#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 3.88 0.48 2.12 1.02 -1.26 -4.80 119.74 121.18 1bw5 s LYS 2 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.52 1bw5 s LYS 2 Cb 0.00 -3.77 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 1bw5 s LYS 2 CO 0.00 -0.79 0.00 2.41 -0.92 0.00 0.00 175.35 176.05 1bw5 n THR 3 N 5.71 -0.14 -3.89 2.17 -1.04 -1.26 -4.83 114.28 111.00 1bw5 n THR 3 Ca 0.05 0.53 -0.29 0.00 -2.04 0.00 0.00 64.05 62.30 1bw5 n THR 3 Cb 0.48 -0.98 0.02 0.00 -1.82 0.00 0.00 70.33 68.03 1bw5 n THR 3 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1bw5 n THR 4 N -4.19 -2.46 -1.39 12.58 -1.04 -1.26 -4.87 114.28 111.66 1bw5 n THR 4 Ca -0.05 -0.11 -0.38 0.00 -2.04 0.00 0.00 64.05 61.47 1bw5 n THR 4 Cb 0.63 -2.96 0.04 0.00 -1.82 0.00 0.00 70.33 66.22 1bw5 n THR 4 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1bw5 n ARG 5 N -4.60 0.38 -1.57 -2.82 1.74 -1.26 -4.72 116.66 103.82 1bw5 n ARG 5 Ca -0.03 0.15 -0.46 0.00 -0.77 0.00 0.00 57.85 56.74 1bw5 n ARG 5 Cb 0.56 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 30.37 1bw5 n ARG 5 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1bw5 n VAL 6 N -1.78 0.35 -1.96 1.55 3.14 -1.26 -4.63 118.33 113.73 1bw5 n VAL 6 Ca 0.10 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1bw5 n VAL 6 Cb 0.48 -2.23 0.00 0.00 -1.06 0.00 0.00 33.84 31.03 1bw5 n VAL 6 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1bw5 n ARG 7 N 8.33 0.00 -3.01 1.45 -4.01 -1.26 -5.13 116.66 113.04 1bw5 n ARG 7 Ca 0.32 -0.05 -0.27 0.00 -1.04 0.00 0.00 57.85 56.80 1bw5 n ARG 7 Cb 0.37 -0.04 -0.02 0.00 -3.04 0.00 0.00 32.46 29.74 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1bw5 s THR 8 N 0.00 4.96 -0.21 8.89 2.01 -1.26 -5.01 115.64 125.02 1bw5 s THR 8 Ca 0.00 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.12 1bw5 s THR 8 Cb 0.00 -3.81 0.16 0.00 0.01 0.00 0.00 72.50 68.86 1bw5 s THR 8 CO 0.00 -0.61 1.01 0.55 -0.69 0.00 0.00 174.62 174.88 1bw5 n VAL 9 N -1.69 0.00 -2.56 3.82 3.14 -1.26 -5.12 118.33 114.65 1bw5 n VAL 9 Ca -0.01 -0.59 -0.43 0.00 -2.96 0.00 0.00 64.34 60.35 1bw5 n VAL 9 Cb 0.55 0.70 -0.02 0.00 -1.06 0.00 0.00 33.84 34.01 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 -1.97 4.12 0.38 6.55 2.01 -1.26 -5.03 118.68 123.49 1bw5 s LEU 10 Ca 0.06 1.49 0.04 0.00 0.01 0.00 0.00 54.13 55.72 1bw5 s LEU 10 Cb 0.17 -3.54 -0.01 0.00 0.01 0.00 0.00 46.19 42.83 1bw5 s LEU 10 CO -0.05 -0.72 0.56 0.54 1.01 0.00 0.00 176.35 177.69 1bw5 s ASN 11 N 1.56 5.90 0.58 2.29 4.22 -1.26 -4.90 114.94 123.34 1bw5 s ASN 11 Ca 0.49 0.01 0.31 0.00 -2.14 0.00 0.00 52.86 51.52 1bw5 s ASN 11 Cb -0.18 -1.35 1.38 0.00 1.28 0.00 0.00 41.25 42.38 1bw5 s ASN 11 CO 0.10 -0.55 1.74 -0.08 -2.04 0.00 0.00 177.10 176.27 1bw5 h GLU 12 N 0.68 0.00 0.27 3.55 4.81 -2.00 -1.99 114.58 119.89 1bw5 h GLU 12 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1bw5 