0.46 -1.01 -0.65 1.90 4.57 -1.69 -2.76 114.58 115.40 1bw5 h GLU 34 Ca 0.52 0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.72 1bw5 h GLU 34 Cb 1.23 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 30.02 1bw5 h GLU 34 CO -0.24 -0.67 0.22 1.96 -1.18 0.00 0.00 179.01 179.10 1bw5 h GLN 35 N -1.09 1.00 -0.80 1.92 7.50 -1.71 -3.03 115.11 118.90 1bw5 h GLN 35 Ca -0.11 -0.21 0.18 0.00 0.50 0.00 0.00 58.65 59.02 1bw5 h GLN 35 Cb 0.80 -0.15 -0.12 0.00 0.05 0.00 0.00 27.48 28.07 1bw5 h GLN 35 CO 0.18 0.87 0.26 -0.07 -1.50 0.00 0.00 178.83 178.56 1bw5 h LEU 36 N 0.94 0.13 0.13 1.46 -0.00 -0.76 0.11 115.31 117.32 1bw5 h LEU 36 Ca 0.21 0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 58.24 1bw5 h LEU 36 Cb 0.27 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1bw5 h LEU 36 CO -0.01 -0.02 -0.06 0.58 -0.00 0.00 0.00 178.44 178.92 1bw5 h VAL 37 N 0.32 0.90 0.00 1.22 2.07 -1.36 -2.26 116.25 117.15 1bw5 h VAL 37 Ca 0.47 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.86 1bw5 h VAL 37 Cb 0.84 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1bw5 h VAL 37 CO -0.52 0.03 -0.01 -0.08 0.02 0.00 0.00 177.57 177.00 1bw5 h GLU 38 N -0.24 0.00 0.92 1.57 4.81 -1.16 0.55 114.58 121.03 1bw5 h GLU 38 Ca -0.02 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1bw5 h GLU 38 Cb 0.19 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.58 1bw5 h GLU 38 CO 0.03 0.01 -0.47 0.52 -0.73 0.00 0.00 179.01 178.37 1bw5 h MET 39 N 0.00 -1.22 0.00 1.92 2.86 -0.22 -3.31 114.93 114.95 1bw5 h MET 39 Ca -0.00 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1bw5 h MET 39 Cb 0.04 0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1bw5 h MET 39 CO 0.00 -0.82 -1.24 -2.37 1.06 0.00 0.00 176.91 173.55 1bw5 n THR 40 N -5.64 0.00 -0.89 2.22 5.66 -1.18 -4.96 114.28 109.48 1bw5 n THR 40 Ca -0.16 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 1bw5 n THR 40 Cb 0.51 0.69 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 1bw5 n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bw5 n GLY 41 N 1.43 0.58 3.83 1.09 0.00 0.19 -5.00 105.19 107.31 1bw5 n GLY 41 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1bw5 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bw5 s LEU 42 N 0.00 2.77 1.21 0.99 1.02 -1.26 -5.00 118.68 118.41 1bw5 s LEU 42 Ca 0.00 1.32 -0.15 0.00 0.02 0.00 0.00 54.13 55.32 1bw5 s LEU 42 Cb 0.00 -4.03 0.29 0.00 0.02 0.00 0.00 46.19 42.47 1bw5 s LEU 42 CO 0.00 -1.72 1.02 -0.94 0.02 0.00 0.00 176.35 174.73 1bw5 s SER 43 N -3.99 0.73 0.26 2.29 1.04 -1.26 -4.90 113.70 107.87 1bw5 s SER 43 Ca 0.60 1.21 0.11 0.00 0.48 0.00 0.00 55.95 58.35 1bw5 s SER 43 Cb -0.13 -1.85 0.29 0.00 0.10 0.00 0.00 66.02 64.42 1bw5 s SER 43 CO 0.54 -4.31 1.57 1.55 0.98 0.00 0.00 173.24 173.56 1bw5 h PRO 44 N -2.70 0.00 0.53 4.02 0.13 -1.99 -3.33 132.00 128.66 1bw5 h PRO 44 Ca -0.56 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 1bw5 h PRO 44 Cb 1.