h GLU 12 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1bw5 h GLU 12 CO 0.55 0.00 -0.13 0.87 -0.73 0.00 0.00 179.01 179.57 1bw5 h LYS 13 N 0.00 -0.34 -0.31 1.92 1.57 -2.01 -3.28 116.57 114.12 1bw5 h LYS 13 Ca 0.37 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 1bw5 h LYS 13 Cb 1.85 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.23 1bw5 h LYS 13 CO -0.00 0.01 0.10 1.96 -0.57 0.00 0.00 179.45 180.95 1bw5 h GLN 14 N -0.87 0.48 -0.89 3.15 4.20 -1.75 -3.03 115.11 116.40 1bw5 h GLN 14 Ca -0.04 -0.10 0.23 0.00 0.06 0.00 0.00 58.65 58.80 1bw5 h GLN 14 Cb 0.51 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1bw5 h GLN 14 CO 0.06 0.52 0.61 1.25 -0.67 0.00 0.00 178.83 180.60 1bw5 h LEU 15 N 0.34 0.23 -0.14 1.46 5.85 -1.61 -1.98 115.31 119.45 1bw5 h LEU 15 Ca 0.10 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1bw5 h LEU 15 Cb 0.24 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1bw5 h LEU 15 CO -0.00 0.08 -0.13 0.45 -0.34 0.00 0.00 178.44 178.50 1bw5 h HIS 16 N 0.22 -0.32 0.43 1.25 3.86 -1.58 -1.06 115.15 117.95 1bw5 h HIS 16 Ca 0.45 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.67 1bw5 h HIS 16 Cb 1.40 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 30.02 1bw5 h HIS 16 CO -0.00 -0.19 -0.41 1.15 0.86 0.00 0.00 177.93 179.33 1bw5 h THR 17 N -0.15 0.17 -0.82 2.45 2.02 -1.51 -2.42 112.91 112.66 1bw5 h THR 17 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.42 1bw5 h THR 17 Cb 0.29 0.17 -0.09 0.00 -1.74 0.00 0.00 68.15 66.77 1bw5 h THR 17 CO -0.23 0.00 0.39 -0.07 0.37 0.00 0.00 175.52 175.98 1bw5 h LEU 18 N -0.85 0.45 -0.68 2.58 3.38 -1.56 -1.49 115.31 117.14 1bw5 h LEU 18 Ca -0.04 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.16 1bw5 h LEU 18 Cb 0.75 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.44 1bw5 h LEU 18 CO -0.05 0.19 0.19 -0.09 0.09 0.00 0.00 178.44 178.77 1bw5 h ARG 19 N 0.57 0.31 -0.54 1.13 2.43 -0.71 0.66 114.38 118.24 1bw5 h ARG 19 Ca 0.45 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.57 1bw5 h ARG 19 Cb 0.64 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1bw5 h ARG 19 CO -0.37 0.21 0.21 1.15 -1.51 0.00 0.00 179.97 179.65 1bw5 h THR 20 N 0.32 1.20 0.79 0.20 2.02 -0.97 -2.85 112.91 113.62 1bw5 h THR 20 Ca 0.37 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1bw5 h THR 20 Cb 0.58 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1bw5 h THR 20 CO -0.43 0.25 -0.40 0.00 0.37 0.00 0.00 175.52 175.31 1bw5 h TYR 22 N -1.09 1.12 0.00 0.00 3.20 -1.39 -1.97 116.97 116.84 1bw5 h TYR 22 Ca -0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1bw5 h TYR 22 Cb 0.85 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1bw5 h TYR 22 CO -0.04 0.38 0.00 0.00 -1.64 0.00 0.00 178.16 176.87 1bw5 n ALA 23 N -2.34 1.74 0.00 1.82 0.00 -1.08 -2.94 120.51 117.70 1bw5 n ALA 23 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1bw5 n ALA 23 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1bw5 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw5 n ALA 24 N 0.75 0.81 -3.19 0.00 0.00 -0.75 -5.05 120.51 113.07 1bw5 n ALA 24 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1bw5 n ALA 24 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 1bw5 n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw5 s ASN 25 N -1.74 -1.40 0.00 0.00 4.22 -1.15 -5.03 114.94 109.84 1bw5 s ASN 25 Ca 0.00 -0.38 -0.04 0.00 -2.14 0.00 0.00 52.86 50.31 1bw5 s ASN 25 Cb 0.00 1.91 -0.17 0.00 1.28 0.00 0.00 41.25 44.27 1bw5 s ASN 25 CO 0.00 -0.24 2.77 -0.81 -2.04 0.00 0.00 177.10 176.78 1bw5 n PRO 26 N 4.88 1.47 -2.76 3.55 -0.04 -1.25 -4.16 135.00 136.69 1bw5 n PRO 26 Ca 0.08 -0.63 -0.10 0.00 -0.04 0.00 0.00 63.50 62.81 1bw5 n PRO 26 Cb 0.55 -1.72 0.08 0.00 -0.04 0.00 0.00 33.50 32.38 1bw5 n PRO 26 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1bw5 n ARG 27 N 2.34 1.03 -1.93 0.54 3.00 -1.26 -5.14 116.66 115.24 1bw5 n ARG 27 Ca 0.27 -2.04 -0.29 0.00 -0.00 0.00 0.00 57.85 55.79 1bw5 n ARG 27 Cb 0.68 -1.03 0.07 0.00 0.00 0.00 0.00 32.46 32.18 1bw5 n ARG 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1bw5 s PRO 28 N 0.05 2.44 0.00 -0.14 0.04 -1.26 -5.08 135.00 131.06 1bw5 s PRO 28 Ca 0.23 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1bw5 s PRO 28 Cb 0.30 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1bw5 s PRO 28 CO -0.05 -1.28 0.00 -0.25 0.04 0.00 0.00 177.00 175.46 1bw5 n ASP 29 N -3.12 0.00 -0.46 6.66 8.00 -1.26 -4.99 116.55 121.37 1bw5 n ASP 29 Ca 0.07 -0.70 0.41 0.00 0.71 0.00 0.00 54.79 55.28 1bw5 n ASP 29 Cb 0.59 0.00 0.76 0.00 -0.02 0.00 0.00 41.12 42.45 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw5 h ALA 30 N 1.74 3.30 -3.00 2.24 0.00 -1.98 0.38 119.26 121.93 1bw5 h ALA 30 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bw5 h ALA 30 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bw5 h ALA 30 CO 0.00 -1.74 0.00 1.28 0.00 0.00 0.00 179.25 178.79 1bw5 n LEU 31 N -4.16 0.31 0.27 0.00 7.99 -1.26 -3.69 117.00 116.45 1bw5 n LEU 31 Ca 0.33 0.38 0.12 0.00 -0.01 0.00 0.00 56.01 56.83 1bw5 n LEU 31 Cb 1.50 0.00 0.77 0.00 -0.11 0.00 0.00 43.42 45.58 1bw5 n LEU 31 CO 0.40 0.00 1.10 0.24 -1.51 0.00 0.00 177.39 177.62 1bw5 h MET 32 N 0.00 0.00 -0.95 3.23 2.86 -1.92 -3.02 114.93 115.12 1bw5 h MET 32 Ca 0.00 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.91 1bw5 h MET 32 Cb 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.49 1bw5 h MET 32 CO 0.00 0.00 0.12 -0.22 1.06 0.00 0.00 176.91 177.87 1bw5 h LYS 33 N 0.00 0.05 0.81 1.72 3.64 -1.00 0.06 116.57 121.85 1bw5 h LYS 33 Ca 0.01 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1bw5 h LYS 33 Cb 0.05 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1bw5 h LYS 33 CO -0.00 