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1bw5 h PRO 44 CO 0.46 0.65 -0.51 -0.09 -0.23 0.00 0.00 178.00 178.28 1bw5 h ARG 45 N 0.00 -0.99 0.00 0.86 9.65 -2.02 -2.66 114.38 119.22 1bw5 h ARG 45 Ca -0.01 0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1bw5 h ARG 45 Cb 1.19 0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 30.00 1bw5 h ARG 45 CO 0.08 -0.66 -0.04 0.28 2.80 0.00 0.00 179.97 182.43 1bw5 h VAL 46 N -1.03 0.60 0.22 0.20 2.07 -1.96 -2.96 116.25 113.41 1bw5 h VAL 46 Ca -0.07 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1bw5 h VAL 46 Cb 0.88 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1bw5 h VAL 46 CO -0.05 0.04 -0.11 0.40 0.02 0.00 0.00 177.57 177.88 1bw5 h ILE 47 N 0.00 0.83 -0.52 4.57 1.08 -1.58 -3.03 117.51 118.86 1bw5 h ILE 47 Ca -0.00 -0.78 0.10 0.00 -0.39 0.00 0.00 64.86 63.80 1bw5 h ILE 47 Cb 0.11 1.25 -0.09 0.00 -3.07 0.00 0.00 36.82 35.02 1bw5 h ILE 47 CO 0.01 0.16 -0.07 -0.09 -0.69 0.00 0.00 178.15 177.46 1bw5 h ARG 48 N -0.72 0.04 -0.02 2.37 2.43 -1.32 -2.09 114.38 115.08 1bw5 h ARG 48 Ca -0.03 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1bw5 h ARG 48 Cb 0.49 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1bw5 h ARG 48 CO 0.05 0.03 -0.15 -0.24 -1.51 0.00 0.00 179.97 178.15 1bw5 h VAL 49 N 0.05 1.12 0.57 0.20 3.04 -1.59 -3.25 116.25 116.39 1bw5 h VAL 49 Ca 0.26 -0.54 -0.02 0.00 -1.01 0.00 0.00 66.70 65.38 1bw5 h VAL 49 Cb 0.40 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 1bw5 h VAL 49 CO -0.49 0.16 -0.44 -0.25 -1.01 0.00 0.00 177.57 175.53 1bw5 h TRP 50 N 0.02 -1.21 -0.20 3.17 7.01 -1.24 -1.64 115.95 121.86 1bw5 h TRP 50 Ca 0.00 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.06 1bw5 h TRP 50 Cb 0.28 0.45 -0.06 0.00 -2.10 0.00 0.00 29.16 27.73 1bw5 h TRP 50 CO 0.00 -0.62 -0.21 0.74 -2.79 0.00 0.00 178.44 175.56 1bw5 h PHE 51 N -0.98 -0.55 -0.06 2.65 0.04 -1.67 -0.36 116.94 116.02 1bw5 h PHE 51 Ca -0.08 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.74 1bw5 h PHE 51 Cb 0.82 0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 1bw5 h PHE 51 CO -0.16 -0.29 -0.13 0.37 -0.60 0.00 0.00 178.31 177.50 1bw5 h GLN 52 N -0.23 -0.12 -0.93 1.51 4.15 -1.57 -1.74 115.11 116.18 1bw5 h GLN 52 Ca 0.12 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.72 1bw5 h GLN 52 Cb 0.42 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.03 1bw5 h GLN 52 CO -0.34 -0.08 0.51 -0.97 -1.93 0.00 0.00 178.83 176.03 1bw5 h ASN 53 N -0.13 0.63 -0.80 -0.69 -1.24 -1.16 -2.44 115.58 109.76 1bw5 h ASN 53 Ca 0.01 0.10 0.18 0.00 0.71 0.00 0.00 56.30 57.30 1bw5 h ASN 53 Cb 0.16 -0.01 -0.15 0.00 0.73 0.00 0.00 38.32 39.06 1bw5 h ASN 53 CO -0.12 0.23 -0.08 0.50 -1.29 0.00 0.00 177.43 176.67 1bw5 h LYS 54 N 0.67 0.05 0.02 6.67 1.63 -0.12 -1.68 116.57 123.80 1bw5 h LYS 54 Ca 0.53 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.34 1bw5 h LYS 54 