0.03 -0.39 0.93 -2.27 0.00 0.00 179.45 177.75 1bw5 h GLU 34 N 0.05 -1.05 -0.78 1.90 3.07 -1.63 -3.10 114.58 113.04 1bw5 h GLU 34 Ca 0.60 0.07 0.13 0.00 -0.50 0.00 0.00 59.36 59.67 1bw5 h GLU 34 Cb 1.28 0.24 -0.09 0.00 -0.84 0.00 0.00 28.75 29.34 1bw5 h GLU 34 CO -0.84 -0.70 0.36 0.37 -1.40 0.00 0.00 179.01 176.80 1bw5 h GLN 35 N -1.12 0.53 -0.77 2.33 4.15 -1.43 -1.79 115.11 117.01 1bw5 h GLN 35 Ca -0.11 -0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.44 1bw5 h GLN 35 Cb 0.83 -0.12 -0.14 0.00 0.21 0.00 0.00 27.48 28.26 1bw5 h GLN 35 CO 0.18 0.35 -0.14 -0.07 -1.93 0.00 0.00 178.83 177.23 1bw5 h LEU 36 N 0.55 -0.62 -0.27 -2.39 -0.00 -0.96 -0.70 115.31 110.92 1bw5 h LEU 36 Ca 0.41 0.22 0.06 0.00 -0.00 0.00 0.00 57.88 58.57 1bw5 h LEU 36 Cb 0.56 0.45 -0.05 0.00 -0.00 0.00 0.00 40.66 41.61 1bw5 h LEU 36 CO -0.35 -0.24 -0.09 0.58 -0.00 0.00 0.00 178.44 178.34 1bw5 h VAL 37 N 0.02 0.69 -0.87 1.22 2.07 -1.27 -2.41 116.25 115.69 1bw5 h VAL 37 Ca 0.39 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.04 1bw5 h VAL 37 Cb 0.62 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 1bw5 h VAL 37 CO -0.77 0.00 0.48 -0.33 0.02 0.00 0.00 177.57 176.97 1bw5 h GLU 38 N -0.03 0.69 -0.38 1.57 4.39 -1.14 1.03 114.58 120.72 1bw5 h GLU 38 Ca 0.13 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 1bw5 h GLU 38 Cb 0.23 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1bw5 h GLU 38 CO -0.29 0.46 -0.11 0.52 -1.16 0.00 0.00 179.01 178.42 1bw5 h MET 39 N 0.71 0.66 0.00 2.33 2.86 -1.23 -3.20 114.93 117.06 1bw5 h MET 39 Ca 0.46 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1bw5 h MET 39 Cb 0.58 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1bw5 h MET 39 CO -0.32 0.75 -1.43 0.25 1.06 0.00 0.00 176.91 177.22 1bw5 n THR 40 N -4.18 0.03 -0.97 2.22 -2.24 -0.57 -4.94 114.28 103.63 1bw5 n THR 40 Ca 0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1bw5 n THR 40 Cb 0.34 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1bw5 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw5 n GLY 41 N 1.38 0.01 3.94 3.38 0.00 0.35 -4.93 105.19 109.32 1bw5 n GLY 41 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1bw5 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bw5 s LEU 42 N 0.00 2.80 0.63 0.99 2.34 -1.25 -5.04 118.68 119.15 1bw5 s LEU 42 Ca 0.00 0.24 -0.15 0.00 0.06 0.00 0.00 54.13 54.29 1bw5 s LEU 42 Cb 0.00 -2.62 -0.02 0.00 -0.56 0.00 0.00 46.19 42.99 1bw5 s LEU 42 CO 0.00 -2.04 1.06 -0.94 -1.06 0.00 0.00 176.35 173.37 1bw5 s SER 43 N -4.69 5.58 0.34 1.48 1.04 -1.26 -4.90 113.70 111.29 1bw5 s SER 43 Ca 0.66 1.80 0.18 0.00 0.48 0.00 0.00 55.95 59.07 1bw5 s SER 43 Cb -0.07 -2.53 0.51 0.00 0.10 0.00 0.00 66.02 64.03 1bw5 s SER 43 CO 0.48 -1.30 1.65 1.55 0.98 0.00 0.00 173.24 176.59 1bw5 h PRO 44 N 0.12 0.00 -0.25 4.02 0.13 -1.99 -3.29 132.00 130.74 1bw5 h PRO 44 Ca -0.46 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1bw5 h PRO 44 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1bw5 h PRO 44 CO 0.57 0.43 -0.08 -0.09 -0.23 0.00 0.00 178.00 178.60 1bw5 h ARG 45 N 0.00 -0.02 -0.54 0.86 9.65 -2.03 -2.28 114.38 120.02 1bw5 h ARG 45 Ca -0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1bw5 h ARG 45 Cb 1.04 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.60 1bw5 h ARG 45 CO 0.06 -0.01 0.14 0.28 2.80 0.00 0.00 179.97 183.23 1bw5 h VAL 46 N -0.02 1.22 -0.05 0.20 2.07 -1.97 -3.25 116.25 114.45 1bw5 h VAL 46 Ca 0.12 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1bw5 h VAL 46 Cb 0.21 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1bw5 h VAL 46 CO -0.27 0.30 -0.43 0.40 0.02 0.00 0.00 177.57 177.59 1bw5 h ILE 47 N 0.80 0.00 0.11 4.57 1.08 -1.51 0.96 117.51 123.53 1bw5 h ILE 47 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1bw5 h ILE 47 Cb 0.28 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.02 1bw5 h ILE 47 CO -0.00 0.00 -0.20 -0.09 -0.69 0.00 0.00 178.15 177.17 1bw5 h ARG 48 N -0.50 -0.32 -0.11 2.37 1.12 -1.58 -2.76 114.38 112.60 1bw5 h ARG 48 Ca 0.02 0.02 0.03 0.00 -1.11 0.00 0.00 59.98 58.94 1bw5 h ARG 48 Cb 0.56 0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.59 1bw5 h ARG 48 CO -0.32 -0.21 0.11 -0.39 -3.11 0.00 0.00 179.97 176.05 1bw5 h VAL 49 N -0.33 0.57 0.93 0.20 -1.51 -1.60 -3.10 116.25 111.41 1bw5 h VAL 49 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.41 1bw5 h VAL 49 Cb 0.31 0.91 0.01 0.00 -2.13 0.00 0.00 31.29 30.39 1bw5 h VAL 49 CO -0.07 0.00 -0.49 -0.25 -1.23 0.00 0.00 177.57 175.53 1bw5 h TRP 50 N 0.00 -1.27 -0.65 5.19 7.01 -0.49 -1.91 115.95 123.82 1bw5 h TRP 50 Ca 0.05 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.14 1bw5 h TRP 50 Cb 0.28 0.43 -0.09 0.00 -2.10 0.00 0.00 29.16 27.68 1bw5 h TRP 50 CO 0.00 -0.76 0.21 0.74 -2.79 0.00 0.00 178.44 175.83 1bw5 h PHE 51 N -1.30 0.35 0.12 2.65 0.04 -1.57 -1.90 116.94 115.33 1bw5 h PHE 51 Ca -0.13 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1bw5 h PHE 51 Cb 1.01 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 39.09 1bw5 h PHE 51 CO -0.03 0.03 -0.25 0.37 -0.60 0.00 0.00 178.31 177.83 1bw5 h GLN 52 N 0.36 -0.39 -0.43 1.51 5.75 -1.55 -2.95 115.11 117.40 1bw5 h GLN 52 Ca 0.34 0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.96 1bw5 h GLN 52 Cb 0.49 0.09 -0.09 0.00 1.07 0.00 0.00 27.48 29.04 1bw5 h GLN 52 CO -0.38 -0.26 -0.18 -0.91 -2.65 0.00 0.00 178.83 174.46 1bw5 h ASN 53 N -0.41 -0.61 -0.77 -0.69 2.35 -1.10 -1.82 115.58 112.52 1bw5 h ASN 53 Ca -0.01 0.15 0.27 0.00 -0.55 0.00 0.00 56.30 56.16 1bw5 h ASN 53 Cb 0.39 0.35 -0.14 0.00 0.05 0.00 0.00 38.32 38.96 1bw5 h ASN 53 CO -0.10 -0.21 0.21 1.17 -1.65 0.00 0.00 177.43 176.85 1bw5 n LYS 54 N -5.37 -0.05 -0.21 0.81 0.00 -0.73 0.98 118.16 113.58 1bw5 n LYS 54 