Cb 0.80 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.37 1bw5 h LYS 54 CO -0.39 0.03 -0.51 -0.09 -3.45 0.00 0.00 179.45 175.04 1bw5 h ARG 55 N 0.05 -0.63 -0.29 1.90 1.12 -1.29 0.94 114.38 116.19 1bw5 h ARG 55 Ca 0.42 0.04 0.05 0.00 -1.11 0.00 0.00 59.98 59.38 1bw5 h ARG 55 Cb 0.72 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.81 1bw5 h ARG 55 CO -0.76 -0.42 0.20 0.00 -3.11 0.00 0.00 179.97 175.87 1bw5 h LYS 57 N 0.17 0.45 -0.07 0.00 3.64 -0.25 -3.43 116.57 117.08 1bw5 h LYS 57 Ca 0.13 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1bw5 h LYS 57 Cb 0.29 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 31.96 1bw5 h LYS 57 CO -0.02 0.73 -0.09 -0.25 -2.27 0.00 0.00 179.45 177.56 1bw5 n ASP 58 N -4.53 -1.40 -4.58 4.20 8.00 0.18 -5.10 116.55 113.31 1bw5 n ASP 58 Ca -0.05 -1.49 -0.41 0.00 0.71 0.00 0.00 54.79 53.55 1bw5 n ASP 58 Cb 0.33 0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 42.15 1bw5 n ASP 58 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1bw5 s LYS 59 N 0.46 2.98 0.00 -1.24 2.20 0.26 -4.43 119.74 119.97 1bw5 s LYS 59 Ca 0.25 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.25 1bw5 s LYS 59 Cb 0.18 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 1bw5 s LYS 59 CO -0.10 -2.28 0.00 1.63 -0.36 0.00 0.00 175.35 174.25 1bw5 n LYS 60 N 8.72 0.00 -3.14 4.03 5.02 -1.26 -4.74 118.16 126.79 1bw5 n LYS 60 Ca 0.26 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.45 1bw5 n LYS 60 Cb 0.49 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.54 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1bw5 n ARG 61 N 0.00 -1.87 0.00 1.97 0.00 -1.26 -5.04 116.66 110.47 1bw5 n ARG 61 Ca 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 57.85 58.92 1bw5 n ARG 61 Cb 0.00 -5.70 0.00 0.00 0.00 0.00 0.00 32.46 26.76 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1bw5 n SER 62 N -2.67 0.00 -2.62 6.15 2.88 -1.26 -5.00 113.62 111.09 1bw5 n SER 62 Ca -0.04 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.46 1bw5 n SER 62 Cb 0.57 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1bw5 n ILE 63 N 0.00-10.84 -1.81 2.46 -0.00 -1.26 -4.95 119.36 102.95 1bw5 n ILE 63 Ca 0.00 2.36 -0.31 0.00 -0.00 0.00 0.00 62.75 64.80 1bw5 n ILE 63 Cb 0.00 -5.73 0.03 0.00 -0.00 0.00 0.00 39.64 33.94 1bw5 n ILE 63 CO 0.00 0.00 0.00 -0.04 -0.00 0.00 0.00 176.55 176.51 1bw5 s MET 64 N -0.53 3.24 -0.12 0.38 -1.94 -1.26 -4.58 119.30 114.49 1bw5 s MET 64 Ca -0.20 0.71 -0.01 0.00 -1.71 0.00 0.00 55.69 54.48 1bw5 s MET 64 Cb 0.01 -2.04 0.00 0.00 2.01 0.00 0.00 34.83 34.81 1bw5 s MET 64 CO 0.54 -0.82 0.01 -1.33 -0.01 0.00 0.00 175.02 173.41 1bw5 n MET 65 N -2.91 -1.45 -0.37 2.03 2.81 -1.26 -5.33 117.12 110.64 1bw5 n MET 65 Ca 0.07 1.51 0.00 0.00 -1.81 0.00 0.00 57.70 57.46 1bw5 n MET 65 Cb 0.55 -2.59 0.00 0.00 -0.71 0.00 0.00 33.22 30.47 1bw5 n MET 65 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65