Ca 0.03 1.12 0.02 0.00 0.00 0.00 0.00 58.31 59.47 1bw5 n LYS 54 Cb 0.28 -1.88 0.13 0.00 0.00 0.00 0.00 35.03 33.56 1bw5 n LYS 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1bw5 h ARG 55 N 0.00 0.27 0.38 1.64 9.65 -1.32 0.80 114.38 125.80 1bw5 h ARG 55 Ca 0.56 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.42 1bw5 h ARG 55 Cb 1.34 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 1bw5 h ARG 55 CO -0.67 0.18 -0.33 0.00 2.80 0.00 0.00 179.97 181.95 1bw5 h LYS 57 N -0.73 0.26 0.00 0.00 1.57 -1.40 -2.94 116.57 113.33 1bw5 h LYS 57 Ca -0.03 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1bw5 h LYS 57 Cb 0.64 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1bw5 h LYS 57 CO -0.03 0.60 0.00 -3.47 -0.57 0.00 0.00 179.45 175.97 1bw5 n ASP 58 N -4.06 0.00 0.42 0.86 -0.08 0.27 -3.23 116.55 110.74 1bw5 n ASP 58 Ca -0.01 0.01 -0.17 0.00 -1.51 0.00 0.00 54.79 53.11 1bw5 n ASP 58 Cb 0.45 -0.14 -0.08 0.00 2.34 0.00 0.00 41.12 43.70 1bw5 n ASP 58 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1bw5 h LYS 59 N 0.00 -1.04 -6.74 -0.67 3.64 -1.47 -3.35 116.57 106.93 1bw5 h LYS 59 Ca 0.00 0.07 -0.48 0.00 -1.27 0.00 0.00 60.65 58.97 1bw5 h LYS 59 Cb 0.02 0.24 0.23 0.00 -0.41 0.00 0.00 32.23 32.31 1bw5 h LYS 59 CO 0.00 -0.69 -0.87 1.63 -2.27 0.00 0.00 179.45 177.24 1bw5 n LYS 60 N -5.49 -1.28 0.00 1.90 5.02 -1.20 -3.54 118.16 113.57 1bw5 n LYS 60 Ca -0.13 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 1bw5 n LYS 60 Cb 0.43 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1bw5 n ARG 61 N -2.14 0.00 -1.55 1.97 3.00 -1.26 -4.88 116.66 111.80 1bw5 n ARG 61 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.91 1bw5 n ARG 61 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.03 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 0.83 -8.05 -2.46 0.55 2.88 -1.23 -3.88 113.62 102.25 1bw5 n SER 62 Ca 0.00 1.73 -0.07 0.00 -1.33 0.00 0.00 58.87 59.19 1bw5 n SER 62 Cb 0.00 -5.01 -0.00 0.00 -0.75 0.00 0.00 64.21 58.44 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 -3.04 -0.35 -3.86 2.46 2.08 -1.26 0.13 119.36 115.53 1bw5 n ILE 63 Ca -0.02 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.00 1bw5 n ILE 63 Cb 0.52 -1.05 0.04 0.00 -0.75 0.00 0.00 39.64 38.39 1bw5 n ILE 63 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 1bw5 n MET 64 N -2.68 -5.99 -3.06 0.38 2.81 -1.26 -3.67 117.12 103.65 1bw5 n MET 64 Ca -0.09 0.64 -0.00 0.00 -1.81 0.00 0.00 57.70 56.44 1bw5 n MET 64 Cb 0.57 -5.56 -0.00 0.00 -0.71 0.00 0.00 33.22 27.51 1bw5 n MET 64 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1bw5 n MET 65 N -4.74 -1.14 0.00 0.03 1.56 0.12 -5.15 117.12 107.79 1bw5 n MET 65 Ca 0.03 1.31 0.08 0.00 -0.27 0.00 0.00 57.70 58.86 1bw5 n MET 65 Cb 0.53 -2.12 0.50 0.00 2.15 0.00 0.00 33.22 34.29 1bw5 n MET 65 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41